chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL13414
|
[C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL13339
|
[C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL13340
|
[C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL13341
|
[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Ring2][Ring1][Branch1]
|
CHEMBL13455
|
[C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1].[Cl]
|
CHEMBL13456
|
[O][=C][Branch1][C][O][C][C][=C][C][Branch1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][N][=Ring1][=C]
|
CHEMBL13458
|
[O][=C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P]
|
CHEMBL13183
|
[C][C][Branch1][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]
|
CHEMBL13184
|
[C][C][Branch1][C][C][=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]
|
CHEMBL13389
|
[C][O][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]
|
CHEMBL13473
|
[C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][Ring1][P][=C][Ring2][Ring1][Branch1]
|
CHEMBL13474
|
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][O][C][O][Ring1][#Branch1]
|
CHEMBL13475
|
[Cl].[N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
|
CHEMBL13476
|
[O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL13136
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring1][#C][=O]
|
CHEMBL13137
|
[C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring1][P][Ring2][Ring1][Branch2]
|
CHEMBL13139
|
[O][=C][Branch1][C][O][C][C][N][C][C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][C][C][Ring2][Ring1][Branch2]
|
CHEMBL13140
|
[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Ring2][Ring1][=Branch2]
|
CHEMBL13430
|
[C][O][C][C@H1][O][C][=Branch1][C][=O][C][=C][O][C][=C][Ring1][Branch1][C@@][Ring1][#Branch2][Branch1][C][C][C][=C][Branch1][Branch1][C][Ring1][#Branch1][=O][C@@H1][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][C@@][Ring1][#Branch1][Branch1][C][C][C][C@H1][Ring1][=C][O][C][Branch1][C][C][=O]
|
CHEMBL13431
|
[C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][O][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][S+1][Branch1][C][C][O-1][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][N][=O]
|
CHEMBL13432
|
[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][N][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL13160
|
[O][=C][Branch1][C][O][C][=C][N][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Ring1][=N][=N][Ring1][S]
|
CHEMBL13161
|
[C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][C][=Branch1][C][=O][N][Ring1][#C]
|
CHEMBL13185
|
[O-1][N+1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][C][C][C][Ring1][Branch1]
|
CHEMBL13186
|
[C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][=N][C][=Branch1][C][=O][N][C][N][=N][NH1][N][=Ring1][Branch1][=C][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1]
|
CHEMBL13187
|
[C][C][O][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C][=Ring1][#C]
|
CHEMBL13188
|
[C][O][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL13280
|
[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Ring2][Ring1][=Branch1]
|
CHEMBL521
|
[C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][O]
|
CHEMBL13281
|
[C][C][=C][C][=C][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=C][O][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL13393
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL13394
|
[C][C][Branch1][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]
|
CHEMBL13117
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][Ring1][N][=C][Ring1][S]
|
CHEMBL13118
|
[C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL13235
|
[C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][C][C][=Branch1][C][=O][N][O]
|
CHEMBL13236
|
[N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL13237
|
[C][C][C][N][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1].[Cl]
|
CHEMBL13238
|
[C][C][Branch1][C][C][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]
|
CHEMBL13239
|
[C][C][Branch1][C][C][Branch1][C][S][C][Branch1][C][N][C][=Branch1][C][=O][O]
|
CHEMBL13240
|
[C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][O][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch1][O][C][C][=C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch2][Ring2][Ring1][#Branch1][N][Branch1][C][C][C][Ring2][Ring1][S][=O]
|
CHEMBL13162
|
[C][C][Branch1][C][C][N][Branch2][Ring1][P][C][C][C][Branch1][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][C][C]
|
CHEMBL13164
|
[C][C][Branch1][C][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]
|
CHEMBL13165
|
[N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]
|
CHEMBL13260
|
[O][=C][NH1][C][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=C][NH1][C][Ring2][Ring1][C][=O]
|
CHEMBL13261
|
[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][=C][C][Ring1][=Branch1][C][Ring1][Branch1]
|
CHEMBL13262
|
[O][C][C][=C][N][C][Branch1][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring1][=N]
|
CHEMBL13282
|
[C][O][C][=Branch1][C][=O][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][Ring1][#C]
|
CHEMBL13283
|
[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]
|
CHEMBL13284
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C]
|
CHEMBL13364
|
[C][#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]
|
CHEMBL13365
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL3309339
|
[C][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][P][=O]
|
CHEMBL13214
|
[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][=C][C][S][C][C][N][C][=Branch1][C][=O][N][C][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][O][Ring2][Ring1][#Branch2]
|
CHEMBL13299
|
[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][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL13300
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][O]
|
CHEMBL13301
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][N]
|
CHEMBL13321
|
[C][C][C][C@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][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][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL13322
|
[O][C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O]
|
CHEMBL13324
|
[O][=C][Branch1][C][O][C][=C][N][C][Branch1][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring1][=N]
|
CHEMBL13325
|
[C][N][C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Ring2][Ring1][Ring2]
|
CHEMBL13326
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][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][N][C][Branch1][C][C][=O]
|
CHEMBL13263
|
[N][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL13264
|
[C][N][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][N][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][C][=C][Ring1][=C][Ring2][Ring1][=Branch1]
|
CHEMBL13265
|
[O][=C][Branch2][Branch1][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][Branch1][C][O][=C][Ring1][Branch2][N][C][C][C][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2]
|
CHEMBL13342
|
[O][=C][Branch1][S][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][C]
|
CHEMBL3309316
|
[C][O][C][=C][C][=C][Branch2][Ring2][P][O][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][=C][Ring2][Ring1][O][F][C][=C][N][=C][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][#Branch1][O][C][C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL13366
|
[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][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O]
|
CHEMBL13367
|
[C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][S][C][Branch2][Ring1][=Branch1][C][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][Ring1][O][C][C][=C][Ring1][Branch2]
|
CHEMBL13368
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N+1][Branch1][C][O-1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N]
|
CHEMBL1163481
|
[O][=C][Branch2][Ring1][=N][C][C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL3309356
|
[C][O][C][=N][O][N][=C][Ring1][Branch1][S][Branch1][C][N][=Branch1][C][=O][=O]
|
CHEMBL3309357
|
[C][C][O][C][=N][O][N][=C][Ring1][Branch1][S][Branch1][C][N][=Branch1][C][=O][=O]
|
CHEMBL3309358
|
[C][C][C][C][O][C][=N][O][N][=C][Ring1][Branch1][S][Branch1][C][N][=Branch1][C][=O][=O]
|
CHEMBL13302
|
[C][C][C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=N][Ring1][Branch2]
|
CHEMBL13303
|
[C][C][=Branch1][C][=O][O].[C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL13304
|
[C][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]
|
CHEMBL13390
|
[C][C][=C][Branch1][C][O][N][Branch1][=Branch2][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]
|
CHEMBL4543366
|
[C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL13391
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][Ring1][N][=C][Ring1][S]
|
CHEMBL13392
|
[C][C][O][C][=Branch1][C][=O][C][=C][N][C][Branch2][Ring1][Ring1][C][=C][Branch1][C][Cl][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N][=N][Ring1][#C]
|
CHEMBL13416
|
[O][=C][Branch1][C][O][C][=C][N][C][Branch2][Ring1][Ring1][C][=C][Branch1][C][Cl][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N][=N][Ring1][#C]
|
CHEMBL13417
|
[C][C][N][Branch1][O][C][C][C][C][C][C][Branch1][C][C][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]
|
CHEMBL13419
|
[O][=C][Branch1][C][O][C][=C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring1][=N]
|
CHEMBL4543209
|
[O][=C][Branch2][Ring1][Ring1][N][/N][=C][/C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][Br]
|
CHEMBL4543210
|
[C][/C][=C][\C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@H1][Ring1][=N][C][C@@H1][Ring1][P][/C][=Branch1][Ring2][=C][\O][C][C][=Branch1][C][=O][O][C]
|
CHEMBL13420
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL13421
|
[O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Br][N][C][C][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Br][C][Ring2][Ring1][C]
|
CHEMBL13344
|
[C][C][S][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]
|
CHEMBL13345
|
[O][=C][Branch1][=Branch2][N][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O]
|
CHEMBL13346
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C]
|
CHEMBL13347
|
[O][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch2]
|
CHEMBL13348
|
[O][=C][Branch1][C][O][C][N][=C][N][Branch1][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring2][Ring1][Ring1]
|
CHEMBL13433
|
[C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][Ring1][O][S][C][Ring2][Ring1][=Branch1]
|
CHEMBL13459
|
[C][C][C][C][C][N][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]
|
CHEMBL13460
|
[Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=N][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][N][Ring1][#Branch2][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
|
CHEMBL13461
|
[O][=C][Branch1][C][O][C][=C][N][C][Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Ring1][O][=N][Ring1][=C]
|
CHEMBL13189
|
[C][C][Branch1][C][C][N][Branch2][Ring2][Branch1][C][C][C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][C][C]
|
CHEMBL13477
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][Ring1][=Branch1][C][C][N][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C@][C][C][C][Branch1][=Branch1][C][C][Ring1][=Branch1][=O][C][Ring1][Branch2][Branch1][C][C][C][C][C][Ring2][Ring1][Ring2]
|
CHEMBL13208
|
[C][N][Branch1][C][C][C@@H1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][O][C@@][Branch1][C][O][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C@][Branch1][C][C][Branch1][C][O][C][Ring1][=C][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=C][Ring2][Ring1][Branch1]
|
CHEMBL13209
|
[O][=C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][N][Ring2][Ring1][Ring2]
|
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