ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1930297 | COc1ccc(C#CCNC(=O)c2c[nH]c3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c15ccc(C#CC6)cc1.c17c[nH]c2ccccc12.C47=O.CO5.N46 |
1930298 | Cn1cccc1CNC(=O)Cn1nc2c(cc1=O)CCCCC2 | [C][N][C][=C][C][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][N][N][=C][C][=Branch1][=Branch1][=C][C][Ring1][=Branch1][=O][C][C][C][C][C][Ring1][#Branch2] | n15nc2c(cc1=O)CCCCC2.Cn1cccc16.C3(=O)C5.C46.N34 |
1930299 | COc1ccc(C#CCNC(=O)c2c(C)nc3ccccn23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][#C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c15ccc(C#CC6)cc1.c17c(C)nc2ccccn12.C47=O.CO5.N46 |
1930300 | COc1ccc(C#CCNC(=O)c2cc(C)on2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][#C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c14ccc(C#CC5)cc1.c16cc(C)on1.C36=O.CO4.N35 |
1930301 | COc1ccccc1C#CCNC(=O)CCC(=O)c1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccccc1C#CC4.C2(=O)CCC5=O.c15ccccc1.CO3.N24 |
1930302 | COc1ccccc1C#CCNC(=O)c1ccc(=O)n(C)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2] | c13ccccc1C#CC4.c15ccc(=O)n(C)n1.C25=O.CO3.N24 |
1930303 | Cc1cccnc1NC(=O)Cn1nc2c(cc1=O)CCCCC2 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=C][C][=Branch1][=Branch1][=C][C][Ring1][=Branch1][=O][C][C][C][C][C][Ring1][#Branch2] | n15nc2c(cc1=O)CCCCC2.Cc1cccnc14.C3(=O)C5.N34 |
1930304 | Cc1ccc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)nc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][N][=C][C][=Branch1][=Branch1][=C][C][Ring1][=Branch1][=O][C][C][C][C][C][Ring1][#Branch2][N][=C][Ring2][Ring1][=Branch1] | n16nc2c(cc1=O)CCCCC2.Cc1ccc5nc1.C4(=O)C6.N45 |
1930305 | COc1ccccc1C#CCNC(=O)c1c[nH]c2ccccc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c14ccccc1C#CC5.c16c[nH]c2ccccc12.C36=O.CO4.N35 |
1930306 | COc1ccccc1C#CCNC(=O)c1c(C)nc2ccccn12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1] | c14ccccc1C#CC5.c16c(C)nc2ccccn12.C36=O.CO4.N35 |
1930307 | COc1ccccc1C#CCNC(=O)c1cc(C)on1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c13ccccc1C#CC4.c15cc(C)on1.C25=O.CO3.N24 |
1930308 | CC(=O)c1ccc(C#CCNC(=O)CCC(=O)c2ccccc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c15ccc(C#CC4)cc1.C3(=O)CCC6=O.c16ccccc1.CC5=O.N34 |
1930309 | CC(=O)c1ccc(C#CCNC(=O)c2ccc(=O)n(C)n2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c16ccc(C#CC4)cc1.c15ccc(=O)n(C)n1.CC6=O.C35=O.N34 |
1930310 | N#Cc1ncoc1N1CCC(Cc2ccccc2)CC1 | [N][#C][C][N][=C][O][C][=Ring1][Branch1][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | N#Cc1ncoc13.N13CCC4CC1.c15ccccc1.C45 |
1930311 | CC(=O)c1ccc(C#CCNC(=O)c2c[nH]c3ccccc23)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c16ccc(C#CC5)cc1.c17c[nH]c2ccccc12.CC6=O.C47=O.N45 |
1930312 | CC(=O)c1ccc(C#CCNC(=O)c2c(C)nc3ccccn23)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][#C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c17ccc(C#CC5)cc1.c16c(C)nc2ccccn12.CC7=O.C46=O.N45 |
1930313 | CC(=O)c1ccc(C#CCNC(=O)c2cc(C)on2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][#C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c16ccc(C#CC4)cc1.c15cc(C)on1.CC6=O.C35=O.N34 |
1930315 | Cc1cc(=O)cc(C)n1-c1cccc(C(F)(F)F)c1 | [C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Ring1][Branch2][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | Cc1cc(=O)cc(C)n13.c13cccc2c1.C2(F)(F)F |
1930316 | Cc1ccc2nc3c(cc(C(=O)N4COCC4(C)C)n3C)c(=O)n2c1 | [C][C][C][=C][C][=N][C][=C][Branch2][Ring1][Branch2][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][O][C][C][Ring1][Branch1][Branch1][C][C][C][N][Ring1][=C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C][=Ring2][Ring1][Branch2] | Cc1ccc2nc3c(cc6n3C)c(=O)n2c1.N15COCC1(C)C.C56=O |
1930317 | NC(=O)c1ccc(C#CCNC(=O)CCC(=O)c2ccccc2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c15ccc(C#CC4)cc1.C3(=O)CCC6=O.c16ccccc1.NC5=O.N34 |
1930318 | Cn1nc(C(=O)NCC#Cc2ccc(C(N)=O)cc2)ccc1=O | [C][N][N][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][C][Ring2][Ring1][Branch1][=O] | C4C#Cc1ccc6cc1.Cn1nc5ccc1=O.C35=O.C6(N)=O.N34 |
1930320 | NC(=O)c1ccc(C#CCNC(=O)CCCc2ccccc2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][#C][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c15ccc(C#CC4)cc1.C3(=O)CCC6.c16ccccc1.NC5=O.N34 |
1930321 | NC(=O)c1ccc(C#CCNC(=O)c2c[nH]c3ccccc23)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c16ccc(C#CC5)cc1.c17c[nH]c2ccccc12.NC6=O.C47=O.N45 |
1930322 | Cc1nc2ccccn2c1C(=O)NCC#Cc1ccc(C(N)=O)cc1 | [C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | Cc1nc2ccccn2c15.C4C#Cc1ccc6cc1.C35=O.C6(N)=O.N34 |
1930323 | Cc1cc(C(=O)NCC#Cc2ccc(C(N)=O)cc2)no1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=N][O][Ring2][Ring1][Ring2] | C4C#Cc1ccc6cc1.Cc1cc5no1.C35=O.C6(N)=O.N34 |
1930324 | CN(C)C(=O)c1ccc(C#CCNC(=O)c2ccc(=O)n(C)n2)cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c17ccc(C#CC5)cc1.c16ccc(=O)n(C)n1.CN3C.C37=O.C46=O.N45 |
1930326 | CN(C)C(=O)c1ccc(C#CCNC(=O)c2c[nH]c3ccccc23)cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c17ccc(C#CC6)cc1.c18c[nH]c2ccccc12.CN4C.C47=O.C58=O.N56 |
1930327 | Cc1cc(C(=O)NCC#Cc2ccc(C(=O)N(C)C)cc2)no1 | [C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][O][=N][O][Ring2][Ring1][=Branch1] | C5C#Cc1ccc7cc1.Cc1cc6no1.C36=O.C47=O.N4(C)C.N35 |
1930329 | CNC(=O)c1ccccc1C#CCNC(=O)c1ccc(=O)n(C)n1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2] | c16ccccc1C#CC4.c15ccc(=O)n(C)n1.C26=O.C35=O.CN2.N34 |
1930330 | CNC(=O)c1ccccc1C#CCNC(=O)CCCc1ccccc1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1C#CC4.C3(=O)CCC6.c16ccccc1.C25=O.CN2.N34 |
1930331 | CNC(=O)c1ccccc1C#CCNC(=O)c1c[nH]c2ccccc12 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c16ccccc1C#CC5.c17c[nH]c2ccccc12.C36=O.C47=O.CN3.N45 |
1930332 | CNC(=O)c1ccccc1C#CCNC(=O)c1c(C)nc2ccccn12 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1] | c17ccccc1C#CC5.c16c(C)nc2ccccn12.C37=O.C46=O.CN3.N45 |
1930333 | CNC(=O)c1ccccc1C#CCNC(=O)c1cc(C)on1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c16ccccc1C#CC4.c15cc(C)on1.C26=O.C35=O.CN2.N34 |
1930334 | Cn1nc(C(=O)NCC#Cc2ccccc2C(F)(F)F)ccc1=O | [C][N][N][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring2][Ring1][=Branch1][=O] | C4C#Cc1ccccc16.Cn1nc5ccc1=O.C6(F)(F)F.C35=O.N34 |
1930335 | Cc1cc(C(=O)NCC#Cc2ccccc2C(F)(F)F)no1 | [C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][O][Ring2][Ring1][Branch1] | C4C#Cc1ccccc16.Cc1cc5no1.C6(F)(F)F.C35=O.N34 |
1930336 | O=C(NCC#Cc1ccc(N2CCCCC2=O)cc1)c1cnccn1 | [O][=C][Branch2][Ring1][Branch2][N][C][C][#C][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][C][=C][N][=C][C][=N][Ring1][=Branch1] | C4C#Cc1ccc6cc1.N16CCCCC1=O.c15cnccn1.O=C35.N34 |
1930337 | Cn1cc(C(=O)NCC#Cc2ccc(N3CCCCC3=O)cc2)nn1 | [C][N][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][N][=N][Ring2][Ring1][Branch2] | C5C#Cc1ccc7cc1.N17CCCCC1=O.Cn1cc6nn1.C46=O.N45 |
1930338 | Cc1cc(C(=O)NCC#Cc2ccc(N3CCOC3=O)cc2)no1 | [C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring1][N][=N][O][Ring2][Ring1][#Branch1] | C5C#Cc1ccc7cc1.Cc1cc6no1.N17CCOC1=O.C46=O.N45 |
1930340 | CC(=O)Nc1ccc(C#CCNC(=O)c2ccc(=O)n(C)n2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c16ccc(C#CC5)cc1.c17ccc(=O)n(C)n1.CC3=O.C47=O.N36.N45 |
1930341 | CC(=O)Nc1ccc(C#CCNC(=O)CCCc2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][#C][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c16ccc(C#CC5)cc1.C4(=O)CCC7.c17ccccc1.CC3=O.N36.N45 |
1930343 | CC(=O)Nc1ccc(C#CCNC(=O)c2c(C)nc3ccccn23)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][C][#C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c17ccc(C#CC6)cc1.c18c(C)nc2ccccn12.CC4=O.C58=O.N47.N56 |
1930344 | CC(=O)Nc1ccc(C#CCNC(=O)c2cc(C)on2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][#C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c16ccc(C#CC5)cc1.c17cc(C)on1.CC3=O.C47=O.N36.N45 |
1930345 | CN(C)c1ccc(C#CCNC(=O)CCC(=O)c2ccccc2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c15ccc(C#CC4)cc1.C3(=O)CCC6=O.c16ccccc1.CN5C.N34 |
1930346 | CN(C)c1ccc(C#CCNC(=O)c2ccc(=O)n(C)n2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c15ccc(C#CC4)cc1.c16ccc(=O)n(C)n1.CN5C.C36=O.N34 |
1930347 | CN(C)c1ccc(C#CCNC(=O)c2c[nH]c3ccccc23)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c16ccc(C#CC5)cc1.c17c[nH]c2ccccc12.CN6C.C47=O.N45 |
1930348 | Cc1nc2ccccn2c1C(=O)NCC#Cc1ccc(N(C)C)cc1 | [C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2] | Cc1nc2ccccn2c16.C4C#Cc1ccc5cc1.C36=O.N5(C)C.N34 |
1930349 | Cc1cc(C(=O)NCC#Cc2ccc(N(C)C)cc2)no1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][O][Ring2][Ring1][Ring2] | C4C#Cc1ccc5cc1.Cc1cc6no1.C36=O.N5(C)C.N34 |
1930350 | CN(C)c1ccccc1C#CCNC(=O)CCC(=O)c1ccccc1 | [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1C#CC3.C2(=O)CCC5=O.c15ccccc1.CN4C.N23 |
1930351 | CN(C)c1ccccc1C#CCNC(=O)c1ccc(=O)n(C)n1 | [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2] | c14ccccc1C#CC3.c15ccc(=O)n(C)n1.CN4C.C25=O.N23 |
1930352 | CN(C)c1ccccc1C#CCNC(=O)c1c[nH]c2ccccc12 | [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c15ccccc1C#CC4.c16c[nH]c2ccccc12.CN5C.C36=O.N34 |
1930353 | Cc1nc2ccccn2c1C(=O)NCC#Cc1ccccc1N(C)C | [C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C] | Cc1nc2ccccn2c16.C4C#Cc1ccccc15.C36=O.N5(C)C.N34 |
1930354 | Cc1cc(C(=O)NCC#Cc2ccccc2N(C)C)no1 | [C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=N][O][Ring2][Ring1][Ring2] | C4C#Cc1ccccc15.Cc1cc6no1.C36=O.N5(C)C.N34 |
1930355 | O=C(NCC#Cc1ccc(N2CCNC2=O)cc1)c1ccc(=O)[nH]c1 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][#C][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][Ring1][Branch1][=O][C][=C][Ring1][N][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1] | C4C#Cc1ccc6cc1.c15ccc(=O)[nH]c1.N16CCNC1=O.O=C35.N34 |
1930356 | O=C(NCC#Cc1ccc(N2CCNC2=O)cc1)c1cnccn1 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][#C][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][Ring1][Branch1][=O][C][=C][Ring1][N][C][=C][N][=C][C][=N][Ring1][=Branch1] | C4C#Cc1ccc6cc1.N16CCNC1=O.c15cnccn1.O=C35.N34 |
1930357 | O=S(=O)(NCC#Cc1ccccc1F)C1CCCCC1 | [O][=S][=Branch1][C][=O][Branch1][=C][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][C][C][C][Ring1][=Branch1] | C2C#Cc1ccccc1F.O=S3(=O)C1CCCCC1.N23 |
1930358 | O=S(=O)(NCC#Cc1ccc(F)cc1)C1CCCCC1 | [O][=S][=Branch1][C][=O][Branch1][S][N][C][C][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][C][C][Ring1][=Branch1] | C2C#Cc1ccc(F)cc1.O=S3(=O)C1CCCCC1.N23 |
1930359 | COc1ccc(C#CCNS(=O)(=O)C2CCCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][#C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c13ccc(C#CC4)cc1.S5(=O)(=O)C1CCCCC1.CO3.N45 |
1930360 | COc1ccccc1C#CCNS(=O)(=O)C1CCCCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1] | c12ccccc1C#CC3.S4(=O)(=O)C1CCCCC1.CO2.N34 |
1930361 | CC(=O)c1ccc(C#CCNS(=O)(=O)C2CCCCC2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][#C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc(C#CC3)cc1.S4(=O)(=O)C1CCCCC1.CC5=O.N34 |
1930362 | NC(=O)c1ccc(C#CCNS(=O)(=O)C2CCCCC2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][#C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc(C#CC3)cc1.S4(=O)(=O)C1CCCCC1.NC5=O.N34 |
1930364 | CNC(=O)c1ccccc1C#CCNS(=O)(=O)C1CCCCC1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1] | c15ccccc1C#CC3.S4(=O)(=O)C1CCCCC1.C25=O.CN2.N34 |
1930365 | O=C(NCC#Cc1ccc(N2CCOC2=O)cc1)Nc1cccs1 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][#C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring1][N][N][C][=C][C][=C][S][Ring1][Branch1] | C5C#Cc1ccc7cc1.N17CCOC1=O.c16cccs1.O=C34.N35.N46 |
1930366 | CC(=O)Nc1ccc(C#CCNS(=O)(=O)C2CCCCC2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][#C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c16ccc(C#CC4)cc1.S5(=O)(=O)C1CCCCC1.CC3=O.N36.N45 |
1930367 | CN(C)c1ccc(C#CCNS(=O)(=O)C2CCCCC2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][#C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc(C#CC3)cc1.S4(=O)(=O)C1CCCCC1.CN5C.N34 |
1930368 | CN(C)c1ccccc1C#CCNS(=O)(=O)C1CCCCC1 | [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1] | c14ccccc1C#CC2.S3(=O)(=O)C1CCCCC1.CN4C.N23 |
1930369 | O=C(CNC(=O)c1ccccc1)NCCCn1ccc2cccnc21 | [O][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | n18ccc2cccnc21.c17ccccc1.O=C3C5.C6CC8.C47=O.N45.N36 |
1930370 | O=C(NCCCn1ccc2cccnc21)c1ccc(=O)[nH]c1 | [O][=C][Branch2][Ring1][C][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1] | n16ccc2cccnc21.c15ccc(=O)[nH]c1.C4CC6.O=C35.N34 |
1930371 | O=C(CCn1ccc(=O)[nH]c1=O)NCCCn1ccc2cccnc21 | [O][=C][Branch1][#C][C][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | n16ccc2cccnc21.n15ccc(=O)[nH]c1=O.O=C3CC5.C4CC6.N34 |
1930372 | C=CCCC(=O)NCCCn1ccc2cccnc21 | [C][=C][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | n15ccc2cccnc21.C=CCCC3=O.C4CC5.N34 |
1930373 | CCCCC(=O)NCCCn1ccc2cccnc21 | [C][C][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | n15ccc2cccnc21.CCCCC3=O.C4CC5.N34 |
1930374 | CC(C)(C)C(=O)NCCCn1ccc2cccnc21 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | n15ccc2cccnc21.CC(C)(C)C3=O.C4CC5.N34 |
1930375 | O=C(CCc1ccccc1)NCCCn1ccc2cccnc21 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | n15ccc2cccnc21.c16ccccc1.O=C3CC6.C4CC5.N34 |
1930376 | O=C(NCCCn1ccc2cccnc21)c1c[nH]c2ccccc12 | [O][=C][Branch2][Ring1][C][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | n16ccc2cccnc21.c15c[nH]c2ccccc12.C4CC6.O=C35.N34 |
1930377 | O=C(NCCCn1ccc2cccnc21)c1cnccn1 | [O][=C][Branch2][Ring1][C][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1] | n16ccc2cccnc21.c15cnccn1.C4CC6.O=C35.N34 |
1930378 | O=C(NCCCn1ccc2cccnc21)c1ccccn1 | [O][=C][Branch2][Ring1][C][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1] | n16ccc2cccnc21.c15ccccn1.C4CC6.O=C35.N34 |
1930379 | CN(CC(=O)NCCCn1ccc2cccnc21)S(C)(=O)=O | [C][N][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | n17ccc2cccnc21.C4C3=O.C5CC7.S6(C)(=O)=O.CN46.N35 |
1930380 | O=C(NCCCn1ccc2cccnc21)NCc1ccccc1 | [O][=C][Branch2][Ring1][C][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n17ccc2cccnc21.c18ccccc1.C5CC7.O=C34.N35.N46.C68 |
1930381 | O=C(NCCCn1ccc2cccnc21)NCc1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][C][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | n17ccc2cccnc21.c18ccc(Cl)cc1.C5CC7.O=C34.N35.N46.C68 |
1930382 | COc1ccc(CNC(=O)NCCCn2ccc3cccnc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1] | n19ccc2cccnc21.c16ccc%10cc1.C8CC9.C45=O.CO6.C7%10.N47.N58 |
1930383 | O=C(NCCCn1ccc2cccnc21)NCc1ccc(F)cc1 | [O][=C][Branch2][Ring1][C][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | n17ccc2cccnc21.c18ccc(F)cc1.C5CC7.O=C34.N35.N46.C68 |
1930384 | CC(C)NC(=O)NCCCn1ccc2cccnc21 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | n17ccc2cccnc21.C6CC7.CC5C.C34=O.N35.N46 |
1930385 | COCCNC(=O)NCCCn1ccc2cccnc21 | [C][O][C][C][N][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | n18ccc2cccnc21.C7CC8.C5C6.C34=O.CO5.N36.N47 |
1930386 | C=CCNC(=O)NCCCn1ccc2cccnc21 | [C][=C][C][N][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | n17ccc2cccnc21.C6CC7.C=CC5.C34=O.N35.N46 |
1930387 | CS(=O)(=O)NCCCn1ccc2cccnc21 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | n15ccc2cccnc21.CS4(=O)=O.C3CC5.N34 |
1930388 | CCS(=O)(=O)NCCCn1ccc2cccnc21 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | n15ccc2cccnc21.CCS4(=O)=O.C3CC5.N34 |
1930389 | CCCS(=O)(=O)NCCCn1ccc2cccnc21 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | n15ccc2cccnc21.CCCS4(=O)=O.C3CC5.N34 |
1930393 | O=S(=O)(NCCCn1ccc2cccnc21)C1CC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][C][Ring1][Ring1] | n15ccc2cccnc21.O=S4(=O)C1CC1.C3CC5.N34 |
1930394 | CC(C)S(=O)(=O)NCCCn1ccc2cccnc21 | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2] | n15ccc2cccnc21.CC(C)S4(=O)=O.C3CC5.N34 |
1930395 | Cn1nnc2c(N3CC(C(=O)NC4CCCC4)C3)ncnc21 | [C][N][N][=N][C][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][Ring1][N][N][=C][N][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] | Cn1nnc2c6ncnc21.N16CC8C1.C17CCCC1.C58=O.N57 |
1930396 | Cn1nnc2c(N3CC(C(=O)NCC4CCCO4)C3)ncnc21 | [C][N][N][=N][C][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][Ring1][=N][N][=C][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1] | Cn1nnc2c7ncnc21.N17CC8C1.C19CCCO1.C58=O.N56.C69 |
1930397 | Cn1nnc2c(N3CC(C(=O)NCCc4ccccc4)C3)ncnc21 | [C][N][N][=N][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][N][=C][N][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2] | Cn1nnc2c7ncnc21.c19ccccc1.N17CC8C1.C58=O.C6C9.N56 |
1930399 | Cn1nnc2c(N3CC(C(=O)N4CCNC(=O)C4)C3)ncnc21 | [C][N][N][=N][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][Ring1][=N][N][=C][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1] | Cn1nnc2c6ncnc21.N15CCNC(=O)C1.N16CC7C1.C57=O |
1930400 | CCn1nnc2c(N3CC(C(=O)NC4CCCC4)C3)ncnc21 | [C][C][N][N][=N][C][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][Ring1][N][N][=C][N][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] | n19nnc2c6ncnc21.N16CC8C1.C17CCCC1.C58=O.CC9.N57 |
1930401 | CCn1nnc2c(N3CC(C(=O)NCC4CCCO4)C3)ncnc21 | [C][C][N][N][=N][C][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][Ring1][=N][N][=C][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1] | n19nnc2c7ncnc21.N17CC8C1.C1%10CCCO1.C58=O.CC9.N56.C6%10 |
1930402 | CCn1nnc2c(N3CC(C(=O)N4CCNC(=O)C4)C3)ncnc21 | [C][C][N][N][=N][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][Ring1][=N][N][=C][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1] | n18nnc2c6ncnc21.N15CCNC(=O)C1.N16CC7C1.C57=O.CC8 |
1930403 | COc1cccc(CC(=O)NCCc2ccoc2)c1 | [C][O][C][=C][C][=C][C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][=C][O][C][=Ring1][Branch1][=C][Ring1][P] | c14cccc6c1.c17ccoc1.C6C3=O.C5C7.CO4.N35 |
1930404 | O=C(Cc1ccc(Cl)cc1)NCCc1ccoc1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][C][=C][O][C][=Ring1][Branch1] | c14ccc(Cl)cc1.c15ccoc1.O=C2C4.C3C5.N23 |
1930405 | O=C(NCCc1ccoc1)c1cc2ccccc2oc1=O | [O][=C][Branch1][O][N][C][C][C][C][=C][O][C][=Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] | c15cc2ccccc2oc1=O.c16ccoc1.O=C35.C4C6.N34 |
1930406 | O=C(NCCc1ccoc1)C1CC(=O)N(c2ccccc2)C1 | [O][=C][Branch1][O][N][C][C][C][C][=C][O][C][=Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | C15CC(=O)N7C1.c17ccccc1.c16ccoc1.O=C35.C4C6.N34 |
1930407 | CCOc1ccc2ccccc2c1C(=O)NCCc1ccoc1 | [C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][=C][O][C][=Ring1][Branch1] | c15ccc2ccccc2c17.c18ccoc1.C37=O.C6C8.CC4.O45.N36 |
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