chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL11436
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][O]
|
CHEMBL11985
|
[C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][Ring2][C][Ring1][Branch2][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][Branch1][Branch1][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][Ring1]
|
CHEMBL11986
|
[C][C][=N][O][C][Branch1][=Branch2][C][=C][C][C][N][C][Ring1][=Branch1][=N][Ring1][O]
|
CHEMBL11988
|
[C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][#C]
|
CHEMBL11989
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring2][Ring1][Branch2].[I-1]
|
CHEMBL11717
|
[O][=C][C][=N][N][Branch2][Ring1][S][C][=C][C][Branch1][C][Cl][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][P][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch2]
|
CHEMBL11911
|
[C][C][O][C][C][N][C][Branch2][Ring2][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][O][C][=C][Ring2][Ring1][Ring2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#C]
|
CHEMBL1163397
|
[C][O][C][=C][C][Branch2][Branch2][=Branch1][/C][=C][/C][Branch1][C][O][/C][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][Branch2][=Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C@@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Branch2][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][Ring1][O][C][C][C][C@][Ring1][#C][Ring1][#Branch2][C][C][C][Ring2][Ring1][Branch1][=C][C][C@H1][Ring2][Ring1][#Branch2][C][Ring2][Ring1][=C][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][S][=C][C][=C][Ring2][Branch1][#C][O]
|
CHEMBL11912
|
[O][=C][Branch1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2]
|
CHEMBL11913
|
[C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][S][Ring2][Ring1][C][=Branch1][C][=O][=O]
|
CHEMBL11914
|
[N][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N][O]
|
CHEMBL11915
|
[C][O][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=C][Ring1][#C][Cl]
|
CHEMBL11671
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][NH1][Ring1][#Branch2][C][=C][Ring1][S][C][=C][Ring2][Ring1][=C][O][C]
|
CHEMBL11672
|
[C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL11673
|
[C][=C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl]
|
CHEMBL1163383
|
[N][C][=C][C][=C][Branch2][Ring1][C][/C][=C][\C][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL11674
|
[C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][=Branch1][C][=O][O]
|
CHEMBL11762
|
[C][C][=C][N][Branch1][=Branch1][C][O][C][C][O][C][=Branch1][C][=O][NH1][C][Ring1][N][=O]
|
CHEMBL11961
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch2][Ring1][#C][=C][\C][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL11962
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][C][C][C][C][N+1][C][=C][S][C][=Ring1][Branch1][C][O][C][Ring2][Ring1][C].[Br-1]
|
CHEMBL11695
|
[C][C][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][S][=Branch1][C][=O][=Branch1][C][=O][/N][=C][Branch1][C][\S][N][C]
|
CHEMBL11696
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][C][C][C][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][Ring2][Ring1][Ring1].[Br-1]
|
CHEMBL11697
|
[C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][N+1][Branch1][C][O-1][C][C][C][=C][C][=C][Branch1][N][C][=C][Ring1][=Branch1][C][Ring1][O][C][Ring2][Ring1][C][O][C][O][Ring1][=Branch2]
|
CHEMBL11718
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N]
|
CHEMBL11719
|
[C][C][=C][C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][C][=C][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL11721
|
[O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][C][O][=N][NH1][Ring1][=Branch1]
|
CHEMBL11722
|
[N][C@@H1][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][O]
|
CHEMBL11723
|
[C][C][C][Branch1][C][O][C@H1][Branch1][C][N][C][=Branch1][C][=O][O]
|
CHEMBL1191492
|
[C][C][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][C][=C][C][=C][Branch2][Branch1][=Branch2][O][C][C][=C][Branch1][C][Cl][C][=C][C][Branch2][Ring2][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][=C][Ring2][Ring1][#C][Cl][C][Ring2][Ring2][Branch2][=N][Ring2][Ring2][P]
|
CHEMBL11649
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][N][=C][\C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Branch1][C][=O][O]
|
CHEMBL1163382
|
[C][C][C][C][=N][N][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O]
|
CHEMBL11763
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][Branch2][=C][\C][C][C][C][C][#N][C][=Branch1][C][=O][O]
|
CHEMBL11764
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][N][=C][\C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL11765
|
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][S][C][N][C][=C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL11766
|
[O][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring1][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL11767
|
[C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL11698
|
[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][NH1][Ring1][P]
|
CHEMBL11699
|
[O][=C][C][=N][N][Branch2][Ring1][N][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][#C][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1]
|
CHEMBL11784
|
[C][C][C][N][Branch1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl]
|
CHEMBL11785
|
[O][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/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][Ring2][Ring1][=C]
|
CHEMBL11786
|
[N][#C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/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][Ring2][Ring1][=N]
|
CHEMBL11806
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][Branch1][C][C][C][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch2][O][C]
|
CHEMBL11807
|
[C][C][=Branch1][C][=O][O][N][Branch2][Ring1][C][/C][=C][\C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL11808
|
[O][=C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][=C]
|
CHEMBL11809
|
[C][/C][=C][Branch1][=N][\N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][O]
|
CHEMBL11810
|
[C][/C][=C][Branch1][=C][\N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL11811
|
[C][/C][=Branch2][Ring1][Branch1][=C][\C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][O-1].[Na+1]
|
CHEMBL11740
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL11741
|
[N][C][C][=C][N][Branch1][S][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][Br][C][Ring1][Branch2][O][C][=Branch1][C][=O][N][=Ring1][S]
|
CHEMBL11742
|
[O][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][C][#C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][=N]
|
CHEMBL11743
|
[C][N+1][Branch1][Ring2][C][C][Cl][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring1][S].[Cl-1]
|
CHEMBL11744
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch2][Ring1][C][=C][\C][C][C][C][C][N][C][C][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=O][O]
|
CHEMBL11848
|
[C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][N][C][C][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring1][P][O][C][O][Ring1][=Branch2]
|
CHEMBL11849
|
[O][=C][C][=N][N][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][P][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch2]
|
CHEMBL4560039
|
[C][C][N][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][#C][N][C][=N][C][=C][Ring1][Branch1][C][Ring2][Ring1][Branch2][=O]
|
CHEMBL4560040
|
[C][=C][O][C][Branch2][#Branch2][P][C][N][C][C][=C][C][Branch1][O][C][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch2][=Branch2][=Branch1][C][=C][C][Branch1][O][C][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch2][#Branch1][=C][C][N][C][=C][Branch2][#Branch1][C][C][O][C][C][O][C][C][O][C][C][O][C][C][=C][N][Branch2][Branch1][O][C][C][=C][C][Branch1][O][C][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch2][Ring2][C][C][=C][C][Branch1][O][C][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][O][C][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][=Branch1][=C][Ring2][Ring2][Ring2][N][=N][Ring2][Ring2][#Branch2][N][=N][Ring2][Branch1][O][=C][Ring2][=Branch1][#Branch2][=C][Ring2][#Branch1][Branch2][=C][Ring2][#Branch1][S]
|
CHEMBL4560041
|
[C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][N][Ring2][Ring1][Ring1][Ring1][S]
|
CHEMBL11850
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][Ring1][#C]
|
CHEMBL11852
|
[O][=C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL11853
|
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][/C][=Branch1][=Branch2][=C][\C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL11854
|
[C][C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][C][Branch1][S][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][Ring1][=C][C][Ring1][S][C][=Branch1][C][=O][O][C][C][Si][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL11787
|
[O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][C][O][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][Ring1][=C]
|
CHEMBL11788
|
[C][/C][=C][Branch1][=C][\N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL11875
|
[N][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL11876
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][#Branch1][=C][\C][C][C][Ring1][Ring1][C][=Branch1][C][=O][O]
|
CHEMBL11877
|
[C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][=C][C][C][C][C][N][Branch2][Ring1][P][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][P]
|
CHEMBL11897
|
[C][C][O][C][Branch2][Ring2][=N][C][N][Branch1][O][C][C][Branch1][Ring2][O][C][C][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl][O][C][C]
|
CHEMBL11898
|
[C][C][O][C][=Branch1][C][=O][C][C][=N][C][=N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][S][C][=Ring2][Ring1][Ring2][O]
|
CHEMBL11899
|
[O][=C][Branch2][Ring1][=C][/C][=C][/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][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][O][O]
|
CHEMBL508
|
[C][N][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL11827
|
[C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][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][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=Branch1][O][C]
|
CHEMBL11828
|
[C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C][Ring2][Ring1][Ring2]
|
CHEMBL11830
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][=Branch2][=C][\C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL11831
|
[C][/C][=C][Branch1][P][\N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][O]
|
CHEMBL11855
|
[C][C][Branch1][Ring1][C][O][C@H1][Branch1][C][N][C][=Branch1][C][=O][O]
|
CHEMBL12010
|
[C][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][O][=O]
|
CHEMBL12011
|
[C][N][C][C][C][C][C][Ring1][=Branch1][=O]
|
CHEMBL12012
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O].[I-1]
|
CHEMBL12013
|
[C][C][C][C][=N][C][=C][Branch2][Ring2][#C][N][Ring1][Branch1][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][C][Ring2][Ring2][C]
|
CHEMBL12014
|
[C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]
|
CHEMBL12015
|
[C][C][C][C][C][C@][Branch1][C][C][/C][=C][\C][C@H1][Branch1][C][O][C][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch1][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][Ring2][Ring1][Ring2]
|
CHEMBL11878
|
[C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C@@H1][C@@H1][Branch1][C][C][C@H1][Ring1][Ring2][C][C][=Branch1][C][=O][O]
|
CHEMBL11879
|
[C][=C][C][=C][Branch2][Ring1][P][C][Branch2][Ring1][Branch1][C][C][C][=N][C][Branch1][#Branch2][C][C][N][C][C][C][C][Ring1][Branch1][=C][NH1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL11880
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][N][C][Ring1][S]
|
CHEMBL11963
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Branch1][C][C][Ring1][Branch1][C][Ring1][N]
|
CHEMBL11965
|
[O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][#Branch2]
|
CHEMBL11900
|
[C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][C][N][C][Branch2][Ring1][=Branch2][S][C][C][C][N][C][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][=C][=N][C][=Ring2][Ring1][#Branch2][S][Ring2][Ring1][=N]
|
CHEMBL4559975
|
[C][C][=C][N][C][Branch2][Ring1][Ring1][/C][=C][/C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][=C][Branch1][C][C][N][=C][Ring2][Ring1][C][S][Ring2][Ring1][Branch1]
|
CHEMBL4559976
|
[N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][S][Ring2][Ring1][C][C][=Branch1][C][=O][O]
|
CHEMBL11990
|
[C][C][=N][O][C][Branch1][N][C][=C][C][C][Branch1][C][C][N][C][Ring1][#Branch1][=N][Ring1][N]
|
CHEMBL11991
|
[C][=C][C][NH1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][=N][Ring1][=Branch2]
|
CHEMBL11993
|
[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][NH1][Ring1][P]
|
CHEMBL11994
|
[C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL11995
|
[O][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][C][#C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring2][Ring1][=N]
|
CHEMBL11834
|
[C][C][=C][C][=C][C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Branch1][C][=O][N][C][Ring1][#C][=O][=C][Ring2][Ring1][=Branch2]
|
CHEMBL11835
|
[C][C][=C][C][=C][N][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O][C][Ring1][S][=C][Ring2][Ring1][Ring2]
|
CHEMBL11836
|
[C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL11837
|
[C][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][/C][=Branch1][#Branch2][=C][\C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O]
|
CHEMBL12016
|
[O][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][S][C][C][#C][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][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring2][Ring1][S]
|
CHEMBL11675
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
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