ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
39672 | CC1CCCCN1C(=O)C1COc2ccccc2O1 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C14COc2ccccc2O1.CC1CCCCN13.C34=O |
39673 | CC1(C)Oc2ccc(NC(=O)C3COc4ccccc4O3)cc2O1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][#Branch1] | CC1(C)Oc2ccc6cc2O1.C17COc2ccccc2O1.C57=O.N56 |
39674 | CCNc1nc(SCC(=O)OC)nc(N2CCOCC2)n1 | [C][C][N][C][=N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | c16nc7nc8n1.N17CCOCC1.C5C3=O.CC4.N46.S58.O3C |
39675 | COC(=O)CSc1nc(N(C)C)nc(N2CCOCC2)n1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][#C] | c17nc5nc6n1.N16CCOCC1.C3(=O)C4.N5(C)C.CO3.S47 |
39676 | CCNc1nc(SC(C)C(=O)OC)nc(N2CCOCC2)n1 | [C][C][N][C][=N][C][Branch1][N][S][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | c16nc7nc8n1.N17CCOCC1.C5(C)C3=O.CC4.N46.S58.O3C |
39678 | O=C(Nc1c(F)cccc1F)C1COc2ccccc2O1 | [O][=C][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14c(F)cccc1F.O=C35.N34 |
39679 | CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)C1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1] | N12CCC6CC1.C15CCCCC1.CS4(=O)=O.C3C2=O.N345.C6(N)=O |
39681 | COCc1cc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1C#N | [C][O][C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][C][#N] | c17cc(C)n6c(=O)c1C#N.c15ccc(F)cc1.C6C3=O.CO4.C47.N35 |
39685 | COCc1cc(C)n(CC(=O)NC2CCCCC2)c(=O)c1C#N | [C][O][C][C][C][=C][Branch1][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C][#N] | c17cc(C)n6c(=O)c1C#N.C15CCCCC1.C6C3=O.CO4.C47.N35 |
39687 | CC1CC(C)CN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][O][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][C][Ring2][Ring1][Branch1] | S3(=O)(=O)c1ccc5cc1.CC1CC(C)CN3C1.S4(C)(=O)=O.N45 |
39688 | CCn1nc(C)c(NS(=O)(=O)c2ccccc2)c1C | [C][C][N][N][=C][Branch1][C][C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C] | S3(=O)(=O)c1ccccc1.n15nc(C)c4c1C.CC5.N34 |
39689 | CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S6(=O)(=O)c1ccc(F)cc1.C17CCN6CC1.N345.C37=O.CC4.C5C |
39690 | Cc1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | Cc1ccccc14.C15CCN3CC1.S3(C)(=O)=O.C25=O.N24 |
39691 | Cc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5c(C)c1.C16CCN4CC1.S4(C)(=O)=O.C36=O.N35 |
39692 | CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Cl)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][S] | N14CCC6CC1.c15ccccc1Cl.CS4(=O)=O.C36=O.N35 |
39693 | CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][Ring1][P] | S5(=O)(=O)c1ccc(C)c(C)c1.C16CCN5CC1.C36=O.CC4.O34 |
39694 | CCOc1cc(C)c(S(=O)(=O)NCc2ccccn2)cc1C | [C][C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C] | c14cc(C)c(S6(=O)=O)cc1C.c17ccccn1.CC3.O34.N56.C57 |
39695 | COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC(C)C1 | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | c12cc(C)c(Cl)cc1S3(=O)=O.N13CCCC(C)C1.CO2 |
39696 | COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC(C)CC1 | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] | c12cc(C)c(Cl)cc1S3(=O)=O.N13CCC(C)CC1.CO2 |
39697 | COc1ccc2oc(=O)c(C(=O)N3CCCCC3C)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c15ccc2oc(=O)c6cc2c1.N14CCCCC1C.C46=O.CO5 |
39698 | COc1ccccc1OCCn1c(C(C)O)nc2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][Branch1][=Branch1][C][Branch1][C][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | n16c7nc2ccccc21.c14ccccc15.C3C6.C7(C)O.CO4.O35 |
39699 | CC(=O)Nc1nc2ccccc2n1CCOc1ccccc1Cl | [C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c16nc2ccccc2n17.c15ccccc1Cl.CC3=O.C7C4.N36.O45 |
39700 | COCc1nc2ccccc2n1CCOc1ccccc1OC | [C][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c18nc2ccccc2n17.c15ccccc16.C7C4.CO3.C38.O45.O6C |
39702 | CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc2c(c1)OCO2.c16ccc8cc1.CC4=O.C58=O.N46.N57 |
39703 | COc1cc(C(=O)n2cncn2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][=N][C][=N][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][#C][O][C] | c13cc6cc4c15.C6(=O)n1cncn1.CO3.O4C.O5C |
39704 | CC(=O)Oc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc2c(c1)OCO2.c16ccc8cc1.CC4=O.C58=O.O46.N57 |
39705 | CCc1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][S][Ring2][Ring1][=Branch1] | C4(=O)C1c2ccccc2Oc2ccccc21.c16nnc5s1.CC6.N45 |
39707 | CCc1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][S][Ring2][Ring1][Ring2] | c16c8noc1C.c17nnc5s1.c18ccccc1.C46=O.CC7.N45 |
39708 | CCc1nnc(NC(=O)Cc2ccc(F)cc2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][S] | c16ccc(F)cc1.c15nnc4s1.C3(=O)C6.CC5.N34 |
39709 | O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)OCO2 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2c(c1)OCO2.c15ccc(F)cc1.O=C3C5.N34 |
39710 | CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][C] | c17ccc2c(c1)OCO2.c16cccc8c1.CC(C)C4=O.C58=O.N46.N57 |
39711 | CC(C)(C)NC(=O)CSc1nnnn1-c1ccc(F)c(Cl)c1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(F)c(Cl)c1.c16nnnn15.CC3(C)C.C2(=O)C4.N23.S46 |
39712 | COC(=O)c1cccc(N2C(=O)c3ccccc3S2(=O)=O)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][=C][Ring2][Ring1][C] | N16C(=O)c2ccccc2S1(=O)=O.c15cccc6c1.C45=O.CO4 |
39713 | O=C1c2ccccc2S(=O)(=O)N1c1ccc(F)cc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=C1c2ccccc2S(=O)(=O)N13.c13ccc(F)cc1 |
39714 | N#Cc1ccc(Cl)cc1N1C(=O)c2ccccc2S1(=O)=O | [N][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O] | N13C(=O)c2ccccc2S1(=O)=O.N#Cc1ccc(Cl)cc13 |
39715 | COc1ccc(N2C(=O)c3ccccc3S2(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][C] | N15C(=O)c2ccccc2S1(=O)=O.c14ccc5cc1.CO4 |
39716 | N#Cc1ccccc1N1C(=O)c2ccccc2S1(=O)=O | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O] | N13C(=O)c2ccccc2S1(=O)=O.N#Cc1ccccc13 |
39717 | COC(=O)c1ccc(Cl)c(NC(=O)C2COc3ccccc3O2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | C17COc2ccccc2O1.c18ccc(Cl)c6c1.C48=O.C57=O.CO4.N56 |
39718 | O=C(c1cccs1)N1CCN(C(=O)N2CCOCC2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C] | N13CCN4CC1.N15CCOCC1.c16cccs1.O=C36.C45=O |
39719 | CC1CCCC(NS(=O)(=O)c2cccs2)C1C | [C][C][C][C][C][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][#C][C] | CC1CCCC4C1C.S3(=O)(=O)c1cccs1.N34 |
39720 | CC(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][O] | c14ccccc15.N15CCN3CC1.C3(=O)C(C)C.CC2=O.N24 |
39722 | CCn1nnc(NC(=O)c2cccc3ccccc23)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][C] | c16cccc2ccccc12.n17nnc5n1.C46=O.CC7.N45 |
39723 | CCn1nnc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][#Branch2][=N][Ring2][Ring1][C] | c16cc(Cl)c4c(Cl)c1.n17nnc5n1.C36=O.CC7.N35.O4C |
39724 | COc1cccc(NC(=O)C2CC(=O)OC23CCCC3)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][Ring1] | C17CC(=O)OC12CCCC2.c15cccc6c1.C47=O.CO5.N46 |
39726 | O=C1CC(C(=O)Nc2ccc(Cl)cc2)C2(CCCC2)O1 | [O][=C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][Ring2][Ring1][Ring1] | O=C1CC5C2(CCCC2)O1.c14ccc(Cl)cc1.C35=O.N34 |
39727 | CCN(CC)C(=O)CSc1nnc(-c2cc(C)on2)o1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][O][Ring1][O] | c17nnc8o1.c18cc(C)on1.C3(=O)C6.N345.CC4.C5C.S67 |
39728 | Cc1cc(-c2nnc(SCC(=O)N3CCCC3)o2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][O][Ring1][=C][=N][O][Ring2][Ring1][Ring1] | Cc1cc7no1.c17nnc6o1.N14CCCC1.C5C4=O.S56 |
39729 | Cc1cc(-c2nnc(SCC(=O)N3CCCCCC3)o2)no1 | [C][C][=C][C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][O][Ring1][S][=N][O][Ring2][Ring1][Branch1] | N14CCCCCC1.Cc1cc7no1.c17nnc6o1.C5C4=O.S56 |
39730 | CCC1Sc2ccccc2N(CC(=O)NCc2ccco2)C1=O | [C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][Ring2][=O] | C15Sc2ccccc2N(CC3=O)C1=O.c16ccco1.CC5.N34.C46 |
39731 | CC(=O)c1ccc(NC2CC(O)C(O)CO2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][C][C][Branch1][C][O][C][Branch1][C][O][C][O][Ring1][Branch2][C][=C][Ring1][#C] | C14CC(O)C(O)CO1.c15ccc3cc1.CC5=O.N34 |
39732 | O=S(=O)(Nc1ccc(F)cc1F)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][=C][S][Ring1][Branch1] | O=S2(=O)c1cccs1.c13ccc(F)cc1F.N23 |
39733 | NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=C] | S3(=O)(=O)c1cccs1.C14CCN3CC1.NC4=O |
39734 | COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][#C][Cl] | c16cc5ccc1Cl.S4(=O)(=O)c1cccs1.C36=O.CO3.N45 |
39735 | Cn1nc(CC(=O)Nc2ccccc2F)c2ccccc2c1=O | [C][N][N][=C][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | Cn1nc5c2ccccc2c1=O.c14ccccc1F.C5C3=O.N34 |
39736 | COc1ccc(NC(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][Branch1] | c17ccc2c(c1)n(C)c(=O)n2C.c15ccc6cc1.C47=O.CO5.N46 |
39737 | COc1cc(NC(=O)c2cccs2)ccc1NC(C)=O | [C][O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][N][C][Branch1][C][C][=O] | c15cc6ccc17.c18cccs1.C38=O.C4(C)=O.CO5.N36.N47 |
39738 | Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccs1 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | Cc1nn6c(C)c14.c16ccccc1.c15cccs1.C35=O.N34 |
39739 | Cn1c(=O)n(C)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][#Branch1] | Cn1c(=O)n(C)c2cc7ccc21.c16ccc2c(c1)OCO2.C57=O.N56 |
39740 | Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccco3)cc2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=N][N][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc(S(=O)(=O)n2nc5cc2N)cc1.c16ccco1.C46=O.O45 |
39741 | C=CCn1c(Sc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n13c4nc2c1c(=O)[nH]c(=O)n2C.c15ccccc1.C=CC3.S45 |
39742 | C=CCn1c(Sc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n13c4nc2c1c(=O)[nH]c(=O)n2C.c15ccc(C)cc1.C=CC3.S45 |
39746 | Cn1cnnc1SCC(=O)Nc1cccc(Cl)c1Cl | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] | c14cccc(Cl)c1Cl.Cn1cnnc15.C3C2=O.S35.N24 |
39749 | CC(=O)Oc1ccc(-c2csc(Nc3cccc(C)n3)n2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][S][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c15ccc8cc1.c17cccc(C)n1.c18csc6n1.CC4=O.O45.N67 |
39750 | CC(=O)Nc1ccc(-c2csc(Nc3cccc(C)n3)n2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][S][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c17ccc8cc1.c16cccc(C)n1.c18csc5n1.CC4=O.N47.N56 |
39751 | CC(=O)Nc1cccc(-c2csc(Nc3ccccn3)n2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][=C][Ring2][Ring1][C] | c17cccc8c1.c18csc5n1.c16ccccn1.CC4=O.N47.N56 |
39752 | CC(=O)Nc1cccc(-c2csc(Nc3ncccc3C)n2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=C][S][C][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][=N][=C][Ring2][Ring1][Ring1] | c17cccc8c1.c16ncccc1C.c18csc5n1.CC4=O.N47.N56 |
39753 | CC(=O)Nc1cccc(-c2csc(Nc3cc(C)ccn3)n2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=C][S][C][Branch1][=N][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][=N][Ring1][=N][=C][Ring2][Ring1][Ring1] | c17cccc8c1.c16cc(C)ccn1.c18csc5n1.CC4=O.N47.N56 |
39754 | CC(=O)Nc1cccc(-c2csc(NCc3ccco3)n2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][N][=C][Ring2][Ring1][C] | c17cccc9c1.c19csc6n1.c18ccco1.CC4=O.N47.N56.C58 |
39755 | CC(=O)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O][C][=C][Ring2][Ring1][C] | c16ccc5cc1.c14nc7cs1.c17ccccn1.CC6=O.N45 |
39756 | Cc1ccc(Nc2nc(-c3cccnc3)cs2)nc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][N][=C][Ring2][Ring1][C] | Cc1ccc4nc1.c15nc6cs1.c16cccnc1.N45 |
39758 | COC(=O)c1cc(NC(=O)c2ccco2)ccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][=C][Cl] | c17cc5ccc1Cl.c16ccco1.C37=O.C46=O.CO3.N45 |
39759 | CCCC(C)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O | [C][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O] | N15C(=O)c2ccccc2S1(=O)=O.CCCC4C.C3(=O)C5.N34 |
39761 | CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccncc1.c16ccccc1.CS5(=O)=O.C3C2=O.N356.N24.C47 |
39763 | CC(C)N1CC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O | [C][C][Branch1][C][C][N][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][S][=O] | c14ccc(Cl)c(Cl)c1.N16CC5CC1=O.CC6C.C35=O.N34 |
39764 | Cc1cccc(C)c1NC(=O)C1CC(=O)N(C(C)C)C1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2] | Cc1cccc(C)c13.C14CC(=O)N5C1.C24=O.C5(C)C.N23 |
39765 | CCC(C)NC(=O)C1CC(=O)N(c2ccccc2F)C1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=N] | C15CC(=O)N6C1.c16ccccc1F.CCC4C.C35=O.N34 |
39766 | CCOc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c15ccc6cc1.C17CC(=O)N8C1.C37=O.C8(C)C.CC4.O45.N36 |
39767 | CCc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c17ccc4cc1.C15CC(=O)N6C1.C35=O.C6(C)C.CC7.N34 |
39769 | CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccco1 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | n16c7nnc18.c15nccs1.c18ccco1.C4C3=O.CC6.S47.N35 |
39770 | Cc1csc(NC(=O)CSc2nnc(-c3ccco3)n2C)n1 | [C][C][=C][S][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=N][Ring2][Ring1][Branch1] | c17nnc8n1C.Cc1csc6n1.c18ccco1.C4(=O)C5.N46.S57 |
39772 | CC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S] | c16ccc(Cl)c(S5(=O)=O)c1.N15CCOCC1.CC4C.C36=O.N34 |
39773 | O=C(NC1CC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S] | c16ccc(Cl)c(S4(=O)=O)c1.N14CCOCC1.O=C36.C15CC1.N35 |
39774 | CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S] | c15ccc(Cl)c(S4(=O)=O)c1.N14CCOCC1.CN3C.C35=O |
39775 | CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S] | c16ccc(Cl)c(S5(=O)=O)c1.N15CCOCC1.C36=O.CC4.N34 |
39776 | COC(=O)c1ccc(C)c(NS(=O)(=O)c2cccs2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][S] | c16ccc(C)c5c1.S4(=O)(=O)c1cccs1.C36=O.CO3.N45 |
39777 | CC(C)NC(=O)c1ccccc1NS(=O)(=O)c1cccs1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S4(=O)(=O)c1cccs1.c16ccccc15.CC3C.C26=O.N23.N45 |
39778 | COC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C] | c15ccc(S6(=O)=O)cc1C.N16CCCCC1.C3(=O)C4.CO3.O45 |
39779 | CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)cc3)sc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2nc6sc2c1.c18ccc(C)cc1.CC4=O.C58=O.N47.N56 |
39781 | CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3F)sc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2nc6sc2c1.c18ccccc1F.CC4=O.C58=O.N47.N56 |
39782 | CC(=O)Nc1ccc2nc(NC(=O)c3ccc(F)cc3)sc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2nc6sc2c1.c18ccc(F)cc1.CC4=O.C58=O.N47.N56 |
39784 | COC(=O)C1=C(C)NC(=O)NC1c1ccccc1OCC(N)=O | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][N][=O] | C2(=O)C1=C(C)NC(=O)NC15.c15ccccc14.C3C(N)=O.CO2.O34 |
39786 | COc1ccccc1Cn1c(=O)sc2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n14c(=O)sc2ccccc21.c13ccccc15.CO3.C45 |
39787 | COc1ccc(Cn2c(=O)sc3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring1][P][O][C] | n16c(=O)sc2ccccc21.c14ccc7cc15.CO4.C67.O5C |
39789 | CS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | S4(=O)(=O)c1ccccc1.N13CCN4C1.CS3(=O)=O |
39790 | O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)C1 | [O][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | S5(=O)(=O)c1ccccc1.N13CCOCC1.N14CCN5C1.O=C34 |
39791 | Cc1ccc(S(=O)(=O)N2CC(C)N(S(C)(=O)=O)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S3(=O)=O)cc1.N13CC(C)N4C1.S4(C)(=O)=O |
39793 | CCC(=O)N1CN(S(=O)(=O)c2ccc(C)cc2)CC1C | [C][C][C][=Branch1][C][=O][N][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C] | S4(=O)(=O)c1ccc(C)cc1.N13CN4CC1C.CCC3=O |
39796 | O=C1CN(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc2N1 | [O][=C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch1] | S4(=O)(=O)c1ccc2ccccc2c1.O=C1CN4c2ccccc2N1 |
39798 | COc1ccccc1OCC(=O)Nc1ccccn1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14ccccc15.c16ccccn1.C3C2=O.CO4.O35.N26 |
39799 | Cc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)N2CCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S(=O)(=O)N2C(=O)CCC24)cc1.N13CCCC1.C34=O |
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