chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL4286605
|
[N][#C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O]
|
CHEMBL4286606
|
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][=C][O][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][=N]
|
CHEMBL4286687
|
[C][O][C][=C][Branch1][Branch1][/C][=C][/C][O][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring2][Ring1][Ring1][O][C][C][O][Ring1][=Branch1]
|
CHEMBL4286688
|
[O][=C][C][=Branch1][C][=O][N][Branch2][Ring2][S][C][C][C][N][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Branch1]
|
CHEMBL4286689
|
[C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch2][C][S][C][=Branch1][C][=S][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring2][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4286690
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][N][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][P]
|
CHEMBL4286691
|
[O][=C][Branch1][C][O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O]
|
CHEMBL4286692
|
[O][=C][Branch2][Ring1][=Branch2][N][C][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][S][Ring1][=N][C][C][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2]
|
CHEMBL4286768
|
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1]
|
CHEMBL4286769
|
[C][S][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][C][=C][N][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][O]
|
CHEMBL4286770
|
[C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][O][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C]
|
CHEMBL4286771
|
[C][C][O][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring2][Cl]
|
CHEMBL4286772
|
[O][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1]
|
CHEMBL4286844
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][N][C][=Ring1][#C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL4286845
|
[C][C][Branch1][C][C][C@@H1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][/C][=Branch2][Ring1][#Branch1][=N][/N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][Ring2][Ring1][Branch1]
|
CHEMBL4286846
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring1][P]
|
CHEMBL4286847
|
[C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1]
|
CHEMBL4286924
|
[O][=C][Branch2][Ring1][Ring2][N][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4286925
|
[O][C@H1][C@@H1][O][C@H1][O][C@H1][Branch2][Ring1][=Branch1][C][N][C][=C][Branch1][N][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring1][=C][C@@H1][Branch2][P][C][O][C@H1][O][C@H1][Branch2][Ring1][=Branch1][C][N][C][=C][Branch1][N][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring1][=C][C@@H1][Branch2][=C][=Branch2][O][C@H1][O][C@H1][Branch2][Ring1][=Branch1][C][N][C][=C][Branch1][N][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring1][=C][C@@H1][Branch2][O][S][O][C@H1][O][C@H1][Branch2][Ring1][=Branch1][C][N][C][=C][Branch1][N][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring1][=C][C@@H1][Branch2][=Branch2][#Branch1][O][C@H1][O][C@H1][Branch2][Ring1][=Branch1][C][N][C][=C][Branch1][N][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring1][=C][C@@H1][Branch2][=Branch1][=C][O][C@H1][O][C@H1][Branch2][Ring1][=Branch1][C][N][C][=C][Branch1][N][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring1][=C][C@@H1][Branch2][Ring2][Branch1][O][C@@H1][Branch2][Ring1][O][O][C@@H1][Ring2][=Branch2][=N][C][N][C][=C][Branch1][N][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring1][=C][C@@H1][Ring2][#Branch2][=C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][O][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][Ring1][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch1][O][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch2][Ring1][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch2][O][O][C@H1][Branch1][C][O][C@H1][Ring2][N][Ring1][O]
|
CHEMBL4286926
|
[C][C][O][C][=Branch1][C][=O][/C][=C][\C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][=C][Ring2][Ring1][O]
|
CHEMBL4286927
|
[O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][N][S][C][C][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][#C][C][=N][N][Ring1][Branch1][C][C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][Ring1]
|
CHEMBL4286928
|
[C][C][=C][C][Branch2][Ring1][N][C][=C][C][=C][C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][N][S][C][Ring1][P][=Ring1][=N][=C][C][=N][Ring2][Ring1][#Branch1]
|
CHEMBL4286929
|
[C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][S][C][C][=Branch1][C][=O][O]
|
CHEMBL4286930
|
[C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][N][C][=Branch1][C][=O][N][Ring1][=C]
|
CHEMBL4287016
|
[C][N][N][=C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][C][F][=C][Ring2][Ring1][Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][#C]
|
CHEMBL4287017
|
[C][O][C][=C][C][Branch2][Ring2][#Branch1][C][C][C][Branch2][Ring1][N][C][=C][Branch1][C][C][N+1][Branch1][C][O-1][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][C][Ring1][Branch2][=N+1][Ring1][=C][O-1][=N][N][Ring2][Ring1][Ring2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N][O][C]
|
CHEMBL4287018
|
[F][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1]
|
CHEMBL4287099
|
[F][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=N][Ring1][O][N][=C][N][Ring1][S][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][O]
|
CHEMBL4287100
|
[O][=C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][N][=C][C][Branch1][#C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Ring1][S][S][Ring2][Ring1][Branch1]
|
CHEMBL4287101
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C][C][=C][Ring2][Ring1][O]
|
CHEMBL4287102
|
[C][C][C][C][C][C][=C][N][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][N][=Ring1][=C]
|
CHEMBL4287103
|
[O][=C][Branch2][Ring1][Branch1][N][/N][=C][/C][=C][C][=C][N][Ring1][Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][#C][O][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][C][F][=C][Ring1][P]
|
CHEMBL4287187
|
[C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][S][C][=C][C][=Ring1][Branch1][Ring1][O][=C][Ring2][Ring1][Branch1]
|
CHEMBL4287188
|
[C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][N][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL4287189
|
[C][O][C][=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][Ring2][Ring1][=Branch2]
|
CHEMBL4287190
|
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O]
|
CHEMBL4287271
|
[C][C][=C][C][=C][C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][O][C][Ring1][S][=Ring1][N]
|
CHEMBL4287272
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][#C]
|
CHEMBL4287273
|
[C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1]
|
CHEMBL4287274
|
[C][C][Branch1][C][C][C][C][C@][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring2][#Branch2][C][C][C@@H1][C@@][Branch1][C][C][Branch1][Ring2][C][C][#N][C@H1][Branch1][P][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][C][C@][Ring2][Ring1][C][Ring2][Ring1][#Branch1][C][C@H1][Ring2][Ring1][N][C@H1][Ring2][Ring1][P][O][C][Ring2][Ring1][#C]
|
CHEMBL4287275
|
[C][C][C][S][C][=C][C][=C][NH1][C][Branch1][P][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][O][C][Ring1][Branch1][=N][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
|
CHEMBL4287276
|
[Br][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][=C][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4287350
|
[N][C][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][=Ring2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL4287351
|
[C][C][=Branch1][C][=O][O][C@H1][C][C][C@@H1][C@@H1][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][O][C@@H1][Ring1][Ring1][C][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][S][C][C][C@][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2][C]
|
CHEMBL4287352
|
[O][=C][Branch2][Ring1][=Branch1][N][/N][=C][/C][C][C][/C][=N][/N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
CHEMBL4287353
|
[C][C][C@@H1][Branch2][Branch1][#C][/C][=C][Branch1][C][\C][C@H1][C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][O][C][C][C@@H1][C][C@H1][Branch1][Ring1][O][C][C@H1][Branch1][C][O][C@@][Branch1][C][O][Branch1][Ring2][O][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][C][O][C][C@@H1][Branch1][Ring1][O][C][C][Ring2][Ring1][=C][C][O]
|
CHEMBL4287354
|
[C][O][C][=C][C][Branch2][Branch1][=Branch2][/C][=C][/C][C][=C][Branch2][Ring2][N][/C][=C][/C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][NH1][N][=Ring2][Ring1][=C][=C][C][=C][Ring2][Ring2][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
|
CHEMBL4287432
|
[O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][=N][C][=C][N][Branch2][Ring1][Ring1][C][C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][C][=N][Ring1][P][=C][Ring2][Ring1][#Branch1]
|
CHEMBL4287433
|
[O][=C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][S][C][Ring1][N]
|
CHEMBL4287434
|
[C][C][=C][C][Branch1][C][O][=C][Branch1][P][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring2][Ring1][C]
|
CHEMBL4287435
|
[O][=C][Branch1][C][O][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][P][=Branch1][C][=O][Branch1][C][O][O]
|
CHEMBL4287436
|
[O][=C][Branch2][Ring1][=N][/C][=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][Ring1][S][N][O][C][C][=C][C][=C][C][Branch1][=Branch1][B][Branch1][C][O][O][=C][Ring1][=Branch2]
|
CHEMBL4287518
|
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=N][C][C][N][C][Branch1][Ring1][C][O][C][=C][C][=C][Branch1][C][O][C][NH1][C][=Branch1][C][=O][C][=C][C][Ring1][N][=Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL4287519
|
[C][N][N][=C][Branch2][Ring1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][=N]
|
CHEMBL4287520
|
[C][C][C][N][C][=Branch1][C][=O][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL4287521
|
[C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][Ring1][=C][/C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][O][Ring1][O][C][=Branch1][C][=O][N][C][Ring2][Ring1][Ring2][=S]
|
CHEMBL4287522
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][C][Branch1][C][C][C]
|
CHEMBL4287607
|
[C][C][Branch1][C][C][Branch1][Ring1][C][O][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=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][O]
|
CHEMBL4287608
|
[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring2][C][O][C@H1][C][O][C@][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][N][C][C][Ring2][Ring2][C]
|
CHEMBL4287609
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=C][Ring1][#C]
|
CHEMBL4287610
|
[C][C][C][C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][S][C][=C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][=C][N][Ring1][O][Ring2][Ring1][=N]
|
CHEMBL4287701
|
[C][C][O][C][=C][C][=C][Branch2][Ring2][Branch2][N][N][=N][C][=N][NH1][C][Branch2][Ring1][=Branch1][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][Ring1][S][C][Ring2][Ring1][Ring2][=O][C][=C][Ring2][Ring1][O]
|
CHEMBL4287702
|
[C][O][C][=C][C][Branch2][Ring2][Ring1][N][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N+1][Branch1][C][O-1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N+1][Ring1][N][O-1][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][S]
|
CHEMBL4287703
|
[O][=C][Branch2][Ring1][Branch2][C][C][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Br][O][Ring1][=N][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][F]
|
CHEMBL4287704
|
[N][C][=N][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=N][NH1][C][Ring1][Branch1][=N][Ring1][S]
|
CHEMBL4287705
|
[C][C@H1][C@H1][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][#Branch1][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][C@@H1][Branch1][#C][O][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][C@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][Branch1][C][C][C@][Ring2][Ring1][=Branch2][Ring2][Ring1][#C][C][C@H1][Ring2][Ring2][#Branch2][Ring2][Ring2][Branch1]
|
CHEMBL4287788
|
[C][C][C][C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
|
CHEMBL4287789
|
[N][C][O][C][=C][Branch1][C][F][N][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Ring1][O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL4287790
|
[C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O]
|
CHEMBL4287791
|
[C][C@@H1][Branch2][Ring2][Ring2][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=N][Ring1][#Branch1][=N][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1]
|
CHEMBL4287868
|
[C][#C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
|
CHEMBL4287869
|
[C][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][N][Branch1][N][C][C][C][C][N][Branch1][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2]
|
CHEMBL4287870
|
[C][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring2][Ring1][C]
|
CHEMBL4287871
|
[O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O]
|
CHEMBL4287954
|
[N][#C][C][=C][C][=C][Branch2][Ring2][Ring2][O][C][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL4287955
|
[F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][#C][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL4287956
|
[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][P][/C][=N][/N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C]
|
CHEMBL4287957
|
[O][=C][C][Branch1][C][O][=C][C][=C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][Ring2][Ring1][N]
|
CHEMBL4287958
|
[C][O][C][=C][C][=C][Branch2][Branch1][C][C][=N][C][Branch2][Ring1][O][/C][=C][/C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring2][Ring1][O][C]
|
CHEMBL4288033
|
[C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][=C][C][Branch1][S][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch1][=N][C][Branch1][P][N][C][Branch1][C][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring2][Ring1][#Branch1]
|
CHEMBL4288034
|
[C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][N][=C][N][Ring1][=C][C][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL4288035
|
[O][=C][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][NH1][C][=Branch1][C][=O][N][Ring1][#C][O]
|
CHEMBL4288036
|
[C][S][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=C][Ring1][#C]
|
CHEMBL4288123
|
[O][=C][Branch2][Ring1][N][N][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O]
|
CHEMBL4288124
|
[O][=C][Branch1][C][O][C][C][C][O][C][=C][C][Branch1][P][O][C][C][C][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1]
|
CHEMBL4288125
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL4288126
|
[O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch2][Ring1][Branch2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]
|
CHEMBL4288206
|
[C][N][C@H1][C][C@H1][C@@H1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C@@][Ring1][O][Branch1][C][C][C][C][C@@H1][Ring1][S][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][C@H1][Ring2][Ring1][#Branch2][Ring1][Branch2]
|
CHEMBL4288207
|
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][P@][=Branch1][C][=O][Branch2][Ring1][S][O][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C@@][Branch1][C][F][Branch1][Ring1][C][F][C@@H1][Ring1][S][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4288208
|
[O][=N+1][Branch1][C][O-1][C][=C][C][Branch2][Ring1][S][N][C][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][Ring1][P][=C][C][=C][Ring2][Ring1][Branch2][C][O]
|
CHEMBL4288209
|
[C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C@H1][Branch1][Ring2][C][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Branch1][=C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=O][N][Ring2][Ring1][P]
|
CHEMBL4288210
|
[N][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Branch2][Ring2][Ring2][C][=N][C][Branch1][N][N][C][C@H1][C][C@@H1][Ring1][Branch1][C][O][Ring1][Branch1][=N][C][Branch1][N][N][C][C@H1][C][C@@H1][Ring1][Branch1][C][O][Ring1][Branch1][=N][Ring2][Ring1][Ring2][C][=N][Ring2][Ring1][=N]
|
CHEMBL4288295
|
[C][O][C][=C][C][=C][Branch1][#C][/C][=C][/C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][O]
|
CHEMBL4288296
|
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][N][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][Ring2][Ring1][C]
|
CHEMBL4288297
|
[C][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Branch1]
|
CHEMBL4288298
|
[C][C][=C][C][=C][Branch2][Ring2][Ring2][C][N][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL4288299
|
[O][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch2][Ring1][#Branch2]
|
CHEMBL4288375
|
[C][C][N][C][=C][C][Branch2][Branch1][#Branch1][C][=C][C][=C][Branch2][Ring2][Ring1][N][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][C][=C][Ring2][Ring1][Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring2][Ring2][C]
|
CHEMBL4288376
|
[C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][=N][C][=C][Ring1][P][C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][=C][N][Ring2][Ring1][C][C]
|
CHEMBL4288377
|
[C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][C][C@][Branch1][C][O][C][=Branch1][C][=C][C][C][C][C@][Ring1][Branch2][Branch1][C][C][C][C@@H1][Ring1][=N][O][C][Branch1][C][C][=O]
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.