chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL10067
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#Branch1][C][N][Branch1][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][Ring2][Ring1][Ring2]
|
CHEMBL10068
|
[C][N][Branch2][Ring1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C@@H1][C][C][C][C][=C][Ring1][=Branch1][C][=C][C][C][=C][O][C][Ring1][=Branch2][=Ring1][Branch1]
|
CHEMBL10248
|
[C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][I][=N][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
|
CHEMBL10249
|
[C][C][N][Branch2][Ring1][#Branch1][C][=N][C][Branch1][C][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][=C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
|
CHEMBL10250
|
[C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][C][=C][Branch1][=C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][C][=C][Ring1][S][N][=C][Ring2][Ring1][Ring2][Ring2][Ring1][=Branch2]
|
CHEMBL10251
|
[O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=N][N][=N][NH1][Ring1][Branch1]
|
CHEMBL9951
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][O][C][C][N][C][C][C][Branch1][P][N][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][Ring1][S]
|
CHEMBL9952
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][O][C][C][N][C][C][C][Branch1][=C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring1][#C]
|
CHEMBL9953
|
[C][O][C][=C][C][=C][Branch1][P][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][=C][Ring1][S]
|
CHEMBL10027
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][#Branch1][C][N][Branch1][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][Ring2][Ring1][Branch1]
|
CHEMBL9970
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][Branch2]
|
CHEMBL10046
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][O][C][Branch1][Ring1][C][O][=C][C][Ring1][Branch2][=O]
|
CHEMBL10047
|
[C][C][C][C][C][C][C][Branch1][C][O][=N][O][C][=Ring1][=Branch1][C][C][Branch1][C][N][C][=Branch1][C][=O][O]
|
CHEMBL10048
|
[C][=C][C][N][C][C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][O][Ring1][=C]
|
CHEMBL10049
|
[C][C][C][O][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C]
|
CHEMBL10050
|
[O][=C][O][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1]
|
CHEMBL10069
|
[C][C][Branch2][Ring1][S][O][C][=Branch1][C][=O][C@H1][Branch1][S][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring2][Ring1][=Branch2][C][Ring1][Branch1]
|
CHEMBL10070
|
[C][O][C][=C][N][=C][Branch2][Ring2][C][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][Branch1][=C][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][=C][C][=C][Ring1][=N][NH1][Ring1][S][C][=C][Ring2][Ring1][=Branch2][O][C]
|
CHEMBL10071
|
[F][C][=C][C][=C][Branch2][Ring1][P][C@H1][O][C][=Branch1][C][=S][O][C@][Ring1][=Branch1][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL10147
|
[C][C][/C][=Branch2][Ring1][=C][=C][Branch1][=Branch2][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][C][=C][Ring1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL489
|
[C][C][/C][=Branch2][Ring1][P][=C][Branch1][N][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10252
|
[O][=C][O][C][Branch1][=C][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1]
|
CHEMBL10340
|
[C][C][=C][C][=C][N][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][I][O][C][=Branch1][C][=O][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
|
CHEMBL10341
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][O][Ring1][=C]
|
CHEMBL10342
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL86
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][N][C][=C][Ring1][Branch2][O][C]
|
CHEMBL74
|
[O][=C][Branch1][C][O-1][C][=C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][P][O][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][C][=O][C][Ring1][=C][=Ring1][#Branch2][C][=C][C][=C][Ring2][Ring1][#Branch2][O][Ring2][Ring1][#C].[Na+1].[Na+1]
|
CHEMBL1615357
|
[C][N][Branch1][C][C][C][C][C][N][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C][C][C@@][Ring1][S][Ring2][Ring1][Ring1][C]
|
CHEMBL10108
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][O][C][N][Branch1][C][C][C][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][C][C][C]
|
CHEMBL10109
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][N][Branch1][C][C][C][N][Branch1][C][C][C]
|
CHEMBL10051
|
[C][O][C][=Branch1][C][=O][C][C@@H1][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][=N][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][=Branch2]
|
CHEMBL10129
|
[C][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][S][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10132
|
[C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
|
CHEMBL81
|
[O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][P][Ring1][#Branch1]
|
CHEMBL10148
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][Branch1][=N][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][N].[Na+1]
|
CHEMBL10230
|
[N][#C][C][=C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][P][C][Branch1][C][O][=N][C][Ring2][Ring1][N][=C][Ring2][Ring1][S]
|
CHEMBL10231
|
[O][=C][Branch2][Ring1][=Branch1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]
|
CHEMBL96794
|
[C][N][Branch2][Ring2][=N][C][C@@H1][Branch2][Ring1][#Branch2][C][C][N][C][C][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S+1][Branch1][C][C][O-1][C][C][Ring1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1]
|
CHEMBL10345
|
[C][C][Branch1][C][C][O][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][P][=O]
|
CHEMBL10346
|
[C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][C][=C][Branch1][Branch1][C][Ring1][#Branch1][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][P]
|
CHEMBL10347
|
[C][O][C][=Branch1][C][=O][C@@H1][C@@H1][Branch1][C][O][C][C][C@@H1][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@H1][Ring1][=N][C][C@@H1][Ring1][P][Ring2][Ring1][=Branch1]
|
CHEMBL10110
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=N][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]
|
CHEMBL10114
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C@@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][Branch1][C][Ring2][Ring1][#Branch1][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][C][C][Ring2][Ring1][#C][Ring1][N][Ring2][Ring1][N]
|
CHEMBL10187
|
[C][C][N][Branch2][Ring1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C@@H1][C][C][C][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][Ring1][N]
|
CHEMBL10188
|
[C][C][C@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL1185315
|
[N][C][=Branch1][C][=O][C@H1][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][N][C][=Branch1][C][=O][C@H1][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][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][I][=C][C][Branch1][S][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=N][Ring1][#Branch1][=C][Ring1][=C]
|
CHEMBL10133
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][=C][C][=C][C][Branch1][C][I][=C][C][Ring1][#Branch1][=C][Ring1][N][O][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL10208
|
[C][C][N][Branch2][Ring1][#Branch2][C][=N][C][Branch1][C][C][=C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][Ring1][#C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
|
CHEMBL1163310
|
[N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][#Branch2][=Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C@@H1][Branch1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O]
|
CHEMBL10209
|
[C][O][C][=C][Branch1][C][C][C][=N][C][Branch2][Ring1][#Branch2][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][O][C][Branch1][C][C][=O][=C][Ring2][Ring1][Branch2][C]
|
CHEMBL10210
|
[C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring2][Ring1][Ring1][Ring1][S]
|
CHEMBL3310017
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C@@H1][Ring1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][N]
|
CHEMBL10232
|
[C][C][S][C][=C][C][=N][C][Branch2][Ring1][P][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch2][C]
|
CHEMBL10233
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL9992
|
[C][O][C][=C][N][=C][Branch2][Ring1][#C][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][N][NH1][Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2][O][C]
|
CHEMBL1163304
|
[N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][#Branch2][=Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][F][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O]
|
CHEMBL9993
|
[C][C][C][N][C][C][C][C@H1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C@H1][Ring1][#Branch2][Ring1][=C]
|
CHEMBL3310039
|
[O][=C][NH1][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][Ring1][O]
|
CHEMBL3310040
|
[C][O][C][=C][C][=C][N][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][NH1][C][=Branch1][C][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1]
|
CHEMBL10426
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL10510
|
[C][C][C][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][Ring1][#Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10511
|
[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][P][C][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Branch1][C][N][=O][C][=Branch1][C][=O][O].[N].[N]
|
CHEMBL10512
|
[C][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][S][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10189
|
[C][C][N][Branch2][Ring1][#C][C][=N][C][Branch1][C][C][=C][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
|
CHEMBL9954
|
[C][C@H1][Branch2][Ring1][C][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][O][C][P][=Branch1][C][=O][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10211
|
[O][=C][Branch1][C][O][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
CHEMBL9971
|
[C][C][C@@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL1163303
|
[C][C][C@H1][Branch2][Branch2][#Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O]
|
CHEMBL9972
|
[C][C][S][C][=C][C][=N][C][Branch2][Ring1][O][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][Cl][=C][Ring2][Ring1][Branch2][C]
|
CHEMBL9974
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][=N]
|
CHEMBL9994
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Ring1][Branch2][=C][Ring1][=N][O][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL9995
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][O][Ring1][=C]
|
CHEMBL9996
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][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][N][Ring2][Ring2][=Branch2]
|
CHEMBL10072
|
[O][=C][/C][=Branch1][#Branch2][=C][\C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1]
|
CHEMBL10073
|
[C][C][Branch1][C][C][N][C][/C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][\O]
|
CHEMBL10074
|
[C][C][/N][=C][Branch1][C][\N][N][C][C][=C][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]
|
CHEMBL10513
|
[N][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl]
|
CHEMBL10514
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][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][#C][Ring2][Ring2][N]
|
CHEMBL10253
|
[C][C][S][C][=C][C][=N][C][Branch2][Ring1][P][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][N][C]
|
CHEMBL10254
|
[O][=C][O][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1]
|
CHEMBL10255
|
[C][O][C][=C][C][=C][Branch2][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][C][O]
|
CHEMBL10256
|
[C][C][=C][C][Branch1][=Branch2][O][C@@H1][C][C][N][C][Ring1][Branch1][=C][N][=C][Ring1][N][Cl]
|
CHEMBL10258
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]
|
CHEMBL9955
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL9957
|
[C][=C][N][=C][C][Branch1][=Branch2][O][C@H1][C][C][N][C][Ring1][Branch1][=C][Ring1][N]
|
CHEMBL1784887
|
[O][=C][C][=C][N][Branch2][Branch1][P][C@@H1][O][C@H1][Branch2][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][P][O][C][=Branch1][C][=O][NH1][Ring2][Ring2][=Branch2]
|
CHEMBL1163301
|
[C][C@@H1][Branch2][N][#Branch2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1]
|
CHEMBL10030
|
[O][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][P][Ring1][#Branch1]
|
CHEMBL1182072
|
[C][C][Branch1][C][C][C][C][Branch2][Branch1][Ring1][N][C][C][N][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring2][Ring1][=C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring2][Ring2][=Branch2]
|
CHEMBL10052
|
[C][N][Branch2][Ring1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C@@H1][C][C][C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][Branch1]
|
CHEMBL10053
|
[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL10055
|
[O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][Branch1][N][C@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=N][N][=N][NH1][Ring1][Branch1]
|
CHEMBL10075
|
[C][O][C][=C][C][Branch2][Ring2][C][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][Branch1][=C][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][=C][C][=C][Ring1][=N][NH1][Ring1][S][=N][C][=C][Ring2][Ring1][=Branch2][C]
|
CHEMBL10076
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][=C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][=C][C][Ring1][S][=C][Ring2][Ring1][Branch1][O][C][=C][Ring2][Ring1][#C]
|
CHEMBL10077
|
[C][=C][Branch1][N][C][S][C][C][N][Branch1][Ring1][C][C][C][C][C@@H1][C][C][C@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][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][O][Ring2][Ring2][Branch2]
|
CHEMBL10078
|
[C][C][=Branch1][C][=O][O][C][N][C][Branch2][Ring1][C][S][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][C][S+1][Ring1][=Branch1][O-1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1]
|
CHEMBL10149
|
[C][C][S][C][=C][C][=N][C][Branch2][Ring1][P][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][N][C]
|
CHEMBL10150
|
[C][C][N][Branch2][Ring1][=Branch1][C][=N][C][Branch1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
|
CHEMBL10151
|
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL10343
|
[C][N][C][=Branch1][C][=O][C][C][C@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][C][Branch1][#C][C][C][C@@][Ring1][=Branch1][Branch1][C][O][C][#C][C][C][C][O][C][Ring1][P][C][C][C][Ring2][Ring1][O][Ring2][Ring1][=Branch1]
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.