chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL18387
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][Branch1][S][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][O][C][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][S]
|
CHEMBL18388
|
[O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][O][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2]
|
CHEMBL18389
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][N][Ring1][#Branch2][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@H1][C][C][O][C][Ring1][Branch1]
|
CHEMBL18677
|
[Cl][C][=N][C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][Ring2][Ring1][Branch2]
|
CHEMBL18679
|
[C][C][C][C][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][C][=N][C][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1]
|
CHEMBL4434952
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][/N][=N][/C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL4434953
|
[C][C][C][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][=Ring1][N]
|
CHEMBL4434954
|
[O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][O]
|
CHEMBL4434955
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][N][S][Ring1][#Branch1][=C][C][=C][Ring1][S][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][#Branch2].[Cl]
|
CHEMBL4434956
|
[C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][=N][=O][=C][Ring2][Ring1][Ring2]
|
CHEMBL4434957
|
[C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][#C][Ring2][Ring1][O]
|
CHEMBL4434958
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch2][Ring2][Ring1][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][C][C][Ring1][Ring2][=N][C][=C][C][=C][Branch1][Branch2][N][Branch1][C][C][C][C][O][C][=C][Ring2][Ring1][Ring1][Ring1][O][C][C][Ring2][Ring1][=Branch2].[Cl]
|
CHEMBL4434959
|
[C][O][C][=C][C][Branch2][Ring2][S][C@@H1][C][C@@H1][Branch1][N][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][N][Ring2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring2][O][C]
|
CHEMBL18680
|
[C][C][Branch2][Ring1][=Branch2][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL18681
|
[O][=C][Branch1][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O]
|
CHEMBL18610
|
[C][C][N][C][C][C][N][Branch1][Ring1][C][C][C][C][C][C][N][Branch1][Ring1][C][C][C][C][C][N][C][C]
|
CHEMBL18611
|
[C][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][NH1][Ring2][Ring1][=Branch1]
|
CHEMBL18612
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][O][C][C][Ring1][Ring2][C][Branch1][Ring1][C][O][C][Ring1][Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][O][C]
|
CHEMBL18699
|
[C][=C][C][=C][Branch1][#Branch2][O][C][C][N][=N][NH1][N][=Ring1][Branch1][C][Branch2][Ring1][=C][C][O][C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][P]
|
CHEMBL18700
|
[Br][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][N][=C][Ring1][P]
|
CHEMBL18455
|
[C][C][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
|
CHEMBL18456
|
[C][=C][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=N][C][Branch1][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O]
|
CHEMBL18538
|
[C][C][C][C][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18539
|
[C][C][C][C][O][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][C][=N][C][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1]
|
CHEMBL18390
|
[C][O][C][C@@H1][C][N][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O][Ring1][O]
|
CHEMBL18477
|
[C][C][C][C][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
|
CHEMBL18478
|
[C][O][C][=Branch1][C][=O][C][=C][C][C][C][N][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][=Branch1]
|
CHEMBL18479
|
[C][N][C][=C][C][Branch2][Ring2][Ring1][C][N][C][C][C][C][C][C][N][C][C][S][S][C][C][N][C][C][C][C][C][C][N][C][C][C][=C][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Ring2][Ring2][Ring1]
|
CHEMBL18682
|
[C][C][C][C][C][Branch1][C][C][Branch1][C][O][C][/C][=C][/C@H1][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][C]
|
CHEMBL18766
|
[N][C][C][C][N+1][=C][C][=C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][C].[Br-1]
|
CHEMBL18767
|
[C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][=C][C][C][C][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][Ring1][=Branch2].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL18768
|
[C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][Branch1][C][C][=C][C][Ring1][#Branch1][=C][Ring2][Ring1][C]
|
CHEMBL18769
|
[C][N][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][NH1][C][=N][C][Ring1][#Branch2][=Ring1][Branch1][C][C][Ring2][Ring1][Ring1]
|
CHEMBL18701
|
[C][C][C][C][O][C][=C][C][Branch1][N][C][C][C][N][C][=Branch1][C][=O][N][Ring1][=Branch1][=C][C][=C][Ring1][=N][O][C]
|
CHEMBL18702
|
[C][C][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL18703
|
[C][C][O][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C]
|
CHEMBL18788
|
[C][=C][C][=C][Branch2][Ring2][Branch2][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][=N][N][Branch1][=C][C][C][C][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][P]
|
CHEMBL18789
|
[C][O][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2]
|
CHEMBL18540
|
[C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@H1][Ring1][P][S][C][Ring2][Ring1][Branch2]
|
CHEMBL18541
|
[C][O][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL1163496
|
[C][C][N][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][N][Branch2][Ring1][=Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1]
|
CHEMBL18285
|
[C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=S][N][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
|
CHEMBL18286
|
[C][O][C][=Branch1][C][=O][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL18480
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][N][=C][Branch1][=C][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][Br][Br][NH1][C][=Ring1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4434690
|
[C][=C][C][N][C][=Branch1][C][=O][C@@H1][S][S][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4434691
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
|
CHEMBL4434692
|
[C][N][Branch2][Ring1][#Branch2][C][C][O][C][C][=C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][N][=Ring1][=C][C][C][C][C][Ring1][Ring1].[Cl]
|
CHEMBL4434693
|
[O][=C][Branch1][=C][N][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N]
|
CHEMBL4434694
|
[C][O][C][=C][C][Branch2][Ring1][S][C][=C][N][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N][=C][Ring2][Ring1][C][C][=C][C][Branch1][C][Cl][=C][Ring2][Ring1][#Branch2][C][Branch1][C][N][=O]
|
CHEMBL4434695
|
[N][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4434696
|
[C][O][C][=C][C][=C][Branch1][O][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][O][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][C@@H1][Ring2][Ring1][#Branch1][Ring1][=N]
|
CHEMBL4434697
|
[O][=C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][S][C][C][C][=C][S][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][N][Ring2][Ring1][C][Ring1][#C][C][C][=C][C][=C][O][Ring1][Branch1]
|
CHEMBL4434698
|
[N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][S]
|
CHEMBL18481
|
[N][C][C][Branch1][C][O][/C][=C][/C][C][C][C][C][C][Ring1][Branch2]
|
CHEMBL18482
|
[C][C][Branch2][Ring1][=N][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL18217
|
[O][=C][Branch1][C][O][C][Branch1][C][O][C][O][C][=N][S][N][=C][Ring1][Branch1][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL18219
|
[C][C][C][C][C][Branch1][Branch1][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C@@H1][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C@H1][Ring2][Ring1][N][O]
|
CHEMBL18770
|
[C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
|
CHEMBL18920
|
[C][C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][N+1][=C][C][=C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][C].[Br-1]
|
CHEMBL18921
|
[C][Si][Branch1][C][C][Branch1][C][C][O][C][Branch1][Ring1][C][#N][C][C][C][C][C][C][C][C][C][C][Ring1][=N]
|
CHEMBL18922
|
[C][=C][C][Branch1][P][C][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][C][Branch2][Ring1][Branch1][C][N][=N][N][Branch1][N][C][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][N][=Ring1][=C][=C][Ring2][Ring1][S]
|
CHEMBL18923
|
[N][#C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL18924
|
[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][C][Branch1][C][O][C][=C][C][Branch2][Ring1][Branch1][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Branch1][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][=C]
|
CHEMBL18790
|
[C][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][O][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
CHEMBL18792
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][NH1][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][Ring1][#C]
|
CHEMBL18879
|
[C][=C][C][Branch1][C][C][Branch1][C][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Branch2][Ring1][#Branch1][C][=C][NH1][C][=C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=C][Ring1][=C][Ring1][O][C][=Branch1][C][=O][C][Ring2][Ring1][#Branch1][=O]
|
CHEMBL18880
|
[C][=Branch2][Ring1][S][=C][Branch1][=Branch2][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18287
|
[C][C][C][C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][N][Ring1][=N][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P]
|
CHEMBL18288
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][P]
|
CHEMBL18372
|
[C][N][Branch1][#C][C][C][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][S][S][C][C][N][Branch1][C][C][C][C][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL18373
|
[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1]
|
CHEMBL18220
|
[N][#C][C][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][S]
|
CHEMBL18221
|
[C][C][C][C][C][/C][Branch1][C][O][=C][\C][/C][=C][\C][/C][=C][\C][=C][\C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL18222
|
[C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL18305
|
[C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18306
|
[C][N][C][C][=C][Branch1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N]
|
CHEMBL18307
|
[C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][P][S][Branch1][C][N][=Branch1][C][=O][=O].[Na+1]
|
CHEMBL18925
|
[N][C][=N][C][Branch1][C][N][=C][N][=C][Branch2][Ring2][Ring2][C][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][F][C][=N][C][Ring2][Ring1][O][=N][Ring2][Ring1][S]
|
CHEMBL18589
|
[C][O][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][O][C][O][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C]
|
CHEMBL18590
|
[C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C]
|
CHEMBL18591
|
[O][=C][Branch1][C][O][C][=N][C][C][C][Ring1][Branch1]
|
CHEMBL18592
|
[C][=C][C][=C][Branch2][Ring2][C][C][C][N][C][C][C][=Branch2][Ring1][Ring2][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O]
|
CHEMBL18794
|
[C][C][N][C][C][C][N][C][C][C][C][N][C][C][C][N][C][C]
|
CHEMBL18795
|
[O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][N][C][C][S][S][C][C][N][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18796
|
[C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring1][S][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
CHEMBL18797
|
[C][S][C][=C][C][=C][Branch2][Ring1][=N][/C][=C][/C][Branch1][C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL18886
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][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][#Branch2][Ring2][Ring2][#Branch1]
|
CHEMBL18374
|
[C][O][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][=C][N][Ring1][#Branch2][C][C][/C][Ring1][Branch1][=N][\O][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL18375
|
[O-1][S+1][Branch2][Ring1][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][P]
|
CHEMBL18376
|
[C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][Branch1][C][C][C][O][C][Branch1][C][O][=C][Ring1][N][C][=Ring1][#C][C][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL18457
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][C@@H1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C@@H1][Ring1][S][O][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL18458
|
[C][C][C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][NH1][Ring2][Ring1][Branch1]
|
CHEMBL18308
|
[C][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][Branch1][C][C][C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][Ring1][N][C][=C][Ring2][Ring1][C]
|
CHEMBL18310
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][N][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=Ring1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL18391
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][#C][C][=N][O][C][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL18392
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch2][Ring1][Branch1][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][N][=C][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1]
|
CHEMBL18594
|
[N][C][C][Branch1][C][O][C][C][C][=C][C][C][Ring1][=Branch1]
|
CHEMBL18683
|
[O][=S][=Branch1][C][=O][Branch2][Ring2][Ring1][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]
|
CHEMBL18684
|
[C][C][Branch2][Ring1][O][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL4434802
|
[N][C@@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][N][Branch1][#Branch2][C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][C@@H1][Ring1][#C][C][C][C][B][Branch1][C][O][O]
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.