chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL8444
|
[C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C]
|
CHEMBL8531
|
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][O][=O][C][Ring2][Ring2][=Branch2][=O].[Br-1].[Br-1]
|
CHEMBL8533
|
[C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][=C]
|
CHEMBL8534
|
[C][=C][=C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2]
|
CHEMBL3309355
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][O][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL8459
|
[C][C][N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][S][Ring2][Ring1][P][=Branch1][C][=O][=O][O][C][C][O][Ring1][O]
|
CHEMBL8461
|
[C][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O]
|
CHEMBL8462
|
[C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][O][/C][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C]
|
CHEMBL8463
|
[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL8464
|
[C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C]
|
CHEMBL9112
|
[O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL488
|
[C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=C][=O]
|
CHEMBL9113
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL9114
|
[C][C][O][C][=Branch1][C][=O][C][=N][O][C@][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C@H1][Ring1][=Branch2][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C@@H1][Branch1][C][O][C][C@@][Ring1][P][Ring2][Ring1][Branch2][C]
|
CHEMBL9115
|
[O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL8833
|
[C][C][C][C][C@@H1][Branch2][Branch1][=Branch1][C][C@@H1][Branch2][Ring1][O][C][C][C][=C][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring1][=C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL9408
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][N][O][P][=Branch1][C][=O][Branch2][Ring1][C][O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=C][Ring2][Ring1][S].[Cl]
|
CHEMBL9409
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL9410
|
[C][C][C][C][C][N][C][=N][C][=C][Branch2][Ring1][Branch1][C][#C][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][C][C][N][=C][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][=Branch2]
|
CHEMBL8787
|
[C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][#Branch2][/C][=C][/C][=C][C][=C][S][Ring1][Branch1][=C][C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C][O]
|
CHEMBL8789
|
[C][C][C][C][N][C][=Branch1][C][=O][NH1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][Ring1][S][=O]
|
CHEMBL8790
|
[C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][C]
|
CHEMBL8791
|
[C][O][C][C][O][C][C][O][C][C][C][C][C][N+1][Ring1][Branch1][Branch1][C][C][C].[I-1]
|
CHEMBL9091
|
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][S][C@@H1][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][N][C@@H1][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][Ring1][=C][O][C][C][O][Ring1][#C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL8811
|
[C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][S][C][Ring1][Branch1][=O]
|
CHEMBL8812
|
[C][C][=C][N][Branch2][Ring1][=Branch2][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][=N][Ring2][Ring1][Branch1]
|
CHEMBL8813
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring1][O]
|
CHEMBL8834
|
[C][C][Branch1][C][C][=C][C][C@@H1][Branch1][Branch2][O][C][=Branch1][C][=O][C][Cl][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL8836
|
[C][C][O][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][C][Branch1][C][C][C]
|
CHEMBL8837
|
[C][O][C][=C][C][Branch2][Ring1][S][C@@H1][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][N][C@H1][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][Ring1][=C][O][C][C][O][Ring1][#C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2][O][C]
|
CHEMBL8838
|
[C][C][C@H1][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@@H1][Branch1][#Branch2][C][C][N][Branch1][C][C][C][C][O][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][C][=C][/C@@H1][Ring2][Ring2][=Branch2][C]
|
CHEMBL8839
|
[N][C@@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][S][C@H1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][=Branch1][Ring1][N]
|
CHEMBL4553130
|
[N][#C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][N][=C][Ring2][Ring1][C]
|
CHEMBL4553131
|
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring2][#Branch2][C][=C][N][C][=C][C][Branch2][Ring1][Branch2][N][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N][=N][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C][Br]
|
CHEMBL4553132
|
[C][O][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][=C][Ring2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1]
|
CHEMBL4553133
|
[C][C][C][N][=C][Branch1][=N][C][=C][N][=C][Branch1][Ring1][O][C][C][=N][Ring1][Branch2][N][Branch2][Ring1][=C][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][N][=Ring2][Ring1][S]
|
CHEMBL4553134
|
[O][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][#Branch1][Ring1][N]
|
CHEMBL8932
|
[C][C][=N][N][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]
|
CHEMBL8933
|
[C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][=N][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Branch2][C][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][C@H1][Branch2][Ring1][Ring1][C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL9140
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C][C][C][F]
|
CHEMBL9142
|
[O][=C][Branch2][Ring1][C][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][C][C][Ring1][Ring2]
|
CHEMBL9143
|
[C][#C][C][N][Branch1][C][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
|
CHEMBL8884
|
[C][C][C][C][C][C][C][C][Ring1][Ring1][C][C][C][C][Ring1][Ring1][C][C][C][C][Ring1][Ring1][C][C][C][C][Ring1][Ring1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL8885
|
[O][=C][Branch1][=N][N][C][C][C][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1]
|
CHEMBL1163250
|
[O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring2][C]
|
CHEMBL8886
|
[C][N][N][=N][N][=C][Ring1][Branch1][C][Branch2][Ring1][C][/C][=C][/C][Branch1][C][O][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O-1][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1].[Na+1]
|
CHEMBL8814
|
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL8815
|
[C][N][C][C][=C][Branch2][Ring2][Ring1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][O][C][Ring2][Ring1][Ring1][=Ring1][=N][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL8911
|
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][C][C@@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL8912
|
[O][=C][Branch1][=N][N][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2]
|
CHEMBL8934
|
[C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][N][=N][Ring1][#Branch1][N][=C][Branch1][P][C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][Ring2][Ring1][Ring1]
|
CHEMBL8935
|
[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][=C][C][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL8937
|
[C][C][Branch1][C][C][=C][C][C@@H1][Branch2][Ring2][Ring1][O][C][=Branch1][C][=O][/C][=C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL9117
|
[C][C][C@H1][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@@H1][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][C][=C][/C@@H1][Ring2][Ring2][#Branch1][C]
|
CHEMBL9026
|
[C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring2][=Branch1][N][C][Branch2][Ring1][Ring1][C][C][C][=C][NH1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O][=C][Ring2][Ring1][=N]
|
CHEMBL9230
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][S]
|
CHEMBL9232
|
[C][S+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL9233
|
[C][C][=C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]
|
CHEMBL9234
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][O][C][C][=C][Branch2][Ring1][Ring1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][N][Branch1][C][C][N][Ring2][Ring1][Ring2][C][C][=C][Ring2][Ring1][=N]
|
CHEMBL8888
|
[C][C][C][C][C@@H1][Branch2][Branch1][Branch2][C][C@@H1][Branch2][Ring1][=N][C][C][C][=C][C][=C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL8978
|
[C][C][C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][O][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
CHEMBL8979
|
[C][O][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][=N][Ring2][Ring1][Ring1]
|
CHEMBL8980
|
[C][N][C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][=Branch2][C][C@H1][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][#C]
|
CHEMBL8913
|
[C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=C]
|
CHEMBL8914
|
[C][C][C][C][C@@H1][Branch2][Branch1][=Branch1][C][C@@H1][Branch2][Ring1][O][C][C][C][=C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][S][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL8915
|
[C][C][=C][N][Branch2][Ring1][Ring2][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][C]
|
CHEMBL58
|
[O][=C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][Branch1][Branch2][N][C][C][N][C][C][O][C][=C][C][Branch1][Branch2][N][C][C][N][C][C][O][=C][Ring2][Ring1][Ring2][Ring2][Ring1][#C]
|
CHEMBL9002
|
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL9027
|
[C][C][=N][N][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][=Branch1][C][=O][O]
|
CHEMBL9028
|
[C][C][C][C][C@@H1][Branch2][Ring2][P][C][C@@H1][Branch1][S][C][C][C][=C][C][=C][Branch1][Ring2][C][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL9029
|
[C][C][=Branch1][C][=O][O][C][C@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][C][Ring1][Branch2][C@H1][Branch1][C][O][C][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Branch1][C][C][C][C][C@][Ring1][N][Ring2][Ring1][C][C][Ring1][=Branch1]
|
CHEMBL9116
|
[C][N][C][=Branch1][C][=O][O][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C]
|
CHEMBL9118
|
[C][C][C@H1][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@@H1][Branch1][#Branch2][C][C][N][Branch1][Ring1][C][C][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C@][Branch1][C][C][O][C@H1][Ring1][Ring2][C@@H1][Ring2][Ring2][#Branch2][C]
|
CHEMBL9323
|
[O][=C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@H1][Ring2][Ring1][Ring1][O]
|
CHEMBL9324
|
[C][C][N+1][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][C]
|
CHEMBL8981
|
[C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring2][Ring1]
|
CHEMBL9070
|
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][Branch1][C][F][Branch1][C][F][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][=N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][Branch1][C][F][Branch1][C][F][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][=N][C][=Branch1][C][=O][O]
|
CHEMBL9071
|
[C][C][Branch1][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O].[Br-1].[Br-1]
|
CHEMBL9072
|
[C][C][C][C][C][C][C][Branch2][=Branch1][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][C][C][C][=Branch2][Ring2][Ring2][=C][C][C][C][Ring1][#Branch1][C][C][C][Branch1][C][C][C][Branch1][=N][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][C][Ring2][Ring1][C][Ring1][=C][C][Ring2][Ring1][O][O][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][C][C][Cl]
|
CHEMBL9073
|
[O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL9074
|
[C][C][C][C][C@@H1][Branch2][Branch1][Ring2][C][C@@H1][Branch2][Ring1][=Branch2][C][C][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][=C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL9004
|
[C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C]
|
CHEMBL9005
|
[O][=C][Branch1][O][N][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1]
|
CHEMBL9093
|
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][F][F]
|
CHEMBL9095
|
[C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][O][C][C][=Branch1][C][=O][N][C][C][N][=C][Branch1][C][S][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch2][NH1][C][=Ring2][Ring1][#C][N][Branch1][Ring2][C][C][C][C][Ring2][Ring2][#Branch1][=O]
|
CHEMBL9119
|
[C][O][C][=C][C][=C][Branch2][Ring2][#C][C@@H1][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][N][Ring1][P][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][S]
|
CHEMBL9120
|
[O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][I][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL9121
|
[N][=C][Branch1][Branch1][N][C][C][O][C][=C][C][=C][Branch2][Ring1][S][N][C][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][/C][Branch1][C][N][=N][/C][C][O][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL9123
|
[O][=C][C][C][N][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=Branch1][C][=O][N][Ring2][Ring1][C]
|
CHEMBL8840
|
[C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=C]
|
CHEMBL9328
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C][C][C][C][F]
|
CHEMBL9329
|
[C][=C][C][=C][Branch2][Ring2][Branch1][C][C][C][N][C][C][C][Branch2][Ring1][=Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=C]
|
CHEMBL9330
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][N][C][C][C][Branch2][Ring1][=Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL9331
|
[C][O][C@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][Ring1][O][C][C@H1][Ring1][=Branch2][N]
|
CHEMBL9332
|
[O][=C][Branch2][Ring2][O][N][C][=C][C][=C][Branch2][Ring1][=C][C][C@H1][Branch2][Ring1][Ring2][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][C][C][Ring1][Ring1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=Branch1][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL9076
|
[C][O][C][C][O][C][C][O][C][C][N+1][Branch1][C][C][C][C][C][C][Ring1][=Branch1].[I-1]
|
CHEMBL8793
|
[O][=C][Branch2][Ring1][=Branch1][N][C][C][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1]
|
CHEMBL8794
|
[C][C][Branch1][C][C][=C][C][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O]
|
CHEMBL8795
|
[C][C][=C][N][Branch2][Ring1][Ring1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][=N][Ring1][P]
|
CHEMBL8796
|
[N][#C][N][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=C]
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.