chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL1163273
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][N][/C][=C][\S][C][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=N][=O][=C][Ring2][Ring1][Branch1]
|
CHEMBL3309499
|
[C][C][C][=C][Branch2][Ring1][Branch1][O][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][N][=Ring2][Ring1][Ring1]
|
CHEMBL9442
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][N]
|
CHEMBL9443
|
[C][O][C][=C][C][=N][C][Branch2][Ring1][O][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][NH1][Ring1][=N][=C][Ring2][Ring1][=Branch1][C]
|
CHEMBL9444
|
[O][=C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL9445
|
[C][O][C@H1][C][C][C@H1][Branch1][Ring1][O][O][C@@H1][Branch1][C][C][O][Ring1][=Branch2]
|
CHEMBL9447
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]
|
CHEMBL9179
|
[O][=C][/C][=Branch1][#Branch2][=C][\C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1]
|
CHEMBL1163267
|
[C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch2][Ring2][#Branch2][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@@H1][Branch1][#Branch1][C@H1][Branch1][C][O][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Ring2][Ring1][Branch1][O][C][C@][Branch2][Branch1][Ring2][O][C@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@@H1][Branch2][Ring1][#C][O][C@@H1][C@@H1][Branch1][Ring1][C][O][O][C@@H1][Branch1][N][O][C][C][Si][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Ring1][S][O][C@@H1][Ring2][Ring1][O][O][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@@H1][Ring2][Branch1][=N][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O]
|
CHEMBL9379
|
[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][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL9380
|
[C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][P][C][S][C][C][N][C][=N][S+1][Branch1][C][O-1][N][=C][Ring1][=Branch1][N][S][Ring1][P]
|
CHEMBL9463
|
[C][N][Branch2][Branch1][C][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][Branch1][C][N][N][N][C][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][C][C][C][C][Ring1][Branch1]
|
CHEMBL9464
|
[O][=C][C][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][Ring1][=N][C][Branch1][C][O][=C][C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][Ring1][S][=Ring1][O]
|
CHEMBL4553665
|
[N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4553666
|
[C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring2][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][#C]
|
CHEMBL4553667
|
[C][C][Branch1][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][N][Branch2][Ring2][=C][C][C@@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=N][N][=N][Ring2][Ring2][Ring2].[Cl].[Cl]
|
CHEMBL4553668
|
[O][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=N][N][Ring1][Branch2][C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4553669
|
[O][=C][Branch1][Ring1][C][F][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][=C][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL4553670
|
[C][=C][Branch1][C][Br][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch1]
|
CHEMBL4553671
|
[N][C][=Branch1][C][=O][N][C][C][NH1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][P][C][=Branch1][C][=O][C][=Ring2][Ring1][=Branch1][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL9134
|
[C][O][C][=C][C][Branch2][Ring2][C][C@@H1][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][C][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]
|
CHEMBL9136
|
[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][O][C][C][N][C][C][N][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][C][=C][/C@@H1][Ring2][Ring2][#Branch2][C]
|
CHEMBL9138
|
[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][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL9139
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][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]
|
CHEMBL3309415
|
[C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL9483
|
[C][C][C][C][C][C][C][=C][C][Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O]
|
CHEMBL4553683
|
[C][S][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][N][C][=C][Ring1][Branch2]
|
CHEMBL4553684
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2]
|
CHEMBL4553685
|
[C][C][C][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][P][N][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][O][N][Branch1][C][C][C][C][N][Branch1][C][C][C]
|
CHEMBL4553686
|
[C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][\C][C][C@@][Branch1][C][C][O][C@@H1][Ring2][Ring1][O][Ring1][Ring2]
|
CHEMBL4553687
|
[O][=C][Branch2][Ring2][=Branch2][O][C][C][C][N][Branch2][Ring1][N][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
|
CHEMBL4553688
|
[C][O][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][Branch1][=C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][#C][N][=C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=N].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL4553689
|
[C][C][=C][\C@@H1][Branch1][C][O][C][C@H1][Branch1][C][F][C][C][=N][C][=Branch1][Branch1][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C@H1][Branch1][C][C][/C][=C][/C][=Branch1][C][=O][N][C][\C][=C][-\Ring2][Ring2][Branch1]
|
CHEMBL4553690
|
[C][C][N][Branch1][Ring1][C][C][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][C][Ring1][N][=C][Ring1][S]
|
CHEMBL9484
|
[C][C][C][C][C][C][C][N+1][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL9154
|
[O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL9157
|
[C][O][C][=C][C][=C][Branch1][=C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][C][=C][Ring1][=N][O][C]
|
CHEMBL9181
|
[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][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL9183
|
[C][O][C][C][O][C][C][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]
|
CHEMBL9184
|
[C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL9185
|
[C][=C][C][Branch2][Ring1][#C][N][C][C][C][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O][C][C][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][Branch2][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL9275
|
[C][C][N][C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][C][C][C][C][Ring1][=Branch1][Ring1][S]
|
CHEMBL9277
|
[O][=C][N][C][=Branch1][C][=O][/C][=Branch2][=Branch1][N][=C][/C][=C][C][=C][Branch2][Branch1][#C][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Branch2][Ring1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring2][Ring1][Ring1][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][=C][Ring2][Ring2][=C][S][Ring2][Branch1][Branch1]
|
CHEMBL9465
|
[C][C][=C][C][=C][C][Branch2][Ring2][Ring2][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][C][N][=C][Ring1][#Branch1][=C][Ring2][Ring1][=N]
|
CHEMBL9466
|
[C][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]
|
CHEMBL9467
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][C][Ring1][=Branch1]
|
CHEMBL9203
|
[C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][N][C][Branch2][Ring1][#Branch1][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring1][#C]
|
CHEMBL9228
|
[C][C][C][C][N][Branch1][Branch1][C][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]
|
CHEMBL9159
|
[C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][N][=C][Branch1][C][O][N][Ring1][#C][N][=Ring2][Ring1][C]
|
CHEMBL9250
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][O][C][C][N][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][O][C][C][Ring1][P]
|
CHEMBL9252
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Branch1][#Branch1][C][C][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][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring2][Branch1]
|
CHEMBL9253
|
[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][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][#C]
|
CHEMBL9254
|
[C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][Ring1]
|
CHEMBL3309500
|
[C][C][O][C][=N][C][=C][C][=C][Branch2][Ring1][C][O][C][C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][=Branch1]
|
CHEMBL9278
|
[C][C][=C][C][=N][C][Branch2][Ring2][N][N][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=C][Ring2][Ring1][P]
|
CHEMBL9280
|
[C][O][C][=Branch1][C][=O][C][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]
|
CHEMBL9281
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][=C][Branch1][C][O][N][Ring1][=N][N][=Ring1][S]
|
CHEMBL478
|
[Cl][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][Ring1][N]
|
CHEMBL9357
|
[C][O][C][=C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][N][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C][C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][N][Ring2][Ring1][Branch2]
|
CHEMBL4559937
|
[C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=N][Ring1][#C]
|
CHEMBL4559938
|
[C][=C][C@H1][C][C@][Branch1][N][C@@H1][Ring1][Branch1][O][C][=Branch1][C][=O][C][O][C][C@H1][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][=Branch2][O][C][=Branch1][C][=O][C][O][C][C@@][Ring1][=N][Branch1][N][C@H1][Ring1][S][N][Branch1][Ring1][C][C][C][Ring1][P][C@@H1][Ring2][Ring1][=N][C][C][Ring2][Ring1][P][=O]
|
CHEMBL4559939
|
[C][C][Branch1][C][C][Branch1][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][N][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2]
|
CHEMBL9204
|
[O][=C][C][C@H1][O][/C][=Branch1][Ring2][=C][\C][O][C@H1][Branch1][Ring1][C][O][N][Ring1][N][Ring1][#Branch2]
|
CHEMBL9205
|
[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][N][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL9206
|
[C][O][C][=C][C][Branch1][Ring1][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][Ring2][Ring1][=Branch2]
|
CHEMBL9295
|
[C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=C][O][P][=Branch1][C][=O][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][=C][Ring1][N][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=C][Ring2][Ring2][C].[Cl]
|
CHEMBL9296
|
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][#N]
|
CHEMBL9317
|
[O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL9318
|
[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][Ring1][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][Branch2]
|
CHEMBL9319
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][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]
|
CHEMBL9320
|
[C][=C][C][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]
|
CHEMBL3309416
|
[C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL9255
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][C]
|
CHEMBL9256
|
[O][=C][Branch1][C][O][C][O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL9337
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C][C][C][C][O]
|
CHEMBL9338
|
[C][C][C][C][C][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]
|
CHEMBL9339
|
[O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring2][Branch2][C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL9359
|
[O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL4553135
|
[O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][C][C][N][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
|
CHEMBL4553136
|
[C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Branch1][S][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Branch1][C][C][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][=C][N][=C][Ring2][Ring1][Branch1][Ring2][Ring2][C][C][Ring2][Ring2][Branch2]
|
CHEMBL4553137
|
[C][C][=C][C][=C][C][Branch2][Ring2][P][O][C][=N][C][=C][N][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][N][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][P][C]
|
CHEMBL4553138
|
[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][C][=Branch1][C][=O][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][NH1][C][Ring1][S][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL4553139
|
[C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL9362
|
[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][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL9298
|
[N][#C][C][=C][C][=C][Branch1][=C][C][C][C][C][C][=C][N][=C][N][Ring1][Branch1][Ring1][=Branch2][C][=C][Ring1][#C]
|
CHEMBL9299
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL1163272
|
[C][N][Branch1][C][C][C@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][Branch1][O][O][C@][C][=C][C][=C][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][Cl][C@@H1][Branch1][C][O][C][O][C][=Branch1][C][=O][C][C@H1][Branch1][C][N][C][=C][C][Branch1][C][O][=C][Branch1][Branch2][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C@H1][Ring2][Ring1][=Branch2][Ring2][Ring1][#C][O][C][Ring2][Ring2][Branch2][Branch1][C][C][C]
|
CHEMBL9381
|
[C][C][C][C][O][C][C][=C][Branch2][Ring1][Ring1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][N][Branch1][C][C][N][Ring2][Ring1][Ring2][C]
|
CHEMBL9382
|
[O][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL9792
|
[C][C][C][C][C][C][C][C][/C][=C][/C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][O][Ring1][=C]
|
CHEMBL9794
|
[C][C][N][Branch2][Ring1][O][C][=N][C][Branch1][C][C][=C][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=N][Ring1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
|
CHEMBL9795
|
[C][C][N][Branch2][Ring1][#Branch1][C][=N][C][Branch1][C][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
|
CHEMBL9796
|
[O][=P][Branch1][C][O][Branch1][C][O][C][C][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=N][N][=N][NH1][Ring1][Branch1]
|
CHEMBL9815
|
[C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P]
|
CHEMBL9816
|
[C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]
|
CHEMBL9817
|
[C][C][C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][C][=N][N][Ring1][N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][S][Ring1][#C]
|
CHEMBL9893
|
[C][C][S][C][=C][C][=N][C][Branch2][Ring1][=N][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch2][C]
|
CHEMBL9894
|
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
CHEMBL9499
|
[C][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]
|
CHEMBL9500
|
[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][Ring1][=Branch1][NH1][Ring1][=Branch2]
|
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