chembl_id
stringlengths
7
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stringlengths
3
6.7k
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]