chembl_id
stringlengths 7
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stringlengths 3
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CHEMBL4284284
|
[N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2]
|
CHEMBL4284285
|
[O][=C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1]
|
CHEMBL4284376
|
[F][C][Branch1][C][F][C][C][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][=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][O][C][Ring2][Ring2][C]
|
CHEMBL4284377
|
[C][C][N][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][S][C][Ring1][#Branch2][=S]
|
CHEMBL4284378
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][=C][S][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=S][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][P][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL4284379
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][N][=C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][S][Ring1][S]
|
CHEMBL4284459
|
[C][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
CHEMBL4284460
|
[O][=C][N][C][=Branch1][C][=S][S][/C][Ring1][=Branch1][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O]
|
CHEMBL4284461
|
[C][O][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][=Branch1]
|
CHEMBL4284462
|
[C][N][Branch2][Branch1][=Branch2][C][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][Branch2][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][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][Branch2][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL4284463
|
[C][C][C][C][N][Branch1][C][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][Branch1][#C][C@H1][C][C][C@][Branch1][C][N][Branch1][Ring1][C][O][C][Ring1][Branch2][C][=C][Ring1][=C][C][C][Ring2][Ring1][Ring1]
|
CHEMBL4284547
|
[C][N][C][C][C][Branch2][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2][=C][Branch2][Ring1][C][C][=C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][=N][Ring1][O][S][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][S]
|
CHEMBL4284548
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][S][C][=C][Ring2][Ring1][Ring2][Br]
|
CHEMBL4284549
|
[2H][C][Branch1][C][2H][Branch2][Ring1][=N][C][C][=C][C][=C][Branch1][P][O][C][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O]
|
CHEMBL4284627
|
[C][C][C@H1][Branch1][C][C][C@@H1][Branch2][Ring2][=C][C][=Branch1][C][=O][O][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][O][C][N][Branch1][C][C][C]
|
CHEMBL4284628
|
[C][C][C@H1][C][C][/C][=Branch1][#C][=C][\C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][Ring1][#Branch1][=O][O][Ring1][=N]
|
CHEMBL4284629
|
[C][O][C][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][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][C][C][C][Ring1][Ring1][=C][C][=N][Ring2][Ring1][N]
|
CHEMBL4284630
|
[C][C][C][C][C][C][C][C][C][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=N][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Ring2][Ring1][Branch2][=O]
|
CHEMBL4284631
|
[O][=C][Branch1][C][O][C][C][C][C][=C][S][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch2]
|
CHEMBL4284632
|
[C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Branch1][=Branch2][C][N][C][=C][Branch2][Ring2][=N][C][C][C][C][=C][N][Branch2][Ring1][#C][C][/C][=C][/C][C][C@@][Branch1][C][C][O][C@H1][Ring1][Ring2][C@H1][O][C][=Branch1][C][=O][C][=Branch1][C][=C][C@@H1][Ring1][#Branch1][C][C][Ring1][P][N][=N][Ring2][Ring1][#Branch1][N][=N][Ring2][Ring1][#C][=C][\C][C][C@@][Branch1][C][C][O][C@@H1][Ring2][Ring2][N][Ring1][Ring2]
|
CHEMBL4284720
|
[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][S][Ring1][S]
|
CHEMBL4284721
|
[C][=C][Branch2][Branch1][=Branch1][/C][=C][/C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C][=Branch1][C][=O][C@H1][O][C@][Ring1][Ring1][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][C][C][C][C@@][Ring2][Ring1][=Branch1][Ring2][Ring1][=Branch2][C][C][Branch1][C][C][C]
|
CHEMBL4284722
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C@H1][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][O][O]
|
CHEMBL4284723
|
[O][=C][Branch1][C][O][C][C][C][O][C][=C][C][Branch1][#C][O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1]
|
CHEMBL4284724
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=N][C][Branch1][=C][N][C][=C][C][=N][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=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][=Branch2]
|
CHEMBL4284813
|
[C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][C@H1][Branch1][C][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@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O]
|
CHEMBL4284814
|
[F][C][Branch1][C][F][C][C][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][=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][=N][C][C][Ring2][Ring2][Branch1]
|
CHEMBL4284815
|
[C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring1][#Branch2][C][N][C][=C][Branch1][S][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][N][=N][Ring1][=C][=C][\C][C][C@@][Branch1][C][C][O][C@@H1][Ring2][Ring1][O][Ring1][Ring2]
|
CHEMBL4284816
|
[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][N][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][Ring2][Ring1][=C][O][C]
|
CHEMBL4284817
|
[C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
CHEMBL4284818
|
[C][=C][C][C][C][C@@][Branch1][C][C][Branch2][Branch1][S][C][=Branch1][C][=O][O][C][C][C][C][C][C][O][C][=Branch1][C][=O][C@@H1][C][Branch1][Ring1][C][=O][=C][C][=C][C][=C][Branch2][Ring1][N][C][=C][Ring1][=Branch1][C@H1][Ring1][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][C][O][Ring2][Ring1][Ring2][C][C][C][C@][Ring2][Ring2][=C][Branch1][C][C][C@H1][Ring2][Branch1][Ring1][C][C][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring1][=C][=C][Ring2][Ring1][C]
|
CHEMBL4284819
|
[O][=C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C]
|
CHEMBL4284820
|
[C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][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][=N][C][=C][Ring2][Ring2][Branch1]
|
CHEMBL4284903
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][N][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4284904
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL4284905
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Branch2][O][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@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][#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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][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@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][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][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][Branch2][C][C][C][Branch1][C][N][=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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C]
|
CHEMBL4284906
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][N][O][C]
|
CHEMBL4284980
|
[C][C][Branch1][C][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][Branch1]
|
CHEMBL4284981
|
[C][C][C@H1][C][C][C][C][C][Branch1][=N][C][C][C@@][Ring1][=Branch1][Branch1][C][C][N][Ring1][O][C][C@][Ring1][N][Branch1][C][C][N][C][Branch1][C][C][=O]
|
CHEMBL4284982
|
[C][C@H1][C@H1][Branch1][C][C][C][C][C@][Branch1][=C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C][=Branch2][Ring1][#C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C][N][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][=Branch1][Ring2][Ring1][P]
|
CHEMBL4284983
|
[C][O][C][C][C][C][C][N][=C][Branch1][#Branch2][N][N][C][C][O][C][C][Ring1][=Branch1][S][C][=Ring1][N][Ring1][S]
|
CHEMBL4284984
|
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C@H1][C][C][C@H1][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][C][O][Ring2][Ring1][=N]
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CHEMBL4285061
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[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring1][P][O][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][#Branch2]
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CHEMBL4285062
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][O][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
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CHEMBL4285063
|
[C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][N][Ring2][Ring1][Branch2][Ring1][=C][C][C][Ring2][Ring1][#C]
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CHEMBL4285149
|
[O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][Branch2][N][N][=C][C][=C][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][Branch1]
|
CHEMBL4285150
|
[C][C][C][C][C][=N][C][Branch1][C][Cl][=C][Branch2][Ring1][=Branch2][C][O][C][=C][C][=C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=O][N-1][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][N][Ring2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N-1][N][=Ring1][Branch1][C][=C][Ring1][P].[K+1].[K+1]
|
CHEMBL4285151
|
[O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][=Branch2][=C][\C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br]
|
CHEMBL4285152
|
[O][=C][Branch1][N][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][N][=C][C][Branch1][C][F][=C][C][=C][C][Ring1][#Branch1][=C][Ring1][O][O]
|
CHEMBL4285153
|
[C][C][O][C][=C][C][=N][C][Branch2][Ring2][Ring1][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][C][Ring1][Branch2][=C][Ring2][Ring1][N]
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CHEMBL4285234
|
[C][O][C@@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][Branch1][O][C][=C][C][Branch1][C][O][=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][Ring2][O][C][Ring2][Ring1][=N][Branch1][C][C][C]
|
CHEMBL4285235
|
[C][=C][C][=C][Branch2][Ring2][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch2][C][N][C][=N][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][Ring1][#C][C][Ring2][Ring1][O][C][=C][Ring2][Ring1][P]
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CHEMBL4285236
|
[C][N][C][=N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][=Branch2][Ring1][#Branch2]
|
CHEMBL4285237
|
[C][C][Branch1][C][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][NH1][Ring1][O][C][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][#Branch1]
|
CHEMBL4285312
|
[C][C][Branch1][C][O][Branch1][O][C][N][S][Branch1][C][C][=Branch1][C][=O][=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]
|
CHEMBL4285313
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][O][C][=Branch1][C][=O][C@H1][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL4285314
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring1][P]
|
CHEMBL4285315
|
[C][O][C][=C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][NH1][Ring1][O][C][Ring1][S][=C][Ring2][Ring1][Ring2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=C][O][C]
|
CHEMBL4285398
|
[C][C][C][Branch1][Ring1][C][C][O][C][=C][C][=C][Branch2][Ring2][C][C][N][C@H1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C@@H1][Branch1][=Branch2][O][C][Branch1][Ring1][C][C][C][C][C@@H1][Ring1][#C][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][O]
|
CHEMBL4285399
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][/C][=N][/N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][O][C]
|
CHEMBL4285400
|
[C][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=N][N][C][=Branch1][#C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][S][=N][Ring2][Ring1][Branch2]
|
CHEMBL4285401
|
[C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Ring1][#Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl]
|
CHEMBL4285485
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL4285486
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][Branch1][Branch2][C][=C][N][=C][S][Ring1][Branch1][=N][C][=Ring1][#Branch2][Ring2][Ring1][Ring1]
|
CHEMBL4285487
|
[O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][P][=O]
|
CHEMBL4285488
|
[O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]
|
CHEMBL4285489
|
[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][O][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]
|
CHEMBL4285570
|
[C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][N][Ring1][=Branch1][C][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL4285571
|
[C][C][=C][C][Branch2][Ring1][P][C][=N][C][=C][C][C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][=C][Branch1][C][N][O][C][Ring2][Ring1][Ring1][=Ring1][#C][=C][C][=N][Ring2][Ring1][=Branch2]
|
CHEMBL4285572
|
[C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][N][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][=C][C][=N][C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][N][Ring2][Ring1][#Branch1][Ring1][N][C][C][Ring2][Ring1][=C]
|
CHEMBL4285573
|
[C][C][Branch1][C][C][C][=N][C][=C][Branch2][Ring2][#Branch2][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][#Branch1][F][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][N][=C][Ring2][Ring2][=Branch1][NH1][Ring2][Ring2][=Branch2]
|
CHEMBL4285574
|
[C][C@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch2][C][C@][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4285575
|
[C][O][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][/C][=Branch1][S][=N][/N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][=O]
|
CHEMBL4285649
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C]
|
CHEMBL4285650
|
[C][C][C][C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][S][C][=C][C][=Branch1][C][=O][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][O][C][=C][N][Ring1][=C][Ring2][Ring1][S]
|
CHEMBL4285651
|
[O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
|
CHEMBL4285652
|
[C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][C@H1][Branch1][C][C][C][C@@][Branch1][C][C][Branch1][C][O][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@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Ring1][C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][#Branch1][C]
|
CHEMBL4285653
|
[C][C][=C][C][=C][Branch2][Ring2][#C][C][Branch2][Ring1][Ring1][/C][=C][/C][N][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][P]
|
CHEMBL4285654
|
[O][=C][Branch1][C][O][C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][Ring1][Branch1][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2]
|
CHEMBL4285728
|
[C][C][Branch1][C][C][=C][C][C][=C][Branch2][Ring1][Branch1][O][C][C][=C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL4285729
|
[C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch2][Ring2][=C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][/C][=C][/N][C][=Branch1][C][=O][/C][=C][/C][=C][/C][C][C][/C][=C][/C][C][C@@H1][Branch1][C][C][O][N][C][Ring2][Ring2][#Branch1][=O][N][C][Ring2][Ring2][Branch1][Branch1][C][C][C]
|
CHEMBL4285730
|
[C][C][O][C][C][=C][C][=C][Branch2][Ring2][N][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][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=C]
|
CHEMBL4285731
|
[C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C@][Ring2][Ring1][#Branch2][Ring1][O][C]
|
CHEMBL4285825
|
[C][N][Branch1][C][C][C][=Branch1][C][=S][N][/N][=C][\C][N][Branch2][Ring1][#Branch1][C][C][C][C][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2]
|
CHEMBL4285826
|
[N][C][=Branch1][C][=O][C][=C][C][=N+1][Branch2][Ring1][Branch2][C][C][C][C][N+1][=C][C][Branch1][C][Cl][=C][Branch1][Ring2][/C][=N][/O][C][Branch1][C][Cl][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1].[Br-1].[Br-1]
|
CHEMBL4285827
|
[C][O][C][=C][C][=C][Branch2][Ring2][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][/C][=C][\N][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=N]
|
CHEMBL4285912
|
[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][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][NH1][Ring1][N]
|
CHEMBL4285913
|
[O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][Branch1][P][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][Ring2][=N][C][N][Branch2][Ring1][#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][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring2][Ring2][C][=C][C][=C][Ring2][Branch1][O][Ring2][Ring2][P]
|
CHEMBL4285914
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][P][C][C][=C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2][F][O][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL4285915
|
[C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][C][O][C][=Branch1][C][=O][N][C][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]
|
CHEMBL4285916
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][#N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL4285917
|
[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][O][C][Ring2][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][S]
|
CHEMBL4285993
|
[O][=C][C][C][C][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
|
CHEMBL4285994
|
[O][=C][C][C][C@H1][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][C][N][Ring1][#C][Ring1][N]
|
CHEMBL4285995
|
[O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][Cl]
|
CHEMBL4285996
|
[O][=C][Branch2][Ring1][#C][/C][=C][/C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S]
|
CHEMBL4285997
|
[C][C][=C][C][=C][C][Branch2][Ring2][#C][O][C][=C][C][=C][Branch2][Ring1][P][N][C][=N][C][=N][C][S][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][Ring2][Ring1][C][=Ring1][=C][C][=C][Ring2][Ring1][=Branch2][Cl][=C][Ring2][Ring1][P]
|
CHEMBL4285998
|
[C][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][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL4286074
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=C]
|
CHEMBL4286075
|
[C][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][C][N][N][Ring2][Ring1][N]
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