chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL4288455
|
[C][C][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring2][Ring1][#Branch1]
|
CHEMBL4288456
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][O][O]
|
CHEMBL4288543
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][=C][Ring2][Ring1][C]
|
CHEMBL4288544
|
[O][=C][Branch2][Ring2][Ring1][N][C@@H1][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][Cl][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P]
|
CHEMBL4288545
|
[C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL4288546
|
[C][C][N][C][=C][C][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][P][C][=C][C][=N][Ring2][Ring1][Branch2]
|
CHEMBL4288547
|
[O][=C][C][=C][Branch2][Branch1][#Branch2][C][=C][C][=C][Branch2][Ring2][=C][O][C][C][C][C][=C][N][Branch2][Ring1][#C][C][C][O][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][P][=Ring1][=N][N][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][Ring1][O][C][=C][C][=C][C][=C][Ring2][Ring2][=N][Ring1][=Branch1]
|
CHEMBL4288548
|
[C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C@H1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@H1][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][Ring2][Ring1][Ring2][O][Ring2][Ring1][=Branch2]
|
CHEMBL4288634
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][C][=C][Branch1][P][C][=C][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][NH1][C][=C][C][=C][N][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][N][=C][Ring2][Ring1][=Branch2]
|
CHEMBL4288635
|
[C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL4288636
|
[C][O][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C@@H1][O][C@H1][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][#Branch1][O][C][Ring2][Ring1][=N][=O]
|
CHEMBL4288637
|
[F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL4288638
|
[O][=C][Branch2][Ring1][=Branch2][N][C][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][S][Ring1][=N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1]
|
CHEMBL4288639
|
[C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][O][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][C][C][C][C@][Ring2][Ring1][=Branch2][Ring2][Ring1][=C][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][#Branch2][=O]
|
CHEMBL4288721
|
[C][O][C][=C][C][=C][Branch2][Ring1][N][/C][=C][\C][C][C][/C][=Branch1][S][=C][\C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1][O][C]
|
CHEMBL4288722
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=Branch1][C][=O][N][Branch1][C][O][C][=Branch1][C][=O][NH1][Ring1][=Branch2]
|
CHEMBL4288723
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][=C][N][Branch2][Ring2][=Branch1][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][N][=N][Ring2][Ring1][#C]
|
CHEMBL4288724
|
[O][=C][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][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]
|
CHEMBL4288725
|
[C][C][=Branch1][C][=O][N][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring2][Ring1][C]
|
CHEMBL4288726
|
[C][Si][Branch1][C][C][Branch1][C][C][C][C][O][C][N][N][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=C][N][Ring1][Branch2][C][Ring1][N][=O]
|
CHEMBL4288808
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][O][C][Branch2][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][C][C][Ring1][O][=C][Ring2][Ring1][Branch2]
|
CHEMBL4288809
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][P][N][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][C][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4288810
|
[O][=C][Branch2][Ring2][=Branch2][C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O]
|
CHEMBL4288811
|
[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][S][C][C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][=C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][Ring2][Ring2][Ring1]
|
CHEMBL4288812
|
[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][Branch1][C][F][Branch1][C][F][C][Ring1][Branch2]
|
CHEMBL4288813
|
[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][#Branch1][C][C][Branch1][C][N][=O][C][C][=C][C][=C][S][Ring1][Branch1]
|
CHEMBL4288814
|
[C][O][C][=C][C][=C][C][=C][Branch1][S][C][Branch1][C][C][C][=N][N][=C][Branch1][Ring1][S][C][O][Ring1][#Branch1][C][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
|
CHEMBL4283407
|
[C][C][C@H1][Branch1][Ring1][C][O][N][C][=N][C][Branch2][Ring1][#Branch1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=N][C][Branch1][P][N][Branch1][C][C][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][N]
|
CHEMBL4283408
|
[C][/C][=Branch1][N][=C][\C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C@@H1][C][C@@H1][O][C@][Ring1][Ring1][Branch1][C][C][C][C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][O][O][C][=Branch1][C][=O][C][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@@H1][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O][Ring2][Ring2][=Branch2]
|
CHEMBL4283409
|
[Cl][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=N][C][Branch1][=C][C][=C][C][NH1][N][=N][C][=Ring1][Branch1][C][=N][Ring1][=Branch2][=C][Ring1][=C][=C][Ring2][Ring1][Ring2]
|
CHEMBL4283410
|
[C][C][N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=N][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C]
|
CHEMBL4283411
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][=C][/C][=C][\C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][=Branch2][C][N][Ring1][N][C][Ring1][S][=O][C@@H1][Ring1][=C][Ring1][#Branch2][=C][N][Ring2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][#C]
|
CHEMBL4283412
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][O][Ring1][=C]
|
CHEMBL4283413
|
[O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][O]
|
CHEMBL4283491
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][P][Ring1][#Branch2]
|
CHEMBL4283492
|
[C][N][Branch2][Branch1][Ring2][C][C][N][Branch1][C][C][C][C][=C][N][Branch2][Ring2][C][C][C][O][C][C][O][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][N][C][C][=C][N][Branch2][Ring2][C][C][C][O][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][N]
|
CHEMBL4283493
|
[O][=C][Branch2][Ring2][Ring2][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][F]
|
CHEMBL4283494
|
[C][S][C][=C][C][=C][Branch2][Ring2][P][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch2][=O][C][=C][Ring2][Ring2][Ring1]
|
CHEMBL4283495
|
[C][O][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=N][/N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C]
|
CHEMBL4283496
|
[Br][C][=C][C][=C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring1][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4283579
|
[C][C][C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][Ring2][S][C][C][C][=C][Ring1][=Branch2][S][Ring1][N]
|
CHEMBL4283580
|
[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL4283581
|
[N][#C][C][=C][C][=C][C][Branch2][Ring1][=N][C][N][C][=N][N][=C][Branch1][P][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][S][Ring1][S][=C][Ring2][Ring1][Branch2]
|
CHEMBL4283582
|
[N][C][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][C][=Ring1][#Branch2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL4283583
|
[O][=C][C][=C][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring1][=C][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1][O]
|
CHEMBL4283674
|
[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][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL4283675
|
[C][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][O][C][=C][Ring1][=Branch2][C][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]
|
CHEMBL4283676
|
[O][=C][C][=C][C][=C][Branch2][Ring1][Ring2][C][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]
|
CHEMBL4283677
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][Branch1][C][C][=N][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][Cl]
|
CHEMBL4283678
|
[C][C][C][C][C][C][C][=C][C][=C][Branch2][#Branch1][P][C][=N][C][=C][C][Branch2][=Branch1][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][=C][N][Branch1][Branch1][N][=N][Ring1][Branch1][C][C][O][C@@H1][C][C@@H1][O][B][Branch1][Branch2][O][C@@H1][Ring1][Branch1][C][Ring1][Branch2][C@H1][Branch1][C][C][N][C][Ring2][Ring1][=Branch1][=O][C@@H1][Branch1][C][C][O][=C][C][=C][Ring2][Branch1][Ring2][NH1][Ring2][Branch1][#Branch1][C][=C][Ring2][Branch1][=N]
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CHEMBL4283679
|
[C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][=N][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][=C]
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CHEMBL4283761
|
[C][#C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][N][O][C][=C][Branch1][Ring1][C][C][N][=C][C][=C][Ring1][N][Ring1][Branch2][=C][Ring2][Ring1][Ring1]
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CHEMBL4283762
|
[C][C][C][Branch1][C][C][C][C][=N][C@@H1][Branch2][Ring1][#C][C][C][C][C][N][C][C@@H1][Branch1][C][C][N][Branch1][=C][C][C][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][#C][=S][C][N][Ring2][Ring1][=Branch2]
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CHEMBL4283763
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Ring1][=N][C][N][C][=N][C][=C][Branch1][P][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][S][=O][N][=N][Ring2][Ring1][#Branch1]
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CHEMBL4283764
|
[C][C][=Branch1][C][=O][N][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][=O][C@][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#C]
|
CHEMBL4283847
|
[C][N][Branch1][C][C][C@H1][C][C][C@H1][Branch1][#C][N][C][=N][C][=N][C][C][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][S]
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CHEMBL4283848
|
[O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][S][Ring1][N]
|
CHEMBL4283849
|
[N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][C][S][C][=Branch1][C][=S][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1]
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CHEMBL4283850
|
[C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][=C][C][=C][N][Ring1][Branch1][C][=Ring2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
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CHEMBL4283939
|
[C][C][=Branch1][C][=O][O][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Branch1][Ring1][C][=O][C][Branch1][C][O][=C][Ring1][O][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C]
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CHEMBL4283940
|
[N][C][=N][C][=C][Branch2][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C@@H1][C][N][C][C@@H1][Ring1][Branch1][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch1]
|
CHEMBL4283941
|
[C][C][C][C][=C][N][Branch1][#C][C][/C][=C][Branch1][C][/C][C][C][C][=C][Branch1][C][C][C][N][=N][Ring1][#C]
|
CHEMBL4283942
|
[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]
|
CHEMBL4283943
|
[C][O][C@H1][C@H1][Branch2][#Branch1][P][O][C@@H1][Branch2][=Branch1][Ring1][C@H1][Branch2][Branch1][#Branch2][N][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C@@H1][C][C][N][C][=Branch1][C][=N][N][Ring1][#Branch1][C][=Branch1][C][=O][O][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O][O][C@H1][Branch1][Ring1][C][N][C@H1][Ring2][Branch1][=C][O]
|
CHEMBL4284015
|
[C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][S][Ring1][=Branch2][S][Ring1][P]
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CHEMBL4284016
|
[O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][S][C][=N][C][=Ring1][Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
|
CHEMBL4284017
|
[C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][O][C@H1][C@H1][Branch1][C][C][O][C@@H1][Branch2][=Branch1][=C][O][C@H1][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][C][O][C][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][C][O][C@@H1][Branch1][Ring1][C][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring2][#Branch1][C][C][C@@][Ring2][Ring2][S][Branch1][C][C][O][C]
|
CHEMBL4284018
|
[C][C][N+1][=N][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][=N][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]
|
CHEMBL4284019
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][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][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][Branch2][C][Ring2][Ring1][=C]
|
CHEMBL4284020
|
[C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=S][=C][C][=N][Ring1][=Branch2]
|
CHEMBL4284022
|
[C][C][C][C][C][=N][C][Branch1][C][C][=C][Branch1][=C][C][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][P][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][=C][Ring2][Ring1][C]
|
CHEMBL4284099
|
[O][=C][C][=C][Branch1][Branch2][C][=C][NH1][N][=N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][Ring2][Ring1][=C]
|
CHEMBL4284100
|
[C][O][C][=C][C][Branch2][Ring2][=N][C][=Branch1][C][=O][/C][=C][\N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][S][Ring1][#C][C][=C][Ring2][Ring1][Branch1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring2][Ring1][O][C]
|
CHEMBL4284101
|
[C][C][C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Branch1][C][O][C][=C][Ring2][Ring1][Ring1][O][C]
|
CHEMBL4284102
|
[C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C][Ring1][=N][=O]
|
CHEMBL4284103
|
[O][=C][C][=C][Branch2][=Branch1][=Branch2][C][=C][C][=C][Branch2][Branch1][=N][O][C][C][C][C][=C][N][Branch2][Ring2][=C][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][=C][O][C][=C][C][=C][C][=C][Ring2][Branch1][Branch2][Ring1][=Branch1]
|
CHEMBL4284104
|
[O][=C][NH1][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][S][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][NH1][Ring2][Ring1][#Branch2]
|
CHEMBL4284188
|
[O][=C][Branch2][Ring1][P][N][C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][P][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O]
|
CHEMBL4284189
|
[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][=N][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL4284190
|
[C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
|
CHEMBL4284191
|
[C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][=Branch2][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][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][=N][Branch1][C][C][O]
|
CHEMBL4284192
|
[C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][=C][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][O][C][Branch1][C][O][=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]
|
CHEMBL4284193
|
[C][C@H1][C@H1][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][Branch2][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][C@@H1][Branch1][S][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][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][S][C][C@H1][Ring2][Ring2][O][Ring2][Ring2][=Branch1]
|
CHEMBL4284194
|
[F][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][=C][C][=C][N][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][O][Ring1][=C][C][Branch1][C][F][=C][Ring2][Ring1][Branch1]
|
CHEMBL4284195
|
[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][Ring1][N][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][C][C@][Ring2][Ring1][#Branch1][Branch1][C][C][C@H1][Ring2][Ring1][N][C][C][C@][Ring2][Ring1][S][Branch1][C][C][C@H1][Ring2][Ring2][Ring2][C@@H1][Ring2][Ring2][=Branch2][C]
|
CHEMBL4284196
|
[O][=C][NH1][C][=Branch1][C][=O][N][Branch1][=C][/C][=Branch1][Ring1][=N][/O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][I]
|
CHEMBL4284197
|
[C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][Branch2][Ring1][P][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4284270
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][N][C][=Branch1][C][=O][C][Branch1][C][F][=C][Branch1][C][C][N][=C][Ring1][=Branch2][S][Ring1][N][=C][Ring2][Ring1][Ring1]
|
CHEMBL4284271
|
[C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL4284272
|
[C][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch1][P][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1]
|
CHEMBL4284273
|
[C][C][C][S][C][=N][C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=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][#C]
|
CHEMBL4284274
|
[C][C][=Branch1][C][=O][N][N][=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][C][C][Ring2][Ring1][#C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL4284364
|
[C][N][Branch1][C][C][C][C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][NH1][Ring1][P]
|
CHEMBL4284365
|
[C][O][C][=C][C][=C][Branch3][Ring1][Ring2][#Branch2][C][N][Branch2][S][=Branch1][C][C][=Branch1][C][=O][N][Branch2][=C][=N][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][O][Ring2][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][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][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][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][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]
|
CHEMBL4284366
|
[Cl][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]
|
CHEMBL4284367
|
[C][C][Branch1][C][C][Branch1][C][O][C][C][C][=C][C][Branch2][Ring1][#Branch2][C][C@H1][O][C][=Branch1][C][=O][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][Branch1][O][Ring2][Ring1][Branch2]
|
CHEMBL4284368
|
[C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][=Branch1][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][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring2][Ring1][N]
|
CHEMBL4284449
|
[C][C][C][Branch1][Ring1][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][O]
|
CHEMBL4284450
|
[C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][=C][C][Branch1][S][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring2][N][C][Branch1][C][N][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Ring1][O][=N][Ring2][Ring1][Branch2]
|
CHEMBL4284451
|
[C][N][C][=Branch1][C][=O][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
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