chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL13604
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Ring2]
|
CHEMBL13605
|
[C][N][C][C@@H1][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@H1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][=Branch1]
|
CHEMBL13925
|
[C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL13926
|
[C][C][Branch1][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][Ring1][S]
|
CHEMBL13927
|
[C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][C][C][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL13928
|
[C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][#C]
|
CHEMBL13929
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S]
|
CHEMBL13950
|
[O][=C][Branch1][C][O][C][C][C][C][=C][C][=C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL13951
|
[C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][#C]
|
CHEMBL13952
|
[C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl]
|
CHEMBL14045
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][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]
|
CHEMBL14075
|
[C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][S][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL14165
|
[C][C][O][C][C][N][C][=Branch1][C][=O][NH1][C][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring2][Ring1][O][C][Ring2][Ring1][S][=O]
|
CHEMBL14167
|
[C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2]
|
CHEMBL14168
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL13701
|
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][O][C][O][Ring1][#Branch1]
|
CHEMBL13702
|
[C][C][Branch1][C][C][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][Ring2][Ring1][Ring2]
|
CHEMBL13703
|
[C][C][Branch1][C][C][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][F][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][Ring2][Ring1][Ring2]
|
CHEMBL13705
|
[N][C][=N][C][Branch1][C][N][=C][Branch2][Ring2][Branch1][C][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][NH1][Ring2][Ring1][=C]
|
CHEMBL13706
|
[Cl].[N][C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1]
|
CHEMBL14020
|
[C][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][C@@H1][C][C@@H1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=N][=Ring1][Branch1][C][C@H1][Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][Branch1]
|
CHEMBL4543319
|
[N][#C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O]
|
CHEMBL14021
|
[C][C][C][=Branch1][C][=O][O]
|
CHEMBL14022
|
[C][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C@H1][Ring1][N][N][Branch1][C][C][C][Ring1][P]
|
CHEMBL14025
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][NH1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL3309599
|
[C][N][C][C][N][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][Ring2][Ring1][=C]
|
CHEMBL14046
|
[C][/C][=C][/C][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Branch2][N][Ring1][Branch1][C][Ring1][P][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][O][C]
|
CHEMBL14048
|
[C][N][C][C@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C@H1][Ring1][N][Ring2][Ring1][#Branch2]
|
CHEMBL4543329
|
[C][O][C][=C][C][=C][Branch1][S][C][N][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring1][P]
|
CHEMBL4543330
|
[C][C][C][C][C][C][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][Ring1][=Branch2][=C][Ring1][=N][Br]
|
CHEMBL4543331
|
[C][C][O][C][=C][C][Branch1][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][=N][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][Branch1][#Branch2][C][C][S][C][=C][C][=Ring1][Branch1][C][C@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Ring1][P][C]
|
CHEMBL14049
|
[C][=C][N][=C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][=C][Ring1][O]
|
CHEMBL14051
|
[C][C@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][C][O][C@H1][Branch1][S][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][Branch2][=O][O][Ring1][#C][C@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N]
|
CHEMBL14052
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][=N][O][C][C][Ring1][Branch1][Branch1][C][C][C]
|
CHEMBL14143
|
[C][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=C][Branch1][#Branch2][N][C][C][N][C][Branch1][C][C][=O][C][=C][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][O][=O]
|
CHEMBL14169
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=N][O][C][C][Ring1][Branch1][Branch1][C][C][C]
|
CHEMBL14683
|
[C][C][=C][N][=C][Branch1][=N][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][O][Ring1][=N]
|
CHEMBL14255
|
[C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][N][C][C][Ring2][Ring1][#Branch2]
|
CHEMBL14257
|
[C][O][C][=Branch1][C][=O][C][C][C][C][C][Branch2][Ring1][Branch1][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][#Branch1][C][=C][Branch1][C][Br][Br][C][=C][Ring1][#Branch2][N][Ring1][P]
|
CHEMBL13798
|
[C][C][Branch1][C][C][C][C][N][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL13799
|
[C][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2].[Cl]
|
CHEMBL13801
|
[C][C][Branch1][C][C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][#N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][Ring2][Ring1][Branch1]
|
CHEMBL14115
|
[C][C][Branch1][C][C][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch2][C][Ring2][Ring1][Ring1][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL14116
|
[C][C][=Branch1][C][=O][C][C][C][C][C][C][C][=C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring2][Ring1][Ring1][Ring1][S][C]
|
CHEMBL14117
|
[C][O][C][C@H1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O]
|
CHEMBL14118
|
[C][C][N][Branch1][=C][C][C][Se][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][O][Ring1][P]
|
CHEMBL14119
|
[C][C][C][C][C][=Branch1][S][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=Branch1][C][=O][N][Ring1][O][Ring2][Ring1][#Branch2]
|
CHEMBL4543176
|
[C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][=N]
|
CHEMBL4543177
|
[C][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][C][C][C][=Ring1][=Branch1]
|
CHEMBL4543178
|
[C][C][N][Branch1][Ring1][C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][P][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][O][C][C][C][C][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring2][Ring1][C][O][C][=C][Ring2][Ring1][=N]
|
CHEMBL4543179
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][Branch2][C][=N][C][=C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C][C][C][Ring2][Ring1][N]
|
CHEMBL4543180
|
[C][C][C][=C][C][=N][C][Branch2][Ring1][Branch1][C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1][=C][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][C][=Ring2][Ring1][=Branch2]
|
CHEMBL4543181
|
[C][C][=C][N][=C][Branch2][Ring2][#Branch2][C][C][=N][C][=C][N][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Ring1][#Branch2][=C][Ring1][=C][N][Ring1][P][C@@H1][C][C][O][C@H1][Branch1][C][C][C][Ring1][#Branch1][C][=N][Ring2][Ring1][#C]
|
CHEMBL4543182
|
[C][C][=C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1]
|
CHEMBL4543183
|
[C][C][C][=N][N][Branch2][Ring1][S][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][=N][C][=Ring2][Ring1][Branch2]
|
CHEMBL14120
|
[C][O][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][O][C][Ring1][=N][=C][Ring1][P]
|
CHEMBL14121
|
[C][O][C][=C][C][=C][Branch2][Branch1][S][C][N][C][=Branch1][C][=O][NH1][C][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring2][Ring1][O][C][Ring2][Ring1][S][=O][C][=C][Ring2][Ring2][Branch2]
|
CHEMBL14144
|
[C][N][C][C][C][C][Ring1][Branch1][C][Branch1][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch1]
|
CHEMBL14145
|
[C][=C][C][=C][Branch1][Branch2][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][Ring1][O]
|
CHEMBL14146
|
[C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2]
|
CHEMBL14147
|
[C][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][Branch1][C][N][=O][C][Branch1][C][C][C]
|
CHEMBL14231
|
[C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL14579
|
[C][C][C][C][=C][Branch2][Ring2][=Branch2][O][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][C][#N][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring2][C][O]
|
CHEMBL14580
|
[C][=C][O][C][Branch1][=N][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][=C][Ring1][=N]
|
CHEMBL14581
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][P][C][C][N][Branch2][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][#Branch1]
|
CHEMBL14583
|
[C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][C][Branch1][C][O][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N]
|
CHEMBL14584
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][C][O][=C][C][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=N][Ring1][O][O][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL14319
|
[C][C][=C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][Branch1][Branch1][/C][=C][\C][O][=C][Ring2][Ring1][Ring1]
|
CHEMBL14514
|
[C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][O][C][=C][C][=C][C][=C][C][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][Ring1][N][=C][Ring1][S][C][=C][Ring2][Ring1][=C][Ring2][Ring1][#Branch2]
|
CHEMBL14603
|
[C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1]
|
CHEMBL14604
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][O][C][C][Branch1][=C][C][O][C][C][C][C][N+1][C][=C][S][C][=Ring1][Branch1][O][Ring1][S].[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2]
|
CHEMBL14605
|
[C][C][=C][S][C][=C][Ring1][Branch1][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Ring1]
|
CHEMBL14542
|
[O][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][#C][Ring1][=Branch1][O][C][O][Ring1][#Branch1]
|
CHEMBL14281
|
[C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][S][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL14282
|
[N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL1163486
|
[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][S]
|
CHEMBL14283
|
[Cl][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][C][C][C][C][C][C][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=N][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N]
|
CHEMBL14284
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][Ring1][Branch2][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL14300
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][=C][Ring2][Ring1][#C]
|
CHEMBL14301
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O][C][Branch1][C][C][C]
|
CHEMBL14302
|
[C][C][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]
|
CHEMBL14303
|
[O][=C][Branch1][#Branch2][N][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O]
|
CHEMBL14320
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][P][C][C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][P]
|
CHEMBL14321
|
[C][S][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2]
|
CHEMBL14322
|
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL14323
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][C][O][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C]
|
CHEMBL14324
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2]
|
CHEMBL14606
|
[C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][O]
|
CHEMBL14607
|
[O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1]
|
CHEMBL14345
|
[C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][N][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][N][C][C][Ring2][Ring1][#Branch2]
|
CHEMBL14346
|
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][Ring1][#Branch1]
|
CHEMBL14347
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch2][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][=Branch1][C][C][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][C][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O]
|
CHEMBL14285
|
[C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2]
|
CHEMBL14368
|
[C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Br][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][O]
|
CHEMBL14369
|
[C][C][=C][Branch2][Ring1][N][N][N][=C][C][C][C][Branch1][C][C][N][C][Ring1][#Branch1][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=N][C]
|
CHEMBL14370
|
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][C][O][Ring1][=Branch1]
|
CHEMBL14412
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][Ring1][Branch2][=N][Ring1][=N][=C][Ring2][Ring1][Ring1]
|
CHEMBL14388
|
[C][C][C][N][Branch1][Ring2][C][C][C][C@H1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][C@@H1][Ring1][N][C]
|
CHEMBL14389
|
[C][O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][N][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S]
|
CHEMBL14390
|
[N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][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.