chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL6803
|
[C][C][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][C][=Ring1][#C][C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][/C][=Branch1][=C][=C][/C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1]
|
CHEMBL6804
|
[C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O]
|
CHEMBL6890
|
[C][C][C][=N][N][=C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P][Ring1][=C]
|
CHEMBL6891
|
[C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL3310238
|
[C][C][=N][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][O]
|
CHEMBL3310244
|
[C][C][C@H1][Branch1][C][C][N][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl]
|
CHEMBL1163150
|
[C][C][Branch1][C][C][C@H1][Branch2][Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL6912
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=N]
|
CHEMBL6913
|
[C][C][Branch1][C][C][N][C@@H1][C][C][C][=C][Branch1][O][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C@H1][Ring1][N][O]
|
CHEMBL3310354
|
[O][=C][Branch1][C][O][/C][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][/N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=C][S][Ring1][P]
|
CHEMBL6849
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=Branch1][C][=O][O][=C][C][=C][Ring2][Ring1][Branch1][Cl]
|
CHEMBL6932
|
[C][C][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][C][=Ring1][#C][C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][Branch1][C][C][C][C][Ring1][Ring2][C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][=C][Ring2][Ring1][C]
|
CHEMBL6933
|
[N][C][=N][C][=N][C][=C][C][=C][Branch1][S][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][Ring1][P]
|
CHEMBL6935
|
[C][C][Branch1][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
CHEMBL6936
|
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N]
|
CHEMBL3310047
|
[C][S][C][N][=C][N][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][N][=Ring1][=C]
|
CHEMBL6965
|
[C][O][C][=C][C][=C][C][=C][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=Ring1][Branch2][C][Ring1][N][=C][Ring1][S][O][C]
|
CHEMBL6967
|
[N][C][=N][C][Branch1][C][O][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][Branch2]
|
CHEMBL7051
|
[C][C][/C][=Branch2][Ring2][=N][=C][\C][=C][C][=C][C][Branch2][Ring1][S][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][=C][Ring2][Ring1][Branch2][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O]
|
CHEMBL30
|
[C][N][/C][=Branch1][=C][=N][/C][C][S][C][C][N][=C][NH1][C][=Ring1][Branch1][C][N][C][#N]
|
CHEMBL7052
|
[O][C][=C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][=N]
|
CHEMBL3310138
|
[N][C][O][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][C][=N][C][=N][Ring1][=Branch1]
|
CHEMBL6893
|
[C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL32
|
[C][O][C][=C][Branch1][=C][N][C][C@@H1][C][C][C][N][C@@H1][Ring1][=Branch1][C][Ring1][=Branch2][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][O][=Ring1][=N]
|
CHEMBL6630
|
[C][N][Branch1][C][C][C][=C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][P]
|
CHEMBL6631
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=N][Ring1][N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL3310246
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C@@H1][Branch1][C][C][N][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1].[Cl]
|
CHEMBL3310252
|
[O][=C][Branch1][C][O][C][C][=C][S][C][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][O][=N][Ring1][N]
|
CHEMBL6914
|
[C][/C][=Branch2][Ring2][=N][=C][\C][=C][C][=C][C][Branch2][Ring1][S][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][=C][Ring2][Ring1][Branch2][C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O]
|
CHEMBL6915
|
[C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL12
|
[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1]
|
CHEMBL6650
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][P]
|
CHEMBL6651
|
[O][=C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][#Branch2][O][C][C][O][Ring1][Branch1]
|
CHEMBL3310357
|
[O][=C][Branch1][C][O][/C][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][/N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][=C][S][Ring1][P]
|
CHEMBL6937
|
[C][O][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][P]
|
CHEMBL6672
|
[C][O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][C][=Branch1][C][=O][O]
|
CHEMBL6673
|
[C][/C][Branch1][=N][C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][=C][Branch1][C][\C][C][=C][C][=C][C][Branch2][Ring1][S][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL7053
|
[C][C][C@H1][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][O][N][=C][Ring1][O][C][=C][Ring1][#C][N][C@@H1][Ring2][Ring1][Ring1][C]
|
CHEMBL7054
|
[C][C@][Branch1][C][O][Branch1][Ring1][C][O][C][=C][C][=C][C][=Branch1][=Branch2][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C@@H1][C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@@H1][Ring1][O][O][Ring2][Ring1][C]
|
CHEMBL7055
|
[N][#C][C][=C][C][=C][N][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=N][C][Ring1][N][=C][Ring1][S]
|
CHEMBL7148
|
[C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][/C][=Branch1][=N][=N][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring2][Ring1][C]
|
CHEMBL7149
|
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][C][C][Ring1][P]
|
CHEMBL3310140
|
[O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][O][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][C][=N][C][=N][Ring1][=Branch1]
|
CHEMBL6632
|
[C][#C][C][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][O][N][=C][Branch1][C][C][N][=C][Ring1][Branch2][C][=C][Ring1][N][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][P]
|
CHEMBL6633
|
[N][C][=N][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][Ring1][P]
|
CHEMBL1163134
|
[C][C@][C][C][C@H1][C@@H1][Branch2][Ring1][O][C][C@H1][Branch1][Ring2][C][C][O][C@H1][C][/C][=Branch1][=Branch1][=N][/O][C][C][N][C][C][C@][Ring2][Ring1][C][Ring1][O][C][C@@H1][Ring2][Ring1][#Branch1][C][C][C][Ring2][Ring1][#Branch2][=O].[Cl]
|
CHEMBL6715
|
[C][#C][C][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][O][N][=C][Branch1][C][C][N][=C][Ring1][Branch2][C][=C][Ring1][N][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][C][F][=C][Ring1][P]
|
CHEMBL6716
|
[C][C][Branch1][C][C][C][C@H1][Branch2][=Branch1][=N][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][C][C][N][=C][Branch1][C][N][N][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL6717
|
[C][O][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][N][=C][Ring1][Branch2]
|
CHEMBL3310258
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][C][C][C@@H1][C][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C@H1][Ring1][=Branch2][Ring1][=N][O][C][O][Ring1][Branch2]
|
CHEMBL6652
|
[O][=C][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring1][N][O][C][C][O][Ring1][Branch1]
|
CHEMBL6653
|
[N][C][=N][C][Branch1][C][N][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][=Branch2]
|
CHEMBL6654
|
[C][C][C][N][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=Ring1][O][C][=C][Ring1][#C][C][C][Ring2][Ring1][Ring1][C]
|
CHEMBL6737
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#Branch1][C][C@@H1][Branch1][C][C][N][=C][Ring1][N]
|
CHEMBL20
|
[C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][S][Ring1][=Branch2]
|
CHEMBL3310365
|
[C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][=C][=C][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][N][=O][C][=Branch1][C][=O][C][=C][Branch1][Branch1][C][Ring1][=C][=O][C][C][C][C][Ring1][Branch2][C][Ring1][Branch1]
|
CHEMBL6762
|
[C][C][=C][C][=C][Branch2][Ring2][C][S][C][=C][N][=C][C][S][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Ring2][Ring1][Branch1][=Ring1][P][C][=C][Ring2][Ring1][N]
|
CHEMBL6765
|
[C][/C][=Branch1][=C][=C][\C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL3310051
|
[O][=C][C][=C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=C][C][=C][Ring1][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring2][Ring1][Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL7152
|
[C][C][C][C][/C][=Branch1][=C][=C][\C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=N]
|
CHEMBL7153
|
[N][C][=N][C][Branch1][C][S][=N][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1]
|
CHEMBL7154
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL7245
|
[C][C][C][C][/C][=Branch1][=C][=C][\C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][Branch2][Ring1][S][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL7246
|
[N][#C][C][=C][C][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=C][Ring1][N]
|
CHEMBL3310152
|
[N][C][N][=C][C][=C][Branch1][Branch1][N][C][C][O][C][=C][Branch1][C][F][C][=C][Ring1][O][N][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring2][Ring1][=Branch2][N][=Ring2][Ring1][N]
|
CHEMBL6718
|
[C][C][/C][=Branch2][Ring2][Branch2][=C][Branch1][N][\C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][#C][O][C][C][C][C][C][C][C][C][N][Branch1][C][C][C][C][=C][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL6805
|
[C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][C][Branch1][C][Cl][=C][Ring1][=C][C][Branch1][C][N][=O]
|
CHEMBL6807
|
[C][=C][Branch1][C][Br][C][O][C][=N][O][C][=C][Ring1][Branch1][C][N][C][C][Ring1][=Branch1].[Cl]
|
CHEMBL6808
|
[C][C][C][C][N][=C][Branch1][C][N][C][Ring1][#Branch1]
|
CHEMBL6809
|
[O][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL6740
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL6741
|
[C][C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL6829
|
[C][#C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Branch1][C][C][N][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S]
|
CHEMBL6830
|
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][C][=C][N][=C][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][Ring1][N][=Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL6831
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][#Branch2][C][=N][C][Branch1][C][N][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][Ring1][#Branch2][=N][Ring1][#C][C][Ring2][Ring1][Branch1]
|
CHEMBL3309962
|
[O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][N][C][=C][C][=C][Branch1][#C][O][C][=C][C][=N][C][C][=C][S][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][C][F][=C][Ring1][P][C][=Ring2][Ring1][Branch2]
|
CHEMBL6850
|
[C][#C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Branch1][C][C][N][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL6851
|
[C][=C][C@@H1][Branch1][S][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@][Branch1][C][C][C@@H1][Ring2][Ring1][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][C][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][#Branch2][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][C][O][C][Ring1][N][Branch1][C][C][C]
|
CHEMBL6852
|
[N][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][#Branch2]
|
CHEMBL6853
|
[N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][F]
|
CHEMBL6854
|
[C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F]
|
CHEMBL3310066
|
[C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL7247
|
[N][C][=N][C][Branch1][C][O][=C][N][=C][N][Branch2][Ring1][Branch2][C][C][C][C][C][C][C][P][=Branch1][C][=O][Branch1][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][=Branch2]
|
CHEMBL7248
|
[C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][/C][=Branch1][=N][=N][/C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=Ring2][Ring1][C]
|
CHEMBL7249
|
[C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
CHEMBL6968
|
[C][C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][O][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2][O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL6969
|
[O][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2]
|
CHEMBL3310158
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][=C][C][C][=N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][N][Ring1][=N][C][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL6894
|
[C][C][=C][Branch2][Ring1][C][N][C][C][C@@H1][Branch1][=Branch2][C][Branch1][C][N][C][C][Ring1][Ring2][C][Ring1][=Branch2][C][Branch1][C][F][=C][Branch1][C][N][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][#Branch1][C@@H1][C][C@@H1][Ring1][Ring1][F][C][Ring2][Ring1][=N][=Ring1][=C]
|
CHEMBL6895
|
[C][=C][C@H1][Branch1][Branch1][C][C][C][C][C@H1][Ring1][#Branch1][C][C][Branch1][C][N][=O]
|
CHEMBL13
|
[C][O][C][C][C][=C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][=C][Ring1][#C]
|
CHEMBL6896
|
[C][C][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][P]
|
CHEMBL6897
|
[N][C][=N][C][Branch1][C][O][=C][C][Branch1][S][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][=C][C][Ring1][P][=N][Ring2][Ring1][=Branch1]
|
CHEMBL6832
|
[F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][N][=C][Ring1][O][Ring1][=C]
|
CHEMBL6833
|
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL6916
|
[C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=C][N][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][O][C][C][Ring1][P]
|
CHEMBL6918
|
[C][=C][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][N][C][C][Branch1][Branch2][C][N][C][Branch1][C][C][=O][O][C][Ring1][#Branch2][=O][C][=C][Ring1][P][C][=C][C][Ring2][Ring1][Branch2][=O]
|
CHEMBL6919
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2]
|
CHEMBL6920
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C]
|
CHEMBL431
|
[C][C][O][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][S][C][C][S][Ring1][#Branch2]
|
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