chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL4294743
|
[C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Branch2][Branch1][O][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][=C][N][=C][Ring2][Ring1][Branch1][Ring2][Ring1][P][C][C][Ring2][Ring2][#Branch1]
|
CHEMBL4294744
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][C][Ring1][=C]
|
CHEMBL4294745
|
[C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][P][S]
|
CHEMBL4294746
|
[N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][N][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
CHEMBL4294817
|
[C][C][Branch2][Ring2][=Branch1][C][N][N][=C][C][=C][Branch1][=C][N][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Cl][N][=C][Branch1][Branch1][N][C][C][O][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4294818
|
[O][=C][C][=C][Branch2][Branch1][P][C][=C][C][=C][Branch2][Branch1][Branch1][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][Ring1][P][C][C][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][O][C][=C][Ring2][Ring2][#Branch2][O][C][=C][C][=C][C][=C][Ring2][Branch1][Ring2][Ring1][=Branch1]
|
CHEMBL4294819
|
[C][C][C][C@@H1][Branch1][C][C][N][C][=N][C][=C][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=C][=C][N][Branch1][N][C@H1][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][=C]
|
CHEMBL4294820
|
[C][C][=C][C][Branch2][Ring1][S][C][=N][C][=C][C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][C][N][O][C][Ring2][Ring1][C][=Ring1][=C][=C][C][=N][Ring2][Ring1][Branch2]
|
CHEMBL4294821
|
[C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring1][Ring2][C][N][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][N][=C][\C][C][C@@][Branch1][C][C][O][C@H1][Ring2][Ring1][=Branch2][Ring1][Ring2]
|
CHEMBL4294822
|
[C][S][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL4294823
|
[C][O][C][=C][C][=C][Branch2][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][O][C][N][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][=C][C][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=C][NH1][Ring1][P][C][=C][Ring2][Ring1][#Branch1][F][C][=C][Ring2][Ring1][S][C][=C][Ring2][Ring2][=Branch2][Br]
|
CHEMBL4294907
|
[C][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch1][P][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1]
|
CHEMBL4294908
|
[C][C][C][S][C][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][N][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=N][Ring2][Ring1][=Branch2]
|
CHEMBL4294909
|
[C][O][C][=C][C][=C][O][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Branch1][C][C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL4294910
|
[C][O][C][=C][C][Branch2][Ring2][Branch1][C][N][=C][Branch1][C][N][N][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][/C][Branch1][C][C][=N][\O][C][=C][Ring1][#Branch2][N][=Ring2][Ring1][Ring2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N][O][C]
|
CHEMBL4295002
|
[C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Branch2][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Ring1][O][Branch1][C][C][C][=Branch1][C][=O][O][C][C@@H1][Ring2][Ring1][Ring2][C][/C][=C][\C][=C][O][C][Ring1][Branch1][=O]
|
CHEMBL4295003
|
[C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][#C][C][=C][S][C][Branch2][Ring1][Branch1][C][=C][N][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N][=C][Ring1][P][C][=N][Ring2][Ring1][=Branch1]
|
CHEMBL4295004
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][O][C][Branch2][Branch1][Branch2][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][#Branch2][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1][F][C][Branch1][C][F][=C][Ring2][Ring1][#C][=N][C][Ring2][Ring2][Ring2][=C][Ring2][Ring2][Branch2]
|
CHEMBL4295005
|
[C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][S]
|
CHEMBL4295006
|
[C][C@][C][C@@][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O][C@@H1][Ring2][Ring2][=Branch1][C@H1][Branch1][#Branch2][C][C@H1][Ring2][Ring2][O][C][Ring2][Ring2][#Branch2][O][Ring2][Ring2][=N]
|
CHEMBL4295007
|
[C][C][=C][C][=C][O][C][Branch2][=Branch1][#Branch2][C][=C][C][=C][Branch2][Branch1][=C][O][C][C][C][C][C][=C][N][Branch2][Ring2][=C][C][C][O][C][C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][#C][=C][C][=Branch1][C][=O][C][Ring2][Branch1][=Branch1][=C][Ring2][Branch1][#Branch2]
|
CHEMBL4295008
|
[C][N][Branch1][C][C][C][C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][NH1][Ring2][Ring1][C]
|
CHEMBL4295091
|
[C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][C][C][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch1][C][C][Branch1][O][C][C][C][C][C][C][=Branch1][C][=O][O][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4295092
|
[C][C][Branch1][C][C][C][C][C][=C][Branch2][Ring2][Ring2][O][C][=C][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][C][Ring2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][=C][=O]
|
CHEMBL4295093
|
[C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2]
|
CHEMBL4295094
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Ring1][#Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl]
|
CHEMBL4295095
|
[O][=C][NH1][C][Branch1][=N][S][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1]
|
CHEMBL4295096
|
[O][=C][Branch1][S][N][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][S][Ring1][Branch2][N][C][=C][C][Branch1][C][F][=N][C][=C][Ring1][#Branch1][C][O]
|
CHEMBL4295097
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][=C][/C][=C][\C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][=Branch2][C][N][Ring1][N][C][Ring1][S][=O][C@@H1][Ring1][=C][Ring1][#Branch2][=C][N][Ring2][Ring1][=Branch2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL4295172
|
[O][=C][Branch2][Ring2][Branch1][O][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4295173
|
[Cl].[Cl].[Cl].[Cl].[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][O][C][C][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][N][C][Branch1][C][N][=C][Ring2][Ring1][Branch2]
|
CHEMBL4295174
|
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@H1][Ring1][#Branch2][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O]
|
CHEMBL4295175
|
[C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N][C][C][Ring1][Ring1]
|
CHEMBL4295253
|
[O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][N][Branch1][P][C][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][=N][Ring1][#C][=C][Ring2][Ring1][Branch1]
|
CHEMBL4295254
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][O][C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL4295255
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Branch2][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][Branch1][C][C][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@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][C][Branch3][Ring1][C][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][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][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][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][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][C][Branch2][#Branch2][S][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@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][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][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C]
|
CHEMBL4297084
|
[C][C][=C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]
|
CHEMBL4297253
|
[C][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=C][Branch1][C][Cl][C][Branch2][Branch1][=Branch1][O][C][=Branch1][C][=O][O][C@H1][C][C][C@@][Branch1][C][C][C][=Branch2][Ring1][P][=C][C][C@@H1][C@@H1][Ring1][#Branch1][C][C][C@@][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][Ring2][Ring1][O][=C][Ring2][Ring2][#Branch2][Cl]
|
CHEMBL4297369
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N]
|
CHEMBL4297371
|
[2H][C][Branch1][C][2H][Branch1][C][2H][C@H1][Branch1][C][O][C][Branch1][C][2H][Branch1][C][2H][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][N][Ring1][Branch1][C][N][Branch1][C][C][C][Ring1][N][=O]
|
CHEMBL4297375
|
[C][C][=C][N][=C][Branch2][Ring1][Ring1][C][S@@+1][Branch1][C][O-1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N-1][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][O][C][C][C][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][Branch2].[Na+1]
|
CHEMBL4297376
|
[C][C][=C][C][=C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][NH1][C][=C][Branch1][Ring1][C][#N][C][Ring2][Ring1][#Branch1][=Ring1][#Branch1]
|
CHEMBL4297377
|
[C][C][C][=Branch1][C][=O][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][Branch1][P][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][=C][Ring1][P][F][C][Branch1][C][Cl][=C][Ring2][Ring1][=N].[Na+1]
|
CHEMBL4297619
|
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring2][Ring1][C][Ring1][Branch1]
|
CHEMBL4297621
|
[C][C@@H1][Branch2][Ring1][O][N][C@H1][C][C][N][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][Ring1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL4297623
|
[N][C][=Branch1][C][=O][/C][=Branch2][Ring2][=Branch2][=C][/N][C][=N][C][Branch2][Ring1][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=N][Ring2][Ring1][Ring1][C][=C][N][=C][N][=C][Ring1][=Branch1]
|
CHEMBL4297625
|
[C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Ring1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1]
|
CHEMBL4293955
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][S][C][=N][N][=C][S][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][=N]
|
CHEMBL4293956
|
[C][N][C][=Branch1][C][=O][/C][=C][/C][=C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=Branch1][=Branch1][=C][Ring1][#C][O][C][O][C][O][Ring1][Branch2]
|
CHEMBL4293957
|
[O][=C][Branch2][Ring1][Ring2][C][C][C][C][C][N][Se][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][N][O]
|
CHEMBL4293958
|
[C][C][=Branch1][C][=O][O][C@@H1][C][C][C@@][Branch1][C][C][C@@H1][C][C][C@][Branch1][C][C][Branch1][Ring1][C][O][C][=C][Ring1][=Branch2][C][C][C@@H1][Ring1][=C][C][Ring2][Ring1][C][Branch1][C][C][C]
|
CHEMBL4294035
|
[C][N][Branch1][C][C][C@H1][C][C][C@H1][Branch1][#C][N][C][=N][C][=N][C][=C][S][C][=C][Ring1][=Branch2][Ring1][Branch1][C][C][Ring1][S]
|
CHEMBL4294036
|
[C][S][C][=C][C][=C][Branch1][Branch2][/C][=C][\N+1][=Branch1][C][=O][O-1][C][=C][Ring1][O]
|
CHEMBL4294037
|
[O][=C][Branch2][Ring1][=Branch2][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL4294038
|
[N][C][O][C][=C][Branch1][#C][C][=C][C][Branch1][C][F][=N][C][Branch1][C][F][=C][Ring1][Branch2][N][=C][C][=C][Ring1][=C][C][=Ring1][P][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL4294039
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][C][=C][Branch1][P][/C][=C][/C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][N][Ring2][Ring1][Branch1][Ring1][=Branch1][C][=C][Ring2][Ring1][O][O][C]
|
CHEMBL4294113
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][P][C][=C][C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2][F][=N][O][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL4294114
|
[C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL4294115
|
[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][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S]
|
CHEMBL4294116
|
[C][C][Branch1][C][O][C@@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C@][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4294117
|
[C][C][C][C][=Branch1][C][=O][C][=C][Branch1][Ring2][C][Ring1][#Branch1][N][C][=C][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Ring1][#C][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][Ring1][Branch2][C]
|
CHEMBL4294199
|
[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring2][N][C][=C][C][Branch1][C][Cl][=C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][C][C][=C][Ring2][Ring1][=N]
|
CHEMBL4294200
|
[O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][N]
|
CHEMBL4294201
|
[N][#C][/C][=Branch1][S][=C][\C][=C][N][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL4294202
|
[C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][Branch1][C][O][C][N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][O][Ring2][Ring1][=Branch1]
|
CHEMBL4294300
|
[N][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][N][=N][N][Ring1][#C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
|
CHEMBL4294301
|
[C][O][C][C@H1][Branch1][C][C][N][C@H1][C][C][C@H1][Branch2][Ring2][Ring2][N][C][=C][C][Branch2][Ring1][Ring2][C][=C][S][C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][O]
|
CHEMBL4294302
|
[N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][C][=C][C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][C][N][O][C][Ring2][Ring1][Ring1][=Ring1][#C][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL4294303
|
[C][=C][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C@][C][Branch1][Branch1][C][Ring1][=Branch1][=O][C@@H1][Branch1][Ring1][O][C][C@@H1][C][C@H1][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][O][C@@][Ring1][#C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][Ring1][=C][=O]
|
CHEMBL4294304
|
[C][O][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][#C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring2][Ring1][=N][C][C][N][C][Branch1][C][C][=O]
|
CHEMBL4294305
|
[C][=C][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C][C][C@@H1][Branch2][Ring1][#C][O][Si][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=C][C@@H1][Ring2][Ring1][#Branch2][C][C@H1][Ring2][Ring2][C][Ring2][Ring1][=C]
|
CHEMBL4294389
|
[C][O][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][=C][C][=C][Ring1][O][O][Ring1][S][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL4294390
|
[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][C][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1][O][C]
|
CHEMBL4294391
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][Branch2][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][S][/C][=Branch2][Ring1][Branch2][=C][\C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][Ring1][N][C][C][Ring2][Ring2][#Branch1]
|
CHEMBL4294392
|
[C][O][C][=Branch1][C][=O][C@@][Branch1][C][C][C][=Branch1][C][=O][/C][=Branch1][#Branch1][=C][/C][=Branch1][C][=O][O][C][C@@][Branch1][C][C][C@H1][Ring1][=N][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch1][C][C][C][C][C@][Ring1][=N][Ring2][Ring1][Ring1][C]
|
CHEMBL4294393
|
[F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=C][C][=C][C][=C][N][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][O][Ring1][=C]
|
CHEMBL4294394
|
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][O][Ring1][=N][N][=Ring2][Ring1][Branch1]
|
CHEMBL4294478
|
[C][C][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][Ring2][Ring1][Branch1]
|
CHEMBL4294479
|
[C][C][C][=C][C][=C][Branch2][Ring1][P][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][N][C][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][S][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4294480
|
[C][#C][C][=C][C][Branch2][Ring1][N][N][C][=C][Branch1][C][N][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][Ring1][S][Ring1][N][=C][C][=C][Ring2][Ring1][#Branch1][F]
|
CHEMBL4294481
|
[C][C@H1][Branch2][Ring1][#Branch1][O][C][=C][N][=C][C][Branch1][N][C][=C][C][=C][Branch1][Ring1][C][#N][S][Ring1][#Branch1][=C][Ring1][=N][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][Cl]
|
CHEMBL4294570
|
[C][N][Branch1][C][C][C][C][N][Branch2][Ring1][=Branch2][C][C][C][C][C][N][Branch1][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Branch1][C][O][C][Ring1][#Branch1][=N][Ring1][O]
|
CHEMBL4294572
|
[C][C@H1][C@@H1][Branch1][C][N][C@H1][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl]
|
CHEMBL4294573
|
[C][=C][C][C][C@@H1][C@][Branch1][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][C@@][Ring2][Ring1][Branch1][Branch1][C][C][C@@H1][Ring2][Ring1][#Branch2][/C][=C][/C][=C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL4294574
|
[C][C@@H1][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][#Branch2][C][C][C][Ring1][Ring1]
|
CHEMBL4294575
|
[N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Ring1][=Branch2]
|
CHEMBL4294658
|
[C][C][=C][C][=C][O][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]
|
CHEMBL4294659
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][Ring2][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][=C][N][=C][Ring2][Ring1][Ring1][NH1][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N]
|
CHEMBL4294660
|
[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring1][N][=C][Ring2][Ring1][Branch1][=C][C][=C][Ring2][Ring1][S][Ring2][Ring1][N]
|
CHEMBL4294661
|
[C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@H1][Ring1][#Branch2][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C]
|
CHEMBL4294662
|
[C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][P][=Branch1][C][=O][Branch2][Ring1][#Branch2][O][C][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][O][C][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N]
|
CHEMBL4294663
|
[O][=C][Branch1][C][O][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][P][=Branch1][C][=O][Branch1][C][O][O]
|
CHEMBL4294747
|
[F][C][Branch1][C][F][Branch1][C][F][C][NH1][N][=N][C][=Ring1][Branch1][C][=C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][N][Branch1][P][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=N][Ring1][P][=C][Ring2][Ring1][#Branch1]
|
CHEMBL4294748
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch2][Ring1][N][=C][/C][NH1][N][=C][C][=Ring1][Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][=N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2]
|
CHEMBL4294749
|
[C][O][C][=N][S][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C]
|
CHEMBL4294750
|
[C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][C][C@@H1][C@][Ring1][O][Branch1][C][C][C][C][C][C@@][Ring1][#Branch1][Branch1][C][C][C][N]
|
CHEMBL4294824
|
[C][N][C][N][C][C][C][N][C][C][C][C][=Branch1][Ring2][=N][Ring1][N][C][Ring1][#Branch1][Ring1][O]
|
CHEMBL4294825
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][C][=C][C][=C][C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][=C][C][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][N]
|
CHEMBL4294826
|
[N][#C][C][Branch2][Branch1][N][C][=C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C@@H1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][C][=C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][Branch2][=C][C][=N][Ring2][Ring1][#C][C][C][Ring2][Ring2][C]
|
CHEMBL4294827
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][#Branch1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][C][C][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][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@H1][C][N][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][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][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch2][O][Branch1][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@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][#Branch1][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][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][Branch1][C][C][=O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.