chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL8056
|
[C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=N][C][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[Na+1].[Na+1]
|
CHEMBL8057
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL3309329
|
[O][N][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]
|
CHEMBL8252
|
[C][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][C][C][=Branch1][C][=O][C][=C][C@@][Branch1][C][C][Branch2][Ring1][=C][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C@][Ring1][P][Ring1][N][C][C@][Ring2][Ring1][#Branch1][Branch1][C][C][C][C][Ring2][Ring2][C]
|
CHEMBL8253
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][Branch1][C][S][=N][N][=C][N][Ring1][#Branch1][Ring1][O]
|
CHEMBL8343
|
[C][C][=Branch1][C][=O][O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][/C][=Branch1][#Branch2][=C][/C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][#Branch2][S][C][Ring1][P].[Na+1]
|
CHEMBL8344
|
[C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][N][C][C][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=C][=O][S][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring2][Ring1][=N][Ring1][#Branch1]
|
CHEMBL8273
|
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C]
|
CHEMBL8274
|
[O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
|
CHEMBL4553167
|
[C][C][=N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=N][N][C][=Branch1][C][=O][C][C][Ring1][#Branch1][C][=C][Ring1][S][S][Ring2][Ring1][Ring1]
|
CHEMBL4553168
|
[C][N][Branch1][C][C][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL8275
|
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch1][O]
|
CHEMBL8277
|
[C][C][C][C][N][C][Branch1][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O][S][/C][Ring1][=C][=N][\C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2]
|
CHEMBL8362
|
[C][O][C][=C][C][=C][NH1][C][=C][Branch1][C][O][N][=N][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][=C][Ring1][=C]
|
CHEMBL1766475
|
[O][C@H1][C@H1][Branch2][Ring1][=Branch1][N][C][C][=C][N][Branch1][O][C][C][S][C][C][C][S][C][Ring1][Branch2][N][=N][Ring1][=N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Branch2][O]
|
CHEMBL8396
|
[C][C][Branch1][C][N][Branch1][=N][/C][=C][/C][C][Branch1][C][N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL8397
|
[C][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][N][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring2][Ring1][#Branch2]
|
CHEMBL3309307
|
[O][=C][Branch2][Branch1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][P][N][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL8058
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1]
|
CHEMBL8059
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C]
|
CHEMBL8144
|
[C][O][C][=C][C][=C][NH1][C][=C][Branch1][N][C][=N][N][C][=N][N][=C][Ring1][=Branch2][Ring1][Branch1][C][Ring1][N][=C][Ring1][S]
|
CHEMBL8145
|
[O][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring2][Ring1][C][Ring1][#Branch1]
|
CHEMBL1163209
|
[C][C][O][C][=Branch1][C][=O][/C][=C][\N][N][=N][N][=C][Ring1][Branch1][S][C]
|
CHEMBL3309330
|
[C][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]
|
CHEMBL8346
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring2][Ring1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL8347
|
[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@@][Branch1][C][F][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Ring1][#C]
|
CHEMBL8077
|
[C][N][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][C][C][=Branch1][C][=O][C][=C][C@@][Branch1][C][C][Branch2][Ring1][O][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C@][Ring1][S][Ring1][O][C][C@][Ring2][Ring1][=Branch1][Branch1][C][C][C][C][Ring2][Ring1][P]
|
CHEMBL8078
|
[C][C][Branch1][C][C][Branch2][Ring2][C][C][C][C][C][O][C][=C][C][=C][C][Branch2][Ring1][C][O][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][=C][Ring1][P][C][=Branch1][C][=O][O]
|
CHEMBL8363
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][#C][C][C][C][=C][C][=C][NH1][C][=C][Ring1][=Branch1][N][=Ring1][=Branch2][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL8365
|
[N][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][=C][S][C][=Ring1][Branch1][Ring1][N]
|
CHEMBL8368
|
[O][=C][C@@H1][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][C][=C][O][N][=Ring1][Branch1][S][Ring1][#Branch2][C][C][N][Ring2][Ring1][Ring1][C][C][C][=C][NH1][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][=Branch2]
|
CHEMBL8101
|
[O][=C][Branch1][C][O-1][C][C][C][/C][=C][\C][C@@H1][C][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1].[Na+1]
|
CHEMBL3309306
|
[C][C@H1][Branch1][C][O][C][N][C][=N][C][=C][C][Branch2][Branch1][=Branch2][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][P][=C][Ring2][Ring1][#Branch2][=N][Ring2][Ring2][=Branch1]
|
CHEMBL8400
|
[O][C][=N][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][Ring1][P]
|
CHEMBL4553595
|
[C][C][C][Branch1][C][N][Branch1][Ring1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL8486
|
[C][C][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL8487
|
[O][C][=N][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][Ring1][=C]
|
CHEMBL1163225
|
[O][=C][Branch1][#Branch2][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S].[Cl-1]
|
CHEMBL8146
|
[C][C][Branch1][C][C][Branch2][Ring2][#Branch2][C][C][C][O][C][=C][C][=C][Branch1][P][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O]
|
CHEMBL8148
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL8234
|
[C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]
|
CHEMBL8079
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch1][Ring1][C][N][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL8080
|
[O][=C][Branch1][C][O][C][C][C][C][C][Branch1][Ring2][O][Ring1][Branch1][C][Ring1][#Branch1][C][=Branch1][C][=O][O]
|
CHEMBL8081
|
[O][C][=N][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL8168
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][Branch1][C][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][C]
|
CHEMBL8169
|
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][Branch1][C][=C][Ring1][S]
|
CHEMBL8170
|
[C][C][Branch1][C][C][C][C][=C][C][Branch2][Ring1][Branch1][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][=Branch1][C][=O][C][=Ring2][Ring1][#Branch1]
|
CHEMBL8102
|
[O][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL8103
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=Ring1][O][O][C][=C][Ring2][Ring1][N]
|
CHEMBL8104
|
[C][C][N][C][Branch2][Branch1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][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][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][S][Ring2][Ring2][=Branch2][=Branch1][C][=O][=O][O][C][C][O][Ring1][O]
|
CHEMBL8105
|
[N][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][S][C][=C][C][=Ring1][Branch1][Ring1][N]
|
CHEMBL8106
|
[N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][S][C][=Ring1][Branch1][Ring1][#C]
|
CHEMBL8107
|
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][#C]
|
CHEMBL8191
|
[O][C][=C][C][=C][C][Branch2][Ring2][P][C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][=C][O]
|
CHEMBL8488
|
[C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][NH1][C][=Ring1][#C][N][Branch1][C][C][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL8489
|
[O][=C][Branch1][#C][N][C][C][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1]
|
CHEMBL8490
|
[C][C][Branch1][C][C][C][C][C][N][Branch1][C][C][C@H1][C][C][C][C][C][C][=C][C][C@@H1][Branch1][C][O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring1][S][Ring2][Ring1][Ring1][C]
|
CHEMBL8491
|
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring2][N][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Ring2][Ring2][Ring2][=O].[Br-1].[Br-1]
|
CHEMBL4553653
|
[C][N][C][=Branch1][C][=O][C][N][C][C][C][C][Branch1][Ring1][C][O][Branch1][=Branch1][C][C][C][O][C][C][Ring1][=N]
|
CHEMBL4553654
|
[C][C][=C][C][=C][C][Branch2][Ring2][#Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C][=C][Ring2][Ring1][#C]
|
CHEMBL4553655
|
[C][O][C][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#C][O][C]
|
CHEMBL4553656
|
[C][O][C][=C][C][=C][Branch2][Ring1][S][/C][=N][/N][C][=Branch1][C][=O][C][=N][C][Branch1][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][=C][S][Ring1][S][C][Branch1][C][O][=C][Ring2][Ring1][N]
|
CHEMBL8576
|
[C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][C][O][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][Ring1][P]
|
CHEMBL8577
|
[N][#C][N][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C]
|
CHEMBL503007
|
[C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][Branch1][C][O][C][N][C][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][Ring2][=O]
|
CHEMBL8237
|
[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][O][C][C][Branch1][C][C][N]
|
CHEMBL8238
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=C][C][=C][N][=C][N][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][C][=C][Ring1][S][Ring1][=N]
|
CHEMBL8239
|
[O][C][=N][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][Ring1][=C]
|
CHEMBL8325
|
[C][O][C][=C][C][=C][NH1][C][=C][Branch1][Branch2][N][N][=C][Branch1][C][C][C][N][=N][C][=C][Ring1][O][C][Ring1][=C][=C][Ring2][Ring1][C]
|
CHEMBL8326
|
[C][/C][=Branch1][O][=C][/C][Branch1][C][N][C][=Branch1][C][=O][O][C][C][Branch1][C][N][C][=Branch1][C][=O][O]
|
CHEMBL8327
|
[O][=C][O][C][=Branch1][C][=O][C][C][C][C][C][Branch1][Ring2][O][Ring1][Branch1][C][Ring1][O][Ring1][#Branch1]
|
CHEMBL8328
|
[O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][Ring1][N][C][=C][Ring2][Ring1][C]
|
CHEMBL3309331
|
[C][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][=C]
|
CHEMBL8171
|
[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL8172
|
[O][=C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][Ring1][=N][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL8254
|
[C][C][C][C@@H1][C][C][C][Branch2][Ring1][C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Ring1][O][Ring1][#Branch1][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring2][Ring1][Branch1][Ring1][Branch2]
|
CHEMBL8255
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][=C][C][C][Branch1][#Branch2][C][N][C][C][N][Branch1][C][C][C][=N][N][Ring2][Ring1][=Branch2][C][=Ring1][N][Ring2][Ring1][=Branch1]
|
CHEMBL3311503
|
[C][O][C][=C][C][Branch1][#C][/C][=C][/C][=Branch1][C][=O][O][C][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][S][O]
|
CHEMBL1237049
|
[C][C][=C][C][=C][Branch2][Ring2][P][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][S][C@H1][Ring1][=N][Ring1][#Branch2][C][C][=C][S][C][=Ring1][Branch1][C][=C][Ring2][Ring1][#C]
|
CHEMBL8193
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=N][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][N][=C][Ring1][=Branch2][Ring1][N][=C][Ring2][Ring1][Ring1]
|
CHEMBL8194
|
[C][O][C][=C][/C][=Branch1][O][=C][\C][=Branch1][C][=O][C][=Branch1][C][=O][O][O][C][Branch1][C][O][=C][Ring1][=N]
|
CHEMBL8195
|
[C][C][Branch1][C][C][Branch1][Ring1][C][O][C][C][C][C][O][C][=C][C][=C][Branch1][#C][O][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][O][C][=C][Ring1][S]
|
CHEMBL8278
|
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2]
|
CHEMBL8279
|
[C][N][C][=C][Branch2][Ring1][Branch1][C][=N][C][C][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][O][Ring1][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Ring2][Ring1][Branch2]
|
CHEMBL8552
|
[N][C][C][C][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL8553
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][C][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][O][C][=Branch1][C][=O][N][C@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=Branch2][O][C][=C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][S]
|
CHEMBL8554
|
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
|
CHEMBL8557
|
[O][=C][C@@H1][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][C][N][Ring2][Ring1][Ring1][C][C][C][=C][C][=C][NH1][C][=C][Ring1][=Branch1][N][=Ring1][=Branch2]
|
CHEMBL8558
|
[N][C][C][N][C][=C][C][=C][C][Branch1][#Branch1][C][N][C][C][C][O][=N][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][Branch1][Ring1][N]
|
CHEMBL8767
|
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][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][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][C][=Branch1][C][=O][O][C][Branch1][C][C][C]
|
CHEMBL8768
|
[C][C][C][C][C][Branch1][#Branch2][O][C][C][C][C][C][O][Ring1][=Branch1][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C]
|
CHEMBL8769
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][/C][=C][/C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][S]
|
CHEMBL8770
|
[O][=C][Branch1][C][O][C][C][S][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=N][Ring1][N]
|
CHEMBL462
|
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL1163227
|
[C][C][Branch1][C][C][=C][C@@H1][C][C@][Branch1][C][O][Branch2][Branch1][Ring2][C@H1][C][C][C@@H1][C@@H1][Ring1][Branch1][C][C][C@H1][C@@][Ring1][=Branch1][Branch1][C][C][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C@][Ring2][Ring1][=Branch1][Ring1][P][C][C][=Branch1][C][=O][O][Ring2][Ring2][Branch1]
|
CHEMBL8601
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=C][C][=C][N][=C][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][P][=C][Ring1][#C][Ring1][N]
|
CHEMBL8602
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=C][C][=C][N][=C][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][O][C][=Branch1][C][=O][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][Ring1][Ring1][S]
|
CHEMBL8603
|
[C][C][O][C][=C][C][=N][C][Branch2][Ring2][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][=C][C][Branch1][C][N][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][Ring1][#Branch2][=N][Ring1][#C][C][C][Ring2][Ring1][Branch1][=N][Ring2][Ring1][O]
|
CHEMBL8535
|
[C][C][N][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=C][=Branch1][C][=O][=O][O][C][C][O][Ring1][O]
|
CHEMBL8536
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=Branch1][C][C][C][C][=C][C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][Ring1][N][C][C][Ring2][Ring1][Branch1]
|
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