chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL4543527
|
[C][C][N][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL4543528
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][NH1][N][=C][Ring1][=Branch2][Ring1][Branch1][C][=C][Ring2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4543529
|
[C][C][C][C][C][C][C][C][=Branch1][C][=O][/N][=C][\C][=C][C][=Branch2][Ring1][=C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][O][Ring1][#Branch1][O][C][O][Ring2][Ring1][=Branch1]
|
CHEMBL4543530
|
[C][C][=C][C][=C][C][Branch1][C][N][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][F][=C][Branch1][=N][N][C][C@@H1][C][C][N][C@@H1][Ring1][Branch1][C][Ring1][Branch2][C][=C][Ring1][#C][F][S][C][Ring2][Ring1][O][=N][Ring2][Ring1][#C].[Cl]
|
CHEMBL4543531
|
[C][C@][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][C][C@@H1][Branch2][Branch1][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][C][N][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][S][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N][O][Ring2][Ring2][O]
|
CHEMBL4543532
|
[C][C][O][C][=N][C][Branch1][Ring1][C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][S][C][C][Branch1][C][C][C][N][Ring1][P][C][C][=C][C][Branch1][C][F][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][S][F]
|
CHEMBL4543533
|
[C][=C][C][=C][O][C][Ring1][Branch1][=C][N][N][=C][Branch1][#C][C][N][C][C][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][O][Ring1][#C]
|
CHEMBL16289
|
[O][=C][Branch1][C][O][C@@H1][C][C@H1][C][C@@H1][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][N][=N][NH1][Ring1][Branch1][C][C][C@H1][Ring2][Ring1][C][C][N][Ring2][Ring1][=Branch1]
|
CHEMBL16290
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring1][N]
|
CHEMBL3309343
|
[C][S][C][=C][C][=C][Branch1][P][C][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][Ring1][Branch2][=O][C][=C][Ring1][S]
|
CHEMBL3309366
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][O][N+1][=Ring1][Branch2][O-1][C][=C][Ring1][#C]
|
CHEMBL16313
|
[C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][Branch1][C][O][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch1][Ring1][S]
|
CHEMBL16395
|
[C][C][C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][=N]
|
CHEMBL16396
|
[C][=C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL16397
|
[C][C][=C][Branch1][C][F][C][Branch1][O][N][C][C][C][Branch1][C][N][C][Ring1][=Branch1][=C][C][=C][Ring1][=N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][C][C][C][Ring1][Ring1]
|
CHEMBL16398
|
[C][C][C][C][C][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15856
|
[C][=C][C][C][C@H1][Branch1][C][O][C][Branch1][C][O][/C][Ring1][Branch2][=C][/C][=C][\C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C][Ring1][=Branch1][C@H1][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][O]
|
CHEMBL15859
|
[C][C][C][C][=Branch1][C][=O][O][C]
|
CHEMBL15860
|
[C][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][Branch1][Ring1][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][Ring1][=N][=C][C][=C][Ring2][Ring1][Ring2][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
|
CHEMBL15861
|
[C][=C][C][C@H1][Branch2][Branch1][P][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][Ring2][Ring1][S][B][O][C][C][C][C][C][Branch1][Branch2][C][Ring1][Ring2][Branch1][C][C][C][C@@][Ring1][=Branch2][Branch1][C][C][O][Ring1][=N]
|
CHEMBL15863
|
[C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL15864
|
[C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
|
CHEMBL16091
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=C][S][Ring2][Ring1][C]
|
CHEMBL16092
|
[O][=C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][P][O][C][O][Ring1][#Branch1]
|
CHEMBL16377
|
[C][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][Branch1][C][O][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring1]
|
CHEMBL16378
|
[O][=C][Branch1][C][O][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][O][=C][S][Ring2][Ring1][C]
|
CHEMBL16379
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][O][=C][S][Ring2][Ring1][C]
|
CHEMBL16646
|
[C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][=N]
|
CHEMBL16647
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Ring2][C][=N][N][=C][Branch1][O][S][C][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][O][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch1][O]
|
CHEMBL16648
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][#C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][Branch1][Branch1][C][C][C][#N][C][=Branch1][C][=O][C][O][Ring1][O][C][=C][Ring1][P][=C][Ring2][Ring1][=Branch2]
|
CHEMBL16649
|
[C][O][C][=C][C][=C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=Branch1][C][=O][C][Ring2][Ring1][C][=Ring1][=C]
|
CHEMBL16650
|
[C][C][C][C][C][C][C][C@H1][Branch1][Branch2][C][C@@H1][Branch1][C][O][C][S][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL16651
|
[O][=C][Branch1][C][O][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O]
|
CHEMBL16672
|
[C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][N][C][C][N][Branch1][Ring1][C][C][C][C][Ring1][Branch2][=N][Ring2][Ring1][=Branch1].[O][=C][Branch1][C][O][/C][=C][/C][=Branch1][C][=O][O]
|
CHEMBL16673
|
[N][#C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][Cl]
|
CHEMBL16674
|
[C][C][Branch1][C][C][S][C][=N][N][=C][Branch2][Ring1][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C][S][Ring2][Ring1][Ring2]
|
CHEMBL16675
|
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL16676
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][Ring2][N][C][=N][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][=Branch1][NH1][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL16677
|
[C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][NH1][C][=Ring2][Ring1][=Branch1][N][Branch1][Ring2][C][C][C][C][Ring2][Ring1][=C][=O]
|
CHEMBL16418
|
[C][C@@H1][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][Cl][C][Branch1][C][Cl][C][C][Ring2][Ring1][C][Branch1][C][C][C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][C][O]
|
CHEMBL16421
|
[O][=C][C][=C][Branch2][Ring2][N][O][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][C][C][Ring1][Ring1][C][C][C][C][C][C][Ring2][Ring1][S]
|
CHEMBL1744202
|
[C][N][C][=C][Branch1][S][C][=C][S][C][Branch1][#Branch1][N][=C][Branch1][C][N][N][=N][Ring1][=Branch2][C][=C][Ring1][=C][C][=O].[O][=C][Branch1][C][O][/C][=C][\C][=Branch1][C][=O][O]
|
CHEMBL16623
|
[N][#C][C][C][N][N][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][S][C][Ring2][Ring1][Ring1][=S]
|
CHEMBL16624
|
[Cl][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][N][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2].[O][=C][Branch1][C][O][/C][=C][/C][=Branch1][C][=O][O]
|
CHEMBL4543382
|
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O]
|
CHEMBL16625
|
[F][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1].[O][=C][Branch1][C][O][/C][=C][/C][=Branch1][C][=O][O]
|
CHEMBL3309399
|
[C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][O][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][=N][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][F][C][=C][N][=C][Ring2][Ring2][Branch1][C][=C][Ring2][Ring2][=Branch2][O][C][C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL16737
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][N][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL16738
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][#Branch1][Ring2][Ring2][Ring2]
|
CHEMBL16739
|
[C][C][=C][Branch1][O][N][C][C][C@H1][Branch1][C][N][C][Ring1][=Branch1][C][Branch1][C][F][=C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch2][Ring1][#C]
|
CHEMBL16740
|
[C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O][C][C][Ring2][Ring1][Ring2]
|
CHEMBL16741
|
[C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][NH1][C][=Ring2][Ring1][#Branch2][N][Branch1][Ring2][C][C][C][C][Ring2][Ring2][C][=O]
|
CHEMBL16760
|
[C][C][=Branch1][C][=O][C][C@@H1][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL16762
|
[O][C][=N][N][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][O][Ring2][Ring1][Ring1]
|
CHEMBL16763
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][S][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][=Branch2][C][O][C][C][O][=C][Ring2][Ring1][Branch1]
|
CHEMBL16764
|
[C][C][#C][C][/C][=C][\C][=C][\S][C][C][C][C][=Branch1][C][=O][O][C]
|
CHEMBL3309400
|
[C][O][C][=C][C][=C][Branch2][=Branch1][O][N][N][=C][Branch2][Branch1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Ring2][O][C][=C][C][=N][C][=C][C][Branch1][=N][O][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C][C][Branch1][C][F][=C][Ring2][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][O][=O][C][=C][Ring2][Branch1][C]
|
CHEMBL16155
|
[N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O]
|
CHEMBL16157
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][S][Ring1][#Branch2]
|
CHEMBL16159
|
[C][C][=C][Branch1][C][F][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][Branch1][C][Cl][C][=C][Ring1][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][C][C][C][Ring1][Ring1]
|
CHEMBL3309429
|
[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][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O]
|
CHEMBL16721
|
[C][C][C][=C][C][=C][Branch2][Branch1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][S][C][Branch2][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][=Branch1][O][C][Ring1][#Branch1][=O][C][C][C][C][C][C][Ring1][O][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring2][C]
|
CHEMBL16722
|
[C][O][C][=C][C][=C][Branch2][Ring2][=C][C][C][C][C][O][C][=Branch1][C][=O][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring2][Ring1]
|
CHEMBL16724
|
[C][=C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][NH1][C][=Ring1][S][N][Branch1][Ring2][C][C][=C][C][Ring2][Ring1][Branch2][=O]
|
CHEMBL16725
|
[C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring1][S]
|
CHEMBL16470
|
[C][N][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][C]
|
CHEMBL16472
|
[C][N+1][=C][C][=C][C][=C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][=C]
|
CHEMBL16766
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@H1][Branch1][N][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring2][Ring1][Ring1]
|
CHEMBL16491
|
[C][C][Branch1][C][C][Branch1][C][C][O][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][=C][Branch1][Ring1][\C][#N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL16493
|
[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=C][C][=C][Branch1][N][C][=N][N][C][=Branch1][C][=O][C][C][Ring1][#Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL16494
|
[C][N][C][=Branch1][C][=O][C][C][C][=C][Ring1][#Branch1][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][O]
|
CHEMBL16160
|
[C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][C][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][Ring2][O][C]
|
CHEMBL16246
|
[C][N][C][C][S][C][Branch1][C][Cl][=C][C][=Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S]
|
CHEMBL16247
|
[C][O][C][=C][C][=C][C][Branch1][#Branch1][C][C][Branch1][C][C][N][=C][Ring1][#Branch2]
|
CHEMBL16248
|
[C][N][C][=Branch1][C][=O][C][C][C][=C][Ring1][#Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
|
CHEMBL16249
|
[C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][N][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL16250
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Branch1][#C][N][C][C][Branch1][C][C][N][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][S][Ring2][Ring1][Branch2]
|
CHEMBL3309430
|
[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][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O]
|
CHEMBL16446
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL16449
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][=Branch1][C][=O][C][C][Ring1][=C]
|
CHEMBL16450
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C]
|
CHEMBL16555
|
[C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][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][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL16556
|
[C][=C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][Branch1][O][N][C][C][C@H1][Branch1][C][N][C][Ring1][=Branch1][=C][Branch1][C][C][C][=Ring2][Ring1][=Branch1][Ring1][=C]
|
CHEMBL16557
|
[Br][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2]
|
CHEMBL16558
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL16559
|
[C][C][=C][Branch1][C][F][C][Branch1][#C][N][C][C][C][Branch1][C][C][Branch1][Ring1][C][N][C][Ring1][Branch2][=C][C][=C][Ring1][#C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][C][C][C][Ring1][Ring1]
|
CHEMBL16495
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][=C][S][Ring1][P]
|
CHEMBL16579
|
[C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][Branch1][C][O][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring1]
|
CHEMBL16580
|
[O][=C][C][=C][Branch2][Ring2][N][O][C][Branch1][C][O][=C][Ring1][#Branch1][C@H1][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][C][C][Ring1][Ring1][C][C][C][C][C][C][Ring2][Ring1][S]
|
CHEMBL16581
|
[C][C][C][C][N][C][=Branch1][C][=O][O][C@H1][C][C][C@@][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2]
|
CHEMBL16251
|
[C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][C][/C][=C][\S][C][Branch1][#Branch1][N][=C][Branch1][C][N][N][=N][C][Ring1][=Branch2][=O][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2][O]
|
CHEMBL16339
|
[O][=C][C][=C][Branch2][Branch1][Branch1][O][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch2][Ring2][Ring2][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl][=C][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1][C][C][C][C][C][C][Ring2][Ring2][Ring1]
|
CHEMBL16340
|
[O][=C][C][=C][Branch2][Branch1][Branch2][O][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch2][Ring2][#Branch1][C][=C][C][=C][C][Branch2][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2][C][C][C][Ring1][Ring1][C][C][C][C][C][C][Ring2][Ring2][Ring2]
|
CHEMBL16535
|
[C][C][=C][C][=C][C][Branch2][Ring1][Branch2][S][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][=Branch2][C][O][C][C][O][=C][Ring2][Ring1][Branch1]
|
CHEMBL16536
|
[O][=C][C][=C][Branch2][Branch1][Ring2][O][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][Ring2][C][C][C][Ring1][Ring1][C][C][C][C][C][C][Ring2][Ring2][Ring2]
|
CHEMBL16538
|
[C][S][C@H1][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][P][=Branch1][C][=O][Branch1][C][O][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2]
|
CHEMBL16539
|
[C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL16540
|
[C][C][C][=Branch1][C][=O][N][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL16653
|
[C][C][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][=C][Ring1][P][C][Branch1][C][C][=O]
|
CHEMBL16654
|
[O][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
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