ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
36444 | CC1CCN(C(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)CC1 | [C][C][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][C][Ring2][Ring1][#Branch1] | n16cc5c2ccccc21.CC1CCN4CC1.C5(=O)C(C)C.C4(=O)C6 |
36445 | CCC(=O)c1cn(CC(=O)N2C(C)CCCC2C)c2ccccc12 | [C][C][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c14cn5c2ccccc12.N13C(C)CCCC1C.CCC4=O.C5C3=O |
36446 | CC(C)NC(=O)Cn1cc(C(=O)C(C)C)c2ccccc21 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | n16cc5c2ccccc21.C5(=O)C(C)C.C3(=O)C6.CC4C.N34 |
36447 | CC(C)C(=O)c1cn(CC(=O)NC2CCCC2)c2ccccc12 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c15cn6c2ccccc12.CC(C)C5=O.C14CCCC1.C6C3=O.N34 |
36448 | CCC(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 | [C][C][C][=Branch1][C][=O][C][=C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c14cn5c2ccccc12.N13CCCCC1.CCC4=O.C5C3=O |
36449 | CCC(=O)c1cn(CC(=O)NC(C)C)c2ccccc12 | [C][C][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] | c15cn6c2ccccc12.CCC5=O.C6C3=O.C4(C)C.N34 |
36450 | CCC(=O)c1cn(CC(=O)N2CCC(C)CC2)c2ccccc12 | [C][C][C][=Branch1][C][=O][C][=C][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c14cn5c2ccccc12.N13CCC(C)CC1.CCC4=O.C5C3=O |
36452 | CCC(=O)c1cn(CC(=O)NCC2CCCO2)c2ccccc12 | [C][C][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c15cn6c2ccccc12.C17CCCO1.CCC5=O.C6C3=O.N34.C47 |
36453 | CCC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12 | [C][C][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c15cn6c2ccccc12.c17ccco1.CCC5=O.C6C3=O.N34.C47 |
36454 | CCn1c(SCC(=O)NC(C)(C)C)nnc1C1CCCCC1 | [C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=C][C][C][C][C][C][C][Ring1][=Branch1] | n15c6nnc17.C17CCCCC1.C4C2=O.C3(C)(C)C.CC5.S46.N23 |
36455 | CCN(CC)C(=O)CSc1nnc(C2CCCCC2)n1CC | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][O][C][C] | c18nnc9n17.C19CCCCC1.C3(=O)C6.N345.CC4.C5C.S68.C7C |
36456 | C=CCn1c(CCNC(=O)C(C)C)nc2ccccc21 | [C][=C][C][N][C][Branch1][=N][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n15c6nc2ccccc21.C3(=O)C(C)C.C=CC5.C6C4.N34 |
36457 | CCn1c(CCNC(=O)C(C)C)nc2ccccc21 | [C][C][N][C][Branch1][=N][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n15c6nc2ccccc21.C3(=O)C(C)C.C6C4.CC5.N34 |
36458 | C=C(C)Cn1c(CCNC(=O)C(C)C)nc2ccccc21 | [C][=C][Branch1][C][C][C][N][C][Branch1][=N][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n15c6nc2ccccc21.C3(=O)C(C)C.C=C(C)C5.C6C4.N34 |
36459 | CC(C)C(=O)c1cn(CC(=O)NC(C)(C)C)c2ccccc12 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c15cn6c2ccccc12.CC(C)C5=O.C6C3=O.C4(C)(C)C.N34 |
36460 | CC(C)C(=O)c1cn(CC(=O)NCc2ccccc2)c2ccccc12 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c15cn6c2ccccc12.c17ccccc1.CC(C)C5=O.C6C3=O.N34.C47 |
36461 | CCN(CC)C(=O)Cn1cc(C(=O)C(C)C)c2ccccc21 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | n17cc6c2ccccc21.C6(=O)C(C)C.C3(=O)C7.N345.CC4.C5C |
36462 | O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NC1CCCC1 | [O][=C][Branch2][Ring1][N][C][N][C][=C][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S][N][C][C][C][C][C][Ring1][Branch1] | n17cc6c2ccccc21.c15ccco1.C14CCCC1.O=C3C7.C56=O.N34 |
36465 | Cc1nc(NC(=O)c2ccco2)ccc1Br | [C][C][=N][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][=C][Br] | Cc1nc4ccc1Br.c15ccco1.C35=O.N34 |
36466 | Cc1nc(NC(=O)Cc2ccccc2)ccc1Br | [C][C][=N][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][Br] | Cc1nc4ccc1Br.c15ccccc1.C3(=O)C5.N34 |
36467 | CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | c16ccccc1.N12CCCC1.CS5(=O)=O.C4C2=O.N345.C3C6 |
36470 | CCN(CC)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] | S4(=O)(=O)c1ccc6cc1.S5(C)(=O)=O.N234.CC2.C3C.N56 |
36472 | COC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][Cl] | S4(=O)(=O)c1ccccc1.c16cc5ccc1Cl.C36=O.CO3.N45 |
36473 | CS(=O)(=O)Nc1ccc(Br)cc1F | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F] | c13ccc(Br)cc1F.CS2(=O)=O.N23 |
36474 | COc1cc(C(=O)Nc2ccc(F)c(F)c2F)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc8cc5c16.c17ccc(F)c(F)c1F.C38=O.CO4.N37.O5C.O6C |
36475 | COC(=O)c1cc(NS(C)(=O)=O)ccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][O][Cl] | c15cc4ccc1Cl.S3(C)(=O)=O.C25=O.CO2.N34 |
36476 | COc1ccc(S(=O)(=O)NCCC(C)C)cc1C | [C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][=C][Ring1][#C][C] | c12ccc(S4(=O)=O)cc1C.C3CC(C)C.CO2.N34 |
36478 | O=C(Cc1ccccc1)Nc1nc2c(s1)CCCC2 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | c14nc2c(s1)CCCC2.c15ccccc1.O=C3C5.N34 |
36479 | COc1ccc(CNc2nc3ccccc3s2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][P][O][C] | c17nc2ccccc2s1.c14ccc8cc15.CO4.C68.N67.O5C |
36480 | CCCn1nnc(NC(=O)c2cccc(Cl)c2)n1 | [C][C][C][N][N][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring1][#C] | c15cccc(Cl)c1.n16nnc4n1.CCC6.C35=O.N34 |
36483 | COC(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][S][Cl] | c16cc5ccc1Cl.c17ccc(F)cc1.C36=O.C47=O.CO3.N45 |
36484 | N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1ccccc1 | [N][#C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | N#Cc1cnn6c15.c16ccccc1.c17ccccc1.C3(=O)C4.N35.S47 |
36486 | COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][C] | c13ccc(S4(=O)=O)cc1.c15c(F)cccc1F.CO3.N45 |
36487 | COC(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][P][C] | S4(=O)(=O)c1ccc(F)cc1.c16cccc5c1C.C36=O.CO3.N45 |
36488 | Cc1nc(NC(=O)CSc2ccccc2)sc1C | [C][C][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][S][C] | Cc1nc5sc1C.c16ccccc1.C3(=O)C4.N35.S46 |
36489 | Cc1cc(C)nc(SCC(=O)Nc2nc(C)c(C)s2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc(C)nc6n1.c15nc(C)c(C)s1.C4C3=O.S46.N35 |
36490 | COC(=O)c1cc(NC(=O)c2ccccc2)ccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Cl] | c16cc5ccc1Cl.c17ccccc1.C36=O.C47=O.CO3.N45 |
36491 | Cn1c(SCC(=O)c2ccc3c(c2)OCCO3)nc2ccccc21 | [C][N][C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | Cn1c6nc2ccccc21.c15ccc2c(c1)OCCO2.C4C5=O.S46 |
36492 | Cc1cccc(C(C)C)c1NC(=O)Cc1ccccc1 | [C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cccc4c13.c15ccccc1.C2(=O)C5.C4(C)C.N23 |
36493 | Cc1nc(NC(=O)CSc2nc3ccccc3o2)sc1C | [C][C][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][S][C][=Ring2][Ring1][Ring1][C] | c17nc2ccccc2o1.Cc1nc6sc1C.C4(=O)C5.N46.S57 |
36494 | Cc1nc(NC(=O)CSc2nc3ccccc3s2)sc1C | [C][C][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][S][C][=Ring2][Ring1][Ring1][C] | c17nc2ccccc2s1.Cc1nc6sc1C.C4(=O)C5.N46.S57 |
36495 | Cc1nc(NC(=O)CSc2nc3ccccc3[nH]2)sc1C | [C][C][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][S][C][=Ring2][Ring1][Ring1][C] | c17nc2ccccc2[nH]1.Cc1nc6sc1C.C4(=O)C5.N46.S57 |
36496 | Cc1ccccc1NC(=O)Cn1cnc2sc(C)c(C)c2c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O][=O] | n15cnc2sc(C)c(C)c2c1=O.Cc1ccccc14.C3(=O)C5.N34 |
36497 | CCOC(=O)CSc1nnc2c(n1)[nH]c1ccc(C)cc12 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][O] | c16nnc2c(n1)[nH]c1ccc(C)cc12.C3(=O)C5.CC4.O34.S56 |
36498 | COc1ccc(C(=O)Nc2c(F)cccc2F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring1][P] | c15c(F)cccc1F.c14ccc6cc1.C36=O.CO4.N35 |
36499 | O=C(Nc1ccccn1)c1ccccc1Br | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc1Br.c13ccccn1.O=C24.N23 |
36500 | CCN(CC)C(=O)CCSc1ccc(C)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c16ccc(C)cc1.C2(=O)CC5.N234.CC3.C4C.S56 |
36502 | O=C(CSc1ccccc1)Nc1nc2c(s1)CCC2 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1] | c15nc2c(s1)CCC2.c16ccccc1.O=C3C4.S46.N35 |
36503 | CCNc1nc2c3ccccc3n(C(C)=O)c2s1 | [C][C][N][C][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=Ring1][N][S][Ring1][#C] | c15nc2c3ccccc3n(C(C)=O)c2s1.CC4.N45 |
36504 | O=C(CSc1nc2ccccc2o1)Nc1nc2c(s1)CCC2 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1] | c16nc2ccccc2o1.c15nc2c(s1)CCC2.O=C3C4.S46.N35 |
36505 | Cc1ccc(C(=O)CCC(=O)Nc2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.C5(=O)CCC3=O.c14ccccc1.N34 |
36506 | Cc1csc(NC(=O)c2ccccc2Br)n1 | [C][C][=C][S][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][Ring1][#C] | c15ccccc1Br.Cc1csc4n1.C35=O.N34 |
36507 | CC(=O)Nc1cccc(C(=O)OCc2ccc(F)cc2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][P] | c16cccc7c1.c18ccc(F)cc1.CC4=O.C37=O.N46.O35.C58 |
36508 | O=C(CNC(=O)c1cccs1)OCc1ccc(F)cc1 | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17ccc(F)cc1.c16cccs1.O=C2C5.C36=O.N35.O24.C47 |
36509 | O=C(CNC(=O)c1ccco1)OCc1ccc(F)cc1 | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17ccc(F)cc1.c16ccco1.O=C2C5.C36=O.N35.O24.C47 |
36510 | O=C(Cc1ccccc1)NCC(=O)OCc1ccc(F)cc1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17ccc(F)cc1.c16ccccc1.O=C3C6.C5C2=O.N35.O24.C47 |
36511 | CC(C)N(C(=O)c1cccc2ccccc12)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][C][C] | c16cccc2ccccc12.CC4C.N345.C36=O.C5(C)C |
36512 | COc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1][O][C] | c14ccc7cc15.c16c8cccc1C.C37=O.C8(C)C.CO4.N36.O5C |
36513 | COC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][Cl] | S4(=O)(=O)c1ccc(F)cc1.c16cc5ccc1Cl.C36=O.CO3.N45 |
36514 | COC(=O)c1cccc(NC(=O)CSc2ccccc2)c1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C] | c17cccc6c1C.c18ccccc1.C4(=O)C5.C37=O.CO3.N46.S58 |
36515 | Cc1ccc(S(=O)(=O)CCC(=O)OCc2ccc(F)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S(=O)(=O)CCC3=O)cc1.c15ccc(F)cc1.O34.C45 |
36516 | Cc1ccccc1NC(=O)COC(=O)c1ccccc1N | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N] | Cc1ccccc15.c16ccccc1N.C3(=O)C4.C26=O.N35.O24 |
36517 | COc1cccc(OC)c1C(=O)Nc1ccc(F)cc1F | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c13cccc4c16.c15ccc(F)cc1F.C26=O.CO3.O4C.N25 |
36518 | CCc1ccc(OCC(=O)NCc2ccncc2)cc1 | [C][C][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc5cc1.c18ccncc1.C4C3=O.CC7.O45.N36.C68 |
36520 | Cc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Ring1][#Branch2][=O][C][=C][Ring1][P][C] | n13c(C)cc(C)c(C#N)c1=O.Cc1ccc3cc1C |
36521 | O=C(CNC(=O)c1ccco1)OCc1ccccc1 | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccccc1.c16ccco1.O=C2C5.C36=O.N35.O24.C47 |
36522 | O=C(CNC(=O)c1cccs1)OCc1ccccc1Cl | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c17ccccc1Cl.c16cccs1.O=C2C5.C36=O.N35.O24.C47 |
36523 | CC(=O)Nc1ccc(C(=O)OCc2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc7cc1.c18ccccc1.CC4=O.C37=O.N46.O35.C58 |
36524 | O=C(CNC(=O)c1cccs1)OCc1ccccc1 | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccccc1.c16cccs1.O=C2C5.C36=O.N35.O24.C47 |
36525 | O=C(CNC(=O)c1ccc(Cl)cc1)OCc1ccccc1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc(Cl)cc1.c17ccccc1.O=C2C5.C36=O.N35.O24.C47 |
36526 | O=C(CNC(=O)c1ccc(Br)cc1)OCc1ccccc1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc(Br)cc1.c17ccccc1.O=C2C5.C36=O.N35.O24.C47 |
36527 | Cc1ccc(C(=O)NCC(=O)OCc2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc7cc1.c18ccccc1.C6C3=O.C47=O.N46.O35.C58 |
36530 | CC1CCCCN1C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC1CCCCN13.c14cn5nc16.c15ccccc1.c16ccccc1.C34=O |
36531 | CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 | [C][C][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2] | CC1CCN4CC1.c15cn6nc17.c16ccccc1.c17ccccc1.C45=O |
36532 | COC(=O)C1=C(C)NC(=O)NC1c1cc(OC)c(O)c(OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][O] | C2(=O)C1=C(C)NC(=O)NC15.c15cc3c(O)c4c1.CO2.O3C.O4C |
36533 | CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16c(F)cccc1F.c15ccccc1.CS4(=O)=O.C3C2=O.N345.N26 |
36534 | COC(=O)c1cc(NC(=O)c2ccc(OC)cc2)ccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][=C][Ring1][P][Cl] | c17cc6ccc1Cl.c18ccc5cc1.C37=O.C48=O.CO3.N46.O5C |
36535 | Cc1ccc(OCc2cn3c(C)cc(C)nc3n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=C][N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][C][Ring1][Branch2][=N][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c16cn2c(C)cc(C)nc2n1.Cc1ccc5cc1.O45.C46 |
36536 | Cc1cc(C)n2cc(CNc3ccc(Cl)cc3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][C][=C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][=C][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n2cc6nc2n1.c15ccc(Cl)cc1.C46.N45 |
36537 | CCOC(=O)c1c(-c2cccnc2)csc1NC(C)=O | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][C][=Ring1][O][N][C][Branch1][C][C][=O] | c17c8csc16.c18cccnc1.C37=O.C4(C)=O.CC5.O35.N46 |
36538 | COc1ccc(C2CC(c3ccco3)=Nc3ncnn32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=N][C][=N][N][Ring1][Branch1][Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][C] | c14ccc(C2CC(c3ccco3)=Nc3ncnn32)cc15.CO4.O5C |
36539 | CNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=Branch2] | S5(=O)(=O)c1ccc3c(C)c1.C2(=O)C4.N45C.CN2.O3C |
36540 | COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCC2)cc1C | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2][C] | c14ccc(S6(=O)=O)cc1C.C17CCCC1.C5C3=O.N56C.CO4.N37 |
36541 | Cc1cc(C)n(-c2nncn2NC(=O)c2cccc(Cl)c2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=N][N][=C][N][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=Ring2][Ring1][Branch1] | c14nncn1NC3=O.Cc1cc(C)n4n1.c13cccc(Cl)c1 |
36542 | NC(=O)CN1C(=O)C(O)(CC(=O)c2cccc(N)c2)c2ccccc21 | [N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | NC(=O)CN1C(=O)C(O)(CC3=O)c2ccccc21.c13cccc(N)c1 |
36543 | CC(C(=O)c1ccccc1)C1(O)C(=O)Nc2ccc(Cl)cc21 | [C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N] | CC(C3=O)C1(O)C(=O)Nc2ccc(Cl)cc21.c13ccccc1 |
36546 | C=CCN1C(=O)C(O)(CC(=O)c2cc(C)ccc2C)c2ccccc21 | [C][=C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | C=CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13cc(C)ccc1C |
36549 | COc1ccc(OC)c(C(=O)CC2(O)C(=O)N(C)c3ccccc32)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][=C][Ring2][Ring1][#Branch1] | C6(=O)CC1(O)C(=O)N(C)c2ccccc21.c14ccc5c6c1.CO4.O5C |
36551 | CCCN1C(=O)C(O)(CC(=O)c2ccccc2O)c2ccccc21 | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][#C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | CCCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccccc1O |
36552 | Cc1[nH]c2ccccc2c1C1(O)C(=O)Nc2ccccc21 | [C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | Cc1[nH]c2ccccc2c1C1(O)C(=O)Nc2ccccc21 |
36553 | O=C1Nc2ccc(Br)cc2C1(O)c1c[nH]c2ccccc12 | [O][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][Branch1][C][O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | O=C1Nc2ccc(Br)cc2C1(O)c1c[nH]c2ccccc12 |
36554 | Cc1ccc2c(c1)C(O)(CC(=O)c1ccc(C)o1)C(=O)N2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][P] | Cc1ccc2c(c1)C(O)(CC3=O)C(=O)N2.c13ccc(C)o1 |
36556 | Cc1ccc(C)c(C(=O)CC2(O)C(=O)N(C)c3ccccc32)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][=C][Ring2][Ring1][=Branch1] | C4(=O)CC1(O)C(=O)N(C)c2ccccc21.Cc1ccc(C)c4c1 |
36557 | Cc1ccc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)o1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][O][Ring2][Ring1][Ring2] | C4(=O)CC1(O)C(=O)N(C)c2ccccc21.Cc1ccc4o1 |
36558 | Cc1ccc2c(c1)C(O)(CC(=O)c1ccc3c(c1)OCCO3)C(=O)N2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1] | Cc1ccc2c(c1)C(O)(CC4=O)C(=O)N2.c14ccc2c(c1)OCCO2 |
36559 | CCCN1C(=O)C(O)(CC(=O)c2ccc(C)o2)c2ccccc21 | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | CCCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccc(C)o1 |
36560 | CCN1C(=O)C(O)(CC(=O)c2ccc(C)o2)c2ccccc21 | [C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccc(C)o1 |
36561 | CCN1C(=O)C(O)(CC(=O)c2cc(C)ccc2C)c2ccccc21 | [C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13cc(C)ccc1C |
36562 | CCOc1ccc(C(=O)CC2(O)C(=O)N(CC)c3ccccc32)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | C6(=O)CC1(O)C(=O)N(CC)c2ccccc21.c15ccc6cc1.CC4.O45 |
36563 | C=CCN1C(=O)C(O)(c2c(C)[nH]c3ccccc23)c2ccccc21 | [C][=C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][P][C][=C][Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | C=CCN1C(=O)C(O)(c2c(C)[nH]c3ccccc23)c2ccccc21 |
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