ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
36806 | Nc1ccc(NC(=O)c2cccc(Cl)c2)c(Cl)c1 | [N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][P] | Nc1ccc4c(Cl)c1.c15cccc(Cl)c1.C35=O.N34 |
36810 | Nc1ccc(NC(=O)Cc2ccccc2)c(Cl)c1 | [N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][P] | Nc1ccc4c(Cl)c1.c15ccccc1.C3(=O)C5.N34 |
36811 | COc1cc(N)ccc1NC(=O)Cc1ccccc1 | [C][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cc(N)ccc14.c15ccccc1.C2(=O)C5.CO3.N24 |
36813 | COc1cc(N)ccc1NC(=O)c1cccc(Cl)c1 | [C][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c13cc(N)ccc14.c15cccc(Cl)c1.C25=O.CO3.N24 |
36814 | COc1cc(N)ccc1NC(=O)c1ccc(C)cc1 | [C][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c13cc(N)ccc14.c15ccc(C)cc1.C25=O.CO3.N24 |
36817 | CCC(=O)Nc1cccc(NC(=O)c2cccnc2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C] | c15cccc6c1.c17cccnc1.CCC3=O.C47=O.N35.N46 |
36818 | CCCC(=O)Nc1cccc(NC(=O)c2ccc(OC)cc2)c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring1][P] | c16cccc7c1.c18ccc5cc1.CCCC3=O.C48=O.N36.N47.O5C |
36819 | Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc9cc1.c16cccc7c1.c18ccco1.C49=O.C58=O.N46.N57 |
36820 | COc1cccc(-n2nc3cc(N)c(Cl)cc3n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][N][=C][C][=C][Branch1][C][N][C][Branch1][C][Cl][=C][C][Ring1][Branch2][=N][Ring1][O][=C][Ring1][P] | n15nc2cc(N)c(Cl)cc2n1.c14cccc5c1.CO4 |
36821 | Nc1cc2nn(-c3ccc(Br)cc3)nc2cc1Cl | [N][C][=C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=C][Ring1][N][C][=C][Ring1][S][Cl] | Nc1cc2nn4nc2cc1Cl.c14ccc(Br)cc1 |
36822 | OCc1ccc(-c2ccc(OC(F)(F)F)cc2)o1 | [O][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][O][Ring1][S] | c15ccc3cc1.c14ccc5o1.O3C(F)(F)F.OC4 |
36823 | Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 | [N][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring1][C] | c16cc2ccccc2o1.Nc1cccc5c1.C46=O.N45 |
36825 | COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CO)o2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1][=C][Ring1][P] | c15cc6cc8c1.c18ccc7o1.C35=O.C46=O.CO3.O4C.C7O |
36826 | Nc1c(Cl)cc2oc(-c3cccnc3)nc2c1Cl | [N][C][=C][Branch1][C][Cl][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][S][Cl] | Nc1c(Cl)cc2oc4nc2c1Cl.c14cccnc1 |
36827 | Nc1c(Cl)cc2oc(-c3ccncc3)nc2c1Cl | [N][C][=C][Branch1][C][Cl][C][=C][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][S][Cl] | Nc1c(Cl)cc2oc4nc2c1Cl.c14ccncc1 |
36828 | Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cccnc3)cc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C][=C][Ring2][Ring1][Branch2] | Cc1cccc8c1.c16ccc7cc1.c19cccnc1.C48=O.C59=O.N46.N57 |
36829 | O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccco1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | c17nc2ncccc2o1.c15ccc7cc1.c16ccco1.O=C46.N45 |
36830 | Cc1cccc(NC(=O)CSc2ccc(Cl)cc2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Cc1cccc5n1.c16ccc(Cl)cc1.C3(=O)C4.N35.S46 |
36831 | Cc1ccn(C(=O)COc2ccc(Cl)cc2C)n1 | [C][C][C][=C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][=Ring1][P] | Cc1ccn(C(=O)C3)n1.c14ccc(Cl)cc1C.O34 |
36832 | Cc1ccn(C(=O)CNc2cccc(Cl)c2C)n1 | [C][C][C][=C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][=Ring1][P] | Cc1ccn(C(=O)C3)n1.c14cccc(Cl)c1C.N34 |
36833 | COc1cc(NC(=O)CC(C)C)c(OC)cc1Cl | [C][O][C][=C][C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#C][Cl] | c13cc5c4cc1Cl.C2(=O)CC(C)C.CO3.N25.O4C |
36834 | CC(=O)Nc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c16ccc7cc1.c18ccc(Cl)cc1.C4(=O)C5.CC3=O.N36.N47.S58 |
36835 | O=C(Nc1nc(=O)c2cccnc2s1)c1ccccc1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nc(=O)c2cccnc2s1.c15ccccc1.O=C35.N34 |
36836 | Cc1cc(C)nc(NC(=O)CSc2ccc(Cl)cc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc(C)nc5n1.c16ccc(Cl)cc1.C3(=O)C4.N35.S46 |
36838 | COc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)C(C)C | [C][O][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][Ring1][S][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c15cc6ccc17.c18ccccc1F.C4(=O)C(C)C.C38=O.CO5.N36.N47 |
36839 | COC(=O)c1sc(NC(=O)c2cccnc2)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=Ring1][=C][C] | c16sc5nc1C.c17cccnc1.C36=O.C47=O.CO3.N45 |
36840 | CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c13cc5ccc14.N14CCOCC1.CCC2=O.C5(F)(F)F.N23 |
36841 | COc1ccc(NC(=O)c2cccnc2)cc1Br | [C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C][Br] | c14ccc5cc1Br.c16cccnc1.C36=O.CO4.N35 |
36842 | CCC(=O)Nc1ccc(OC)c(Br)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Br][=C][Ring1][=Branch2] | c14ccc3c(Br)c1.CCC2=O.N24.O3C |
36843 | CCCC(=O)Nc1ccc(OC)c(Br)c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Br][=C][Ring1][=Branch2] | c14ccc3c(Br)c1.CCCC2=O.N24.O3C |
36844 | COc1ccc(NC(=O)C(C)C)cc1Br | [C][O][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][Ring1][N][Br] | c13ccc4cc1Br.C2(=O)C(C)C.CO3.N24 |
36845 | COc1ccc(NC(=O)c2ccco2)cc1Br | [C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][Br] | c14ccc5cc1Br.c16ccco1.C36=O.CO4.N35 |
36846 | CCOC(=O)c1nc[nH]c1C(=O)NCc1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][N][=C][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nc[nH]c17.c18ccccc1.C26=O.C37=O.CC4.O24.N35.C58 |
36847 | CCn1ncc(C(C#N)c2nc3ccccc3n2C)c(Cl)c1=O | [C][C][N][N][=C][C][Branch2][Ring1][Ring2][C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][Branch1][C][Cl][C][Ring2][Ring1][Ring2][=O] | c15nc2ccccc2n1C.n14ncc6c(Cl)c1=O.C56C#N.CC4 |
36848 | Cc1cc(OC(C)C(=O)Nc2cccnc2)ccc1Cl | [C][C][=C][C][Branch2][Ring1][Ring1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][Cl] | Cc1cc5ccc1Cl.c16cccnc1.C4(C)C3=O.O45.N36 |
36849 | COC(=O)c1ccccc1NS(=O)(=O)c1cccc2cccnc12 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | S4(=O)(=O)c1cccc2cccnc12.c16ccccc15.C36=O.CO3.N45 |
36850 | CCc1ccc(S(=O)(=O)Nc2ccccn2)cc1 | [C][C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S] | c15ccc(S3(=O)=O)cc1.c14ccccn1.CC5.N34 |
36851 | CC(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 | [C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] | S3(=O)(=O)c1ccc4cc1.C4(C)(C)C.CC2C.N23 |
36852 | CC(C)CC(=O)Nc1ccc(NCc2cccnc2)cc1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c15ccc6cc1.CC(C)CC3=O.c17cccnc1.N35.N46.C47 |
36853 | COc1cc(CNc2ccccc2)ccc1OCC(N)=O | [C][O][C][=C][C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O][C][C][Branch1][C][N][=O] | c14cc8ccc15.c17ccccc1.C3C(N)=O.CO4.C68.N67.O35 |
36854 | COc1cc(CNc2ccc(C)cc2)ccc1OCC(N)=O | [C][O][C][=C][C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][O][C][C][Branch1][C][N][=O] | c14cc8ccc15.c17ccc(C)cc1.C3C(N)=O.CO4.C68.N67.O35 |
36855 | Clc1cccc(Cl)c1NCc1ccncc1 | [Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | Clc1cccc(Cl)c13.c14ccncc1.N23.C24 |
36856 | Clc1ccc(NCc2ccncc2)cc1Cl | [Cl][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][Cl] | Clc1ccc4cc1Cl.c15ccncc1.N34.C35 |
36857 | COc1cccc(CO)c1OCc1ccc(Cl)cc1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13cccc5c14.c16ccc(Cl)cc1.CO3.C5O.O24.C26 |
36858 | NC(=O)COc1c(Cl)cc(Cl)cc1CO | [N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][O] | c13c4cc(Cl)cc1Cl.NC(=O)C2.O23.C4O |
36859 | COc1cc(CO)ccc1OCc1ccc(F)cc1 | [C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13cc5ccc14.c16ccc(F)cc1.CO3.C5O.O24.C26 |
36860 | COc1cccc(CO)c1OCc1ccccc1Cl | [C][O][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c13cccc5c14.c16ccccc1Cl.CO3.C5O.O24.C26 |
36861 | CCOc1cccc(CO)c1OCC(=O)N1CCOCC1 | [C][C][O][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c15cccc7c16.N12CCOCC1.C4C2=O.CC3.O35.C7O.O46 |
36862 | COc1cc(CO)ccc1OCC(=O)N1CCOCC1 | [C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c14cc6ccc15.N12CCOCC1.C3C2=O.CO4.C6O.O35 |
36863 | CCOc1cc(CO)ccc1OCC(=O)N1CCOCC1 | [C][C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c15cc7ccc16.N12CCOCC1.C4C2=O.CC3.O35.C7O.O46 |
36864 | O=C(COc1ccc(CO)cc1)N1CCOCC1 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c14ccc5cc1.N12CCOCC1.O=C2C3.O34.C5O |
36865 | O=C(COc1ccc2ccccc2c1CO)N1CCCCC1 | [O][=C][Branch2][Ring1][Ring1][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][O][N][C][C][C][C][C][Ring1][=Branch1] | c15ccc2ccccc2c16.N13CCCCC1.O=C3C4.O45.C6O |
36866 | COc1ccc(Br)cc1CNn1cnnc1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][N][C][=N][N][=C][Ring1][Branch1] | c12ccc(Br)cc13.C3Nn1cnnc1.CO2 |
36867 | CCc1ccc(NCc2ccc(OCC(N)=O)cc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c17ccc6cc1.c18ccc4cc1.C3C(N)=O.CC7.N56.C58.O34 |
36868 | CCC(C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 | [C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2] | S4(=O)(=O)c1ccc2c(Cl)c1.CCC3C.N34.O2C |
36869 | COC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | S4(=O)(=O)c1ccc7cc1.c16ccc5cc1.C36=O.CO3.N45.S7C |
36870 | C=CCN(c1ccc(C(=O)Nc2ccc(C)cc2)cc1)S(C)(=O)=O | [C][=C][C][N][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][S][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc8cc1.c17ccc(C)cc1.S5(C)(=O)=O.C=CC4.N456.C38=O.N37 |
36871 | CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc3ccccc23)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c17cccc2ccccc12.c16ccc8cc1.CS5(=O)=O.C48=O.N56.N47 |
36872 | Cc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] | Cc1ccccc14.c16ccc5cc1.S3(C)(=O)=O.C26=O.N24.N35 |
36873 | CS(=O)(=O)Nc1ccccc1C(=O)N1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c14ccccc15.N12CCCCC1.CS3(=O)=O.C25=O.N34 |
36874 | CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | S5(=O)(=O)c1ccccc1.c17ccc6cc1.CC(C)C4.C37=O.N34.N56 |
36875 | COc1ccc(NC(=O)c2ccccc2NS(C)(=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][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring2] | c14ccc6cc1.c18ccccc17.S5(C)(=O)=O.C38=O.CO4.N36.N57 |
36876 | Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(C)C)ccc2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | S4(=O)(=O)c1cc6ccc1C.Cc1cccc5c1.C36=O.N3(C)C.N45 |
36877 | CNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc2c(c1)OCO2.C3(=O)C4.S5(C)(=O)=O.N456.CN3 |
36878 | CCc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c18ccc5cc1.c17ccc6cc1.S4(C)(=O)=O.C37=O.CC8.N35.N46 |
36879 | O=C(NC1CCCC1)c1ccccc1NS(=O)(=O)c1ccccc1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.c16ccccc14.C15CCCC1.O=C26.N25.N34 |
36880 | CC(C)(C)NC(=O)c1ccc(NS(C)(=O)=O)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] | c16ccc5cc1.CC3(C)C.S4(C)(=O)=O.C26=O.N23.N45 |
36881 | CN(C)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(Cl)cc1Cl.C2(=O)C3.S4(C)(=O)=O.CN2C.N345 |
36882 | CS(=O)(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C] | c15ccc6cc1.N13CCCCC1.CS4(=O)=O.C36=O.N45 |
36883 | CSc1ccc(S(=O)(=O)NC2CCCC2)cc1 | [C][S][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] | c15ccc(S3(=O)=O)cc1.C14CCCC1.CS5.N34 |
36884 | Cc1cc(C)cc(N(C(C)C(=O)N(C)C)S(C)(=O)=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Ring1] | Cc1cc5cc(C)c1.C3(C)C2=O.S4(C)(=O)=O.N345.N2(C)C |
36885 | COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl | [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][Cl] | c13ccc(S4(=O)=O)cc1Cl.C15CCCC1.CO3.N45 |
36886 | Cc1cc(C)cc(NC(=O)c2ccccc2NS(C)(=O)=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1] | Cc1cc5cc(C)c1.c17ccccc16.S4(C)(=O)=O.C37=O.N35.N46 |
36887 | Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc(S5(=O)=O)cc1.c16ccccc17.C4(C)(C)C.C37=O.N56.N34 |
36888 | CCN(CC)C(=O)c1ccc(NS(C)(=O)=O)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] | c17ccc6cc1.S5(C)(=O)=O.N234.C27=O.CC3.C4C.N56 |
36889 | Cc1ccc(N(C(C)C(=O)N2CCOCC2)S(C)(=O)=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][P][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1][C] | Cc1ccc6cc1C.N13CCOCC1.C4(C)C3=O.S5(C)(=O)=O.N456 |
36890 | CN(C)S(=O)(=O)N(CC(=O)N1CCCCC1)c1ccccc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | CN(C)S(=O)(=O)N34.N12CCCCC1.c14ccccc1.C3C2=O |
36891 | CS(=O)(=O)Nc1ccccc1C(=O)NC1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | c14ccccc16.C15CCCCC1.CS3(=O)=O.C26=O.N34.N25 |
36892 | COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][Cl] | c13ccc(S4(=O)=O)cc1Cl.c15ccccc1.CO3.N45 |
36893 | COc1ccc(NC(=O)c2ccccc2SC)cc1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][Ring1][P] | c14ccc5cc1.c16ccccc17.C36=O.CO4.N35.S7C |
36895 | CSc1ccccc1C(=O)Nc1c(C)cccc1C | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C] | c13c(C)cccc1C.c15ccccc14.C24=O.CS5.N23 |
36896 | CC(NC(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1 | [C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc15.c17ccccc1.S4(C)(=O)=O.CC37.C26=O.N23.N45 |
36897 | COc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c14ccc6cc1.c18ccc7cc1.S5(C)(=O)=O.C38=O.CO4.N36.N57 |
36898 | CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][S] | c15ccc7cc1.c16ccccc1Cl.CS4(=O)=O.C37=O.N45.N36 |
36899 | Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C)ccc2C)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][O][C][C][=C][Ring2][Ring1][=Branch1][C] | S4(=O)(=O)c1cc6ccc1C.Cc1ccc5cc1C.C36=O.N3(C)C.N45 |
36900 | CC(C)CC(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 | [C][C][Branch1][C][C][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.CC(C)CC2=O.C3(=O)C(C)C.N24 |
36901 | COc1cc(OC)cc(C(=O)Nc2ccc3oc(=O)ccc3c2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][=C][Ring1][O][=C][Ring2][Ring1][=Branch1] | c17ccc2oc(=O)ccc2c1.c15cc6cc8c1.C48=O.CO5.O6C.N47 |
36903 | COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1 | [C][O][C][=C][Branch1][C][C][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13c5cc(Br)cc1C.c16cccnc1.C25=O.CO3.N24.C46 |
36904 | Cc1cc(C)cc(N(C(C)C(=O)Nc2ccccc2)S(C)(=O)=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=C][N][Branch2][Ring1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][#Branch1] | Cc1cc6cc(C)c1.c17ccccc1.C4(C)C3=O.S5(C)(=O)=O.N456.N37 |
36905 | Cc1ccc(C)c(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch2][N][C][=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] | Cc1ccc(C)c5c1.c17ccc6cc1.S4(C)(=O)=O.C37=O.N35.N46 |
36906 | Cc1ccc(N(C(C)C(=O)N2CCCCC2)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][P][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc6cc1.N13CCCCC1.C4(C)C3=O.S5(C)(=O)=O.N456 |
36907 | CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | S5(=O)(=O)c1ccccc1.c17ccc6cc1.C37=O.CC4.N34.N56 |
36908 | C=CCN(c1ccc(C(=O)NC2CCCCC2)cc1)S(C)(=O)=O | [C][=C][C][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc8cc1.C17CCCCC1.S5(C)(=O)=O.C=CC4.N456.C38=O.N37 |
36909 | CN(C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(F)cc1.c15ccccc1.C2(=O)C3.CN2C.N345 |
36911 | CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc16.c17ccccc1.CS4(=O)=O.C26=O.N45.N23.C37 |
36913 | CS(=O)(=O)N(CC(N)=O)c1ccc(Cl)cc1Cl | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.CS3(=O)=O.C2C(N)=O.N234 |
36914 | CC(C(=O)N(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O | [C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(Cl)cc1.CC3C2=O.S4(C)(=O)=O.N2(C)C.N345 |
36915 | Cc1ccc(SCc2ccc(C(N)=O)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][S][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring1][P] | Cc1ccc6cc1.c15ccc4cc1.C4(N)=O.S36.C35 |
36916 | CC(C(N)=O)N(c1ccc(Cl)cc1)S(C)(=O)=O | [C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c14ccc(Cl)cc1.CC2C(N)=O.S3(C)(=O)=O.N234 |
36917 | CS(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N] | c15ccc6cc1.N13CCCC1.CS4(=O)=O.C36=O.N45 |
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