chembl_id
stringlengths 7
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CHEMBL4284596
|
[C][C@@H1][Branch2][Ring1][P][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][C][C][C][C][Ring1][Ring1]
|
CHEMBL4284683
|
[O][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][=C][Ring1][S][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]
|
CHEMBL4284684
|
[C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S][=N][C][=C][Ring2][Ring1][#Branch1][Cl]
|
CHEMBL4284685
|
[C][O][C][=C][C][=C][Branch2][Ring1][S][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][/C][=C][\N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL4284686
|
[C][C][C][S][C][=C][Branch1][Branch1][S][C][C][C][C][=Branch1][C][=O][N][Branch2][=C][#Branch1][C][C][O][C][C][O][C][C][O][C][C][O][C][C][=C][N][Branch2][N][#C][C][C][=Branch1][C][=O][N][C@@H1][C][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C@@H1][Branch2][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C][Branch1][C][C][=O][C@H1][N][C][=Branch1][C][=O][C@H1][Branch2][Branch1][C][N][C][Branch1][C][O][C@@H1][Ring2][Ring2][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][N][C][Ring2][Branch1][Branch2][=O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][Ring2][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][Ring2][Branch1][Ring2][=O][N][=N][Ring2][Branch2][#Branch1][C][Ring2][=Branch2][=C][=O]
|
CHEMBL4284687
|
[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][Ring1][C][C][C][Ring2][Ring1][Ring2]
|
CHEMBL4284688
|
[C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1]
|
CHEMBL4284689
|
[O][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C@@H1][Ring1][=Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][N][=N][Ring2][Ring1][C]
|
CHEMBL4284774
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][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][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][N]
|
CHEMBL4284775
|
[C][O][C][=C][C][Branch2][Branch1][O][C@@H1][C][=C][C][=C][Branch2][Ring2][=N][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][Branch2][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][O][Ring1][#C][C@H1][C][O][C][=Branch1][C][=O][C@H1][Ring2][Ring1][=N][Ring1][=Branch1][O][C][O][Ring2][Ring1][=N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Branch2][O]
|
CHEMBL4284776
|
[C][N][Branch1][C][C][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]
|
CHEMBL4284777
|
[C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][=Branch1][C][=O][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][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][Ring1][=N][C][=C][Ring2][Ring2][Branch1]
|
CHEMBL4284778
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][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]
|
CHEMBL4284779
|
[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][#C]
|
CHEMBL4284780
|
[C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=C][N][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=N][O][C][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][=C][=C][Ring2][Ring2][Ring2]
|
CHEMBL4284781
|
[C][=C][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][N]
|
CHEMBL4284867
|
[C][C][Branch1][C][C][C][C][O][C][=C][Branch1][C][Cl][C][=C][Branch2][Ring2][=Branch1][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Ring1][P][C][=C][Ring2][Ring1][N][Ring2][Ring1][P]
|
CHEMBL4284868
|
[F][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL4284869
|
[C][N][C][=N][C][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][=C][Ring1][=C][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][=Branch2]
|
CHEMBL4284870
|
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][S][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2]
|
CHEMBL4284871
|
[C][C][C][C][C][C][C][C][C][C][O][C][C][=C][N][Branch2][N][#C][C@H1][C][=Branch1][C][=O][N][C@@H1][C][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C@@H1][Branch2][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C][Branch1][C][C][=O][C@H1][N][C][=Branch1][C][=O][C@H1][Branch2][Branch1][C][N][C][Branch1][C][O][C@@H1][Ring2][Ring2][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][N][C][Ring2][Branch1][Branch2][=O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][Ring2][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][Ring2][Branch1][Ring2][=O][N][=N][Ring2][Branch2][#Branch1]
|
CHEMBL4284948
|
[C][O][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][=C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL4284949
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=C][Ring1][#C]
|
CHEMBL4284950
|
[O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O]
|
CHEMBL4284951
|
[O][=C][Branch2][Ring1][=N][N][C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O]
|
CHEMBL4284952
|
[N][#C][N][C@H1][C][C][O][C][=C][C][=C][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][#C][Ring2][Ring1][Ring1]
|
CHEMBL4285026
|
[C][C][C][N][Branch2][Ring1][=Branch2][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][N][Ring1][#C][Ring1][=Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][#Branch1]
|
CHEMBL4285027
|
[C][=C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][Ring2][C][C][=C][=C][C][=C][Ring1][=Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Ring2][Ring1][S]
|
CHEMBL4285028
|
[C][C][C@@H1][Branch2][Ring2][N][O][C][=N][C][Branch2][Ring1][O][O][C][=C][C][Branch1][C][C][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][N][=C][Ring1][Branch2][=C][Ring1][#C][=C][Branch1][C][F][C][=C][Ring2][Ring1][#Branch1][F][C][=Branch1][C][=O][O]
|
CHEMBL4285029
|
[C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C][C@H1][Ring2][Ring1][#Branch2][N][C][Branch1][C][C][=O]
|
CHEMBL4285030
|
[C][O][C][=C][C][Branch2][Ring2][=Branch2][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=C][C][NH1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][=Ring1][N][C][=C][Ring1][S][Ring2][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#C][O][C]
|
CHEMBL4285031
|
[C][S][C][=C][C][=C][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch2][=O][C][=C][Ring2][Ring2][C]
|
CHEMBL4285032
|
[C][O][C][=C][C][=C][Branch2][Branch1][N][N][C][=Branch1][C][=S][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][C][=C][Ring2][Ring2][O]
|
CHEMBL4285112
|
[N][#C][/C][=Branch1][S][=C][\C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL4285113
|
[O][=C][Branch1][S][N][/N][=C][/C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL4285114
|
[C][O][C][=C][C][Branch2][=Branch1][C][C@@H1][C][=C][C][=C][Branch2][Branch1][Ring2][C][=C][Ring1][=Branch1][C@H1][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][=N][Ring1][#C][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring1][S][O][C][O][Ring2][Ring1][S][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][O][O][C]
|
CHEMBL4285115
|
[C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1]
|
CHEMBL4285116
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][C][C][Branch2][Ring2][Ring1][O][C][=C][C][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][O][C][C][Ring2][Ring1][O]
|
CHEMBL4285117
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][N][=N][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][=C][Ring1][#C][N][=C][Ring2][Ring1][=Branch1]
|
CHEMBL4285200
|
[O][=C][NH1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][=C][Branch1][N][N][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][NH1][Ring2][Ring1][Branch2]
|
CHEMBL4285201
|
[N][C][=N][C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][N][=N][NH1][C][Ring1][Branch1][=N][Ring2][Ring1][C]
|
CHEMBL4285202
|
[C][C@@H1][C][O][C][C@@H1][Branch1][C][C][N][Ring1][#Branch1][C][=N][C][Branch1][P][C][=C][N][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Branch1][C][F][F][=N][C][Branch1][=N][N][C@H1][Branch1][C][C][C][O][C][C@H1][Ring1][#Branch1][C][=N][Ring2][Ring1][Branch2]
|
CHEMBL4285203
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][C][C][N][C@H1][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1]
|
CHEMBL4285284
|
[O][=C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][#Branch1]
|
CHEMBL4285285
|
[C][C@H1][Branch2][Ring2][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring1][=Branch1][C][N][C][=N][C][=C][Branch1][C][Br][N][Branch1][C][C][N][=C][Ring1][#Branch1][C][Ring1][O][=O][C][C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4285286
|
[C][N][Branch1][C][C][C][C][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][S][C][N][N][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][#Branch2]
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CHEMBL4285287
|
[O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][O][=C][Ring1][=N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][Ring2][Ring2][C]
|
CHEMBL4285288
|
[C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][N][C][C][C][O][=C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL4285289
|
[C][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch2]
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CHEMBL4285360
|
[Cl].[O][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][Ring1][=N][NH1][Ring1][S]
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CHEMBL4285361
|
[C][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Ring1][=N][Ring1][Branch1]
|
CHEMBL4285362
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL4285363
|
[C][C@H1][Branch2][Ring2][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F]
|
CHEMBL4285364
|
[C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][C][Ring1][=C]
|
CHEMBL4285365
|
[C][O][C][=C][C][O][C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][O][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N][C][=C][Ring2][Ring1][O][=C][C][=Branch1][C][=O][C][=Ring2][Ring2][C][C][Branch1][C][O][=C][Ring2][Ring2][#Branch1][O][C]
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CHEMBL4285451
|
[C][O][C][=C][C][Branch2][Ring1][Branch2][S][C][=C][NH1][C][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][C][=C][C][=C][Ring1][=C][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C]
|
CHEMBL4285452
|
[C][C@H1][C@H1][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][#Branch1][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][C@@H1][Branch1][#C][O][C][=Branch1][C][=O][C][N][C][C][O][C][C][Ring1][=Branch1][C@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][Branch1][C][C][C@][Ring2][Ring1][=Branch2][Ring2][Ring1][#C][C][C@H1][Ring2][Ring2][#Branch2][Ring2][Ring2][Branch1]
|
CHEMBL4285453
|
[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S]
|
CHEMBL4285454
|
[C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][#C].[Cl]
|
CHEMBL4285455
|
[C][O][C][=C][C][=C][Branch2][=Branch1][Ring1][N][C][C][N][Branch2][Branch1][#Branch1][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=N][C][C][Ring2][Ring2][#Branch1][C][=C][Ring2][Ring2][=N]
|
CHEMBL4285456
|
[C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][N][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][C][N][C][C][=Branch1][C][=O][N][Branch1][S][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Branch1][C][N][=O]
|
CHEMBL4285457
|
[C][O][C][=C][C][=C][Branch2][Ring2][=N][O][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch2][F][C][=C][N][=C][Ring2][Ring2][C][C][=C][Ring2][Ring2][=Branch1][O][C][C][C][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1]
|
CHEMBL4285540
|
[C][O][C][C][N][/C][=Branch2][Ring1][=Branch2][=C][/N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Branch1][C][C][O][C][C][Ring1][#C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
|
CHEMBL4285541
|
[C][O][C][=C][C][Branch2][Ring1][=C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][=Branch2][O]
|
CHEMBL4285542
|
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][P][Ring1][#Branch1]
|
CHEMBL4285543
|
[C][C@H1][C][C][C@@][Branch1][Branch1][O][C][Ring1][=Branch1][O][C@H1][C][C@H1][C@@H1][C][C][C@@H1][C][C@@H1][Branch2][Ring2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S][C][C][C@][Ring2][Ring1][=Branch2][Branch1][C][C][C@H1][Ring2][Ring1][=C][C][C][C@][Ring2][Ring2][C][Branch1][C][C][C@H1][Ring2][Ring2][=Branch1][C@@H1][Ring2][Ring2][O][C]
|
CHEMBL4285544
|
[O][=C][Branch1][C][O][C@H1][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C@H1][Ring2][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4285545
|
[C][O][C][C][N][C@H1][C][C][C@H1][Branch2][Ring2][Ring1][N][C][=C][C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][Branch1][=N][Ring1][N][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][#Branch2]
|
CHEMBL4285619
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][C][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][N][=O]
|
CHEMBL4285620
|
[F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][#C][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]
|
CHEMBL4285621
|
[C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL4285622
|
[O][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][N][Ring1][#C][C][C][=C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=N][Ring1][N]
|
CHEMBL4285623
|
[C][C@@][C][C][C@H1][C@@H1][C][C][C][C@@H1][Branch2][=Branch1][#C][C][=Branch1][C][=O][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][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][=O][C@@][Branch1][C][C][Branch1][Branch2][C][C][C@@H1][Ring1][=C][Ring1][=Branch2][C][Ring1][#Branch2][C@H1][Ring2][Branch1][=Branch1][C][C][C@][Ring2][Branch1][#Branch2][Branch1][#Branch1][C][C][Ring2][Branch1][#C][=O][C][Ring2][Branch1][P].[Br-1].[Br-1]
|
CHEMBL4285699
|
[O][=C][Branch2][Ring1][N][/C][=C][/C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
CHEMBL4285700
|
[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O]
|
CHEMBL4285701
|
[N][#C][C][Branch2][=Branch1][Ring1][C][=C][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=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][#Branch2][=C][C][=N][Ring2][Ring1][P][C][C][Ring2][Ring2][Ring2]
|
CHEMBL4285702
|
[C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][P][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][Ring1][O][C][C][C@@H1][Branch1][C][C][/C][=Branch1][=N][=N][/O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Branch1][=Branch2][Branch1][C][C][O]
|
CHEMBL4285703
|
[C][C][S][C][Branch2][Ring1][#Branch2][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][O][=C][C][=Ring2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][F][S][Ring1][=Branch1].[Cl]
|
CHEMBL4285784
|
[C][O][C][=C][C][=N][C][Branch1][=N][N][C][C][C][Branch1][Ring1][O][C][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][N][C][=C][Ring2][Ring1][S][O][C]
|
CHEMBL4285785
|
[C][O][C][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][=N][N][C][=N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Branch1]
|
CHEMBL4285786
|
[F][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][F]
|
CHEMBL4285787
|
[C][O][C][=C][C][Branch2][Ring1][#Branch1][C][N][N][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=C][N][Ring1][Branch2][C][Ring1][N][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C]
|
CHEMBL4285788
|
[C][C][C][C][C][C][C][C][C][N][C][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=N][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]
|
CHEMBL4285789
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring2][O][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#C][C][C][C@][Ring2][Ring1][Ring1][Ring2][Ring1][Branch2][C][C@@H1][Ring2][Ring2][Ring1][Ring2][Ring1][S]
|
CHEMBL4285790
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][N][=C][C][=C][Branch1][P][C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][N][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1]
|
CHEMBL4285875
|
[C][C][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=C][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Ring1][=Branch1][C][Ring1][P][=O][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL4285876
|
[C][C][C][S][C][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][N][=C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][O][=N][Ring2][Ring1][=Branch1]
|
CHEMBL4285877
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][S][C@@H1][C][C][O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2][C][=C][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL4285878
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][Branch1]
|
CHEMBL4285964
|
[C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][S]
|
CHEMBL4285965
|
[C][O][C][=C][C][=C][Branch3][Ring1][Ring1][Branch1][C][N][Branch2][=C][P][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][#Branch2][#Branch2][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][=N][C]
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CHEMBL4285966
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[C][O][C][C][C][C][C][N][=C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][S][C][=Ring1][S][Ring2][Ring1][Ring2]
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CHEMBL4285967
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[C][C][C][N][C][=Branch1][C][=O][O][C@@H1][Branch1][Ring1][C][#N][C@H1][Branch1][O][C][C@@H1][C][C][C][N][C][Ring1][=Branch1][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1]
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CHEMBL4285968
|
[C][=C][Branch1][=N][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][Branch2][O][C][=Branch1][C][=O][C][Br][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][Branch2][O][C][=Branch1][C][=O][C][Br][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][=C][C][C][C@][Ring2][Ring1][C][Ring2][Ring1][N][C]
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CHEMBL4285969
|
[C][N][N][=C][Branch2][Ring2][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][P]
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CHEMBL4285970
|
[C][S][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1]
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CHEMBL4286039
|
[N][#C][C][Branch2][Branch1][N][C][=C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring2][Ring1][Branch2][=C][C][=N][Ring2][Ring1][#C][C][C][Ring2][Ring2][C]
|
CHEMBL4286040
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][S][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=C][=C][Ring2][Ring1][Branch1]
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CHEMBL4286041
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=N][C][=Ring1][=C][Ring2][Ring1][#Branch1]
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CHEMBL4286042
|
[O][/N][=C][C][=Branch1][Ring1][=N][\O][\C][C][C][C][C][Branch1][Branch2][C][C][-\Ring1][O][C][Ring1][=Branch1][C][Ring1][=Branch2]
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