chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL4287485
|
[C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][N][=C][Branch1][S][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][C][C][Ring1][#Branch1][NH1][C][Ring1][=C][=C][Ring2][Ring1][Branch1]
|
CHEMBL4287486
|
[C][N][/C][=Branch2][Ring2][Branch1][=C][\C][=C][/C][C][C][Branch2][Ring1][#Branch1][/C][=C][/C][=N+1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][Branch1][C][C][C][=C][Ring2][Ring1][Ring1][Cl][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][P]
|
CHEMBL4287487
|
[O][=C][C][=C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][C][C][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][O][Ring2][Ring1][=Branch2]
|
CHEMBL4287566
|
[O][=C][Branch1][C][O][C][=C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][=N]
|
CHEMBL4287567
|
[O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][N][N][N][=C][C][=C][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][#Branch1]
|
CHEMBL4287568
|
[O][=C][/C][=Branch1][=N][=C][/C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2]
|
CHEMBL4287569
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][Ring2][/N][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4287570
|
[C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Ring2][C][C][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C][C@@][Ring1][=N][Ring1][Branch2][C][C@@H1][Ring2][Ring1][C][C][C][Branch1][P][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL4287571
|
[C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N]
|
CHEMBL4287657
|
[C][C][C][C][S][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][#Branch1][C@H1][C][C][C@][Branch1][C][N][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][Ring1][N][C][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL4287658
|
[C][C][=C][C][Branch1][N][/N][=N][/C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][#Branch2]
|
CHEMBL4287659
|
[C][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][NH1][Ring1][O][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL4287660
|
[C][C][C][S][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][N][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=N][Ring2][Ring1][Branch2]
|
CHEMBL4287661
|
[C][O][C][=C][C][=C][Branch2][Branch1][#C][C][C][C][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring2][Ring1][O][C@H1][O][C@@H1][O][C@@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][Branch1][C@H1][Ring1][#C][C][C@][Ring1][=Branch2][Ring1][#C][O][O][Ring1][#C][C][=C][Ring2][Ring1][#Branch2][=N][N][Ring2][Ring1][#C][C][Branch1][C][C][=O][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#Branch2]
|
CHEMBL4287662
|
[C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Branch2][Ring2][N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=Branch2][Ring1][Ring2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][=Branch2][=C][Ring1][=N][Ring2][Ring1][Branch1][C][N][C][Ring1][#C][=O][O][C@@H1][Branch1][C][C][C@@H1][Ring2][Ring1][S][O]
|
CHEMBL4287663
|
[N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][=Branch2][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][Branch1][C][N][=O]
|
CHEMBL4287747
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][N][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=C][N][Ring1][Branch2][C][Ring1][N][=O]
|
CHEMBL4287748
|
[C][N+1][Branch1][C][C][Branch1][=N][C][C][#C][C][O][C][=N][O][C][C][Ring1][Branch1][C][C][C][C][C][C][C][C][C][C][N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N].[Br-1]
|
CHEMBL4287749
|
[C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][C@][C][C@][Branch1][C][C][Branch1][Branch2][C][C][C@@H1][Ring1][N][Ring1][#Branch1][C@@][Branch1][C][O][Branch2][Ring1][=Branch2][C][=C][N][Branch1][S][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][N][=N][Ring1][=C][C][Ring2][Ring1][Branch2]
|
CHEMBL4287750
|
[C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][C][C][C][Branch1][=C][C][C][Branch1][C][O][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][#Branch2][C][Ring1][O][S][Ring2][Ring1][C]
|
CHEMBL4287751
|
[C][O][C][=C][C][=C][Branch2][Branch1][C][C][=Branch1][C][=O][C][=C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][N][C][=C][Ring2][Ring1][#C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring2][#Branch1]
|
CHEMBL4287752
|
[O][=C][C@H1][C@@H1][C][=C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][S][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C]
|
CHEMBL4287753
|
[C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][Ring1][N]
|
CHEMBL4287754
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][Ring1][#Branch2][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=C]
|
CHEMBL4287832
|
[C][C][C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][=C][Ring1][O][N+1][=Branch1][C][=O][O-1]
|
CHEMBL4287833
|
[O][=C][/C][=Branch2][Ring1][#Branch2][=C][Branch1][#Branch2][\N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][=C][N][Ring2][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL4287834
|
[C][O][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C]
|
CHEMBL4287835
|
[C][C][N][Branch1][Ring1][C][C][C][C].[C][C][N][Branch1][Ring1][C][C][C][C].[O][=C][NH1][C][=Branch1][C][=O][N][Branch2][Ring1][P][C@@H1][O][C@H1][Branch2][Ring1][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][C][O][C@H1][Ring1][S][O][C][=C][Ring2][Ring1][Branch2][I]
|
CHEMBL4287836
|
[C][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][Ring1][Branch2][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][#C]
|
CHEMBL4287837
|
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N]
|
CHEMBL4287918
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][Ring2][Ring1][=N]
|
CHEMBL4287919
|
[C][C][C][=C][C][=C][Branch1][S][C][N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P]
|
CHEMBL4287920
|
[C][C][C][Branch1][C][C][C][N][C][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1]
|
CHEMBL4287921
|
[C][C][C][C][C][C][C][C][C][C][N+1][=N][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O].[O][=S][=Branch1][C][=O][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL4287922
|
[C][O][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C][=C][C@H1][C][C@H1][Branch1][N][C][N][C][C][C][C][C@H1][Ring1][#Branch2][Ring1][=Branch1][C@@H1][Ring1][=N][Ring1][P][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL4287996
|
[C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Branch1][/C][=C][\S][C][=Branch1][C][=S][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=O][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N]
|
CHEMBL4287997
|
[C][#C][C][O][C][=C][N][N][=C][N][=C][Branch2][Ring2][O][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][F][C][Ring2][Ring1][=C][=C][Ring2][Ring1][P][C]
|
CHEMBL4287998
|
[C][C@@H1][Branch2][Ring2][O][N][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=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][Branch1][C][C][C][Ring1][Ring1]
|
CHEMBL4287999
|
[C][#C][C][C][C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]
|
CHEMBL4288000
|
[C][N][C][C][N][Branch2][Ring1][=N][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][#Branch2]
|
CHEMBL4288084
|
[F][C][Branch1][C][F][C][C][Branch2][Ring2][=C][N][C][=N][C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][=N][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][=N][Ring2][Ring1][=Branch1][C][Ring2][Ring1][N]
|
CHEMBL4288085
|
[C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][=N][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1]
|
CHEMBL4288086
|
[C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=N][C][=N][C][NH1][C][=C][Branch1][Branch1][C][C][O][C][C][Ring1][=N][=Ring1][=Branch2][=C][Ring2][Ring1][Ring1]
|
CHEMBL4288087
|
[O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
|
CHEMBL4288088
|
[O][=C][Branch2][Ring1][=N][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][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][P][=O]
|
CHEMBL4288167
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch1][NH1][C][=C][Branch2][Ring1][Branch1][C@][Branch1][C][C][C][C][C@@][Branch1][=Branch1][C][Branch1][C][C][C][C][C@H1][Ring1][=Branch1][Ring1][#Branch2][C][Branch1][C][O][=C][C][=C][Ring1][P][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][Branch2]
|
CHEMBL4288168
|
[O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][/C][=C][/C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O]
|
CHEMBL4288169
|
[C][=C][N][=C][Branch2][Ring1][S][N][C][C][N][Branch2][Ring1][Ring2][C][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch1][N][=C][Ring2][Ring1][O]
|
CHEMBL4288170
|
[O][=C][NH1][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][NH1][Ring1][=N]
|
CHEMBL4288171
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][N]
|
CHEMBL4288172
|
[C][O][C][=C][C][Branch2][Ring2][S][C@@H1][C][=C][C][=C][Branch2][Ring2][C][C][=C][Ring1][=Branch1][C@@H1][Branch1][=C][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C@H1][C][O][C][=Branch1][C][=O][C@H1][Ring2][Ring1][#Branch1][Ring1][=Branch1][O][C][O][Ring2][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][C][O]
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CHEMBL4288173
|
[O][=C][Branch2][Ring2][N][N][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL4288174
|
[C][C][C@H1][Branch1][C][C][C@@H1][Branch2][Branch1][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C@@H1][Ring1][Branch2][C][Branch1][C][C][C][N][Branch1][C][C][C]
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CHEMBL4288259
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Branch1][Ring1][N][C][C][Branch2][Ring2][#Branch1][C][C][N][Branch2][Ring1][N][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][Cl][C][=C][Ring1][O][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][S]
|
CHEMBL4288260
|
[C][C][C@H1][Branch1][C][C][/C][=C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][Br][C][=C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][C][Ring1][#Branch2][=C][O][Ring1][#C]
|
CHEMBL4288261
|
[C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][=Branch2][C][C][=Branch1][C][=O][O][C][C][C][C@@][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C@@H1][Ring1][Branch2][C]
|
CHEMBL4288262
|
[Cl][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][C][=N][Ring1][=C][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL4288338
|
[C][C][Branch1][C][C][N][C][C][C][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][Ring1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][C][Ring2][Ring1][C]
|
CHEMBL4288339
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][S][Ring1][=Branch1]
|
CHEMBL4288340
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][C][O][C][=N+1][Ring1][#Branch2][C][=C][Ring1][P]
|
CHEMBL4288341
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL4288342
|
[O][=S][=Branch1][C][=O][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring1][O]
|
CHEMBL4288431
|
[F][C][Branch1][C][F][C][C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][Branch2][C][Ring2][Ring1][#C]
|
CHEMBL4288432
|
[C][C][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][=Ring1][=N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL4288433
|
[S][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][C][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1]
|
CHEMBL4288515
|
[O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=N][Se][N][=C][Ring1][Branch1][C][=Ring1][=Branch2]
|
CHEMBL4288516
|
[F][C][Branch1][C][F][C][C][N][Branch2][Ring1][Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2]
|
CHEMBL4288517
|
[C][O][C][=N][C][=C][Branch2][Ring1][C][C][C][=C][C][=N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=Ring1][O][C][=C][Ring1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL4288518
|
[C][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][C@@H1][S][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][=C][Branch1][C][O][C][=C][Ring2][Ring1][C][C][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4288519
|
[N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][N][C][=N][O][N][=C][Ring1][Branch1][/C][=Branch1][Ring1][=N][/O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Br][=C][Ring1][Branch2][S][Ring2][Ring1][N]
|
CHEMBL4288609
|
[C][C][O][C][N][C][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][=C][=C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][O][C][Ring2][Ring1][Branch2][=O]
|
CHEMBL4288610
|
[O][=C][C][=C][C][=C][Branch2][Ring1][Ring2][C@H1][Branch1][Ring1][C][O][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][O][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][Branch2]
|
CHEMBL4288611
|
[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][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][O][=O]
|
CHEMBL4288612
|
[C][O][C][=C][C][Branch2][Ring1][N][/C][=C][\C][=Branch1][C][=O][O][C][\C][Ring1][=Branch1][=C][\C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C]
|
CHEMBL4288693
|
[C][S][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][F]
|
CHEMBL4288694
|
[C][=C][C][=Branch1][C][=C][N][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][Branch1][O][C][O][C][C][=C][Ring1][#Branch2][=N][C][=C][Ring1][P][F][=C][Ring2][Ring1][=Branch2]
|
CHEMBL4288695
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=N]
|
CHEMBL4288696
|
[N][C][=N][C][=C][Branch1][#C][C][#C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1]
|
CHEMBL4288782
|
[N][C][=N][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][#Branch1]
|
CHEMBL4288783
|
[C][N][C][C][N][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][Ring2][Ring1][=C]
|
CHEMBL4288784
|
[N][#C][C][N][=N][N][Branch2][Ring1][#C][C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][P][=O][C][=Ring2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4288785
|
[C][C][Branch1][C][C][C][N][C][=Branch1][C][=N][N][C][C][C][C][C@H1][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][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][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O]
|
CHEMBL4288786
|
[C][C][C][C][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][O][C@@H1][C][C@@H1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C][C][C][Ring2][Ring1][Branch1]
|
CHEMBL4283381
|
[F][C][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][=N][C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][=N][C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][=N][Ring2][Ring1][#Branch2]
|
CHEMBL4283382
|
[C][C][NH1][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL4283383
|
[C][N][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C@H1][Branch2][#Branch1][O][C][=C][C][=C][C][Branch2][=Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=N][C][Branch1][#Branch1][N][C][=Branch1][C][=N][N][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1][=C][Ring2][Branch1][N][C][Ring2][=Branch1][Branch2]
|
CHEMBL4283384
|
[S][=C][N][Branch2][Ring1][Branch1][C][C][C][C][C@H1][C][N][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][Ring1][#Branch2][C][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch2][C][C][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL4283385
|
[N][#C][/C][=C][/C][=C][C][=C][Branch2][Branch1][C][N][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][Ring1]
|
CHEMBL4283386
|
[N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O][O][Ring1][S]
|
CHEMBL4283468
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][P][C][=C][Branch1][P][/C][=C][/C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][N][Ring2][Ring1][Branch1][Ring1][=Branch1][=C][Ring2][Ring1][=N]
|
CHEMBL4283469
|
[O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C][=C][C][=N][Ring2][Ring1][Branch1]
|
CHEMBL4283470
|
[O][=C][Branch1][C][O][C][C][=C][S][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][=N][Ring2][Ring1][=N]
|
CHEMBL4283552
|
[C][O][C][C][C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch2]
|
CHEMBL4283553
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][C][Branch1][C][F][F][=C][Ring2][Ring1][C].[Cl]
|
CHEMBL4283554
|
[C][C@@H1][O][C@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@H1][Ring1][=Branch2][/C][=C][/C][=C][/C][=C][/C][=Branch1][C][=O][O][C@H1][C][C][C@H1][Branch2][Branch1][Ring1][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Branch2][=C][Ring1][#Branch1][C][Ring1][=C][=O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][C][O][C][Ring1][=N][O][C@@H1][Ring2][Ring1][S][C]
|
CHEMBL4283555
|
[C][C@@H1][Branch2][Ring2][#C][N][C][=N][C][Branch1][=C][N][C@H1][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring1][Ring1][C][=C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL4283556
|
[C][#C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][C][C@H1][C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][=Branch2][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][C][C@H1][O][C@][Branch2][Branch1][Ring2][C][=C][C@@H1][Branch1][=Branch2][O][C][=Branch1][C][=O][O][C][C][C@][Branch2][Ring1][#C][C][C][C@@][Branch1][C][C][Branch2][Ring1][Ring1][C@H1][C][C][C@][Branch1][C][O][Branch1][Ring1][C][C][C@H1][Branch1][C][C][O][Ring1][#Branch2][O][Ring1][S][O][Ring2][Ring1][O][C@H1][Branch1][C][C][C][C@@H1][Ring2][Ring1][P][C][O][Ring2][Branch1][Ring2]
|
CHEMBL4283557
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring2][O][C][=Branch1][C][=O][O][C][C][O][C][C][O][C][C][P+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring2][=Branch1][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][=N][C][C][C@][Ring1][P][Ring2][Ring1][=Branch1][C][C@@H1][Ring2][Branch1][N][Ring2][Branch1][=Branch2].[Br-1]
|
CHEMBL4283645
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[C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O]
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CHEMBL4283646
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[C][C][C@H1][Branch1][C][C][C@H1][Branch2][=N][=N][N][C][=Branch1][C][=O][C@@H1][Branch2][N][#C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][S][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][Branch1][C][N][=O]
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