chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL15660
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2][O][C]
|
CHEMBL15661
|
[C][N][Branch1][C][C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch1][O][C][N][C][C][C][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=C][C][Ring2][Ring1][C][Branch1][C][C][C]
|
CHEMBL3310669
|
[C][#C][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][C][C][=C][Branch1][C][Cl][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL15982
|
[C][N][Branch2][Ring2][C][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][C][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O]
|
CHEMBL15983
|
[C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][/N][=C][\C][C@@H1][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][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15985
|
[O][C][NH1][C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][=N][C][=N][C][=N][C][=Ring2][Ring1][Ring1][Ring1][Branch1]
|
CHEMBL15986
|
[C][N][C][=Branch1][C][=O][S][C][=C][C][Branch2][Ring1][#Branch1][C][C][C][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][#Branch2]
|
CHEMBL15907
|
[C][C@H1][Branch2][Ring2][#Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][O][C@][Ring1][Ring1][C][C][C][C@@H1][Ring1][#Branch1][C][#C][/C][=C][\C][#C][C@H1][Ring2][Ring1][Branch1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15908
|
[O][=C][Branch1][N][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL15909
|
[C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][C][C][C][Branch1][P][C][=C][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][N][Ring2][Ring1][P]
|
CHEMBL15913
|
[N][C][C][=C][NH1][C][=Branch1][C][=O][N][=Ring1][#Branch1]
|
CHEMBL15914
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL3310363
|
[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][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][S][Ring1][N]
|
CHEMBL15935
|
[C][C][C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring2][Branch1]
|
CHEMBL15936
|
[C][=C][C][=N][S][N][=C][Ring1][Branch1][C][=C][Ring1][=Branch2][C][C][N][C][Ring1][=Branch1]
|
CHEMBL15937
|
[C][N][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][S][Ring1][=Branch2][=Branch1][C][=O][=O]
|
CHEMBL16025
|
[O][=C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL16026
|
[C][C][C][=C][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][O][=C][NH1][C][=N][C][Ring1][Branch1][=N][Ring1][#Branch2][=C][C][=C][Ring1][P][C]
|
CHEMBL15663
|
[F][C][=C][C][=C][NH1][C][=C][Branch1][=N][C][C][C][C][N][C][C][N][C][C][Ring1][=Branch1][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
|
CHEMBL15664
|
[C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][C][=C][Branch1][#C][C][Branch1][C][N][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][Ring1][O][C][C][C][C][Ring1][O]
|
CHEMBL15411
|
[C][C][=C][C][Branch1][C][C][=C][C][=Branch1][Ring2][=N][Ring1][#Branch1][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S]
|
CHEMBL15412
|
[C][=C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL15689
|
[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]
|
CHEMBL15691
|
[C][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][Branch1][C][C][=C][C][C][Branch1][Ring1][C][O][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][#Branch2][Ring1][S]
|
CHEMBL15692
|
[C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
|
CHEMBL15694
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C]
|
CHEMBL3310673
|
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
CHEMBL16000
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][C][Branch1][O][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][=N][Ring1][O]
|
CHEMBL16001
|
[C][C][=C][Branch1][C][F][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][Branch1][C][F][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]
|
CHEMBL16003
|
[C][C][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][F][C][=C][Ring1][#Branch1]
|
CHEMBL16004
|
[C][C][N][Branch1][=C][C][/C][=C][/C][#C][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][O][C][Si][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring2][N][=N+1][=N-1][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2]
|
CHEMBL3310364
|
[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][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][S][Ring1][N]
|
CHEMBL16027
|
[C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][P][Ring1][N]
|
CHEMBL16028
|
[C][C][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][Ring1][Branch2][C]
|
CHEMBL16030
|
[C][C][=C][Branch1][C][F][C][Branch1][N][N][C][C][N][C][Branch1][C][C][C][Ring1][#Branch1][=C][Branch1][C][F][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]
|
CHEMBL15740
|
[C][C][N][C][C][C][C][N][Branch2][Ring2][Branch1][C][=C][Branch1][C][F][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][Ring1][C][C][C][Ring1][N][=C][Ring2][Ring1][C][F][C][Ring2][Ring1][Branch2]
|
CHEMBL15413
|
[C][O][C@@][Branch1][=N][N][C][=Branch1][C][=O][C][S][C][Branch1][C][F][F][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][=N][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][O][C][O][C@@H1][Ring2][Ring1][Ring1][Ring2][Ring1][=C]
|
CHEMBL15414
|
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][N][/N][=C][\C][C][C][Branch1][C][C][N][C][Ring1][#Branch1][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL15415
|
[C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][S][C][N][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][Ring1][=Branch2][=O]
|
CHEMBL15492
|
[C][C][C][C][C][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][C][C][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL558
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][Branch1][C][C][N]
|
CHEMBL3310670
|
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2]
|
CHEMBL15785
|
[C][O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][/C][=C][Branch1][C][C][/C][=C][/C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Ring2][Ring2][=C][C]
|
CHEMBL15786
|
[C][=C][C][C@H1][Branch2][Branch1][=N][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][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][=C][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]
|
CHEMBL4543438
|
[C][C][C][O][C][=N][S][N][=C][Ring1][Branch1][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL15787
|
[N][C][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][O][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Branch2]
|
CHEMBL15788
|
[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][C]
|
CHEMBL15789
|
[C][=C][C][C@H1][Branch2][=Branch1][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][Branch1][C][C][=O][C][Branch1][C][C][C][C][Branch1][C][C][C][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]
|
CHEMBL15791
|
[C][O][N][C][=N][C][=Branch1][C][=O][/C][=Branch2][Ring1][P][=C][/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][=Branch1]
|
CHEMBL15714
|
[O][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][S][C][=C][C][N][Ring2][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15715
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C]
|
CHEMBL15717
|
[O][=C][C][=C][Branch2][Ring1][Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring2][Ring1][Ring1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL15719
|
[C][=C][C][=N][N][=C][Ring1][=Branch1]
|
CHEMBL15741
|
[C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15742
|
[C][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C]
|
CHEMBL15743
|
[C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C]
|
CHEMBL15832
|
[O][=C][Branch1][=C][N][N][C][C][C][C][C][C][Ring1][Branch1][C][Ring1][Branch2][C][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring2][Ring1][Ring2]
|
CHEMBL15493
|
[C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][C][C][C][Ring1][Branch1][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15494
|
[C][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][Branch1][C][O][=N][Ring1][N]
|
CHEMBL15495
|
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C]
|
CHEMBL15581
|
[C][C@H1][C][C][C][C][C][C@][Branch1][C][O][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C@@][Ring2][Ring1][Branch1][Branch1][C][C][C][C@H1][Branch1][C][O][C][Ring2][Ring1][O][C@@][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring2][Ring2][Branch1][Ring1][Branch2]
|
CHEMBL559
|
[N][C@H1][Branch2][Ring2][=Branch1][C][C][=C][C][Branch1][C][I][=C][Branch2][Ring1][Ring1][O][C][=C][C][Branch1][C][I][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][=Branch2][C][Branch1][C][I][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O]
|
CHEMBL15886
|
[C][C][N+1][Branch1][C][C][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O].[I-1]
|
CHEMBL15887
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][Ring1][N]
|
CHEMBL15888
|
[N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL15891
|
[Cl][C@H1][C@H1][Branch1][C][Cl][C@@H1][Branch1][C][Cl][C@@H1][Branch1][C][Cl][C@H1][Branch1][C][Cl][C@H1][Ring1][#Branch2][Cl]
|
CHEMBL15811
|
[C][C][N][Branch1][#C][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N+1][=N-1][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][C][=C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=C][S][Ring1][#Branch2][=C][Ring2][Ring1][C]
|
CHEMBL15812
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C]
|
CHEMBL15813
|
[O][=C][Branch2][Ring1][Ring2][N][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][O][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL15833
|
[C][C][C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]
|
CHEMBL15835
|
[C][N][Branch2][Ring1][#Branch1][C][C][S][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][C][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O]
|
CHEMBL15939
|
[C][C][C][C][C][C]
|
CHEMBL15583
|
[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][O+1][=C][C][=C][Branch1][C][C][C][Branch1][C][N][=C][C][Ring1][Branch2][=N][C][Ring1][N][=C][Ring1][S].[Cl-1]
|
CHEMBL15584
|
[C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
CHEMBL15329
|
[C][C][NH1][C][=N][C][=Ring1][Branch1][C][S][C][C][/N][=C][Branch1][C][\N][C][C][=Branch1][C][=O][O]
|
CHEMBL15330
|
[C][=C][C][O][C][=C][Branch2][Ring1][N][C][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C][C][=C][C][=C][Ring2][Ring1][#Branch1][O][C]
|
CHEMBL3310671
|
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
CHEMBL15988
|
[C][=C][C][=C][C][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][=C][NH1][C][Ring1][O][=C][Ring1][#C]
|
CHEMBL15989
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][C][Ring1][N]
|
CHEMBL4543496
|
[C][/C][=Branch1][O][=C][Branch1][Ring1][\C][#N][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL4543497
|
[C][N][C][C@H1][Branch2][Ring1][Ring1][N][C][=N][C][C][=C][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C@H1][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][Ring2][Ring1][#C]
|
CHEMBL4543498
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][N][N][=C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][N][Ring1][=C][C][Ring1][P][=O][=C][Ring2][Ring1][N]
|
CHEMBL4543499
|
[O][=N+1][Branch1][C][O-1][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][P][Ring1][#Branch1]
|
CHEMBL15991
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL15992
|
[C][N][Branch2][Ring1][#Branch1][C][C][O][C][=C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][C][C][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O]
|
CHEMBL3310300
|
[C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]
|
CHEMBL15814
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=C][S][Ring1][=N]
|
CHEMBL15915
|
[C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][N][C][=C][Branch1][#Branch1][N][=C][Ring1][S][Ring1][#Branch1][C][C][C][C][Ring1][Branch2]
|
CHEMBL15916
|
[N][C][=C][C][=Branch2][Ring1][Branch1][=N][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][Ring1][O][C][C][C][C][Ring2][Ring1][C]
|
CHEMBL15917
|
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C]
|
CHEMBL15919
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=C][S][C][Branch1][O][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][=N][Ring1][O][=C][Ring1][P]
|
CHEMBL3310425
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring2][=N][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][=N][N][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][P][C][C][C@][Ring2][Ring1][Branch1][Ring2][Ring1][#Branch2][C][C@@H1][Ring2][Ring2][Ring1][Ring2][Ring1][S]
|
CHEMBL16113
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][S][Ring1][P]
|
CHEMBL16114
|
[C][C][C][C][C][C][C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][C][C][Branch1][C][O][C][S]
|
CHEMBL16115
|
[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][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][C]
|
CHEMBL16116
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C@H1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][N][Ring1][O][O][C][O][Ring1][Branch2][=C][Ring2][Ring1][Ring2]
|
CHEMBL3309367
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=N][O][N][=C][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C]
|
CHEMBL16399
|
[C][N][C][=N][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][Ring2][Ring1][P]
|
CHEMBL16135
|
[C][=C][C][N][C][C][C][C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Br][=C][C][Branch1][Ring1][O][C][=C][Ring1][O][O][C]
|
CHEMBL16137
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][C][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1]
|
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