ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
30872 | CC(=O)c1cccc(NC(=O)CSc2nnc(C)s2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring1][P] | c16cccc5c1.c17nnc(C)s1.C3(=O)C4.CC6=O.N35.S47 |
30873 | O=S(=O)(Nc1cccnc1)c1cccc(F)c1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | O=S2(=O)c1cccc(F)c1.c13cccnc1.N23 |
30874 | CN(C)c1nc(Oc2ccc(=O)n(C)n2)nc(N2CCCCC2)n1 | [C][N][Branch1][C][C][C][=N][C][Branch1][S][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | c15nc3nc6n1.c14ccc(=O)n(C)n1.N16CCCCC1.CN5C.O34 |
30875 | O=S(=O)(NCc1ccco1)c1cccc(Cl)c1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | O=S3(=O)c1cccc(Cl)c1.c14ccco1.N23.C24 |
30876 | Cc1nnc(SCC(=O)NCCc2ccccc2)s1 | [C][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][C] | Cc1nnc7s1.c16ccccc1.C5C3=O.C4C6.S57.N34 |
30877 | O=S1(=O)C=C(Sc2nnc(-c3ccccc3)o2)c2ccccc21 | [O][=S][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | O=S1(=O)C=C(S4)c2ccccc21.c14nnc5o1.c15ccccc1 |
30878 | COc1cccc(S(=O)(=O)N2CCOCC2)c1 | [C][O][C][=C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][#C] | c13cccc(S4(=O)=O)c1.N14CCOCC1.CO3 |
30880 | Cc1ccc(-c2ccc(S(=O)(=O)NCc3ccccn3)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=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][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c17ccc(S5(=O)=O)cc1.Cc1ccc7cc1.c16ccccn1.N45.C46 |
30882 | Cc1cccc(S(=O)(=O)NCCc2ccccc2)c1 | [C][C][=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][Ring2][Ring1][C] | Cc1cccc(S4(=O)=O)c1.c15ccccc1.C3C5.N34 |
30883 | O=C(c1ccc(F)c(F)c1)N1CCc2ccccc2C1 | [O][=C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14ccc(F)c(F)c1.O=C34 |
30886 | CCOC(=O)C1=C(C)NC(=O)NC1c1cccs1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][S][Ring1][Branch1] | C2(=O)C1=C(C)NC(=O)NC14.c14cccs1.CC3.O23 |
30887 | CC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][P] | S3(=O)(=O)c1cccc(F)c1.c15ccc4cc1.CC5=O.N34 |
30888 | CCc1c(C)c2ccc(OCC(=O)OC)cc2oc1=O | [C][C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][O][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][N][O][C][Ring1][P][=O] | c16c(C)c2ccc5cc2oc1=O.C4C3=O.CC6.O45.O3C |
30889 | CCC(CC)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C] | c15ccc(S4(=O)=O)cc1.CCC(CC)C2=O.C3(C)(C)C.N25.N34 |
30890 | COc1cc(C(C)=O)ccc1OC(=O)N(C)c1ccccc1 | [C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc7ccc15.c16ccccc1.C7(C)=O.C23=O.N36C.CO4.O25 |
30891 | O=S(=O)(Nc1ccc(F)cc1)c1cccc(F)c1 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | O=S2(=O)c1cccc(F)c1.c13ccc(F)cc1.N23 |
30892 | CC(=O)c1ccc(NC(=O)Cc2ccc(C)cc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | c15ccc4cc1.c16ccc(C)cc1.C3(=O)C6.CC5=O.N34 |
30893 | O=S(=O)(Nc1ccc(Cl)cc1)c1ccccc1F | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=S2(=O)c1ccccc1F.c13ccc(Cl)cc1.N23 |
30895 | COCc1nnc(NC(=O)CCC2CCCCC2)s1 | [C][O][C][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][S] | c16nnc5s1.C17CCCCC1.C3(=O)CC7.CO4.C46.N35 |
30896 | O=C(c1c(F)cccc1F)N1CCc2ccccc2C1 | [O][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14c(F)cccc1F.O=C34 |
30897 | Cc1cc(OC(C)C(=O)NCc2cccnc2)ccc1Cl | [C][C][=C][C][Branch2][Ring1][Ring2][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1cc5ccc1Cl.c17cccnc1.C4(C)C3=O.O45.N36.C67 |
30899 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(O)c(OC)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] | C2(=O)C1=C(C)NC(=O)NC15.c15ccc(O)c4c1.CC3.O23.O4C |
30900 | CCC1CCCCN1C(=O)c1c(F)cccc1F | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c13c(F)cccc1F.C14CCCCN12.C23=O.CC4 |
30901 | CC(=O)c1cccc(NC(=O)CSc2ccccn2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][P] | c16cccc5c1.c17ccccn1.C3(=O)C4.CC6=O.N35.S47 |
30902 | CC(=O)Nc1ccc(Oc2ccc(-c3noc(C)n3)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1] | c17ccc5cc1.c16ccc8cc1.c18noc(C)n1.CC4=O.N47.O56 |
30903 | CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c18nc2ccccc2[nH]1.c17cccc6c1.C4(=O)C5.CC7=O.N46.S58 |
30904 | CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | S4(=O)(=O)c1ccc5cc1.c16ccc(F)cc1.CN4C.C36=O.N35 |
30906 | Cc1nnc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1 | [C][C][=N][N][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][S][Ring2][Ring1][#Branch1] | c18cccc7c1.Cc1nnc6s1.c19ccccc1.C48=O.C59=O.N46.N57 |
30907 | CS(=O)(=O)c1ccc(N2CCOCC2)c(S(C)(=O)=O)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][S] | CS(=O)(=O)c1ccc3c(S(C)(=O)=O)c1.N13CCOCC1 |
30909 | Cc1ccc(OCC(O)CN(C)C(=O)c2ccc(Cl)cc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][O][O][C][C][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc5c(C)c1.c17ccc(Cl)cc1.C4C(O)C6.N36C.C37=O.O45 |
30910 | COc1ccccc1CNC(=O)c1cccc(NC(=O)C(C)C)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][N] | c14ccccc18.c17cccc6c1.C3(=O)C(C)C.C27=O.CO4.C58.N25.N36 |
30911 | O=S(=O)(NCc1ccccn1)c1cccc(F)c1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | O=S3(=O)c1cccc(F)c1.c14ccccn1.N23.C24 |
30912 | CN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 | [C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.C15CCCC1.C3C2=O.CN34.N25 |
30913 | COc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C)oc2c1 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Branch1][C][C][O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c14ccc2c(=O)c7c(C)oc2c1.c17ccc5c6c1.CO4.O5C.O6C |
30914 | Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][P] | S3(=O)(=O)c1cccc(F)c1.Cc1ccc4cc1.N34 |
30915 | CCC(Sc1nncn1C)C(=O)Nc1ccccc1OC | [C][C][C][Branch1][#Branch2][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c15ccccc13.CCC4C2=O.c16nncn1C.S46.N25.O3C |
30916 | O=S(=O)(Nc1cccnc1)c1ccccc1F | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=S2(=O)c1ccccc1F.c13cccnc1.N23 |
30917 | CN(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1 | [C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S5(=O)(=O)c1ccccc1.c16ccncc1.C3C2=O.CN35.N24.C46 |
30918 | NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1 | [N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#C] | C14CCCN3C1.c15ccc(Cl)cc1.NC4=O.C35=O |
30919 | Cc1nnc(SCC(=O)NCc2ccco2)s1 | [C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][S][Ring1][S] | Cc1nnc7s1.c16ccco1.C5C3=O.S57.N34.C46 |
30920 | O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | n15c(=O)oc2ccccc21.c14ccc(Cl)cc1.O=C3C5.N34 |
30921 | Cc1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | Cc1cccc(S5(=O)=O)c1.c16ccc2c(c1)OCO2.N45.C46 |
30924 | O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccco1 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | N15C(=O)c2ccccc2S1(=O)=O.c16ccco1.O=C3C5.N34.C46 |
30925 | CCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc7cc1.c16cccnc1.CCC3=O.C47=O.N35.N46 |
30926 | CC(=O)Nc1ccc(NC(=O)Cc2ccc(C)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | c15ccc6cc1.c17ccc(C)cc1.C4(=O)C7.CC3=O.N35.N46 |
30927 | COC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 | [C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][=C] | c15ccc(Cl)c(Cl)c1.N14CCN5CC1.C34=O.CO3 |
30928 | COc1cccc(NS(=O)(=O)c2cccc(F)c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][P] | S4(=O)(=O)c1cccc(F)c1.c13cccc5c1.CO3.N45 |
30929 | C=CCn1c(SCCC(N)=O)nnc1-c1ccc(Cl)cc1 | [C][=C][C][N][C][Branch1][=Branch2][S][C][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | n13c4nnc15.c15ccc(Cl)cc1.C2CC(N)=O.C=CC3.S24 |
30931 | COc1cccc(NC(=O)Cc2ccc(C)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][P] | c14cccc5c1.c16ccc(C)cc1.C3(=O)C6.CO4.N35 |
30932 | CC(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][P] | S3(=O)(=O)c1cccc(Cl)c1.c15ccc4cc1.CC5=O.N34 |
30933 | CCC(=O)N(Cc1ccco1)CC1CCOC(C)(C)C1 | [C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2] | C16CCOC(C)(C)C1.c15ccco1.CCC2=O.N234.C35.C46 |
30934 | NC(=O)COC(=O)COc1ccc(Cl)cc1Cl | [N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c15ccc(Cl)cc1Cl.NC(=O)C3.C2(=O)C4.O23.O45 |
30935 | O=C(CSc1ncn(-c2ccccc2)n1)NC1CCCCC1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][N][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][N][C][C][C][C][C][C][Ring1][=Branch1] | c17ncn6n1.c16ccccc1.C15CCCCC1.O=C3C4.S47.N35 |
30937 | CCc1ccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Branch1] | c16sc(C)c(C)c17.c18ccc5cc1.C4C3=O.C7(N)=O.CC8.O45.N36 |
30938 | COc1cccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1] | c13cccc(S4(=O)=O)c1.c15ccc6cc1.C6(C)=O.CO3.N45 |
30939 | O=C(Nc1ccccc1N1CCCC1)c1ccccc1F | [O][=C][Branch1][P][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c13ccccc14.c15ccccc1F.N14CCCC1.O=C25.N23 |
30941 | Cc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c14ccc(S(N)(=O)=O)cc1.Cc1ccc5cc1.C5C3=O.N34 |
30942 | O=C(CCc1ccccc1)Nc1ccc(C(=O)N2CCCCC2)cc1 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C] | c15ccc6cc1.c17ccccc1.N14CCCCC1.O=C3CC7.C46=O.N35 |
30943 | Cc1ccc(CC(=O)Nc2ccc(Cl)cn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring1][P] | Cc1ccc5cc1.c14ccc(Cl)cn1.C5C3=O.N34 |
30944 | COc1ccccc1NC(=O)CSc1nncn1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C] | c13ccccc15.c16nncn1C.C2(=O)C4.CO3.N25.S46 |
30947 | CN(C)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][=C] | c15ccc(Cl)c(Cl)c1.N14CCN5CC1.CN3C.C34=O |
30948 | C=CCn1c(SCC(N)=O)nc2scc(-c3ccco3)c2c1=O | [C][=C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][S][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][#Branch2][C][Ring2][Ring1][Ring1][=O] | n15c6nc2scc7c2c1=O.c17ccco1.C4C(N)=O.C=CC5.S46 |
30949 | O=S(=O)(NCc1ccco1)c1c(F)cccc1F | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | O=S3(=O)c1c(F)cccc1F.c14ccco1.N23.C24 |
30951 | O=S(=O)(NCc1ccccn1)c1c(Cl)cccc1Cl | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | O=S3(=O)c1c(Cl)cccc1Cl.c14ccccn1.N23.C24 |
30952 | CCCN1C(=O)C(O)(CC(=O)c2ccc(OC)cc2)c2ccccc21 | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | CCCN1C(=O)C(O)(CC4=O)c2ccccc21.c14ccc3cc1.O3C |
30953 | Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)s1 | [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][S][Ring1][P] | c15ccc(Cl)cc1.Cc1nnc6s1.C4C3=O.S46.N35 |
30954 | Cc1cc(F)c(F)c(C(=O)NCC2CCCO2)c1Cl | [C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][Ring1][P][Cl] | Cc1cc(F)c(F)c5c1Cl.C16CCCO1.C35=O.N34.C46 |
30955 | CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1 | [C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.N12CCOCC1.C3C2=O.CN34 |
30956 | O=S(=O)(NCCc1ccccc1)c1cccc(F)c1 | [O][=S][=Branch1][C][=O][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | O=S3(=O)c1cccc(F)c1.c14ccccc1.C2C4.N23 |
30957 | Cc1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][P] | Cc1cccc(S3(=O)=O)c1.c14ccc(F)cc1.N34 |
30958 | CCN(CC)C(=O)CSc1nc2cc(C)ccc2[nH]1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2] | c17nc2cc(C)ccc2[nH]1.C3(=O)C6.N345.CC4.C5C.S67 |
30959 | COc1ccc(NS(=O)(=O)c2cccc(C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | S4(=O)(=O)c1cccc(C)c1.c13ccc5cc1.CO3.N45 |
30961 | CC(C)C(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring1][#C] | c15cccc6c1.N14CCCCCC1.CC(C)C3=O.C46=O.N35 |
30962 | COc1ccc(OCC(=O)N(C)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.c17ccccc1.C4C3=O.N37C.CO5.O46 |
30963 | CC(=O)Oc1ccc(NC(=O)CSc2ccccc2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc7cc1.c18ccccc1.C4(=O)C6.CC3=O.O35.N47.S68 |
30964 | Cc1cc(C)cc(OCC(=O)Nc2ncccn2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1cc5cc(C)c1.c16ncccn1.C4C3=O.O45.N36 |
30965 | CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccco2)c1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][S] | S5(=O)(=O)c1ccc(Cl)c6c1.c17ccco1.CN5C.C36=O.N34.C47 |
30966 | COC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | C2(=O)C1=C(C)N(C)C(=O)NC13.c13ccccc1C.CO2 |
30967 | COC(=O)C1=C(C)N(C)C(=O)NC1c1cccc(O)c1Cl | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Cl] | C2(=O)C1=C(C)N(C)C(=O)NC13.c13cccc(O)c1Cl.CO2 |
30968 | CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][N][Cl] | c14cc(S3(=O)=O)ccc1Cl.C24=O.N3(C)C.CN2 |
30970 | COc1ccc(-c2nc(-c3ccccn3)no2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c14ccc7c5c1.c17nc6no1.c16ccccn1.CO4.O5C |
30971 | CCOc1ccccc1-c1nc(-c2cccnc2)no1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O] | c14ccccc15.c15nc6no1.c16cccnc1.CC3.O34 |
30972 | CCOc1ccc(C(=O)Nc2cc(OC)cc(OC)c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c18cc6cc7c1.c15ccc9cc1.C39=O.CC4.O45.N38.O6C.O7C |
30973 | CCOc1ccccc1C1NC(=O)N(C)C(C)=C1C(=O)OC | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C] | C15NC(=O)N(C)C(C)=C1C2=O.c14ccccc15.CC3.O34.O2C |
30974 | O=C(OCc1ccc(Cl)c(Cl)c1)c1cnccn1 | [O][=C][Branch1][P][O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1] | c15ccc(Cl)c(Cl)c1.c14cnccn1.O=C24.O23.C35 |
30975 | Nc1nncn1C(=O)c1c(Cl)cccc1Cl | [N][C][=N][N][=C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | Nc1nncn1C2=O.c12c(Cl)cccc1Cl |
30976 | CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][Ring1][P] | c15ccc7cc1.N13CCC6CC1.C37=O.C6(N)=O.CC4.O45 |
30977 | CCOc1ccccc1-c1nc(-c2ccncc2)no1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | c14ccccc15.c15nc6no1.c16ccncc1.CC3.O34 |
30978 | CC(=O)Oc1ccccc1NC(=O)Cc1ccc(Cl)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccccc15.c16ccc(Cl)cc1.C3(=O)C6.CC2=O.O24.N35 |
30979 | CCOc1ccc(C(=O)Nc2ccccc2NC(C)=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][Ring1] | c16ccc9cc1.c17ccccc18.C39=O.C4(C)=O.CC5.O56.N37.N48 |
30981 | CCOc1ccccc1C(=O)Nc1ccccc1NC(C)=O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O] | c15ccccc18.c16ccccc17.C28=O.C3(C)=O.CC4.O45.N26.N37 |
30982 | CC(=O)Oc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 | [C][C][=Branch1][C][=O][O][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] | c15ccc7cc1.c18ccc(Cl)cc1.C4(=O)C6.CC3=O.O35.N47.S68 |
30984 | COc1ccc(-c2nc(-c3ccncc3)no2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c14ccc6c5c1.c16nc7no1.c17ccncc1.CO4.O5C |
30985 | Cc1ccc(S(=O)(=O)CCC(=O)OCc2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S(=O)(=O)CCC3=O)cc1.c15ccccc1.O34.C45 |
30986 | CCOC(=O)N1CCN(C(=O)COc2ccc(C)cc2C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C][Ring2][Ring1][C] | c18ccc(C)cc1C.N14CCN5CC1.C5(=O)C7.C34=O.CC6.O36.O78 |
30987 | CC1CCN(S(=O)(=O)c2cccc(C(=O)NC(C)C)c2)CC1 | [C][C][C][C][N][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][Ring1][N][C][C][Ring2][Ring1][Branch1] | S5(=O)(=O)c1cccc6c1.CC1CCN5CC1.C36=O.C4(C)C.N34 |
30989 | CNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][P] | c16ccc4c(S5(=O)=O)c1.N15CCOCC1.C36=O.CN3.O4C |
30990 | CC(=O)Oc1ccccc1NC(=O)CCc1ccccc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc15.c16ccccc1.C3(=O)CC6.CC2=O.O24.N35 |
30991 | COc1ccc(-c2nc(-c3cccnc3)no2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c14ccc6c5c1.c16nc7no1.c17cccnc1.CO4.O5C |
30992 | COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(O)c(Cl)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2] | C2(=O)C1=C(C)N(C)C(=O)NC13.c13ccc(O)c(Cl)c1.CO2 |
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