chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL18569
|
[C][C][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL19279
|
[C][#C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][O][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL19280
|
[O][=S][=Branch1][C][=O][Branch2][Ring2][Ring1][C][=N][C][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][NH1][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]
|
CHEMBL4434834
|
[C][C][Branch1][C][C][C@@H1][O][/C][=Branch2][Ring1][C][=C][/C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][Ring1][S][=O]
|
CHEMBL19281
|
[C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C]
|
CHEMBL19282
|
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][N][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Br][NH1][C][=Ring1][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][N]
|
CHEMBL19283
|
[C][O][C@H1][C@@H1][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][O][C@H1][Branch2][Ring2][N][O][C][C][C][C@@H1][C@H1][Branch1][C][C][C][C][C@H1][Ring1][=Branch1][C][Branch1][Ring1][C][=O][C][C][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1][Ring1][O][C][=Branch1][C][=O][O][O][C@@H1][Ring2][Ring2][#Branch1][C]
|
CHEMBL19284
|
[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][O][C][C][C][C][#N]
|
CHEMBL19157
|
[C][C][Branch1][C][C][C][C][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][N][C][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Ring1][Branch2][N][Branch1][C][C][C][Ring1][=C][=O]
|
CHEMBL19242
|
[O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][O][=C][Ring1][=N][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][S][C][Ring2][Ring1][P][=C][Ring2][Ring2][Branch1]
|
CHEMBL19243
|
[C][C][C][O][P][=Branch1][C][=O][Branch2][Ring1][O][O][C][C][C][=C][C][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][O][Ring1][=C][O][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]
|
CHEMBL19244
|
[C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2]
|
CHEMBL18640
|
[C][C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C][Branch1][C][O][C@H1][Branch2][Ring2][N][O][C][C][C][C@@H1][C@H1][Branch1][C][C][C][C][C@H1][Ring1][=Branch1][C][Branch1][Ring1][C][=O][C][C][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1][Ring1][O][C][=Branch1][C][=O][O][O][C@H1][Branch1][C][C][C@H1][Ring2][Ring1][S][O][C]
|
CHEMBL18642
|
[C][=C][C][Branch2][Ring1][=Branch1][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=C][C][=N][Ring1][P]
|
CHEMBL18643
|
[C][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][O][C][C][C][C][#N][=C][C][=C][Ring1][N][O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL18726
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][C][Ring1][#Branch1][=C][Ring1][O]
|
CHEMBL18727
|
[C][C@H1][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][N][N][Branch1][C][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18728
|
[C][=C][C][=C][S][C][Branch2][Ring1][Branch2][C][O][C][=C][C][=C][Branch1][N][O][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][#C][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2]
|
CHEMBL18658
|
[C][C][Branch1][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C@][Branch1][C][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=O]
|
CHEMBL602
|
[N][C][C][S]
|
CHEMBL18659
|
[C][C][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][O][N][C][=C][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2]
|
CHEMBL18660
|
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=C][NH1][N][=C][Ring1][Branch1][Ring1][#Branch2]
|
CHEMBL18661
|
[C][=N][C][Branch1][#Branch2][C][C][C][C][N][C][C][Ring1][=Branch1][=C][NH1][Ring1][N]
|
CHEMBL18662
|
[O][=C][C][N][=C][NH1][C][=Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][C][N][Ring2][Ring1][Ring1][Ring1][Branch1]
|
CHEMBL18663
|
[C][C][=Branch1][C][=O][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][C][=O]
|
CHEMBL18664
|
[C][C@H1][Branch2][=Branch1][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@H1][Branch1][Branch2][C][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][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][O]
|
CHEMBL18666
|
[N][C][C][Branch1][C][O][C][C][C][C][Ring1][=Branch1]
|
CHEMBL18954
|
[C][C][=Branch1][C][=O][C][=C][C][Branch1][P][O][C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=C][C][=C][Ring1][S][O][C][C][C][C][#N]
|
CHEMBL18955
|
[C][N][C][C][N][Branch2][Ring1][Branch1][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2]
|
CHEMBL18956
|
[C][=C][C][Branch2][Ring1][=C][C][O][C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][=C][C][Branch1][#Branch2][O][C][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring2][Ring1][P]
|
CHEMBL18976
|
[C][C][C][C][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring2][Ring1][Branch1][Ring1][Branch2]
|
CHEMBL19057
|
[C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][Ring2][Ring1][Branch1][C]
|
CHEMBL19058
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][N][C][=C][Branch1][=C][N][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL19060
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][C][C][N][C][C][S][S][C][C][N][C][C][C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C]
|
CHEMBL18729
|
[F][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][C]
|
CHEMBL18731
|
[C][S][C][=C][C][=C][Branch2][Ring1][O][N][C][=C][Branch1][=C][N][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL18815
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][C][C][Ring1][=Branch1]
|
CHEMBL18816
|
[C][=C][C][=C][N][=C][Branch2][Ring2][Ring1][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring2][C][=C][C][Ring2][Ring1][N][=C][Ring2][Ring1][S]
|
CHEMBL18748
|
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][=N][N][Branch1][N][C][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL18749
|
[Cl][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][=N][Ring1][P]
|
CHEMBL18750
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][N][N][=N][C][Branch2][Ring1][N][C][=C][C][=C][C][Branch1][P][C][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][=C]
|
CHEMBL18751
|
[C][C@H1][Branch2][=Branch1][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][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][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][=Branch1][C][=O][O]
|
CHEMBL18752
|
[C][C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL18753
|
[C][O][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Branch1][C][O][=C][Ring1][=C][C][=C][Ring2][Ring1][C][O][C]
|
CHEMBL19040
|
[C][N][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2]
|
CHEMBL4434921
|
[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N][=N][Ring1][#C]
|
CHEMBL4434922
|
[N][C][=Branch1][C][=O][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][C][=C][Ring1][#C][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=C]
|
CHEMBL4434923
|
[F][C][=C][C][=C][Branch2][Ring2][O][/C][=N][/N][C][=N][C][Branch2][Ring1][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=C][S][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N][F]
|
CHEMBL19041
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][S][O][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][C][C][C][Ring1][P][C][=C][Ring2][Ring1][Branch2][=C][Ring2][Ring2][Ring1]
|
CHEMBL19042
|
[C][C][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][C][C][C][=Branch1][C][=O][N][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][O][P][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL19043
|
[C][O][C][=C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][C][Ring1][#Branch2][=C][Ring1][=C][C][=C][C][Ring2][Ring1][=N][=C][Ring2][Ring1][P][O][C]
|
CHEMBL19045
|
[C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
CHEMBL18887
|
[C][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][Ring2][Ring1][C]
|
CHEMBL18888
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=Ring1][N][C][=C][C][=C][O][Ring1][Branch1]
|
CHEMBL18889
|
[C][C][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][C][N][Ring1][Branch1][C][Ring2][Ring1][C][=O]
|
CHEMBL18890
|
[C][C][O][C][=Branch1][C][=O][C][C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][O][C][=Ring1][Branch2][C][C][=C][S][C][=Ring1][Branch1]
|
CHEMBL18891
|
[O][=C][Branch1][C][O][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][=C][C][=C][O][Ring1][Branch1]
|
CHEMBL18892
|
[C][C][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O]
|
CHEMBL18817
|
[C][C][C][C][C][C][C][C][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][N][C][=Branch1][O][=N][C@@H1][C][C][C][C@@H1][Ring1][Branch1][Ring1][Branch2][N][Branch1][C][C][C][Ring1][=C][=O]
|
CHEMBL18818
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][P][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL19875
|
[C][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][=C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][S][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][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][C][C][C]
|
CHEMBL20259
|
[C][C][O][C][=Branch1][C][=O][/C][=C][/C@H1][Branch1][=Branch2][C][C][C][=Branch1][C][=O][N][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL20260
|
[C][C][O][C][=Branch1][C][=O][/C][=C][/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@@H1][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][Branch1][C][C][C]
|
CHEMBL18911
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][P]
|
CHEMBL18912
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][C][=C][Ring1][#C][N+1][=Branch1][C][=O][O-1]
|
CHEMBL18836
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][N][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][S][Branch1][C][C][=Branch1][C][=O][=O][NH1][C][=Ring1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][O]
|
CHEMBL18837
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C][C][S][C][Branch1][C][C][=O]
|
CHEMBL18838
|
[C][C][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][O][N][C][=N][C][=C][Branch1][C][N][C][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2]
|
CHEMBL18840
|
[N][C][C][C][=C][NH1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][N][Ring1][=Branch2]
|
CHEMBL19135
|
[O][=C][C][N][=C][NH1][C][=Ring1][Branch1][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=N][C][C][N][Ring2][Ring1][Ring1][Ring1][Branch1]
|
CHEMBL19136
|
[C][=C][C][=C][N][=C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][N][C][=C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2]
|
CHEMBL4434942
|
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][S][Ring1][#Branch1]
|
CHEMBL19137
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C]
|
CHEMBL19138
|
[C][O][C][=C][C][=C][NH1][C][=C][Branch1][C][C][C][=C][C][=N][C][Branch1][=Branch1][N][C][C][C][N][=C][Ring1][O][C][Branch1][C][C][=C][Ring1][P][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2]
|
CHEMBL19139
|
[N][=C][Branch1][C][N][C][=C][C][=C][C][=C][C][Branch2][Ring1][N][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][O][C@H1][C][C][N][C][Ring1][Branch1][C][=C][Ring1][N][=C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O]
|
CHEMBL18619
|
[C][O][C][=Branch1][C][=O][C][S][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
|
CHEMBL18620
|
[O][=C][C][C][C][C][Ring1][Branch1]
|
CHEMBL18621
|
[C][=C][C][C][O][C][Branch1][=C][C@@H1][Branch1][C][O][C@@][Branch1][C][C][Branch1][C][O][C][O][N][C][=Branch1][C][=O][C@@][Ring1][S][Branch1][C][O][N][C][Ring1][#C][=O]
|
CHEMBL18622
|
[O-1][S+1][Branch2][Ring2][Ring1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL18623
|
[F][C][Branch1][C][F][Branch1][C][F][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][P]
|
CHEMBL18624
|
[C][C][Branch2][Ring1][Ring2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18913
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=C][C][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][O][C][O][=C][Branch1][C][C][N][Ring1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL18914
|
[C][O][C][=C][C][Branch2][Ring1][#Branch2][C][O][C][=C][C][=C][Branch1][#Branch1][O][C][C][C][C][#N][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][#C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL18915
|
[C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][C][=Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL18645
|
[C][O][C][=C][C][=C][Branch2][Ring2][C][C][NH1][C][Branch1][=C][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][=N][C][=Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL19208
|
[C][C][C][C][C][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][C][=N][C][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1]
|
CHEMBL19209
|
[C][O][C][=C][C][=C][S][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][=C][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][Branch1][Ring1][O][C][=C][Ring1][=C][C][Ring2][Ring2][C][=C][Ring2][Ring2][=Branch1]
|
CHEMBL19211
|
[C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][Ring2][C][C][C][N][Ring1][Branch2]
|
CHEMBL19212
|
[N][C][C][C][=C][NH1][C][=N][Ring1][Branch1].[N][C@@H1][Branch1][#C][C][O][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL19226
|
[O][=S][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C][C][C][N][C][C][C][Branch2][Ring1][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][P]
|
CHEMBL19227
|
[N][C][=N][C][Branch1][C][N][=C][N][=C][Branch2][Ring2][=Branch1][C][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring2][Ring1][Ring1][C][=N][C][Ring2][Ring1][O][=N][Ring2][Ring1][S]
|
CHEMBL18709
|
[C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][Ring2][Ring1][Ring2][C]
|
CHEMBL18710
|
[C][N][Branch1][C][C][C][C][C][=C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][N][Ring1][=Branch2]
|
CHEMBL18711
|
[C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL18712
|
[I][C][=C][C][=C][Branch1][=N][C][O][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][Ring1][S].[N][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL18646
|
[O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Br][=C][Ring1][=C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][S][C][Ring2][Ring2][C][=C][Ring2][Ring2][=Branch1]
|
CHEMBL18647
|
[O][=S][=Branch1][C][=O][Branch2][Ring2][Ring1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]
|
CHEMBL18648
|
[C][O][C][=C][C][=C][Branch2][Ring1][=N][C][N][=C][Branch1][Branch2][S+1][Branch1][C][O-1][C][S][C][NH1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL18732
|
[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][O][C][C][#N]
|
CHEMBL18733
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=N][NH1][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=O][=N][Ring1][=N][=C][Ring2][Ring1][Ring1]
|
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