chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL12493
|
[C][S+1][Branch1][C][O-1][C][=C][C][=C][N][=C][S][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P]
|
CHEMBL12494
|
[O][=C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL12590
|
[C][C][C][C][=N][C][=C][Branch2][Ring2][#C][N][Ring1][Branch1][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][Branch1][C][F][=C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][C][Ring2][Ring2][C]
|
CHEMBL12431
|
[C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][N][Branch2][Ring1][#Branch2][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][Branch2][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1][C][=Ring2][Ring1][Ring2]
|
CHEMBL12513
|
[O][=P][Branch1][C][O][Branch1][C][O][C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring2][Ring1][Ring1][Ring1][Branch2]
|
CHEMBL12514
|
[C][C@][C][C][C@][Branch1][Ring2][C][Ring1][Branch1][C@H1][Branch1][=Branch1][C][C][Ring1][Branch2][=O][C][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C][C][C@@][Ring1][#Branch1][Branch1][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12515
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Ring1][=C]
|
CHEMBL12536
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][Branch1][C][C][Branch1][C][C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL12538
|
[C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P][C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL12539
|
[C][C][C][C][C][C@][Branch1][C][C][Branch1][C][O][/C][=C][/C][C@@H1][C][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch1][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][Ring1][=C]
|
CHEMBL12540
|
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=C][C][=N][C][=C][Ring1][=Branch1][Ring1][#Branch2]
|
CHEMBL12638
|
[C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C@H1][C][C@H1][Ring1][Ring1][C][C][Ring1][N][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]
|
CHEMBL12639
|
[C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C]
|
CHEMBL511
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL12474
|
[C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Ring2][Ring1][Ring2][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL12475
|
[C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C]
|
CHEMBL12476
|
[C][N][C][C][C][=C][Branch1][#C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][O][Ring1][Branch2][C][Ring1][=C]
|
CHEMBL12564
|
[Cl][C][=C][C][=C][C][Branch2][Branch1][Ring1][N][C][C][N][Branch2][Ring2][#Branch1][C][C][C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][N][Branch1][N][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][#C][=C][Ring2][Ring2][Branch1]
|
CHEMBL12565
|
[O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][C][C][Ring1][#Branch1][O]
|
CHEMBL12592
|
[C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL12593
|
[O][=C][N][C][C][C][N][Ring1][=Branch1]
|
CHEMBL12594
|
[C][O][N][C][C][/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][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL12693
|
[C][C][C][C][C][N][=C][Branch1][Branch1][C][C][C][C][N][Branch2][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][Branch1][C][F][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][N][=Ring2][Ring1][O]
|
CHEMBL12516
|
[C][C][C][N][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][=C][Ring1][#Branch2][NH1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][Ring1][#Branch1]
|
CHEMBL506
|
[C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][P]
|
CHEMBL12613
|
[O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
|
CHEMBL12614
|
[C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][=C][C][=C][Ring1][=N][O][Ring2][Ring1][=Branch2]
|
CHEMBL12640
|
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][C][Ring1][=C]
|
CHEMBL12642
|
[C][C][C][C][C][C@H1][Branch1][C][O][/C][=C][/C][C@@H1][C][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch1][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][Ring1][=C]
|
CHEMBL4559970
|
[C][C][N][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2]
|
CHEMBL12731
|
[C][C][C][C][C][C@@H1][/C][=C][\C][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][C@@H1][Ring1][#Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][O][Ring2][Ring1][Ring1]
|
CHEMBL1163454
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1]
|
CHEMBL12566
|
[C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][C][C][N][C][C][O][C][Branch1][C][O][C][Ring1][#Branch1]
|
CHEMBL12567
|
[C][O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=C][Ring1][=C]
|
CHEMBL12569
|
[C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O-1].[Na+1]
|
CHEMBL12657
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL12658
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL12659
|
[C][C][=C][Branch1][#Branch1][C][Branch1][C][O][C][O][C][=C][C][=N][C][=Branch2][Branch1][Ring1][=C][C][NH1][C][Branch2][Ring1][=N][C][=C][NH1][C][=Branch1][=Branch2][=C][C][Ring2][Ring1][Branch1][=N][Ring1][S][C][Branch1][C][C][=C][Ring1][=Branch2][C][C][C][=Branch1][C][=O][O][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Ring2][Ring1][=Branch2][C][C][Branch1][#Branch1][C][Branch1][C][O][C][O][=C][Ring2][Ring2][Ring2][C]
|
CHEMBL12694
|
[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][O][C][S][C][C][/N][=C][/N][C][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][O][Ring2][Ring1][=Branch2]
|
CHEMBL12695
|
[C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][O][Ring1][Branch2]
|
CHEMBL12696
|
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring1][=N][N][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring1][P][C][=C][Ring2][Ring1][O][Ring2][Ring1][P]
|
CHEMBL1163450
|
[Br].[O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][S][C][=N][Ring2][Ring1][Ring2]
|
CHEMBL12412
|
[C][O][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Branch1][Ring1][C][O][C][Branch2][Ring1][#Branch2][C][=C][C][=N][C][Branch1][S][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring1][P][=C][Ring2][Ring1][O][C][=C][Ring2][Ring1][#C][O][C]
|
CHEMBL12413
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][N][Ring1][=C][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL12616
|
[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][/N][=C][Branch1][C][\S][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1]
|
CHEMBL12710
|
[C][C][C][C][C][/C][=C][Branch1][N][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C]
|
CHEMBL12711
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][/C][=C][Branch1][N][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=C]
|
CHEMBL12712
|
[N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
|
CHEMBL4559980
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=N][Ring1][#C]
|
CHEMBL4559981
|
[C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch2][Ring2][#Branch1][C@@H1][O][C@H1][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O][=C][Branch1][C][O][C][Branch2][Ring2][#Branch1][C@@H1][O][C@H1][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O][=C][Ring2][Branch1][Ring2][O]
|
CHEMBL4559982
|
[C][O][C][=C][C][Branch2][Ring2][#Branch1][N][C][C][C][Branch2][Ring1][O][C][Branch1][C][N][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][#Branch2][C][C][C][Ring2][Ring1][Ring2][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][O][Cl]
|
CHEMBL4559983
|
[N][C][C][C][C][C][N][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4559984
|
[N][C][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][Ring2][#Branch1][=C][=O]
|
CHEMBL12713
|
[O][=C][N][C][C][N][Ring1][Branch1][C][C][N][C][C][C][Branch2][Ring1][=C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][P][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL12732
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL12733
|
[C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][N][Ring1][Branch2][P][=Branch1][C][=O][Branch1][C][O][O]
|
CHEMBL12734
|
[C][=C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O]
|
CHEMBL12735
|
[N][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL12456
|
[O][=C][Branch1][Ring1][N][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O]
|
CHEMBL12572
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=N][/C][=C][/C][=N][NH1][C][Branch1][C][O][=N][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C][O]
|
CHEMBL12573
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O][C][Ring1][P][=O]
|
CHEMBL12575
|
[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N]
|
CHEMBL12665
|
[N][C][=C][C][=C][Branch2][Ring1][=C][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][Ring2][C][Ring1][#Branch2][C][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][#Branch2][C][Ring1][=C][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL12414
|
[C][C@H1][Branch2][Ring2][C][N][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][N][Ring1][Branch2][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL12415
|
[O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][C][C][Ring1][N]
|
CHEMBL12416
|
[F][C][=C][C][=C][Branch2][Ring2][Branch2][C][Branch2][Ring1][=Branch2][C][C][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
|
CHEMBL12714
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][Ring1][=C][=O]
|
CHEMBL12432
|
[C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][O][C]
|
CHEMBL12433
|
[C][C][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O]
|
CHEMBL12434
|
[C][C][Branch1][C][C][C][C][=C][C][=C][N][=C][S][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P]
|
CHEMBL12435
|
[C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][=Branch1][C][=O][O]
|
CHEMBL12436
|
[C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][Ring1][P]
|
CHEMBL12437
|
[O][=C][Branch1][C][O][C][C][C][=C][NH1][C][Branch2][#Branch1][C][C][C][NH1][C][Branch2][Branch1][#Branch1][C][C][NH1][C][Branch2][Ring1][N][C][C][NH1][C][Branch1][Ring1][C][O][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Ring1][O][C][C][C][=Branch1][C][=O][O][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Ring2][Ring1][O][C][C][=Branch1][C][=O][O][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Ring2][Ring2][=Branch2][C][C][C][=Branch1][C][=O][O][=C][Ring2][Branch1][Ring2][C][C][=Branch1][C][=O][O]
|
CHEMBL12457
|
[C][C][N][C][C][N][Branch2][Ring2][=N][C][Branch2][Ring1][=C][C][N][C][C][N][Branch2][Ring1][C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][S]
|
CHEMBL12459
|
[O][=C][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL12460
|
[F][C][=C][C][=C][Branch2][Branch1][Ring1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][=Branch2][C][C][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring2]
|
CHEMBL12390
|
[C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
CHEMBL12391
|
[C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=C][C]
|
CHEMBL1163436
|
[C][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@H1][C][=Branch2][Ring1][=N][=C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][Branch2][O][C][=Branch1][C][=O][C][Cl][C][C][C@][Ring1][P][Ring1][=N][C][C][C@][Ring2][Ring1][#Branch1][Branch1][C][C][C][C][C@H1][Ring2][Ring1][=N][C][Ring2][Ring1][P][Branch1][C][C][C]
|
CHEMBL12392
|
[N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL12477
|
[C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][=Branch1][=C][Ring1][N][Ring1][Branch2][C][Ring1][#C]
|
CHEMBL12478
|
[C][C][N][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=C][Ring2][Ring1][=Branch1]
|
CHEMBL12497
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][O].[O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
|
CHEMBL12498
|
[C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL12499
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C@H1][C][C@H1][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][S][Ring2][Ring1][Branch1].[Cl-1]
|
CHEMBL1163447
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][N+1][=C][S][C][Branch1][Ring2][C][C][O][=C][Ring1][Branch2][C].[Cl-1]
|
CHEMBL1163438
|
[O][=C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][=N][C][N][C][=N][C][=N][Ring1][Branch1]
|
CHEMBL12438
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C@H1][C][C@H1][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][C][Ring2][Ring1][Branch1].[I-1]
|
CHEMBL12439
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C@H1][C][C@@H1][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][O][Ring2][Ring1][Branch1].[I-1]
|
CHEMBL12517
|
[O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O]
|
CHEMBL12518
|
[C][C][C][C][C][N][=C][Branch2][Branch1][=C][C][C][=C][C][=C][Branch2][Ring2][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N][Branch2][Ring1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Branch2][C][=C][Ring2][Ring2][Ring2][N][Branch1][Branch1][C][C][C][C][N][=Ring2][Ring2][=C]
|
CHEMBL12519
|
[O][=N][N][Branch1][Ring2][C][C][F][C][=Branch1][C][=O][N][C][C][S][C][S][C][Ring1][=Branch1]
|
CHEMBL12520
|
[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][#C][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C]
|
CHEMBL12521
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C@@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][O][Ring1][#Branch1]
|
CHEMBL12542
|
[C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL12543
|
[C][N][C][C][C][C][Ring1][Branch1][=O]
|
CHEMBL12544
|
[C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][P][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL12545
|
[C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Ring1][#Branch2]
|
CHEMBL12546
|
[O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][N][Ring1][Branch2]
|
CHEMBL12480
|
[C][C][Branch2][Ring2][Branch2][C][N][C][C][N][Branch2][Ring1][O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
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