chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL17472
|
[C][O][C][=C][C][=C][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][Cl][C][=C][Ring1][=N]
|
CHEMBL17408
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=C][O][C][C][C][C][N][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][P]
|
CHEMBL17409
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=N][O][C][C][C][N][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][S]
|
CHEMBL17761
|
[C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][=N][O][C][C][C][N][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][S]
|
CHEMBL17762
|
[C][C][C][C][C][=Branch1][C][=O][O][C][C][C][N][C][Ring1][Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Ring1][N][=O]
|
CHEMBL17691
|
[C][C][C][C][C][C][C][C][N][Branch2][Ring2][#Branch2][C][C][N][Branch2][Ring1][=C][C][C][N][Branch2][Ring1][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O]
|
CHEMBL17692
|
[C][O][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][O]
|
CHEMBL17693
|
[C][C][C][C][C][O][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][N][=N][C][Ring1][#Branch1][C]
|
CHEMBL17778
|
[C][C][Branch1][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL17715
|
[N][=C][Branch1][C][N][N][C][C][C][Branch2][Ring2][Branch2][C][N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][P][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][=C]
|
CHEMBL17716
|
[C][O][C][=C][C][=C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][S][C][C][Ring1][=Branch1][C][=C][Ring1][=C]
|
CHEMBL17717
|
[C][C@@H1][Branch1][C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][Ring1][=N][S][C@@H1][C][N][C@@H1][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][N][=C][Branch1][C][N][N][C][=C][Ring1][O][C][Ring1][S][C@H1][Branch1][C][C][C@H1][Ring2][Ring1][=N][Ring2][Ring1][#Branch2]
|
CHEMBL17718
|
[C][S][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL3310071
|
[C][O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][S][C][C][=C][N][=C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][NH1][Ring1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][S][C][C][=C][N][=C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][NH1][Ring1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL17473
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C@H1][C][C][C][C][C][C][C@H1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C@][Ring1][Branch2][Branch1][C][C][C][Ring1][=N][C][C][C@@][Ring1][P][Ring2][Ring1][Ring2][C]
|
CHEMBL17474
|
[C][C][O][C][C][N][C][Branch1][=C][N][C][C][C][N][Branch1][Ring1][C][C][C][C][Ring1][=Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]
|
CHEMBL17475
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][C][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL17222
|
[C][C][Branch1][C][C][C][C][N][Branch1][Ring1][C][=O][C@H1][C][C][C][C][C][C][C@H1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C@][Ring1][Branch2][Branch1][C][C][C][Ring1][=N][C][C][C@@][Ring1][P][Ring2][Ring1][Ring2][C]
|
CHEMBL17223
|
[C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]
|
CHEMBL17763
|
[C][N][C][C][N][Branch2][Ring1][Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL17764
|
[F][C][Branch1][C][F][Branch1][C][F][C][N][N][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL4543549
|
[C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=O]
|
CHEMBL4543550
|
[F][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][N][=N][C][=C][Ring1][Branch1][C][N][C][C][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1]
|
CHEMBL4543551
|
[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][=C][Ring2][Ring1][#Branch1]
|
CHEMBL4543552
|
[O][=C][N][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][/C][Ring1][P][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4543553
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][S]
|
CHEMBL4543554
|
[O][=C][Branch1][#C][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][N][=Ring1][Branch2][N][C][C][C][C][Branch1][=C][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Ring1][#C]
|
CHEMBL4543555
|
[C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][=C][Branch2][=Branch1][Ring2][O][C][C][=C][N][Branch2][Branch1][#Branch1][C@@H1][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][Ring2][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][O][C@H1][C][=Branch1][C][=O][O][C][C@H1][Ring2][Ring1][=Branch2][Ring1][=Branch1][O][C][O][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring1][P][C][Ring2][Ring2][#Branch2][=C][Ring2][Ring2][=C]
|
CHEMBL4543556
|
[C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Branch1][C][F][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#C][C][=N][N][Ring2][Ring1][#Branch1][C][=N][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2]
|
CHEMBL17765
|
[N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][S][Ring1][Branch2]
|
CHEMBL17499
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Branch2][C][N][=C][N][Branch2][Ring1][O][C][=Ring1][Branch1][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][C][S][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O]
|
CHEMBL3309844
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=Branch1][C][=S][N][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1]
|
CHEMBL17780
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][N][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][C][Branch1][C][F][F]
|
CHEMBL17781
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][S][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL17783
|
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL17518
|
[O][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][O][C][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][#Branch1]
|
CHEMBL17519
|
[C][N][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][S][C][C][Ring2][Ring1][Branch2]
|
CHEMBL17801
|
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring2][P][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][S][Ring2][Ring1][P].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL17802
|
[C][N][C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Ring1][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch2]
|
CHEMBL17803
|
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][Branch2][C][O][C][=C][C][=C][Branch1][N][O][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][#C][N][Ring2][Ring1][Branch2]
|
CHEMBL17224
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL17225
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL4543566
|
[C][O][C][C@@H1][C][C][C][N][Ring1][Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=N][Ring1][Branch2]
|
CHEMBL4543567
|
[C][C][C][=C][C][=C][N][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring1][C][C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]
|
CHEMBL4543568
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][Branch2][Ring2][=N][S][C][=C][C][Branch1][C][Cl][=C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][C][C][=C][Ring2][Ring1][=C]
|
CHEMBL17226
|
[C][=C][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][S]
|
CHEMBL17302
|
[N][C][=N][C][=C][Branch2][Ring1][C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][=Branch2][Ring1][#Branch2]
|
CHEMBL17303
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1].[Na+1]
|
CHEMBL17500
|
[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][N][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL594
|
[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]
|
CHEMBL17502
|
[C][O][C][=C][C][=C][Branch2][Ring2][O][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=C]
|
CHEMBL17582
|
[C][C][=C][C][=C][Branch1][N][C][C][=N][O][S][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][Ring1][=N][C]
|
CHEMBL17583
|
[C][C][=Branch1][C][=N][N][C][C][C][=Branch1][C][=O][O]
|
CHEMBL17584
|
[C][C][=C][Branch1][=Branch1][N][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][N][=C][N][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=N][=O][C][C][C][Ring1][Branch2][O][C][Branch1][C][N][=O]
|
CHEMBL17522
|
[C][C][N][Branch2][Ring1][=Branch1][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][O][C][C][C][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL17606
|
[C][=C][C][C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][#Branch2][C@H1][C][C@H1][Branch2][Ring1][#C][S][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][C@H1][Ring1][Branch2][C@H1][Ring1][=C][C][C][N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL17607
|
[C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][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][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL17805
|
[C][N][Branch2][Ring1][#Branch2][C][C][O][C][=C][C][=C][Branch1][=N][C][C][S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2]
|
CHEMBL17806
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring1][P]
|
CHEMBL17807
|
[C][C][Branch1][C][C][O][C][Branch1][#Branch2][/C][=C][/C][C][=C][O][C][=Ring1][Branch1][=C][C][Ring1][=N][=O]
|
CHEMBL17808
|
[C][N][C][C][N][Branch2][Ring1][#Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL17809
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][=N][N][C][=C][C][=C][C][Branch1][P][O][C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][C][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL601
|
[N][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O]
|
CHEMBL17304
|
[N][C][C][C][=C][NH1][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][N]
|
CHEMBL17307
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=N][C][=N][N][=C][Branch1][Ring2][N][C][#N][S][Ring1][Branch2][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C][O]
|
CHEMBL17390
|
[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][C][N][C][C][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2]
|
CHEMBL17587
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=N][N][Branch2][Ring1][P][C][=Branch1][C][=O][C][=C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring2][Ring1]
|
CHEMBL17675
|
[N][=C][Branch1][C][N][N][C][=C][C][=C][Branch2][Branch1][Ring2][C][N][C][=Branch1][C][=O][N][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][N][=O][C][=C][Ring2][Ring2][Ring1]
|
CHEMBL3309902
|
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][P@][=Branch1][C][=O][Branch2][Ring2][N][O][C][C@H1][O][C@@][Branch1][Ring1][C][#N][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C@][Branch1][C][C][Branch1][C][O][C@@H1][Ring1][P][O][C][=Branch1][C][=O][C][Branch1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17608
|
[O][=C][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][#Branch2][C][#C][C][C][=C][O][C][=Ring1][Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][#Branch1]
|
CHEMBL17609
|
[C][N][Branch2][Ring2][=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][C][C][C][C][C][C][Ring1][=Branch1].[K+1]
|
CHEMBL4543395
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][N]
|
CHEMBL4543396
|
[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][C][Ring1][N][=C][Ring1][S][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4543397
|
[C][C][Branch1][C][C][C][C@H1][Branch2][Branch1][N][N][C][=Branch1][C][=O][C][=C][C][C@@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@H1][Ring2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]
|
CHEMBL4543398
|
[C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][C][=C][C][=N][N][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][Ring1][Branch2][N][Ring1][S][C][=Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4543399
|
[C][O][C][=C][C][Branch1][#Branch2][O][C][C][C][N][Branch1][C][C][C][=C][Branch2][Ring1][#Branch1][C][=C][N][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][Ring1][O][=N][Ring1][=C][C][=C][Ring2][Ring1][O][Cl]
|
CHEMBL4543400
|
[C][=C][C@][Branch1][C][C][C][C@@H1][Branch2][Ring2][=Branch1][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][C][N][C][C][Ring1][=Branch1][=C][C][=C][NH1][C][Ring1][Branch1][=N][Ring2][Ring1][Ring1][C@][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Branch1][N][C][C][C][=Branch1][C][=O][C@H1][Ring1][=Branch1][Ring1][N][C@@H1][Branch1][C][C][C@@H1][Ring2][Ring2][O][O]
|
CHEMBL4543401
|
[C][O][C][=C][C][=N][C][=C][C][Branch2][Ring1][=C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][P][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][N][O][C]
|
CHEMBL17610
|
[C][C][C][C][=N][N][C][Branch1][Ring2][C][C][C][N][=N][Ring1][=Branch2]
|
CHEMBL17695
|
[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]
|
CHEMBL17696
|
[C][C@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL17630
|
[C][C][N][C][C][=C][C][=C][Branch2][Ring2][#Branch2][C@H1][C][C@H1][Branch2][Ring1][#C][S][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][C@H1][Ring1][Branch2][C@H1][Ring1][=C][C][C][N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL17631
|
[C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][=N][Ring1][=N]
|
CHEMBL17633
|
[C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][C][Branch1][C][C][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1]
|
CHEMBL17634
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][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][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL590
|
[C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O]
|
CHEMBL17391
|
[C][C][=N][N][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][=N][N][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
|
CHEMBL17392
|
[C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][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]
|
CHEMBL17476
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][=C][N][Branch1][N][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][S][Ring1][N][C][=C][Ring2][Ring1][Ring2][O][C]
|
CHEMBL17477
|
[C][C][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][S]
|
CHEMBL17676
|
[C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O][C][C][Ring2][Ring1][Ring2]
|
CHEMBL17677
|
[C][C][Branch1][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][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]
|
CHEMBL17678
|
[O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S]
|
CHEMBL17766
|
[C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][O][C][=Branch1][C][=O][C][Cl][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL17767
|
[Cl][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=N][Ring1][=N][=C][Ring2][Ring1][Ring1]
|
CHEMBL17697
|
[C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O]
|
CHEMBL17698
|
[C][S][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=Ring1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2]
|
CHEMBL17699
|
[C][C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][#Branch2][C@H1][C][C@H1][Branch2][Ring1][#C][S][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][C@H1][Ring1][Branch2][C@H1][Ring1][=C][C][C][N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL17784
|
[C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][N][C][=C][Ring2][Ring1][C]
|
CHEMBL3310028
|
[C][C][=C][C][=C][Branch2][Ring1][#C][/C][=C][/C][=Branch1][#C][=N][/N][C][=Branch1][C][=O][C][S][N][=N][C][=Ring1][Branch1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2]
|
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