chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL12402
|
[C][C][Branch2][Ring2][Branch1][C][N][C][C][N][Branch2][Ring1][Branch2][C][C][Branch1][=Branch2][C][=C][C][=C][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][C][=C][Ring1][=Branch1]
|
CHEMBL12403
|
[C][N][Branch1][C][C][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][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1]
|
CHEMBL12604
|
[N][C][C][=C][N][Branch1][S][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][I][C][Ring1][Branch2][O][C][=Branch1][C][=O][N][=Ring1][S]
|
CHEMBL12605
|
[O][=C][Branch1][Ring1][C][Cl][N][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
CHEMBL12697
|
[C][C][=C][S][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][N][Ring1][=N][Ring1][#Branch2]
|
CHEMBL12699
|
[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C]
|
CHEMBL12700
|
[O][=C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring2][Ring1][C][Ring1][Branch2]
|
CHEMBL12701
|
[O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]
|
CHEMBL12628
|
[O][C][C][N][C][C][N][Branch2][Ring2][=Branch1][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#Branch2]
|
CHEMBL12630
|
[C][O][C][=C][C][=C][Branch2][#Branch1][S][O][C][C][Branch1][C][O][C][N][Branch2][Ring1][Ring2][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][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][Ring2][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][=Branch1][Ring1]
|
CHEMBL1163448
|
[C][=Branch1][P][=C][\C][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][\C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
CHEMBL12720
|
[C][O][C][=C][C][=C][Branch1][Ring1][C][N][C][=C][Ring1][Branch2]
|
CHEMBL12722
|
[N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
|
CHEMBL522
|
[N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL12723
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][C][Branch1][#Branch1][N][=C][Branch1][C][N][N][C][Ring1][#Branch2][O][Ring1][=Branch2].[O][=N+1][Branch1][C][O-1][O]
|
CHEMBL12651
|
[O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL12652
|
[O][=C][C][C][C][/C][=C][\C][C@@H1][C][Branch2][Ring1][Ring2][/C][=C][\C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Branch1][C@H1][Branch1][C][O][C][C@@H1][Ring2][Ring1][C][O]
|
CHEMBL12742
|
[C][=C][C][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][C][C][Branch1][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][N][C][Ring1][=C][C][=Branch1][C][=O][O][C][C][Si][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL1163455
|
[C][O][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][=C][Ring2][Ring1][Ring1]
|
CHEMBL12743
|
[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C]
|
CHEMBL4543318
|
[N][#C][C][=C][Branch1][=Branch1][N][C][C][C][N][S][C][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1][=C][Ring2][Ring1][C][N]
|
CHEMBL1163437
|
[Br].[C][C][O][C][=Branch1][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]
|
CHEMBL12404
|
[C][N+1][Branch1][Ring2][C][C][Br][Branch1][Ring2][C][C][Br][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1].[Br-1]
|
CHEMBL12405
|
[C][C][Branch1][C][Cl][C][N+1][Branch1][C][C][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][Branch1][C][C][Cl].[Cl-1]
|
CHEMBL12487
|
[C][C][Branch2][Ring2][#C][C][N][C][C][N][Branch2][Ring2][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL12488
|
[C][C][=Branch1][C][=O][O].[N][=C][Branch1][C][N][N][C][=C][S][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][NH1][C][Ring1][O][=Ring1][Branch2]
|
CHEMBL12702
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][C][C][C][C][C][C][C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][Ring1][N][=O][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL12703
|
[C][C][C][C][=N][C][=C][Branch2][Branch1][=N][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][S][C][N][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][=O][=C][Ring2][Ring1][S][C][=Branch1][C][=O][C][C][C][C][Ring2][Ring2][#Branch2]
|
CHEMBL12422
|
[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][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][Ring2][Ring1][Ring2]
|
CHEMBL12423
|
[C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C].[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][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C]
|
CHEMBL12425
|
[O][=C][Branch2][Ring2][O][C@@H1][Branch2][Ring1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][C][=N][Ring1][Branch1][N][C][C][C][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2]
|
CHEMBL12426
|
[C][C][C][=Branch1][=N][=C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Ring1][Branch2][C@H1][C][C][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]
|
CHEMBL12724
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#Branch2][/C][=N][/N][=C][Branch1][C][\N][N][O][=C][Ring1][#C].[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2]
|
CHEMBL12725
|
[N][C][=C][C][Branch2][Branch1][Branch1][C@H1][Branch2][Ring1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2][=C][C][=C][Ring2][Ring2][#Branch1][O]
|
CHEMBL12445
|
[C][=C][C@@H1][Branch1][C][O][C][C][C@][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][C][C@@H1][Ring2][Ring1][Ring1][Ring1][=C]
|
CHEMBL12446
|
[C][O][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][N][Branch1][S][C][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][C][Ring2][Ring1][Ring1]
|
CHEMBL12744
|
[C][C][O][/C][Branch1][C][O][=C][\C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL12745
|
[C][N][Branch1][C][C][C][C][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL12466
|
[C][C][Branch1][C][C][N][Branch2][Ring1][#C][C][C][C][Branch1][Branch2][C][C][N][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][C]
|
CHEMBL12467
|
[C][=C][C][=C][Branch1][C][C][C][=C][C][NH1][C][Branch2][Branch1][Branch1][C][=C][N][=C][Branch2][Ring1][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][Ring2][Ring1][C][NH1][Ring1][S][C][Branch1][C][C][=C][Ring1][=Branch2][C][C][C][=Branch1][C][=O][O][C][C][Branch1][=Branch2][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][O][C][=C][Branch1][C][C][C][=Ring2][Ring2][Ring1][C][=C]
|
CHEMBL12468
|
[O][=C][C][C][C][/C][=C][\C][C@H1][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C][Ring1][#Branch1][/C][=C][\C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][#Branch2]
|
CHEMBL12489
|
[C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][=C][C][Branch1][C][C][Branch1][C][C][O][Ring1][S]
|
CHEMBL12490
|
[C][=C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][C][Branch1][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][N][C][Ring1][=C][C][=Branch1][C][=O][O][C][C][Si][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL4543346
|
[C][O][C][=C][C][=C][Branch2][Ring2][N][C][C][=C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][Ring2][Ring1][C][C][=C][N][Ring2][Ring1][=Branch1][N][=Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL4543347
|
[C][C][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL4543348
|
[O][=N+1][Branch1][C][O-1][C][=C][Branch1][C][I][C][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][Branch2][C][=N][N][=C][O][Ring1][Branch1][C][=C][Ring1][O]
|
CHEMBL4543349
|
[C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][N][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][=N][C][Ring2][Ring1][Ring1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL1163443
|
[O][=C][Branch2][Ring1][Ring2][N][C][C][S+1][Branch1][C][O-1][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL12583
|
[C][C][Branch1][C][C][N][Branch2][Ring1][S][C][C][C][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][C][C]
|
CHEMBL12584
|
[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]
|
CHEMBL12427
|
[O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Branch2][Ring1][#Branch1][C][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL12506
|
[N][C][=C][C][=C][Branch2][Branch1][Branch1][C@H1][Branch2][Ring1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2][C][=C][Ring2][Ring2][#Branch1]
|
CHEMBL12509
|
[O][=N][N][Branch1][Ring2][C][C][F][C][=Branch1][C][=O][N][C][C][C][S][C][C][Ring1][=Branch1]
|
CHEMBL4543350
|
[C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1]
|
CHEMBL4543351
|
[C][C][=C][C][Branch1][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][C][=C][Ring1][#C][O][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][C][C][=C][S][C][Ring2][Ring1][C][=Ring1][Branch1]
|
CHEMBL4543352
|
[C][C][=N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4543353
|
[C][C][=C][C][Branch2][Ring2][Branch2][N][C][C][N][Branch2][Ring1][N][C][C][=N][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=Branch1][C][=O][C][=Ring1][S][Cl][C][C][Ring2][Ring1][#Branch1][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring2][Ring1][S]
|
CHEMBL4543354
|
[C][O][C][=C][C][=C][Branch2][Ring1][S][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][=C][C][=C][Ring1][O][C][C][=C][Branch1][C][C][C][C][=C][Ring2][Ring1][O]
|
CHEMBL4543355
|
[C][=C][C][=Branch1][C][=O][C@@][C][=Branch1][C][=O][O][C][C@][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][=Branch2][C][=O][C@@H1][Ring1][P][C][C][C@@H1][Ring2][Ring1][#Branch1][C@H1][Ring2][Ring1][Branch1][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][O][C][=C][C][=Branch1][C][=S][S][S][Ring1][=Branch1][C][=C][Ring1][N]
|
CHEMBL4543356
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Ring2]
|
CHEMBL4543357
|
[O][=C][Branch2][Ring1][C][/C][=C][/C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][=C][=O][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL4543358
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@H1][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][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@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][Ring2][Ring2][#Branch1][=O]
|
CHEMBL4543359
|
[O][=C][Branch2][Ring1][Ring2][N][/N][=C][/C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2]
|
CHEMBL4543360
|
[C][O][C][=C][C][=C][Branch2][Ring2][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=C][Branch1][=C][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][Ring2][Ring1][#C]
|
CHEMBL4543361
|
[C][C][=Branch1][C][=O][N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][O]
|
CHEMBL12448
|
[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][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][#C][Ring2][Ring1][Branch1]
|
CHEMBL12449
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][C][C@@H1][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL12450
|
[O][=S][=Branch1][C][=O][Branch2][Ring2][Ring1][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][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL12530
|
[C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
CHEMBL12531
|
[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]
|
CHEMBL12469
|
[C][C][O][C][=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][Ring2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][/N][=C][Branch1][C][\S][N][C]
|
CHEMBL12470
|
[O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
|
CHEMBL12552
|
[C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][O][Ring2][Ring1][Ring2]
|
CHEMBL12553
|
[C][C][=Branch1][C][=O][O][C][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][Ring1][#C]
|
CHEMBL12554
|
[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]
|
CHEMBL12555
|
[C][O][C][=C][C][=C][Branch2][Branch1][Ring1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][C][Branch1][C][C][N][C][=C][Ring2][Ring2][Branch2]
|
CHEMBL12556
|
[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][Ring2][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring2][Ring1][N].[Cl-1]
|
CHEMBL12558
|
[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][N][Ring2][Ring1][Branch1][C][Branch1][C][C][=O].[Cl-1]
|
CHEMBL12585
|
[C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][C][/C][=C][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring1][P][Ring2][Ring1][Branch2]
|
CHEMBL12586
|
[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2].[N][/C][=Branch1][Ring1][=N][\O][N][/N][=C][/C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL12587
|
[C][C@@H1][O][C@H1][Branch1][#Branch2][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C@H1][Ring1][#Branch2][O]
|
CHEMBL12588
|
[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][Branch1][=Branch1][C][O][C][C][F][=C][Ring2][Ring1][N]
|
CHEMBL12686
|
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][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][C][=C][Ring2][Ring1][#C]
|
CHEMBL12687
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][C][C][C][Ring1][#C]
|
CHEMBL12510
|
[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][=Branch2][N][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][S]
|
CHEMBL12511
|
[C][C@@H1][O][C@H1][Branch1][#Branch2][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C@H1][Ring1][#Branch2][F]
|
CHEMBL12606
|
[C][C][C][C][=C][Branch1][O][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][N][C][Ring1][N]
|
CHEMBL12607
|
[C][N][C][=C][C][=C][C][Ring1][=Branch1][=O]
|
CHEMBL12608
|
[C][C][NH1][C][=N][C][=Ring1][Branch1][C][S][C][C][N][C][=Branch1][C][=N][N][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL12609
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][O][C][C][C][N][Branch1][C][C][C][=N][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][N]
|
CHEMBL12610
|
[C][N][Branch1][C][C][C][C][C][O][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]
|
CHEMBL12532
|
[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]
|
CHEMBL12533
|
[C][=C][C][=C][N][=C][Branch2][Ring1][#Branch2][C][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][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O]
|
CHEMBL12534
|
[C][O][C][=C][C][=C][C][=Branch1][#Branch2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C]
|
CHEMBL12631
|
[O][=C][Branch1][C][O][C][O][C][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][C][C][Ring2][Ring1][Branch2]
|
CHEMBL12632
|
[C][C][Branch1][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]
|
CHEMBL12559
|
[N][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL12562
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][Ring1][#Branch2][C][=Branch1][C][=O][O][C][Ring1][Branch2]
|
CHEMBL12563
|
[O][=N][N][Branch1][Ring2][C][C][F][C][=Branch1][C][=O][N][C][C][F]
|
CHEMBL12653
|
[N][C][C][C][=C][N][Branch2][Ring1][=N][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][Branch2][C][=C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F][C][=Ring2][Ring1][Branch1]
|
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