chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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|---|---|
CHEMBL18022
|
[C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1]
|
CHEMBL18023
|
[C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=N][NH1][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][Ring1][=N][=C][Ring2][Ring1][Ring1]
|
CHEMBL18119
|
[C][C][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][O][N][C][=N][C][Branch1][N][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][O][=C][Ring1][N]
|
CHEMBL18232
|
[O][=C][Branch1][C][O][C][C][Branch2][Ring1][=C][C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL18233
|
[C][=C][C][O][C][C][N][C][Branch1][=N][N][C][C][C][N][Branch1][C][C][C][C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P]
|
CHEMBL18316
|
[C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
CHEMBL18317
|
[C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][P][O][C][C][=C][S][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][C][=C][Ring1][S][O][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL18318
|
[C][N][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Ring1][#C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2]
|
CHEMBL3310249
|
[C][C][C@@H1][Branch1][C][C][N][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl]
|
CHEMBL18341
|
[C][=C][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][C][=N][C][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1]
|
CHEMBL18342
|
[C][C][N][C][C][C][C][C][C][C][C][C][C][C][C][N][C][C]
|
CHEMBL18343
|
[C][=C][C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][NH1][Ring2][Ring1][Branch1]
|
CHEMBL18423
|
[C][C][C][C][N][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][C@@H1][Ring1][=C][C][=Branch1][C][=O][O]
|
CHEMBL18424
|
[C][N][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][C@@H1][Ring1][=C][C][=Branch1][C][=O][O]
|
CHEMBL18425
|
[C][C][=C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][O][C][Ring2][Ring1][#Branch1][=O]
|
CHEMBL18189
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=N][C][Branch2][Ring1][Branch1][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][N][=C][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N]
|
CHEMBL18190
|
[C][=C][C][=C][S][C][Branch2][Ring1][Branch1][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][C][C][C][C][Ring1][=C][=C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1]
|
CHEMBL18191
|
[C][=C][C][C][O][C][Branch1][=C][C@@H1][Branch1][C][O][C@@][Branch1][C][C][Branch1][C][O][C][O][N][C][=Branch1][C][=O][C@@][Ring1][S][Branch1][=Branch1][N][Branch1][C][C][O][N][C][Ring1][P][=O]
|
CHEMBL18192
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][NH1][C][Branch1][P][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][Ring1][#C]
|
CHEMBL18193
|
[C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18122
|
[C][N][C][C][N][Branch2][Ring1][Ring2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][C][O][C][C][Ring2][Ring1][Branch1]
|
CHEMBL18123
|
[C][=C][O][C][C][N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL17838
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][Cl].[Na+1]
|
CHEMBL17840
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][#C][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][NH1][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]
|
CHEMBL18319
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][Branch1][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#C]
|
CHEMBL18320
|
[C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][P][S][Branch1][C][N][=Branch1][C][=O][=O].[Na+1]
|
CHEMBL18401
|
[C][S][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][P]
|
CHEMBL18402
|
[C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][=N][N][Branch1][N][C][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#C]
|
CHEMBL3310250
|
[C][C@H1][Branch1][=C][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl]
|
CHEMBL18426
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=N][NH1][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][=N][Ring1][=N][=C][Ring2][Ring1][Ring1]
|
CHEMBL18427
|
[C][O][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][P][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][=C][N][Ring1][#Branch2][C][C][C][Ring1][Branch1][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][#Branch2][=O]
|
CHEMBL18428
|
[C][C][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C]
|
CHEMBL18513
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][C][C][O][C][C][S][S][C][C][O][C][C][C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C]
|
CHEMBL18514
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=N][NH1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][Ring1][N][=C][Ring2][Ring1][C]
|
CHEMBL17910
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][Branch1][C][C][=O]
|
CHEMBL17911
|
[C][N][Branch2][Ring1][P][C][C@H1][C][C][C@H1][Branch2][Ring1][Ring2][C][N][C][=N][C][Branch1][C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O][C][C][Ring2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL17912
|
[C][C][Branch1][C][C][O][C][C@@H1][Branch1][O][C][/C][=C][\C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring2][Ring1][Branch1]
|
CHEMBL17913
|
[C][=C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][N+1][C][=C][S][C][=Ring1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C].[Br-1]
|
CHEMBL17841
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C]
|
CHEMBL17842
|
[F][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][Ring2][Ring1][Ring1]
|
CHEMBL17931
|
[C][C][C][C][C][C][C][C][C][C][N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL17932
|
[C][=C][C][=C][Branch1][P][C][C][C][N][C][C][N][C][C][C][N][C][C][N][Ring1][=C][N][=C][Ring2][Ring1][Ring2]
|
CHEMBL17933
|
[C][O][C@H1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][C@H1][Ring1][O][N][C][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C]
|
CHEMBL18403
|
[C][Branch1][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][N][C][C][S][S][C][C][N][C][C][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL18499
|
[C][C][Branch1][C][C][O][C][Branch1][O][/C][=C][/C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][Ring1][=C][=O]
|
CHEMBL18500
|
[C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][C][O][C][C][C][O]
|
CHEMBL3310305
|
[C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL18515
|
[C][O][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][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O]
|
CHEMBL18516
|
[N][C][C][=C][C][Branch2][Ring2][#Branch2][C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][S][C][=C][C][Branch1][C][O][=C][C][=C][Ring2][Ring1][Branch2][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][#C][C][N][C][C][C][C][Ring1][Branch1]
|
CHEMBL18517
|
[F][C][Branch1][C][F][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][P]
|
CHEMBL18255
|
[C][C][O][C][C][N][C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1]
|
CHEMBL18256
|
[C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL18258
|
[O][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1]
|
CHEMBL18005
|
[C][C][Branch1][C][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL18006
|
[C][O][C][=C][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][Ring2][Ring1][O][=C][Ring2][Ring1][#C]
|
CHEMBL18007
|
[O][=C][/C][=Branch1][=N][=C][Branch1][C][/O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17934
|
[C][C][=N][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][C][=N][N][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2]
|
CHEMBL17935
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][Branch1][C][C][=O]
|
CHEMBL18024
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C][C@H1][C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][=N][O][Ring1][=C][C][=Branch1][C][=O][O].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL18026
|
[O][=C][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL18501
|
[O][=S][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][N][Ring1][=N][C][C][N][C][C][C][Branch2][Ring1][Ring1][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring2][Ring1][C]
|
CHEMBL18502
|
[N][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][C][C][Ring1][=C]
|
CHEMBL18503
|
[C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][=N]
|
CHEMBL18504
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][=N]
|
CHEMBL18234
|
[C][C][C][O][C][C][N][C][Branch1][=N][N][C][C][C][N][Branch1][C][C][C][C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P]
|
CHEMBL18235
|
[O][=S][=Branch1][C][=O][Branch2][Ring2][Ring1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL18259
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1].[K+1]
|
CHEMBL18260
|
[C][=C][C][=C][Branch2][Ring1][Branch2][C][O][C][=C][C][=C][C][Branch1][N][O][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][=C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL18345
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][Branch1][C][C][C][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][Branch1][C][C][=O]
|
CHEMBL18100
|
[C][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][P][S][Branch1][C][N][=Branch1][C][=O][=O].[Na+1]
|
CHEMBL18101
|
[C][O][C][C@@H1][C][N][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][O][C][C][C@H1][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#C][C][=Branch1][C][=O][O][Ring2][Ring1][Branch1]
|
CHEMBL18102
|
[C][C][Branch1][C][C][O][C][Branch1][O][/C][=C][/C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][Ring1][=C][=O]
|
CHEMBL18103
|
[C][N][C][=Branch1][C][=O][C][NH1][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL18104
|
[C][C][C][C][C][C][C][=O]
|
CHEMBL18027
|
[C][C][N][C][C][C][C][N][C][C][C][N][C][C]
|
CHEMBL18028
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][=C][\C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL18029
|
[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=S][N][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
|
CHEMBL18124
|
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C]
|
CHEMBL18125
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][=N][C][=N][O][C@@H1][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Branch1][C][=O][O][C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL18236
|
[C][C][Branch1][C][C][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][Ring1][S][=O]
|
CHEMBL18237
|
[C][O][C][=C][C][=C][Branch2][Ring2][C][C][N][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][C][=Ring1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][O]
|
CHEMBL18238
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O]
|
CHEMBL18322
|
[C][C][Branch1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][=N][O][Ring1][=C][C][=Branch1][C][=O][O].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL18323
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Branch1][C][C][=N][O][C][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][N][C][=C][Ring2][Ring2][C].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL3310306
|
[C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
|
CHEMBL18584
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][C][N][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL18585
|
[N][C][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1]
|
CHEMBL18586
|
[C][C][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][O][N][C][=N][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][#Branch2]
|
CHEMBL18588
|
[F][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][C][N][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL1163497
|
[C][C][Branch1][C][C][=C][C][N+1][=C][N][=C][C][Branch2][Ring1][Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][=C][Ring2][Ring1][C][N].[Br-1]
|
CHEMBL18876
|
[C][C][O][C][=Branch1][C][=O][/C][=C][/C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring2][Ring1][Branch1]
|
CHEMBL18877
|
[C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][=C][Branch1][#Branch1][N][=C][Branch1][C][N][N][S][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL18878
|
[C][Si][Branch1][C][C][Branch1][C][C][O][C][Branch1][Ring1][C][#N][C][C][C][C][C][C][C][Ring1][#Branch2]
|
CHEMBL18608
|
[C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][=C][Branch1][#Branch1][S][C][Branch1][C][F][F][NH1][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL18609
|
[O][=C][C][Branch1][Branch1][O][C][C][O][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][O][C][C][O][C][Branch1][Branch1][O][C][C][O][=C][Ring1][=C][O][C][=C][C][Branch1][Branch1][O][C][C][O][=C][C][Branch1][Branch1][O][C][C][O][=C][Ring2][Ring2][Ring2][Ring1][=C]
|
CHEMBL18370
|
[C][C][C][N][Ring1][Ring1][C][C][Branch1][C][O][C][C][C][C][Ring1][Ring1][C][O][C][Branch1][#Branch2][C][O][C][Branch1][Ring1][C][O][C][O][C][O][C][Branch1][Ring1][C][O][C][O]
|
CHEMBL18371
|
[C][C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][Branch1][Ring2][O][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch1][Ring2][O][C][C][=C][Ring1][N][O][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][O]
|
CHEMBL18452
|
[F][C][Branch1][C][F][Branch1][C][F][S][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][Ring1]
|
CHEMBL18453
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][NH1][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][=N][C][=Ring1][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL18304
|
[C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N][C][Branch2][Ring1][Branch2][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][=C][N][=C][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1]
|
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