chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL4285001
|
[N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring1][=C][O][C][C][O][C][=N][O][N+1][Branch1][C][O-1][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][Branch1]
|
CHEMBL4285002
|
[O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][Ring2][Ring1][Ring1][Ring1][=N]
|
CHEMBL4285003
|
[O][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][=N][C][=Ring1][#Branch2][Ring2][Ring1][Ring1]
|
CHEMBL4285079
|
[C][C][O][C][=C][C][=C][Branch2][Ring2][O][C][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring2][Ring1][Branch1][N][C][=C][Ring2][Ring1][N]
|
CHEMBL4285080
|
[F][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch1][=N][C][=N][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][#C]
|
CHEMBL4285081
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=N][Ring2][Ring1][=N]
|
CHEMBL4285082
|
[C][O][C][=C][C][=C][Branch2][Ring2][S][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][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][C][=C][Ring2][Ring1][O][F][C][=C][N][=C][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][#Branch1][O][C][C][C][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1]
|
CHEMBL4285083
|
[C][=C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Branch1][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][#C][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][S][=N][Ring2][Ring1][#Branch2][C][Ring2][Ring1][#C]
|
CHEMBL4285167
|
[C][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][C@H1][Branch1][C][O][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Branch2][Ring1][#Branch1]
|
CHEMBL4285168
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][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][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O][C][Branch1][C][C][C]
|
CHEMBL4285169
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][S][C][=N+1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][=C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][=N][O][C][O][Ring1][#Branch2][=C][Ring2][Ring1][#Branch1][O][C].[Br-1]
|
CHEMBL4285170
|
[C][C][=C][C][Branch2][Ring1][S][C][=N][C][=C][C][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Branch1][C][N][O][C][Ring2][Ring1][C][=Ring1][=C][=C][C][=N][Ring2][Ring1][Branch2]
|
CHEMBL4285171
|
[C][O][C][=C][C][=C][C][Branch2][Branch1][=Branch2][C][=N+1][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][C][=Branch1][S][=C][C][=Branch1][#Branch1][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2][O][C][O][Ring1][#Branch2][=C][Ring2][Ring2][Ring1][O][C].[Br-1]
|
CHEMBL4285254
|
[C][C][C][/N][=C][\S][/C][=Branch1][P][=C][\C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
|
CHEMBL4285255
|
[C][C@@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][#Branch2]
|
CHEMBL4285256
|
[N][=C][Branch1][Ring1][C][Cl][N][C][C][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring2][Ring1][C][Ring1][=Branch2]
|
CHEMBL4285257
|
[C][C][Branch1][C][C][N][Branch2][Ring1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C@H1][O][C@@H1][Branch2][Ring1][=C][N][C][=N][C][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Branch2][O]
|
CHEMBL4285258
|
[C][O][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][=C][C][=Branch1][C][=O][/C][=C][/C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][C@H1][Ring2][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4285329
|
[C][C][N][Branch1][Ring1][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][\C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O]
|
CHEMBL4285330
|
[O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][C][C][=C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=N][Ring1][O][=C][Ring1][P]
|
CHEMBL4285331
|
[O][=C][Branch2][Ring1][#Branch1][N][C][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1]
|
CHEMBL4285332
|
[C][O][C][=C][C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][NH1][C][Ring1][Branch1][=N][C][=C][Ring1][=Branch2][C][=Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][O][C]
|
CHEMBL4285418
|
[C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch1][#C][C][C][C@@H1][Branch1][C][O][C@@][Ring1][Branch2][Branch1][C][C][C][O][C@@H1][Ring1][#C][C][C][Branch1][#Branch2][S][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL4285419
|
[O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][S][C][=C][C][=Ring1][Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
|
CHEMBL4285420
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][=N][C][=C][C][=C][Branch2][Ring1][P][C][O][C@H1][C][O][C@][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O][C][C][Ring2][Ring1][P]
|
CHEMBL4285421
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL4285422
|
[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][=C][/C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
|
CHEMBL4285423
|
[O][=P][Branch1][C][O][Branch1][C][O][O][C@@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][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][Ring2][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][O]
|
CHEMBL4285504
|
[Cl][C][=C][C][=C][Branch2][Ring2][C][C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][N][C][=Ring1][#C][C][N][C][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL4285505
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][=N][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C]
|
CHEMBL4285506
|
[C][C][=C][C][Branch1][Branch1][/C][=C][/C][#N][=C][C][Branch1][C][C][=C][Ring1][O][N][C][=N][C][Branch2][Ring1][S][N][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][C][Ring1][P][=N][C][C][=C][S][C][Ring2][Ring1][O][=Ring1][Branch1]
|
CHEMBL4285507
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][=Branch1][C][N][C][=C][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][N][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL4285508
|
[C][O][C][=C][C][Branch1][C][O][=C][Branch2][#Branch1][Ring1][C][=C][C][Branch2][Branch1][#Branch1][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Branch1][Ring1][O][C][C][=C][C][Branch2][Ring1][#Branch2][C][=C][Branch1][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][C][C@@H1][Branch1][C][C][N][C@@H1][Ring1][#Branch1][C][=C][Ring2][Ring1][=N][Ring2][Ring1][#Branch1][=C][Branch1][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][C][C][=C][Ring2][Ring2][O][Ring1][=Branch2][C][=C][Ring2][Branch1][C][C@@H1][Branch1][C][C][N][C@H1][Branch1][C][C][C][Ring1][Branch2]
|
CHEMBL4285509
|
[C][O][C][=C][C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C]
|
CHEMBL4285510
|
[C][#C][C][C][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P]
|
CHEMBL4285511
|
[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][#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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][#C][C][N][C][=Branch1][C][=N][N][C][Branch1][C][C][C]
|
CHEMBL4285590
|
[N][C][=N][C][O][C][=C][C][Branch1][C][F][=C][Branch1][=Branch2][C][=C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL4285591
|
[Cl][C][=C][C][=C][Branch2][Ring1][P][C][N][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][N][C][=Ring1][#C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][N]
|
CHEMBL4285592
|
[C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][C][Branch1][C][C][Branch1][C][C][C][/C][Branch1][C][C][=N][/N][=C][\C][C@][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring2][=Branch1][C][C][C][C@@][Ring1][#Branch1][Branch1][C][C][C][=Branch1][C][=O][N][/N][=C][Branch1][C][\C][C][C][Branch1][C][C][Branch1][C][C][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C][C@@H1][Ring2][Ring1][N][C][C][C@@][Ring2][Ring1][P][Branch1][C][C][C][Ring2][Ring1][P]
|
CHEMBL4285593
|
[C][C][=C][N][=C][Branch1][S][N][C][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Branch2][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][C][=Ring1][S][C][C@@H1][Ring2][Ring1][=Branch2][C][C][=C][Ring2][Ring2][C][=C][Ring2][Branch1][Ring2]
|
CHEMBL4285594
|
[O][=C][Branch1][C][O][C][#C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL4285669
|
[Cl][C][=C][C][=C][Branch2][Ring2][=Branch1][C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][N][C][=Ring1][#C][C][N][C][C][N][N][=C][N][=C][Ring1][Branch1][C][Ring1][=Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL4285670
|
[C][=C][C][C@][C][C@@][Ring1][Branch1][Branch1][C][O][C][C][C@H1][Ring1][#Branch1][C@@][C][=C][C@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][#Branch2][C@H1][Ring1][O][C@@H1][Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL4285671
|
[O][=C][Branch2][Ring1][=C][N][C][=C][N][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4285672
|
[C][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][S][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][C][Ring2][Ring1][O]
|
CHEMBL4285673
|
[C][C][=Branch1][C][=O][/C][=C][/C][=C][N][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][Ring1][#Branch2]
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CHEMBL4285753
|
[N][#C][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1][=C][Ring2][Ring1][=N]
|
CHEMBL4285754
|
[O][=C][C][=C][C][=C][C][=C][Branch1][=N][O][C][C][C][C][C][C][C][C][C][C][Br][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][=Branch1]
|
CHEMBL4285755
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=C][N][C][C][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Ring1][Branch2][N][=Ring1][S][=C][Ring2][Ring1][Branch2]
|
CHEMBL4285756
|
[O][=N+1][Branch1][C][O-1][/C][=C][\C][=C][C][=C][S][Ring1][Branch1]
|
CHEMBL4285757
|
[C][C][C][C][C][C][C][C][=Branch1][C][=O][C@H1][C][=Branch1][C][=O][O][C@@][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][=O][=C][C][=C][Branch1][C][C][O][C][=C][Ring1][#Branch1][C@H1][Ring2][Ring1][Ring1][Ring1][#C]
|
CHEMBL4285844
|
[C][C][C][C][C][C][C][/C][=Branch1][Ring1][=N][\O][C][=C][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][F][=C][Ring1][Branch2][=C][C][=C][Ring1][=C][O]
|
CHEMBL4285845
|
[C][N][Branch2][Branch1][Branch2][C][C][=C][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Branch2][Ring1][Branch2][C][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C][N][Ring2][Ring1][N][C][=Ring2][Ring1][S][S][Branch1][C][C][=Branch1][C][=O][=O]
|
CHEMBL4285846
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][C@H1][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch2][O]
|
CHEMBL4285847
|
[Cl][C][=C][C][=C][Branch2][Ring2][=Branch1][C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][N][Ring1][N][C][=Ring1][#C][C][N][C][C][N][N][=C][N][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Branch1][C][Cl][=C][Ring2][Ring1][S]
|
CHEMBL4285848
|
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=N][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][Ring1][=N]
|
CHEMBL4285849
|
[C][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][N][Ring1][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][N][=C][Branch1][C][\C][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1]
|
CHEMBL4285850
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][S][C][=N+1][C][=C][Ring1][=Branch1][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=Branch1][S][=C][C][=Branch1][#Branch1][=C][Ring1][=Branch1][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch1][O][C][O][Ring1][#Branch2][=C][Ring2][Ring1][#C][O][C].[Br-1]
|
CHEMBL4285932
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][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]
|
CHEMBL4285933
|
[C][O][C][C][C][N][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][C][Ring2][Ring1][C]
|
CHEMBL4285934
|
[C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][=Branch1][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@@H1][C][C@@][Branch1][C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C@][Ring2][Ring1][#Branch1][Branch1][C][C][C][C][C@][Ring2][Ring1][N][Ring2][Ring2][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][=C][=O]
|
CHEMBL4285935
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][O][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL4285936
|
[C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][#Branch2][C][Ring2][Ring1][Ring2][Ring2][Ring1][Branch2]
|
CHEMBL4286012
|
[C][C][=N][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=C][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL4286013
|
[C][C][=C][C][=C][C][N][=C][Branch2][Ring1][Branch1][N][/N][=C][\C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][S][C][Ring2][Ring1][Branch1][=Ring1][P]
|
CHEMBL4286014
|
[Cl][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring2][Ring1][C]
|
CHEMBL4286015
|
[O][=C][/C][=Branch1][S][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][/C][Ring2][Ring1][=Branch2][=C][\C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]
|
CHEMBL4286091
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL4286092
|
[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring2][Ring1][Ring2][Ring1][#Branch2]
|
CHEMBL4286093
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][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][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL4286094
|
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][/N][=C][/C][=Branch1][C][=O][N][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][=C][Ring2][Ring1][O]
|
CHEMBL4286095
|
[C][C][=C][C][=C][Branch2][=Branch1][N][C][N][C][C][N][Branch2][Branch1][#C][C][=Branch1][C][=O][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch2][C][C@@H1][O][C@][Branch1][O][C][C][C@H1][Branch1][C][C][C][O][Ring1][#Branch1][C@@H1][Branch1][C][C][C@@H1][Ring1][N][Ring1][S][C@@H1][Ring2][Ring1][Ring2][C][C][C@@H1][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=N][C][C][Ring2][Ring2][=Branch1][C][=C][Ring2][Ring2][=N]
|
CHEMBL4286096
|
[C][O][C][=C][C][=C][C][Branch2][#Branch1][Ring1][C][O][C][=C][Branch2][Branch1][=C][C][=C][C][=C][Branch2][Branch1][C][O][C][C][O][C][C][N][C][=C][Branch2][Ring1][P][C][C][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][O][C][=C][Ring2][Ring2][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][P][=O][=C][Ring2][Branch1][#Branch2]
|
CHEMBL4286097
|
[O][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][S][Ring1][#C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][=Branch2][F]
|
CHEMBL4286175
|
[C][C][C][C][C][C][N][C][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2]
|
CHEMBL4286176
|
[N][#C][C][=C][NH1][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][N].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL4286177
|
[C][C][C][=C][C][=N][C][=C][N][Ring1][Branch1][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][#C][O][C][=N][C][=C][C][O][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][S]
|
CHEMBL4286178
|
[O][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C]
|
CHEMBL4286179
|
[O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][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]
|
CHEMBL4286180
|
[C][O][C][=C][C][Branch2][Ring2][#Branch1][N][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N+1][Branch1][C][O-1][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][Ring1][Branch2][=N+1][Ring1][=C][O-1][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring2][C]
|
CHEMBL4286181
|
[N][#C][C][Branch2][Branch1][N][C][=C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C@H1][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][C][=N][Ring2][Ring1][#C][C][C][Ring2][Ring2][C]
|
CHEMBL4286182
|
[C][O][C][=C][C][Branch2][Branch1][Ring1][C@@H1][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][Ring1][=Branch1][C@@H1][Branch1][P][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring1][Branch2][O][C][O][Ring2][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring1][O]
|
CHEMBL4286274
|
[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][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][=O]
|
CHEMBL4286275
|
[C][C][C][=C][Branch1][C][O][N][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][N][=Ring1][#C]
|
CHEMBL4286276
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL4286277
|
[O][C][=C][C][=C][Branch2][Ring2][Branch1][O][C][=Branch1][C][=S][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P][C][=C][Ring2][Ring1][O]
|
CHEMBL4286364
|
[C][C][C][C][C][C][Branch1][C][C][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][N][Ring1][#Branch2][C][Branch1][C][C][=O]
|
CHEMBL4286365
|
[O][C][Branch1][C][F][Branch1][C][F][C][N][C][=N][C][Branch1][S][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=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]
|
CHEMBL4286366
|
[C][N][C][=C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][C][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][C][=N][Ring1][Branch2][=C][C][=C][Ring1][P][Ring2][Ring1][P]
|
CHEMBL4286367
|
[C][C][=C][C][=C][Branch2][Ring2][Ring2][C][N][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL4286453
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C@@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring1][C][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL4286454
|
[C][N][C][=C][C][=C][Branch2][Ring2][S][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][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][C][=C][Ring2][Ring1][O][F][C][=C][N][=C][Ring2][Ring2][Ring1][Ring2][Ring2][=Branch1]
|
CHEMBL4286455
|
[C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][=Branch2][N][=C][N][Ring1][Branch1][C][C][C][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][C][N][Branch1][Branch1][C][C][C][C][C][Ring2][Ring2][=Branch1][=O]
|
CHEMBL4286456
|
[C][N][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][C][=Ring2][Ring1][#Branch1][C][Branch1][C][N][=O]
|
CHEMBL4286457
|
[C][C][N][C][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][Ring2][Ring1][N][=O]
|
CHEMBL4286458
|
[C][N][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C@H1][Branch2][#Branch1][S][C][=C][C][=C][Branch2][#Branch1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C@@H1][C][N][Branch1][C][C][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][=N][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Branch1][=N][C][Ring2][=Branch1][=Branch2].[Cl].[Cl]
|
CHEMBL4286548
|
[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][Branch1][Ring1][C][#N][C][C][Ring1][Branch1]
|
CHEMBL4286549
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Branch1][#Branch1][C][C][C][=C][C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][=C][C][=C][Ring2][Ring1][#Branch2][O][Ring2][Ring1][=C][C][C][Ring2][Ring2][Ring1]
|
CHEMBL4286550
|
[C][N][C][C][N][Branch2][Ring2][Branch1][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][=C][NH1][N][=Ring1][Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][N]
|
CHEMBL4286551
|
[C][C][C][=C][C][Branch1][=Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][O]
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