chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL13150
|
[C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring1][P][Ring2][Ring1][Branch2]
|
CHEMBL13440
|
[O][=C][Branch1][C][O][C][=C][N][C][Branch2][Ring1][Ring1][C][=C][Branch1][C][Cl][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][N][=N][Ring1][#C]
|
CHEMBL13441
|
[C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][Ring1][=N][=C][Ring1][P]
|
CHEMBL13442
|
[C][C][C@H1][Branch2][Branch1][N][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][Branch2][Ring1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C]
|
CHEMBL13443
|
[C][=C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][#C][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][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][C][C][C]
|
CHEMBL13444
|
[C][C][C][C][C][=C][Branch1][C][O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL13170
|
[N][C][=N][C][Branch1][C][N][=C][N][=C][Branch2][Ring2][=Branch2][C][N][C][C][S][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][C][=C][Ring2][Ring1][C][Ring2][Ring1][=Branch1][C][=N][C][Ring2][Ring1][=N][=N][Ring2][Ring2][C]
|
CHEMBL13198
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][O]
|
CHEMBL13199
|
[O][=C][Branch1][C][O][C][N][=C][N][C][=Ring1][Branch1][C][Branch1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O]
|
CHEMBL13200
|
[C][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][/C][=C][/C][=Branch1][C][=O][N][O]
|
CHEMBL13201
|
[C][C][Branch1][C][C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][=N+1][Ring1][N][O-1]
|
CHEMBL13202
|
[N][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O]
|
CHEMBL13289
|
[C][C][N][Branch1][Ring1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][/C][=Branch1][#Branch1][=C][\C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C]
|
CHEMBL12943
|
[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C]
|
CHEMBL12944
|
[C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][N][C][C][C][C][C][C][Ring1][#Branch1]
|
CHEMBL12945
|
[O][=S][=Branch1][C][=O][Branch2][Ring2][Ring1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL13029
|
[N][C][=N][C][Branch1][C][N][=C][N][=C][Branch2][Ring2][=Branch2][C][N][C][C][O][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][C][=C][Ring2][Ring1][C][Ring2][Ring1][=Branch1][C][=N][C][Ring2][Ring1][=N][=N][Ring2][Ring2][C]
|
CHEMBL13151
|
[O][=C][Branch2][Ring2][#C][C@@H1][Branch2][Ring1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][C][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2]
|
CHEMBL13246
|
[C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL13247
|
[C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL13249
|
[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][Ring1][=C][=C][Ring2][Ring1][C]
|
CHEMBL3309424
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][S][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O][C][=Branch1][C][=O][O][C]
|
CHEMBL13171
|
[C][C][=Branch1][C][=O][O][C][C][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL13172
|
[C][C][Branch1][C][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=N+1][Ring1][N][O-1]
|
CHEMBL13173
|
[C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL13174
|
[C][N][Branch1][C][C][C@@H1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][O][C][C][Branch1][C][O][C][=C][Branch1][#Branch1][C][C@H1][Ring1][#Branch1][Ring1][S][C@@][Branch1][C][C][Branch1][C][O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][S][=O]
|
CHEMBL1163478
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][/N][=C][/C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N]
|
CHEMBL525
|
[N][P][=Branch1][C][=O][Branch1][C][O][N][Branch1][Ring2][C][C][Cl][C][C][Cl]
|
CHEMBL4543363
|
[N][C][=C][C][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][C][Branch1][C][N][=N][Ring1][S]
|
CHEMBL4543364
|
[O][=C][Branch1][S][C][S][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL13290
|
[O][=C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][C]
|
CHEMBL523
|
[O][=C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][C]
|
CHEMBL13291
|
[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2]
|
CHEMBL13292
|
[C][C][C][Branch1][Ring1][C][C][C][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@H1][Branch2][Ring1][P][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=N][C][Ring2][Ring1][O]
|
CHEMBL13379
|
[C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring2][Ring1][Ring1]
|
CHEMBL13030
|
[C][N][C][C][C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][O][C][Ring1][Ring1][Ring2][Ring1][Ring2]
|
CHEMBL13031
|
[O][=C][Branch1][C][O][C][C][C][=C][NH1][C][Branch2][#Branch1][C][C][C][NH1][C][Branch2][Branch1][#Branch1][C][C][NH1][C][Branch2][Ring1][N][C][C][NH1][C][Branch1][Ring1][C][O][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Ring1][N][C][C][=Branch1][C][=O][O][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Ring2][Ring1][O][C][C][=Branch1][C][=O][O][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Ring2][Ring2][#Branch2][C][C][=Branch1][C][=O][O][=C][Ring2][Branch1][Ring2][C][C][=Branch1][C][=O][O]
|
CHEMBL13032
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=N][C][C][C][C][N][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring1][N][=Branch1][C][=O][=O][C][C][Ring2][Ring1][Branch2]
|
CHEMBL13034
|
[N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL13406
|
[C][C][Branch1][C][C][N][C][=Branch1][C][=S][N][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][O][C][O][Ring1][#Branch1]
|
CHEMBL3309395
|
[C][C@H1][Branch1][C][O][C][N][C][=N][C][=C][C][Branch2][Branch1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][C][=C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][S][=C][Ring2][Ring1][=Branch2][=N][Ring2][Ring2][Branch1]
|
CHEMBL13250
|
[C][C][Branch1][C][C][N][Branch2][Ring2][Ring1][C][C][C][Branch1][#C][C][C][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C]
|
CHEMBL13251
|
[C][C][N][Branch1][Ring1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=Branch1][O][=C][\C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL13331
|
[C][C][Branch1][C][C][C][=C][Branch1][C][O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][#Branch2][=O]
|
CHEMBL13332
|
[C][C][C][C][C][C][C][N][Branch1][Ring1][C][C][C][C][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O]
|
CHEMBL13271
|
[C][N][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][S][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][=C][Ring1][S][Ring2][Ring1][Branch2]
|
CHEMBL13272
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1]
|
CHEMBL13274
|
[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2].[N][/C][=Branch1][Ring1][=N][\O][N][/N][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
|
CHEMBL13354
|
[C][C][NH1][C][Branch2][Ring1][Branch1][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O][=C][Branch1][C][C][C][=Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL3309337
|
[O][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL13380
|
[C][C][C][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][N][=C][N][=C][Ring1][Branch1][N][=Ring2][Ring1][Branch1]
|
CHEMBL13381
|
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][C][O][C][O][Ring1][#Branch1]
|
CHEMBL13383
|
[C][C][Branch1][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][C][Ring1][#C]
|
CHEMBL13407
|
[C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][Ring1][#C][S][C][Ring2][Ring2][Ring1]
|
CHEMBL13408
|
[C][=C][C][=C][Branch2][Ring1][#C][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][N][Ring2][Ring1][Ring1][Ring1][S][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL13410
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Branch1][#C][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][Cl]
|
CHEMBL13128
|
[N][#C][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][N]
|
CHEMBL3309420
|
[C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O]
|
CHEMBL13333
|
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2][O][C][O][Ring1][#Branch1]
|
CHEMBL13334
|
[C][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P]
|
CHEMBL13335
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][=C][C][C][N][Branch1][Ring1][C][=O][C][C][Ring1][Branch2]
|
CHEMBL13424
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL13425
|
[C][N][C][C@@H1][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch1]
|
CHEMBL13355
|
[C][C][C][=C][C][=Branch1][#C][=N][C][=C][N+1][Branch1][C][C][=C][C][=C][Ring1][O][Ring1][#Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][C][C][O][C][=Branch1][C][=O][C@][Ring1][O][Branch1][C][O][C][C].[I-1]
|
CHEMBL13356
|
[C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl].[Cl]
|
CHEMBL13357
|
[O][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Ring1][C][Cl][=C][C][=C][Ring1][Branch2][O][C][Ring1][N][=O]
|
CHEMBL13358
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2]
|
CHEMBL13445
|
[C][#C][C][O][/N][=C][Branch2][Ring1][N][\C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][O][C@H1][Ring1][N][Ring1][=Branch2][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1]
|
CHEMBL13446
|
[C][C][Branch1][C][C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1].[Cl]
|
CHEMBL13447
|
[C][C][C@H1][Branch2][Branch1][N][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][Branch2][Ring1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL13469
|
[C][C][C][C][C][=C][Branch1][C][O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Ring1][N][C][C][C][C][N][Ring2][Ring1][Ring1][C][Ring2][Ring1][S][=O]
|
CHEMBL13470
|
[C][=C][C][N][C][C@H1][Branch1][C][C][N][Branch2][Ring2][=Branch1][C@H1][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C@H1][Ring2][Ring1][=N][C]
|
CHEMBL13471
|
[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=Branch1][C][=O][C][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][C][C][C][C][C][C][Ring1][#Branch1]
|
CHEMBL13472
|
[C][C][C][C][=C][Branch1][C][O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][#Branch2][=O]
|
CHEMBL13129
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch2][Ring1][S][=C][/C][=C][/C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=S+1][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring2][Ring1][O].[Cl-1]
|
CHEMBL13130
|
[O][=P][Branch1][C][O][Branch1][C][O][C][C][C][C][C][N][C][=N][C][=C][Branch1][C][O][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2]
|
CHEMBL13131
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][C][N][C][Branch1][C][C][=O]
|
CHEMBL13132
|
[O][=C][Branch2][Branch1][#Branch1][N][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL13135
|
[C][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][C][=Branch1][C][=O][N][Ring1][S][C]
|
CHEMBL13229
|
[C][C][C][C][=C][Branch1][C][O][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][O][=O]
|
CHEMBL13426
|
[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][O][C][S][C][C][C][C][C][C][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][O][Ring2][Ring1][=Branch2]
|
CHEMBL13428
|
[C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P][Ring1][O]
|
CHEMBL13152
|
[C][N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][/C][=C][/C][=Branch1][C][=O][N][O]
|
CHEMBL13153
|
[C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][Branch1][O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][C][C][=C][Ring1][=Branch2][O][C]
|
CHEMBL13448
|
[C][C][Branch1][C][C][Branch2][Ring1][=Branch1][C][C][N][C][=N][C][=C][Branch1][C][O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][Ring1][O][C][C][P][=Branch1][C][=O][Branch1][C][O][O]
|
CHEMBL13450
|
[C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][S+1][Branch1][C][C][O-1][N][C][C][C][C][Ring1][Branch1]
|
CHEMBL13451
|
[C][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2].[Cl]
|
CHEMBL13452
|
[O][=C][Branch1][C][O][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][Branch1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N]
|
CHEMBL13176
|
[O][=C][Branch1][C][O][C][=C][C][=C][N][Ring1][Branch1][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][Branch2][C][=C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL13178
|
[C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL13180
|
[Cl].[N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O]
|
CHEMBL13181
|
[C][C][C@H1][Branch2][Branch1][N][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][Branch2][Ring1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O]
|
CHEMBL13844
|
[C][=C][C][=C][Branch1][#Branch2][S][C][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][=N]
|
CHEMBL13845
|
[N][=C][Branch1][C][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2]
|
CHEMBL13846
|
[C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][S][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL13550
|
[O][=C][Branch2][Ring2][Ring2][N][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL13552
|
[C][C][Branch1][C][C][N][C][Branch1][C][S][=N][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][O][C][O][Ring1][#Branch1]
|
CHEMBL13871
|
[C][C][N][Branch1][O][C][C][C][C][C][C][Branch1][C][F][F][C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O]
|
CHEMBL13872
|
[C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][#C]
|
CHEMBL13581
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch2][Ring1][S][=C][/C][=C][/C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=Se+1][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][Se][Ring2][Ring1][O].[Cl-1]
|
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