chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL8896
|
[C][=C][C][S][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL8898
|
[C][C][Branch1][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O].[Br-1].[Br-1]
|
CHEMBL8903
|
[O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl]
|
CHEMBL8825
|
[O][=C][Branch1][C][O][C][C][C][C][C][N][C][=Branch1][C][=O][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL8921
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][N]
|
CHEMBL8922
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][S]
|
CHEMBL8943
|
[O][=C][Branch2][Ring2][Ring2][C][C@@H1][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=Branch2][O][N][O]
|
CHEMBL8944
|
[C][C][C][N][C][C][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][C][C][Ring2][Ring1][Branch1]
|
CHEMBL8946
|
[C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][Ring2][O]
|
CHEMBL8947
|
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL8948
|
[C][N][N][=N][N][=C][Ring1][Branch1][C][Branch2][Ring1][C][C][C][C][Branch1][C][O][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O-1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1].[Na+1]
|
CHEMBL8965
|
[C][C][C@H1][O][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@@H1][Branch1][Ring2][C][C][=O][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C@][Branch1][C][C][O][C@H1][Ring1][Ring2][C@@H1][Ring2][Ring2][=Branch1][C]
|
CHEMBL8966
|
[C][C][O][C][=Branch1][C][=O][C][N][=C][C][Branch1][C][N][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][N][N][=Ring1][#C]
|
CHEMBL8967
|
[C][C][O][C][=Branch1][C][=O][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]
|
CHEMBL8968
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O]
|
CHEMBL8972
|
[C][=C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL9124
|
[C][C][C][C][C][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][C][Ring2][Ring1][Branch1]
|
CHEMBL8991
|
[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL8992
|
[O][=C][Branch1][C][O][C][=N][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][Ring1][=C]
|
CHEMBL8995
|
[O][=C][Branch1][C][O][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][#C]
|
CHEMBL8923
|
[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][N][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL9012
|
[C][O][C][=C][C][=C][Branch2][Ring2][N][C@@H1][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][N][Ring1][P][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#C]
|
CHEMBL14758
|
[C][C][=C][C@H1][C][=Branch1][C][=O][O][C@H1][C][C@@H1][Branch2][Ring2][Ring2][C][/C][=C][Branch1][C][\C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][/C][=C][/C][=C][\C][O][C@H1][Branch1][=Branch1][C@@H1][Ring2][Ring1][=Branch2][O][C@@][Ring1][#Branch1][Ring2][Ring1][=Branch2][O][O][C@@][Branch2][Ring1][C][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][O][Ring1][#Branch2][C][Ring2][Ring2][C]
|
CHEMBL9035
|
[C][O][C][=C][C][Branch2][Ring1][#C][C@@H1][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][N][C@@H1][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][Ring1][=C][O][C][O][Ring1][=C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C]
|
CHEMBL4553547
|
[C][O][C][C][N][C][C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][S]
|
CHEMBL4553548
|
[O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][/C][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Ring1][=Branch2][=N][Ring1][=N]
|
CHEMBL4553549
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL4553550
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=S][S][C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C]
|
CHEMBL4553551
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][N][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=O][C][=C][Ring2][Ring1][S]
|
CHEMBL9037
|
[C][O][C][=Branch1][C][=O][C][=N][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Ring1][N][C][Ring1][#C]
|
CHEMBL9038
|
[N][C][Branch1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL9039
|
[O][=C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][Ring1][=C]
|
CHEMBL8760
|
[C][=C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][=O]
|
CHEMBL17936
|
[C][C][Branch1][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][Branch1][C][N][=O]
|
CHEMBL9125
|
[C][N][C][C][C][Branch2][Ring2][Ring2][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][C][Ring2][Ring1][Ring2][=Ring1][=C][C][=Branch1][C][=O][C][Ring2][Ring1][O]
|
CHEMBL9126
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL9127
|
[C][C][O][N][=C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][S][Ring2][Ring1][=N]
|
CHEMBL9128
|
[C][C][O][C][=Branch1][C][=O][C][N][=C][C][Branch1][C][O][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][N][N][=Ring1][#C]
|
CHEMBL8781
|
[C][C@@][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring1][=N][=O][C][C][C][=Branch1][C][=O][N][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL9084
|
[C][O][C][=C][C][=C][Branch2][Ring2][P][C@@H1][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][N][Ring1][P][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][C]
|
CHEMBL9085
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL9086
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][#C][C][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][O][C][=Branch1][C][=O][N][C@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=Branch2][O][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL9014
|
[C][C][#C][C][C][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL9015
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL9016
|
[C][C][C][C][/C][=C][Branch1][C][/C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2]
|
CHEMBL9017
|
[C][N+1][Branch1][C][C][Branch2][Ring2][N][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][=C][=O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][=C][=O].[Br-1].[Br-1]
|
CHEMBL8761
|
[C][C][C][C][C@@H1][Branch2][Branch1][O][C][C@@H1][Branch2][Ring1][S][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL463
|
[N][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N]
|
CHEMBL8762
|
[C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1][C][C][C][C][C][C][C][=C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring2][Ring1][Ring1][Ring1][S][C]
|
CHEMBL8763
|
[C][N+1][Branch1][C][C][Branch2][Ring2][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O].[Br-1].[Br-1]
|
CHEMBL8764
|
[C][N+1][Branch1][C][C][Branch2][Branch1][Branch1][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Ring1][S][C][Ring2][Ring1][Ring2][=O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O].[Br-1].[Br-1]
|
CHEMBL8765
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch2][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][O][C][=Branch1][C][=O][O]
|
CHEMBL8782
|
[C][O][C][C][O][C][C][O][C][C][N][C][C][C][C][Ring1][Branch1][C][O][C][C][O][C][C][O][C]
|
CHEMBL8783
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][Ring1]
|
CHEMBL8784
|
[O][=C][Branch1][O][C][C][C][C][C][C][C][C][C][Br][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL8785
|
[C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL8786
|
[O][=C][Branch1][C][O][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]
|
CHEMBL8879
|
[O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][Branch1][C][Br][=C][Branch1][C][Br][S][Ring1][#Branch1]
|
CHEMBL9087
|
[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][Branch1][C][F][Branch1][C][F][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL57
|
[C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][N][C][C][C][Ring1][Ring1]
|
CHEMBL8806
|
[C][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL8807
|
[C][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch2][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][O][C][=Branch1][C][=O][O]
|
CHEMBL8809
|
[C][C][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][O][C]
|
CHEMBL9109
|
[C][O][C][=Branch1][C][=O][C][Branch2][Ring2][#C][N][P][=Branch1][C][=O][Branch2][Ring1][=C][O][C][C][O][C][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C][Ring1][=C][N][=N+1][=N-1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C]
|
CHEMBL9110
|
[O][=C][Branch2][Ring2][=N][N][C][=C][C][=C][Branch2][Ring1][S][C][C@H1][Branch2][Ring1][=Branch1][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch2][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL8827
|
[C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C]
|
CHEMBL8828
|
[C][C][C][C][C@@H1][Branch2][Branch1][Ring1][C][C@@H1][Branch2][Ring1][Branch2][C][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL8851
|
[C][C][=Branch1][C][=O][O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][N][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=N][S][C][Ring2][Ring2][Ring2]
|
CHEMBL8853
|
[C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL8854
|
[C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][C][Ring2][Ring1][=Branch1]
|
CHEMBL8855
|
[C][N+1][Branch1][C][C][Branch2][Ring2][Branch2][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][Ring1][N][=O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][Ring1][N][=O].[Br-1].[Br-1]
|
CHEMBL8856
|
[C][C][C@H1][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@@H1][Branch1][S][C][C][N][C][C][Branch1][C][O][C][C][C][C][Ring1][#Branch1][O][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][C][=C][/C@@H1][Ring2][Ring2][=N][C]
|
CHEMBL8858
|
[C][C][N][C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][S][Ring2][Ring2][=Branch1][=Branch1][C][=O][=O][O][C][C][O][Ring1][O]
|
CHEMBL8880
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Ring1]
|
CHEMBL8883
|
[C][C][=C][C][=C][C][Branch1][C][Cl][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][S][C][Ring1][P][=C][Ring2][Ring1][Branch1]
|
CHEMBL8973
|
[C][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][Ring1][#C][O][C@@H1][C][C@@H1][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring2][Branch2]
|
CHEMBL1163254
|
[C][C][C@H1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring1][=Branch1][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][N][Ring2][Ring1][Ring2]
|
CHEMBL8810
|
[C][C][C][C][N][C][=Branch1][C][=O][NH1][C][NH1][C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][=N][C][=Ring2][Ring1][Branch2][C][Ring2][Ring1][=N][=O]
|
CHEMBL8905
|
[C][C][=C][C][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][N]
|
CHEMBL8906
|
[C][C][C][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C@@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring1][=C][C][=Branch1][C][=O][O]
|
CHEMBL8907
|
[C][C][O][C][=Branch1][C][=O][C][N][=C][C][Branch1][C][O][=N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][N][Ring1][#C][N][=Ring2][Ring1][C]
|
CHEMBL8908
|
[C][O][C][C][O][C][C][O][C][C][C][C][C][N][Ring1][Branch1][C]
|
CHEMBL8829
|
[O][=C][C][C][=C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][N][=C][Branch1][C][O][N][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][S][Ring1][Branch2][C][=Ring2][Ring1][#Branch1]
|
CHEMBL8830
|
[O][=C][Branch1][O][C][C][C][C][C][C][C][C][C][O][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL8831
|
[C][=C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][=C][C][Ring1][S][Ring1][N]
|
CHEMBL8925
|
[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL8926
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][O][/C][=C][/C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C][O]
|
CHEMBL8949
|
[O][=C][Branch2][Ring1][#Branch1][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL8950
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][#C][N][/C][Branch1][C][S][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S]
|
CHEMBL8951
|
[C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL8952
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][#C]
|
CHEMBL8953
|
[C][O][C][=C][C][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C]
|
CHEMBL438554
|
[C][O][C][=Branch1][C][=O][C@@H1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][=C][C][Branch2][Ring2][#Branch1][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=Branch1][Cl][=C][Branch1][C][O][C][=Branch1][Branch1][=C][Ring2][Ring1][#C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C][Ring2][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][Ring2][Branch1][S][C][=C][Branch1][C][O][C][Branch2][Ring1][Branch1][C][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][O]
|
CHEMBL8974
|
[C][=C][=C][Branch1][Ring1][C][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL8976
|
[C][C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL1163255
|
[C][C][C][C][C@@H1][N][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][C]
|
CHEMBL1163251
|
[O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring2][C]
|
CHEMBL3309262
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch2][#Branch1][O][C][N][C][C][N][Branch2][=Branch1][=C][C][=C][C][=C][Branch2][=Branch1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#C][C][=C][Ring2][Ring2][O][C][C][Ring2][Ring2][P][=C][Ring2][Branch1][#C]
|
CHEMBL8910
|
[O][=C][Branch1][C][O][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]
|
CHEMBL8996
|
[O][=C][C][C@@H1][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][Ring2][Ring1][Ring2]
|
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