ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
43799 | CCOC(=O)c1cc2sccc2n1CC(=O)N1CCCCCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | c16cc2sccc2n17.N14CCCCCC1.C7C4=O.C36=O.CC5.O35 |
43800 | CCOC(=O)c1cc2sccc2n1CC(=O)Nc1cccc(F)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c17cc2sccc2n18.c16cccc(F)c1.C8C4=O.C37=O.CC5.O35.N46 |
43801 | CCOC(=O)c1cc2sccc2n1CC(=O)NC1CC1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] | c17cc2sccc2n18.C8C4=O.C37=O.C16CC1.CC5.O35.N46 |
43802 | CCOC(=O)c1cc2sccc2n1CC(=O)NC(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | c17cc2sccc2n18.C8C4=O.C37=O.C6(C)C.CC5.O35.N46 |
43803 | CCOC(=O)c1cc2sccc2n1CC(=O)NC(C)(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] | c17cc2sccc2n18.C8C4=O.C6(C)(C)C.C37=O.CC5.O35.N46 |
43805 | CCOC(=O)c1cc2sccc2n1CC(=O)C(C)(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] | c15cc2sccc2n16.C6C(=O)C(C)(C)C.C35=O.CC4.O34 |
43806 | CCOC(=O)c1cc2sccc2n1CC(=O)OC(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C] | c17cc2sccc2n18.C8C4=O.C37=O.C6(C)C.CC5.O35.O46 |
43807 | CCOC(=O)c1cc2sccc2n1CC(=O)NC1CCCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | c17cc2sccc2n18.C16CCCC1.C8C4=O.C37=O.CC5.O35.N46 |
43808 | CCOC(=O)c1cc2sccc2n1CC(=O)N(C(C)C)C(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C] | c18cc2sccc2n19.C9C4=O.C38=O.N467.C6(C)C.C7(C)C.CC5.O35 |
43810 | CCOC(=O)c1cc2sccc2n1CC(=O)N(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][Branch1][C][C][C] | c16cc2sccc2n17.C7C4=O.C36=O.N4(C)C.CC5.O35 |
43811 | CCOC(=O)c1cc2sc(C)cc2n1CC(=O)OC | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][Branch1][C][C][=C][C][=Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][O][C] | c16cc2sc(C)cc2n17.C7C4=O.C36=O.CC5.O35.O4C |
43812 | CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCCCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][Branch1][C][C][=C][C][=Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c16cc2sc(C)cc2n17.N14CCCCC1.C7C4=O.C36=O.CC5.O35 |
43813 | CCOC(=O)c1cc2sc(C)cc2n1CC(N)=O | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][Branch1][C][C][=C][C][=Ring1][=Branch1][N][Ring1][=Branch2][C][C][Branch1][C][N][=O] | c15cc2sc(C)cc2n16.C6C(N)=O.C35=O.CC4.O34 |
43814 | CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N(CC)CC | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][Branch1][C][C][=C][C][=Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C] | c18cc2sc(C)cc2n19.C9C4=O.C38=O.N467.CC5.O35.C6C.C7C |
43815 | CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][Branch1][C][C][=C][C][=Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | c16cc2sc(C)cc2n17.N14CCCC1.C7C4=O.C36=O.CC5.O35 |
43816 | CCOC(=O)c1cc2sc(C)cc2n1C(C)C(=O)OCC | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][Branch1][C][C][=C][C][=Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C] | c17cc2sc(C)cc2n18.C8(C)C4=O.C37=O.CC5.O35.O46.C6C |
43819 | CCOC(=O)c1cc2sc(C)cc2n1CC(=O)NC(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][Branch1][C][C][=C][C][=Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | c17cc2sc(C)cc2n18.C8C4=O.C37=O.C6(C)C.CC5.O35.N46 |
43820 | CCOC(=O)c1cc2sc(C)cc2n1CC(=O)NC(C)(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][Branch1][C][C][=C][C][=Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] | c17cc2sc(C)cc2n18.C8C4=O.C6(C)(C)C.C37=O.CC5.O35.N46 |
43821 | Cc1nc2c(cc1N)nc(C)n2Cc1cccc(Cl)c1 | [C][C][=N][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][N][N][=C][Branch1][C][C][N][Ring1][=Branch2][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | Cc1nc2c(cc1N)nc(C)n23.c14cccc(Cl)c1.C34 |
43822 | NC(=O)Cn1nnc(-c2cccc(NC(=O)C3CCC3)c2)n1 | [N][C][=Branch1][C][=O][C][N][N][=N][C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][=C][Ring1][=N][=N][Ring2][Ring1][C] | c18cccc5c1.n17nnc8n1.NC(=O)C7.C16CCC1.C46=O.N45 |
43823 | CNC(=O)CSc1nc(C)nc2sc(C)c(C)c12 | [C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][N][=Ring1][#Branch1] | c15nc(C)nc2sc(C)c(C)c12.C3(=O)C4.CN3.S45 |
43824 | Cc1nc(SCC(=O)NC(C)(C)C)c2c(C)c(C)sc2n1 | [C][C][=N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] | Cc1nc6c2c(C)c(C)sc2n1.C5C3=O.C4(C)(C)C.S56.N34 |
43825 | Cc1nc(SCC(=O)N2CCOCC2)c2c(C)c(C)sc2n1 | [C][C][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | Cc1nc5c2c(C)c(C)sc2n1.N13CCOCC1.C4C3=O.S45 |
43826 | Cc1sc2nc(C(C)C)nc(SCC(N)=O)c2c1C | [C][C][S][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=C][Ring1][=C][C][=Ring1][P][C] | Cc1sc2nc4nc5c2c1C.C3C(N)=O.C4(C)C.S35 |
43827 | CNC(=O)CSc1nc(C(C)C)nc2sc(C)c(C)c12 | [C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][=C][=Ring1][#Branch1] | c16nc5nc2sc(C)c(C)c12.C3(=O)C4.C5(C)C.CN3.S46 |
43828 | CCn1c(=O)c2c(nc(SCc3ccccn3)n2C)n(C)c1=O | [C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][=C][Branch1][O][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][=N][C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | n15c(=O)c2c(nc7n2C)n(C)c1=O.c16ccccn1.CC5.S47.C46 |
43829 | O=C(CSc1nnnn1C1CCCCC1)c1ccccc1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnnn14.C14CCCCC1.c13ccccc1.O=C3C2.S25 |
43830 | COc1ccc(C(=O)CSc2nnnn2C2CCCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c13ccc5cc1.c17nnnn16.C16CCCCC1.C5(=O)C4.CO3.S47 |
43831 | COc1cccc(C(=O)CSc2nnnn2C2CCCCC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | c13cccc5c1.c17nnnn16.C16CCCCC1.C5(=O)C4.CO3.S47 |
43832 | O=C(CSc1nnnn1C1CCCCC1)NCc1cccs1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][=C][C][=C][S][Ring1][Branch1] | c17nnnn16.C16CCCCC1.c15cccs1.O=C2C4.S47.N23.C35 |
43833 | O=C(CSc1nnnn1C1CCCCC1)NC1CCCCC1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] | c16nnnn15.C15CCCCC1.C14CCCCC1.O=C2C3.S36.N24 |
43834 | O=C(CSc1nnnn1C1CCCCC1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13ccc(F)cc1.c15nnnn14.C14CCCCC1.O=C3C2.S25 |
43835 | O=C(CSc1nnnn1C1CCCCC1)NCCc1ccccc1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnnn16.C16CCCCC1.c15ccccc1.O=C2C4.C3C5.S47.N23 |
43836 | CC(C)N(C(=O)CSc1nnnn1C1CCCCC1)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][C][C] | c17nnnn16.C16CCCCC1.C2(=O)C5.CC3C.N234.C4(C)C.S57 |
43837 | CC(C)(C)NC(=O)CSc1nnnn1C1CCCCC1 | [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][C][C][Ring1][=Branch1] | c16nnnn15.C15CCCCC1.CC3(C)C.C2(=O)C4.N23.S46 |
43838 | Cc1cccc(NC(=O)CSc2nnnn2C2CCCCC2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | Cc1cccc5n1.c17nnnn16.C16CCCCC1.C3(=O)C4.N35.S47 |
43839 | COc1ccccc1Nc1ncccc1C(=O)N1CCOCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c13ccccc15.c14ncccc16.N12CCOCC1.C26=O.CO3.N45 |
43840 | O=C(NC1CCCCC1)c1cccnc1NCc1ccccc1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cccnc14.C15CCCCC1.c17ccccc1.O=C26.N25.N34.C37 |
43841 | O=C(c1cccnc1Nc1ccccc1F)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][O][C][C][Ring1][=Branch1] | c15cccnc13.c14ccccc1F.N12CCOCC1.O=C25.N34 |
43842 | O=C(c1cccnc1Nc1ccccc1F)N1CCCCC1 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][C][C][Ring1][=Branch1] | c15cccnc13.c14ccccc1F.N12CCCCC1.O=C25.N34 |
43843 | CCOc1ccccc1Nc1ncccc1C(=O)N1CCOCC1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c14ccccc16.c15ncccc17.N12CCOCC1.C27=O.CC3.O34.N56 |
43844 | COc1ccc(-c2cc3nc(C)cc(N4CCCC(O)C4)n3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][C][=C][N][=C][Branch1][C][C][C][=C][Branch1][N][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][N][Ring1][=C][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c17cc2nc(C)cc6n2n1.c15ccc7cc1.N16CCCC(O)C1.CO5 |
43845 | Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(N(C)CCO)c1C | [C][C][=N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][N][C][Branch1][Branch2][N][Branch1][C][C][C][C][O][=C][Ring2][Ring1][Branch1][C] | Cc1nc2cc6nn2c5c1C.c16ccc(Cl)cc1.N45C.C4CO |
43846 | Cc1nc2cc(-c3cccc(Cl)c3)nn2c(N(C)CCO)c1C | [C][C][=N][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][N][Ring1][N][C][Branch1][Branch2][N][Branch1][C][C][C][C][O][=C][Ring2][Ring1][Branch1][C] | Cc1nc2cc6nn2c5c1C.c16cccc(Cl)c1.N45C.C4CO |
43847 | COc1ccc(Nc2ccc(C(=O)N3CCCCC3)cn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring1][=C][C][=C][Ring2][Ring1][Branch1] | c15ccc7cc1.c16ccc8cn1.N14CCCCC1.C48=O.CO5.N67 |
43848 | Cc1nc2cc(-c3cccs3)nn2c(N(C)CCO)c1C | [C][C][=N][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][N][Ring1][#Branch2][C][Branch1][Branch2][N][Branch1][C][C][C][C][O][=C][Ring2][Ring1][Ring1][C] | Cc1nc2cc6nn2c5c1C.c16cccs1.N45C.C4CO |
43849 | CCc1c(C)nc2cc(-c3cccs3)nn2c1N1CCC(O)CC1 | [C][C][C][C][Branch1][C][C][=N][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][N][Ring1][#Branch2][C][=Ring1][#C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1] | c15c(C)nc2cc6nn2c14.N14CCC(O)CC1.c16cccs1.CC5 |
43851 | Cc1ccccc1NC(=O)N1CCCC1C(=O)NCC(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C] | Cc1ccccc16.N13CCCC17.C5C(C)C.C23=O.C47=O.N26.N45 |
43852 | Cc1ccccc1NC(=O)N1CCCC1C(=O)NCc1cccs1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1] | Cc1ccccc16.N13CCCC17.c18cccs1.C23=O.C47=O.N26.N45.C58 |
43853 | Cc1cccc(NC(=O)N2CCCC2C(=O)NC2CCCC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][=Branch1] | Cc1cccc6c1.N14CCCC18.C17CCCC1.C34=O.C58=O.N36.N57 |
43854 | Cc1cccc(NC(=O)N2CCCC2C(=O)NCc2ccccc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch2] | Cc1cccc7c1.N14CCCC18.c19ccccc1.C34=O.C58=O.N37.N56.C69 |
43855 | Cc1cc(S(=O)(=O)NC2CC3CCC2C3)ccc1-n1cnnn1 | [C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][=C][C][=C][Ring1][P][N][C][=N][N][=N][Ring1][Branch1] | Cc1cc(S4(=O)=O)ccc16.C15CC2CCC1C2.n16cnnn1.N45 |
43856 | Cc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1-n1cnnn1 | [C][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][N][C][=N][N][=N][Ring1][Branch1] | Cc1cc(S4(=O)=O)ccc15.C3CC1=CCCCC1.n15cnnn1.N34 |
43857 | Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1-n1cnnn1 | [C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][S][N][C][=N][N][=N][Ring1][Branch1] | Cc1cc(S3(=O)=O)ccc15.C14CCCCC1.n15cnnn1.N34 |
43858 | O=C(NCCC1=CCCCC1)C1CCN(c2ncccn2)CC1 | [O][=C][Branch1][N][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | C4CC1=CCCCC1.C16CCN5CC1.c15ncccn1.O=C36.N34 |
43859 | Cc1cc(S(=O)(=O)NCc2cccs2)ccc1-n1cnnn1 | [C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][S][N][C][=N][N][=N][Ring1][Branch1] | Cc1cc(S4(=O)=O)ccc16.c15cccs1.n16cnnn1.N34.C35 |
43860 | COc1ccc(CNC(=O)C2CCCN(c3ncccn3)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | c15ccc9cc1.C18CCCN7C1.c17ncccn1.C48=O.CO5.C69.N46 |
43861 | Cc1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1-n1cnnn1 | [C][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][N][C][=N][N][=N][Ring1][Branch1] | Cc1cc(S4(=O)=O)ccc16.c15ccccc1.n16cnnn1.N34C.C35 |
43862 | O=C(NCc1ccc(F)cc1)C1CCCN(c2ncccn2)C1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | c17ccc(F)cc1.C16CCCN5C1.c15ncccn1.O=C36.N34.C47 |
43863 | COc1ccc(CNC(=O)C2CCN(c3ncccn3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | c15ccc9cc1.C18CCN7CC1.c17ncccn1.C48=O.CO5.C69.N46 |
43864 | O=C(NCc1ccccc1Cl)C1CCCN(c2ncccn2)C1 | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | c17ccccc1Cl.C16CCCN5C1.c15ncccn1.O=C36.N34.C47 |
43865 | O=C(NCCc1ccccc1)C1CCCN(c2ncccn2)C1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | C16CCCN5C1.c17ccccc1.c15ncccn1.O=C36.C4C7.N34 |
43866 | CCC1CCCCN1S(=O)(=O)c1ccc(-n2cnnn2)c(C)c1 | [C][C][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][N] | S3(=O)(=O)c1ccc5c(C)c1.C14CCCCN13.n15cnnn1.CC4 |
43867 | O=C(NCc1ccccc1)C1CCCN(c2ncccn2)C1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | C16CCCN5C1.c17ccccc1.c15ncccn1.O=C36.N34.C47 |
43868 | Cc1cc(S(=O)(=O)N2CCCC(C)C2)ccc1-n1cnnn1 | [C][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][N][C][=N][N][=N][Ring1][Branch1] | Cc1cc(S3(=O)=O)ccc14.N13CCCC(C)C1.n14cnnn1 |
43869 | Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1-n1cnnn1 | [C][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][N][C][=N][N][=N][Ring1][Branch1] | Cc1cc(S3(=O)=O)ccc14.N13CCC(C)CC1.n14cnnn1 |
43870 | O=C(CSc1ncccn1)NCCC1=CCCCC1 | [O][=C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1] | C3CC1=CCCCC1.c15ncccn1.O=C2C4.S45.N23 |
43871 | CC(C)(C)c1nc(SCC(=O)N2CCOCC2)c2ccccc2n1 | [C][C][Branch1][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][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | c15nc6c2ccccc2n1.N13CCOCC1.CC5(C)C.C4C3=O.S46 |
43872 | CN(C)C(=O)CSc1nc(Cc2ccccc2)nc2ccccc12 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c17nc5nc2ccccc12.c16ccccc1.C3(=O)C4.CN3C.S47.C56 |
43873 | CCCc1nc(SCC(=O)N2CCOCC2)c2ccccc2n1 | [C][C][C][C][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | c15nc6c2ccccc2n1.N13CCOCC1.C4C3=O.CCC5.S46 |
43874 | CCCc1nc(SCC(=O)NCc2ccco2)c2ccccc2n1 | [C][C][C][C][=N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | c16nc8c2ccccc2n1.c17ccco1.C5C3=O.CCC6.S58.N34.C47 |
43875 | CCCc1nc(SCC(=O)Nc2cc(C)on2)c2ccccc2n1 | [C][C][C][C][=N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | c16nc7c2ccccc2n1.c15cc(C)on1.C4C3=O.CCC6.S47.N35 |
43876 | CC(C)c1nc(SCC(N)=O)c2ccccc2n1 | [C][C][Branch1][C][C][C][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#C] | c14nc5c2ccccc2n1.C3C(N)=O.CC4C.S35 |
43877 | Cc1cc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)no1 | [C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][=N][O][Ring2][Ring1][#Branch1] | c18nc7nc2ccccc12.Cc1cc6no1.C4(=O)C5.C7(C)C.N46.S58 |
43878 | CC(C)NC(=O)CSc1nc(C(C)C)nc2ccccc12 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1] | c17nc6nc2ccccc12.C3(=O)C5.CC4C.C6(C)C.N34.S57 |
43879 | Cc1cccc(NC(=O)N2CCCC2C(=O)NCC(C)C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch1] | Cc1cccc7c1.N14CCCC18.C6C(C)C.C34=O.C58=O.N37.N56 |
43880 | CCC(C)(C)NC(=O)C1CCCN1C(=O)Nc1cccc(C)c1 | [C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c16cccc(C)c1.C17CCCN13.CCC5(C)C.C27=O.C34=O.N25.N46 |
43881 | Cc1cccc(NC(=O)N2CCCC2C(=O)NCc2cccs2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][#Branch1] | Cc1cccc7c1.N14CCCC18.c19cccs1.C34=O.C58=O.N37.N56.C69 |
43882 | Cc1cccc(NC(=O)N2CCCC2C(=O)NCc2ccco2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][#Branch1] | Cc1cccc7c1.N14CCCC18.c19ccco1.C34=O.C58=O.N37.N56.C69 |
43884 | Cc1cccc(NC(=O)N2CCCC2C(=O)NC(C)C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2] | Cc1cccc7c1.N14CCCC18.C34=O.C58=O.C6(C)C.N37.N56 |
43885 | Cc1cc(C)cc(NC(=O)N2CCCC2C(=O)NCc2ccco2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Branch2] | Cc1cc7cc(C)c1.N14CCCC18.c19ccco1.C34=O.C58=O.N37.N56.C69 |
43886 | CCc1ccccc1NC(=O)N1CCCC1C(=O)NC(C)(C)C | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] | c18ccccc16.N13CCCC17.C5(C)(C)C.C23=O.C47=O.CC8.N26.N45 |
43887 | CC(C)CNC(=O)C1CCCN1C(=O)Nc1ccccc1F | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16ccccc1F.C17CCCN13.CC(C)C5.C27=O.C34=O.N25.N46 |
43888 | O=C(NCc1ccco1)C1CCCN1C(=O)Nc1ccccc1F | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16ccccc1F.C17CCCN13.c18ccco1.O=C27.C34=O.N25.C58.N46 |
43889 | O=C(Nc1ccccc1)C1CCCN1C(=O)Nc1ccccc1F | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16ccccc1F.c15ccccc1.C17CCCN13.O=C27.C34=O.N25.N46 |
43890 | CC(C)NC(=O)C1CCCN1C(=O)Nc1ccccc1F | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16ccccc1F.C17CCCN13.CC5C.C27=O.C34=O.N25.N46 |
43891 | CC(C)CCNC(=O)C1CCCN1C(=O)Nc1cccc(F)c1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16cccc(F)c1.C17CCCN13.CC(C)CC5.C27=O.C34=O.N25.N46 |
43892 | O=C(NC1CCCCC1)C1CCCN1C(=O)Nc1cccc(F)c1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cccc(F)c1.C16CCCCC1.C17CCCN13.O=C27.C34=O.N26.N45 |
43893 | O=C(NCc1ccco1)C1CCCN1C(=O)Nc1cccc(F)c1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16cccc(F)c1.C17CCCN13.c18ccco1.O=C27.C34=O.N25.C58.N46 |
43894 | O=C(Nc1ccccc1)C1CCCN1C(=O)Nc1cccc(F)c1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16cccc(F)c1.c15ccccc1.C17CCCN13.O=C27.C34=O.N25.N46 |
43895 | CCOc1ccccc1NC(=O)N1CCCC1C(=O)NC(C)(C)C | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] | c16ccccc18.N13CCCC19.C7(C)(C)C.C23=O.C49=O.CC5.O56.N28.N47 |
43896 | CCOc1ccccc1NC(=O)N1CCCC1C(=O)NCC(C)C | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C] | c16ccccc18.N13CCCC19.C7C(C)C.C23=O.C49=O.CC5.O56.N28.N47 |
43897 | CCOc1ccccc1NC(=O)N1CCCC1C(=O)NC(C)C | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | c16ccccc18.N13CCCC19.C23=O.C49=O.C7(C)C.CC5.O56.N28.N47 |
43898 | CCOc1ccc(NC(=O)N2CCCC2C(=O)NC(C)(C)C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1] | c17ccc9cc1.N14CCCC1%10.C8(C)(C)C.C34=O.C5%10=O.CC6.O67.N39.N58 |
43899 | CCOc1ccc(NC(=O)N2CCCC2C(=O)NCC(C)C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1] | c17ccc9cc1.N14CCCC1%10.C8C(C)C.C34=O.C5%10=O.CC6.O67.N39.N58 |
43900 | CCOc1ccc(NC(=O)N2CCCC2C(=O)NC(C)C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] | c17ccc9cc1.N14CCCC1%10.C34=O.C5%10=O.C8(C)C.CC6.O67.N39.N58 |
43901 | CC(C)NC(=O)C1CCCN1C(=O)Nc1ccccc1C(F)(F)F | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c16ccccc18.C17CCCN13.C8(F)(F)F.CC5C.C27=O.C34=O.N25.N46 |
43902 | O=C(NC1CCCC1)C1CCCN1C(=O)Nc1ccccc1Cl | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.C17CCCN13.C16CCCC1.O=C27.C34=O.N26.N45 |
43903 | O=C(NCc1ccco1)C1CCCN1C(=O)Nc1ccccc1Cl | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c16ccccc1Cl.C17CCCN13.c18ccco1.O=C27.C34=O.N25.C58.N46 |
43904 | CC(C)NC(=O)C1CCCN1C(=O)Nc1ccccc1Cl | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c16ccccc1Cl.C17CCCN13.CC5C.C27=O.C34=O.N25.N46 |
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