ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
27736 | CC1CCCCN1C(=O)c1ccc(-n2cnnn2)cc1 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O] | CC1CCCCN13.c14ccc5cc1.n15cnnn1.C34=O |
27737 | O=C(NCc1ccco1)c1ccc(-n2cnnn2)cc1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c15ccc7cc1.c16ccco1.n17cnnn1.O=C35.N34.C46 |
27738 | N#Cc1ccc(CSc2nc(N)cc(N)n2)cc1 | [N][#C][C][=C][C][=C][Branch1][P][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][=C][Ring1][S] | N#Cc1ccc4cc1.c15nc(N)cc(N)n1.C34.S35 |
27739 | CCc1ccccc1NC(=O)CSc1nc(-c2cccnc2)n[nH]1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][NH1][Ring1][O] | c16ccccc15.c17nc8n[nH]1.c18cccnc1.C3(=O)C4.CC6.N35.S47 |
27740 | NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc7n14.c17cccnc1.c15ccccc1.NC(=O)C3.S36.C45 |
27741 | COc1ccc(Cl)cc1NCc1cc2cc(C)ccc2[nH]c1=O | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O] | c16cc2cc(C)ccc2[nH]c1=O.c13ccc(Cl)cc15.CO3.N45.C46 |
27742 | O=C(CSc1nnc(COc2ccccc2)o1)N1CCCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][S][C][=N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N][N][C][C][C][C][C][Ring1][=Branch1] | c18nnc7o1.c15ccccc1.N13CCCCC1.O=C3C6.S68.C47.O45 |
27743 | Cc1ccc(C(=O)CSc2nnc(COc3ccccc3)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.c19nnc8o1.c15ccccc1.C7(=O)C6.S69.C48.O45 |
27744 | O=C(CSc1nnc(COc2ccccc2)o1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][=Branch1][C][S][C][=N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc(F)cc1.c18nnc7o1.c14ccccc1.O=C6C5.S58.C37.O34 |
27745 | Cc1ccccc1OCc1nnc(SCC(=O)N2CCCCC2)o1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][O][Ring1][#C] | Cc1ccccc15.c17nnc8o1.N13CCCCC1.C6C3=O.O45.C47.S68 |
27746 | Cc1cccc(OCc2nnc(SCC(=O)N3CCCCC3)o2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][O][Ring1][#C][=C][Ring2][Ring1][#Branch1] | Cc1cccc6c1.c18nnc9o1.N14CCCCC1.C7C4=O.O56.C58.S79 |
27747 | Cc1cccc(OCc2nnc(SCC(=O)c3ccccc3)o2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C][=C][Ring2][Ring1][#Branch1] | Cc1cccc5c1.c18nnc9o1.c17ccccc1.C6C7=O.O45.C48.S69 |
27748 | CCc1ccc(OCc2nnc(SCC(N)=O)o2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][O][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | c17ccc4cc1.c16nnc8o1.C5C(N)=O.CC7.O34.C36.S58 |
27749 | COC(=O)CSc1nnc(COc2ccc(Cl)c(C)c2)o1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][P][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][O][Ring1][#C] | c15ccc(Cl)c(C)c1.c18nnc7o1.C3(=O)C6.CO3.S68.C47.O45 |
27750 | COC(=O)CSc1nnc(COc2cccc3ccccc23)o1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][Ring1][P] | c16cccc2ccccc12.c19nnc8o1.C4(=O)C7.CO4.S79.C58.O56 |
27751 | COC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][Ring1][P] | c16ccc2ccccc2c1.c19nnc8o1.C4(=O)C7.CO4.S79.C58.O56 |
27753 | Cc1cccc(C)c1NC(=O)CSc1ncc(C#N)c(N)n1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=N][Ring1][=Branch2] | c15ncc(C#N)c(N)n1.Cc1cccc(C)c14.C2(=O)C3.N24.S35 |
27754 | N#Cc1cnc(SCc2ccccc2Cl)nc1N | [N][#C][C][=C][N][=C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=C][Ring1][#C][N] | N#Cc1cnc5nc1N.c14ccccc1Cl.S35.C34 |
27755 | Cc1ccc(NC(=O)CSc2ncc(C#N)c(N)n2)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][Cl] | c16ncc(C#N)c(N)n1.Cc1ccc5cc1Cl.C3(=O)C4.N35.S46 |
27756 | COc1ccc(NC(=O)CSc2nnc(C)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c17nnc(C)n1C.C3(=O)C5.CO4.N36.S57 |
27757 | CC(=O)c1ccc(NC(=O)CSc2nnc(C)n2C)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | c16ccc5cc1.c17nnc(C)n1C.C3(=O)C4.CC6=O.N35.S47 |
27758 | Cc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1C | [C][C][=N][N][=C][Branch2][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][Ring2][Ring1][Ring2][C] | Cc1nnc7n1C.c15cccc6c1.C4C3=O.C6(F)(F)F.S47.N35 |
27761 | Cc1ccc(NC(=O)C(C)Sc2nnc(C)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.c16nnc(C)n1C.C3(=O)C4C.N35.S46 |
27762 | CCOC(=O)c1cccc(NC(=O)CSc2nnc(C)n2C)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c18cccc7c1.c19nnc(C)n1C.C4(=O)C6.C38=O.CC5.O35.N47.S69 |
27763 | Cc1ccc(NC(=O)CSc2nnc(C)n2C)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C][Cl] | Cc1ccc5cc1Cl.c16nnc(C)n1C.C3(=O)C4.N35.S46 |
27764 | Cc1cccc(C)c1NC(=O)C(C)Sc1nnc(C)n1C | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C] | Cc1cccc(C)c14.c15nnc(C)n1C.C2(=O)C3C.N24.S35 |
27765 | CCc1nnc(NC(=O)CSc2nnc(C)n2C)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][S][Ring1][P] | c17nnc(C)n1C.c16nnc5s1.C3(=O)C4.CC6.N35.S47 |
27766 | COC(=O)c1cccc(NC(=O)CSc2nnc(C)n2C)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17cccc6c1.c18nnc(C)n1C.C4(=O)C5.C37=O.CO3.N46.S58 |
27768 | Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C | [C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][P][C] | Cc1nnc6n1C.c15ccc(Cl)cc1.C4C3=O.S46.N35 |
27769 | Cc1cccc(NC(=O)CSc2nnc(C)n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1cccc5c1.c16nnc(C)n1C.C3(=O)C4.N35.S46 |
27770 | COc1ccccc1NC(=O)CSc1nnc(C)n1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C] | c13ccccc15.c16nnc(C)n1C.C2(=O)C4.CO3.N25.S46 |
27771 | Cc1nnc(SCC(=O)Nc2cccc3ccccc23)n1C | [C][C][=N][N][=C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][Ring2][Ring1][Ring2][C] | c16cccc2ccccc12.Cc1nnc7n1C.C5C4=O.S57.N46 |
27772 | Cc1nnc(SCC(N)=O)n1Cc1ccccc1 | [C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnc5n13.c14ccccc1.C2C(N)=O.S25.C34 |
27773 | Cc1nnc(SCC(=O)c2ccccc2)n1Cc1ccccc1 | [C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnc7n15.c14ccccc1.c16ccccc1.C3C4=O.S37.C56 |
27774 | CCOC(=O)CSc1nnc(-c2ccc(C)cc2)n1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][N][C] | c16nnc7n1C.c17ccc(C)cc1.C3(=O)C5.CC4.O34.S56 |
27775 | COC(=O)CSc1nnc(-c2ccc(C)cc2)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][N][C] | c15nnc6n1C.c16ccc(C)cc1.C3(=O)C4.CO3.S45 |
27776 | Cc1ccc(-c2nnc(SCC(=O)N3CCCCC3)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][Ring1][#C][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.c17nnc6n1C.N14CCCCC1.C5C4=O.S56 |
27777 | Cc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2C)cc1 | [C][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][O][Ring1][Branch1][N][Ring1][S][C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc9cc1.c19nnc8n1C.c17ccco1.C6C4=O.S68.N45.C57 |
27778 | CCn1c(COc2ccc(Cl)cc2)nnc1SCC(N)=O | [C][C][N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][C][C][Branch1][C][N][=O] | n16c7nnc18.c14ccc(Cl)cc1.C5C(N)=O.CC6.C37.O34.S58 |
27779 | CCn1c(COc2ccc(Cl)cc2)nnc1SC | [C][C][N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][C] | n15c6nnc17.c14ccc(Cl)cc1.CC5.C36.O34.S7C |
27780 | Cc1cccc2cc(CNc3ccc(F)cc3)c(=O)[nH]c12 | [C][C][=C][C][=C][C][C][=C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][Ring2][=Ring1][S] | Cc1cccc2cc6c(=O)[nH]c12.c15ccc(F)cc1.C46.N45 |
27781 | Cc1ccc(C)c2[nH]c(=O)c(C3NC(=O)c4ccccc4N3)cc12 | [C][C][=C][C][=C][Branch1][C][C][C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][=C][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][C] | Cc1ccc(C)c2[nH]c(=O)c5cc12.C15NC(=O)c2ccccc2N1 |
27782 | COc1ccc(-n2c(SCC(N)=O)nnc2-c2cccnc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c13ccc5cc1.n15c6nnc17.c17cccnc1.C4C(N)=O.CO3.S46 |
27783 | Cc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1ccc5cc1Cl.c16nc(N)cc(N)n1.C3(=O)C4.N35.S46 |
27785 | CCn1c(SCC(N)=O)nnc1-c1ccc(OC)cc1 | [C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | n14c5nnc16.c16ccc2cc1.C3C(N)=O.CC4.S35.O2C |
27786 | COc1cc(-c2nnc(SCC(N)=O)n2C)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c13cc8cc4c15.c18nnc7n1C.C6C(N)=O.CO3.S67.O4C.O5C |
27787 | Cc1ccc(-n2c(SCC(N)=O)nnc2-c2cccnc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc4cc1.n14c5nnc16.c16cccnc1.C3C(N)=O.S35 |
27788 | COc1ccc(OCc2nnc(SCC(N)=O)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][Ring2][Ring1][Ring1] | c14ccc5cc1.c17nnc8n1C.C6C(N)=O.CO4.O35.C37.S68 |
27789 | CCn1c(CNc2ccc(F)cc2)nnc1SCC(N)=O | [C][C][N][C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][C][C][Branch1][C][N][=O] | n16c7nnc18.c15ccc(F)cc1.C4C(N)=O.CC6.C37.N35.S48 |
27790 | Cn1c(CNc2ccc(F)cc2)nnc1SCC(N)=O | [C][N][C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][C][C][Branch1][C][N][=O] | Cn1c6nnc17.c15ccc(F)cc1.C4C(N)=O.C36.N35.S47 |
27791 | Cc1ccc(C)c2nc(SCC(=O)N3CCOCC3)c(C#N)cc12 | [C][C][=C][C][=C][Branch1][C][C][C][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][Ring1][C][#N][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][C] | Cc1ccc(C)c2nc6c(C#N)cc12.N14CCOCC1.C5C4=O.S56 |
27792 | Cc1cc(SCC(N)=O)nc(SCC(=O)c2ccccc2)n1 | [C][C][=C][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Cc1cc6nc7n1.c15ccccc1.C3C(N)=O.C4C5=O.S36.S47 |
27793 | NC(=O)CSc1nc(-c2ccccc2)nc2ccccc12 | [N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] | c14nc5nc2ccccc12.c15ccccc1.NC(=O)C3.S34 |
27794 | COC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][P][Ring1][#Branch1] | c15nc6nc2ccc(F)cc12.c16ccccc1.C3(=O)C4.CO3.S45 |
27795 | Cc1sc2nc(SCC(N)=O)n(C)c(=O)c2c1C | [C][C][S][C][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=N][C][=Ring1][S][C] | Cc1sc2nc4n(C)c(=O)c2c1C.C3C(N)=O.S34 |
27796 | Cc1sc2nc(SCC(=O)c3ccccc3)n(C)c(=O)c2c1C | [C][C][S][C][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C][=Ring2][Ring1][Branch1][C] | Cc1sc2nc6n(C)c(=O)c2c1C.c15ccccc1.C4C5=O.S46 |
27797 | O=C1NC(c2coc3ccc(Cl)cc3c2=O)Nc2ccccc21 | [O][=C][N][C][Branch2][Ring1][Ring1][C][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][O][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | c14coc2ccc(Cl)cc2c1=O.O=C1NC4Nc2ccccc21 |
27798 | NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][C][=C][O][Ring1][Branch1] | c16nnc7n14.c17ccncc1.c15ccco1.NC(=O)C3.S36.C45 |
27803 | Cc1cccc2cc(C#N)c(SCC(=O)Nc3nccs3)nc12 | [C][C][=C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C] | Cc1cccc2cc(C#N)c7nc12.c16nccs1.C5C4=O.S57.N46 |
27804 | Cc1cccc2cc(C#N)c(SCC(=O)NCc3ccco3)nc12 | [C][C][=C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1] | Cc1cccc2cc(C#N)c8nc12.c17ccco1.C6C4=O.S68.N45.C57 |
27805 | Cc1cccc2cc(C#N)c(SCC(=O)N3CCOCC3)nc12 | [C][C][=C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C] | Cc1cccc2cc(C#N)c6nc12.N14CCOCC1.C5C4=O.S56 |
27807 | Cc1cccc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc12 | [C][C][=C][C][=C][C][=C][C][C][Branch1][C][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][S][C][=Ring1][#C][N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1] | Cc1cccc2cc3c(N)c7sc3nc12.c18ccco1.C57=O.N56.C68 |
27812 | COc1ccc(-n2c(SCC(N)=O)nnc2-c2ccncc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c13ccc5cc1.n15c6nnc17.c17ccncc1.C4C(N)=O.CO3.S46 |
27813 | COc1ccc(NC(=O)CCC(=O)NCc2ccco2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | c15ccc7cc1.C3(=O)CCC4=O.c18ccco1.CO5.N37.N46.C68 |
27814 | O=C(CCC(=O)Nc1ccc(Cl)cc1)NCc1ccco1 | [O][=C][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][O][Ring1][Branch1] | O=C2CCC3=O.c15ccc(Cl)cc1.c16ccco1.N35.N24.C46 |
27815 | O=C(CSc1nnc(-c2cccs2)o1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c15nnc6o1.N13CCOCC1.c16cccs1.O=C3C4.S45 |
27816 | O=C(CSc1nnc(-c2cccs2)o1)NC1CCCCC1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1] | c16nnc7o1.C15CCCCC1.c17cccs1.O=C3C4.S46.N35 |
27818 | O=C(CSc1nnc(-c2cccs2)o1)NCc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnc8o1.c16ccccc1.c18cccs1.O=C3C5.S57.N34.C46 |
27819 | Cc1cccc(NC(=O)CSc2ncc(C#N)c(N)n2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=N][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c16ncc(C#N)c(N)n1.Cc1cccc5c1.C3(=O)C4.N35.S46 |
27820 | N#Cc1cnc(SCC(=O)NCc2ccccc2)nc1N | [N][#C][C][=C][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][C][N] | N#Cc1cnc7nc1N.c16ccccc1.C5C3=O.S57.N34.C46 |
27821 | Cc1ccc(NC(=O)CSc2ncc(C#N)c(N)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c16ncc(C#N)c(N)n1.Cc1ccc5cc1.C3(=O)C4.N35.S46 |
27823 | Cc1ccc(CSc2ncc(C#N)c(N)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][S][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=N][Ring1][=Branch2][C][=C][Ring1][P] | c15ncc(C#N)c(N)n1.Cc1ccc4cc1.C34.S35 |
27826 | Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc6cc1.n16c7nnc1C.c15ccccc1.C4C3=O.S47.N35 |
27827 | COc1ccc(-n2c(C)nnc2SCC(N)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][Branch1][C][N][=O][C][=C][Ring1][P] | c13ccc5cc1.n15c6nnc1C.C4C(N)=O.CO3.S46 |
27828 | COc1ccc2cc(C#N)c(N3CCCC3)nc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][Ring1][=N][=C][Ring1][P] | c14ccc2cc(C#N)c5nc2c1.N15CCCC1.CO4 |
27829 | Cc1cc2cc(C#N)c(N3CCOCC3)nc2cc1Cl | [C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][=C][C][=C][Ring2][Ring1][C][Cl] | Cc1cc2cc(C#N)c4nc2cc1Cl.N14CCOCC1 |
27830 | COc1ccc2cc(C#N)c(SCC(=O)N3CCCCC3)nc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2cc(C#N)c7nc2c1.N14CCCCC1.C6C4=O.CO5.S67 |
27831 | O=C(CSc1nnc(-c2ccccc2)o1)NCc1ccco1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17nnc8o1.c18ccccc1.c16ccco1.O=C3C5.S57.N34.C46 |
27834 | CCOC(=O)CSc1nnc(-c2ccc(F)cc2)o1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N] | c17ccc(F)cc1.c16nnc7o1.C3(=O)C5.CC4.O34.S56 |
27835 | CC(C)OC(=O)CSc1nnc(-c2ccc(F)cc2)o1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N] | c17ccc(F)cc1.c16nnc7o1.C3(=O)C5.CC4C.O34.S56 |
27838 | O=C(CSc1nnc(-c2ccc(F)cc2)o1)NCc1ccco1 | [O][=C][Branch2][Ring1][#Branch1][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N][N][C][C][=C][C][=C][O][Ring1][Branch1] | c18ccc(F)cc1.c17nnc8o1.c16ccco1.O=C3C5.S57.N34.C46 |
27839 | NC(=O)CSc1nnc(-c2ccccc2Cl)o1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][N] | c15ccccc1Cl.c14nnc5o1.NC(=O)C3.S34 |
27841 | O=C(CSc1nnc(-c2ccc(O)cc2)o1)NC1CCCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][Ring1][N][N][C][C][C][C][C][C][Ring1][=Branch1] | c17ccc(O)cc1.c16nnc7o1.C15CCCCC1.O=C3C4.S46.N35 |
27843 | COC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][Ring1][#C] | c18ccc4c5c1.c17nnc8o1.C3(=O)C6.CO3.S67.O4C.O5C |
27844 | COc1ccc(-c2nnc(SCC(N)=O)o2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][O][Ring1][#Branch2][C][=C][Ring1][S][O][C] | c13ccc7cc14.c17nnc6o1.C5C(N)=O.CO3.S56.O4C |
27847 | Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc5cc1.c16nnc7o1.c17cccnc1.C5(=O)C4.S46 |
27848 | O=C(CSc1nnc(-c2cccnc2)o1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(F)cc1.c15nnc6o1.c16cccnc1.O=C4C3.S35 |
27850 | CCOC(=O)CSc1nnc(-c2ccco2)o1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2] | c16nnc7o1.c17ccco1.C3(=O)C5.CC4.O34.S56 |
27851 | O=C(CSc1nnc(-c2ccco2)o1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c15nnc6o1.N13CCOCC1.c16ccco1.O=C3C4.S45 |
27852 | O=C(CSc1nnc(-c2ccco2)o1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(F)cc1.c15nnc6o1.c16ccco1.O=C4C3.S35 |
27855 | Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)o1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2] | Cc1cccc(C)c15.c16nnc7o1.c17ccco1.C3(=O)C4.N35.S46 |
27856 | Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)o2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C] | Cc1cccc6c1C.c17nnc8o1.c18ccco1.C4(=O)C5.N46.S57 |
27860 | COc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2] | c14ccccc16.c17nnc8o1.c18ccco1.C3(=O)C5.CO4.N36.S57 |
27861 | COc1cccc(NC(=O)CSc2nnc(-c3ccco3)o2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | c15cccc7c1.c18nnc9o1.c19ccco1.C4(=O)C6.CO5.N47.S68 |
27865 | CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2] | c16ccccc15.c17nnc8o1.c18ccco1.C3(=O)C4.CC6.N35.S47 |
27866 | O=C(CSc1nnc(-c2ccco2)o1)NCc1ccco1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17nnc8o1.c18ccco1.c16ccco1.O=C3C5.S57.N34.C46 |
27867 | COC(=O)CSc1nnc(-c2cccs2)o1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2] | c15nnc6o1.c16cccs1.C3(=O)C4.CO3.S45 |
27869 | Cc1cccc(-c2nnc(SCC(N)=O)n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][=C][Ring1][P] | Cc1cccc5c1.c15nnc4n1C.C3C(N)=O.S34 |
27871 | Cn1c(CNc2cccc(Cl)c2)nnc1SCC(N)=O | [C][N][C][Branch1][=C][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][C][C][Branch1][C][N][=O] | Cn1c6nnc17.c15cccc(Cl)c1.C4C(N)=O.C36.N35.S47 |
27872 | CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccccc1 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c6nnc17.N13CCCCC1.c17ccccc1.C4C3=O.CC5.S46 |
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