ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
37970 | Cc1ccc(C(=O)Nc2ccc(OCC(N)=O)cc2)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2][Cl] | Cc1ccc7cc1Cl.c16ccc5cc1.C4C(N)=O.C37=O.N36.O45 |
37975 | CN(C)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | S5(=O)(=O)c1ccc2ccccc2c1.C3(=O)C4.CN3C.N45C |
37977 | O=C(Oc1ccccc1Cl)C1CC(=O)N(c2ccc(F)cc2)C1 | [O][=C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N] | c14ccccc1Cl.C15CC(=O)N6C1.c16ccc(F)cc1.O=C35.O34 |
37978 | O=c1c2ccccc2ncn1CCOc1ccc(F)cc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#Branch2][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=c1c2ccccc2ncn15.c14ccc(F)cc1.C5C3.O34 |
37981 | Cc1cc(OCC(=O)N2CC(C)OC(C)C2)cc(C)c1Cl | [C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1cc5cc(C)c1Cl.N13CC(C)OC(C)C1.C4C3=O.O45 |
37982 | CC(=O)Nc1ccc(OCc2ccc(C(C)=O)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring1][P] | c16ccc5cc1.c18ccc7cc1.CC3=O.C7(C)=O.N36.O45.C48 |
37983 | O=c1c2ccccc2ncn1CCOc1ccccc1F | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=c1c2ccccc2ncn15.c14ccccc1F.C5C3.O34 |
37985 | COC(=O)COc1cccc(NC(=O)c2ccccc2F)c1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][S] | c16cccc7c1.c18ccccc1F.C3(=O)C5.C48=O.CO3.O56.N47 |
37986 | Cc1cc(Cl)ccc1OCC(=O)n1cnnc1N | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=N][N][=C][Ring1][Branch1][N] | C2C(=O)n1cnnc1N.Cc1cc(Cl)ccc13.O23 |
37987 | CCOc1cccc(NC(=O)C2CC(=O)N(C)C2)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][=C][Ring1][S] | c15cccc6c1.C17CC(=O)N(C)C1.C37=O.CC4.O45.N36 |
37988 | COc1ccc(C(C)=O)cc1COc1cccc2cccnc12 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2cccnc12.c14ccc6cc17.C6(C)=O.CO4.C37.O35 |
37989 | Cc1c(Cl)ccc2c1NC(=O)C2(O)CC(=O)c1ccco1 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Ring1][=Branch1][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Cc1c(Cl)ccc2c1NC(=O)C2(O)CC3=O.c13ccco1 |
37990 | COC(=O)Cc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 | [C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c18ccc5c6c1.c19ccc7cc1.C3(=O)C9.C48=O.CO3.N47.O5C.O6C |
37991 | CC1CN(C(=O)C(c2ccccc2)c2ccccc2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][=Branch1] | CC1CN3CC(C)O1.c14ccccc1.c15ccccc1.C3(=O)C45 |
37992 | O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)C1CCCO1 | [O][=C][Branch2][Ring1][=C][N][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][=C][Ring1][P][C][C][C][C][O][Ring1][Branch1] | c15cccc7c1.c17nnc8o1.c18ccccc1.C16CCCO1.O=C46.N45 |
37993 | COC(=O)COc1cccc(NC(=O)c2ccccc2Cl)c1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][S] | c16cccc7c1.c18ccccc1Cl.C3(=O)C5.C48=O.CO3.O56.N47 |
37994 | CC1CN(C(=O)COc2ccccc2Cl)CC(C)O1 | [C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Branch1][C][C][O][Ring2][Ring1][C] | CC1CN3CC(C)O1.c15ccccc1Cl.C3(=O)C4.O45 |
37995 | COc1ccc(C(=O)COc2ccc(NC(C)=O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c15ccc8cc1.c16ccc7cc1.C8(=O)C4.C3(C)=O.CO5.O46.N37 |
37996 | CCCC(=O)Nc1ccccc1NC(=O)c1c(OC)cccc1OC | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C] | c18c4cccc15.c16ccccc17.CCCC2=O.C38=O.N26.N37.O4C.O5C |
37997 | CCOC(=O)Cc1ccc(NC(=O)c2ccccc2F)cc1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][S] | c18ccc6cc1.c17ccccc1F.C3(=O)C8.C47=O.CC5.O35.N46 |
37998 | CCc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c17ccc(S6(=O)=O)cc1.c18ccc3c4c1.CC7.N56.C58.O3C.O4C |
37999 | O=C(CC1(O)C(=O)Nc2c(C(F)(F)F)cccc21)c1ccco1 | [O][=C][Branch2][Ring1][#C][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Ring1][#Branch2][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | O=C3CC1(O)C(=O)Nc2c4cccc21.c13ccco1.C4(F)(F)F |
38000 | CC(=O)c1ccc(NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring2] | C2(=O)CC(O)(C(F)(F)F)C(F)(F)F.c14ccc3cc1.CC4=O.N23 |
38001 | CCn1cc(Br)c(C(=O)Nc2cccc(F)c2)n1 | [C][C][N][C][=C][Branch1][C][Br][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring1][S] | n16cc(Br)c5n1.c14cccc(F)c1.C35=O.CC6.N34 |
38002 | CCn1cc(Br)c(C(=O)Nc2ccc(OC)cc2)n1 | [C][C][N][C][=C][Branch1][C][Br][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring1][P] | n17cc(Br)c6n1.c15ccc4cc1.C36=O.CC7.N35.O4C |
38003 | CCn1cc(Br)c(C(=O)Nc2ccc(C)cc2)n1 | [C][C][N][C][=C][Branch1][C][Br][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][S] | n16cc(Br)c5n1.c14ccc(C)cc1.C35=O.CC6.N34 |
38004 | CCn1cc(Br)c(C(=O)Nc2cccc(SC)c2)n1 | [C][C][N][C][=C][Branch1][C][Br][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][S][C][=C][Ring1][Branch2][=N][Ring1][P] | n16cc(Br)c5n1.c14cccc7c1.C35=O.CC6.N34.S7C |
38005 | CCn1cc(Br)c(C(=O)NC(C)c2ccccc2)n1 | [C][C][N][C][=C][Branch1][C][Br][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][P] | n16cc(Br)c5n1.c17ccccc1.C35=O.C47C.CC6.N34 |
38006 | Cn1ncc(Cl)c1C(=O)Nc1ccc(Cl)c(Cl)c1 | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c13ccc(Cl)c(Cl)c1.Cn1ncc(Cl)c14.C24=O.N23 |
38007 | CCOC(=O)c1ccc(NC(=O)c2c(Cl)cnn2C)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][N][Ring1][=Branch1][C][C][=C][Ring1][S] | c18ccc6cc1.c17c(Cl)cnn1C.C38=O.C47=O.CC5.O35.N46 |
38008 | Cn1nnnc1SCC(=O)Nc1ccc(C#N)cc1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] | c14ccc(C#N)cc1.Cn1nnnc15.C3C2=O.S35.N24 |
38009 | COc1cccc(NC(=O)CSc2nnnn2C)c1 | [C][O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][Ring1][P] | c14cccc6c1.c17nnnn1C.C3(=O)C5.CO4.N36.S57 |
38010 | Cn1nnnc1SCC(=O)Nc1ccccc1C(N)=O | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] | c14ccccc15.Cn1nnnc16.C3C2=O.C5(N)=O.S36.N24 |
38011 | Cn1nnnc1SCC(=O)Nc1ccc2ccccc2c1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2ccccc2c1.Cn1nnnc16.C4C3=O.S46.N35 |
38012 | CCSc1nc(C2CC2)cc(C(F)(F)F)c1C#N | [C][C][S][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N][C][#N] | c15nc6cc4c1C#N.C4(F)(F)F.C16CC1.CC3.S35 |
38014 | Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(C(N)=O)cc2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][#Branch1] | Cc1cc(C)c(C#N)c7n1.c15ccc6cc1.C4C3=O.C6(N)=O.S47.N35 |
38016 | N#Cc1sc2nc3c(c(-c4cccnc4)c2c1N)CCCC3 | [N][#C][C][S][C][=N][C][=C][Branch2][Ring1][Ring1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][N][C][=Ring1][#C][N][C][C][C][C][Ring1][S] | N#Cc1sc2nc3c(c5c2c1N)CCCC3.c15cccnc1 |
38017 | CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | C3(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(F)cc1F.CC4.O34 |
38018 | COC(=O)C(C#N)C(c1cccnc1)c1c(O)n[nH]c1C | [C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Branch1][C][O][=N][NH1][C][=Ring1][=Branch1][C] | C2(=O)C(C#N)C34.c14c(O)n[nH]c1C.c13cccnc1.CO2 |
38019 | N#Cc1cc2c(nc1SCc1ccncc1)CCC2 | [N][#C][C][=C][C][=C][Branch1][#C][N][=C][Ring1][=Branch1][S][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][#C] | N#Cc1cc2c(nc15)CCC2.c14ccncc1.S35.C34 |
38020 | Nc1cc(N)nc(SCc2ccccc2C(F)(F)F)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Ring1] | Nc1cc(N)nc6n1.c14ccccc15.C5(F)(F)F.S36.C34 |
38021 | O=C(N1CCCCC1)N1CCN(C(=O)N2CCOCC2)CC1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C] | N14CCN5CC1.N13CCCCC1.N16CCOCC1.O=C34.C56=O |
38022 | CN(C)S(=O)(=O)N1CCN(C(=O)N2CCCCC2)CC1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C] | CN(C)S(=O)(=O)N1CCN3CC1.N14CCCCC1.C34=O |
38023 | O=C(N(c1ccccc1)c1ccccc1)n1cncn1 | [O][=C][Branch2][Ring1][Ring2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=N][Ring1][Branch1] | O=C2n1cncn1.c13ccccc1.c14ccccc1.N234 |
38024 | O=S(=O)(N1CCCCC1)N1CCN(c2ccc(F)cc2)CC1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | O=S(=O)(N1CCCCC1)N1CCN3CC1.c13ccc(F)cc1 |
38025 | CCN(CC)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S7(=O)(=O)c1ccc(F)cc1.N14CCN7CC1.N356.C34=O.CC5.C6C |
38026 | O=C(Oc1cccc(Oc2ccccc2)c1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch1][O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1] | c15cccc6c1.c17ccccc1.N14CCOCC1.O=C34.O35.O67 |
38028 | Cc1cc2ncn(S(=O)(=O)N3CCCCC3)c2cc1C | [C][C][=C][C][N][=C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Ring1][=C][C][=C][Ring2][Ring1][C][C] | Cc1cc2ncn(S(=O)(=O)N3CCCCC3)c2cc1C |
38029 | O=S(=O)(N1CCOCC1)N1CCN(c2ccccc2F)CC1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] | O=S(=O)(N1CCOCC1)N1CCN3CC1.c13ccccc1F |
38030 | Cc1nc(C)n(CC(O)COc2ccc3c(c2)CCC3)n1 | [C][C][N][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][=Ring2][Ring1][Ring2] | c15ccc2c(c1)CCC2.Cc1nc(C)n6n1.C6C(O)C4.O45 |
38031 | CC(=O)c1c(C)nn(CC(O)COc2ccc3c(c2)CCC3)c1C | [C][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch2][Ring1][#Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=Ring2][Ring1][Ring2][C] | c15ccc2c(c1)CCC2.c16c(C)nn7c1C.C7C(O)C4.CC6=O.O45 |
38032 | CC(=O)Nc1ccc(OCC(O)Cn2nc(C)cc2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][Branch1][C][O][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | c16ccc5cc1.n17nc(C)cc1C.C4C(O)C7.CC3=O.N36.O45 |
38034 | CC(=O)Nc1ccc(OCC(O)Cn2nc(C)nc2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][Branch1][C][O][C][N][N][=C][Branch1][C][C][N][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | c16ccc5cc1.n17nc(C)nc1C.C4C(O)C7.CC3=O.N36.O45 |
38035 | O=C(c1ccccc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][#C] | N13CCN(S(=O)(=O)N2CCOCC2)CC1.c14ccccc1.O=C34 |
38036 | O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)on1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O] | c14ccc2c(c1)OCO2.c15cc6on1.c16ccccc1.O=C35.N34 |
38037 | O=C(Nc1cccnc1)c1cc(-c2ccccc2)on1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O] | c14cccnc1.c15cc6on1.c16ccccc1.O=C35.N34 |
38038 | Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O][=N][O][Ring2][Ring1][Ring1] | Cc1cc5no1.c16cc7on1.c17ccccc1.C46=O.N45 |
38039 | O=C(NCc1cccnc1)c1cc(-c2ccccc2)on1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O] | c16cccnc1.c15cc7on1.c17ccccc1.O=C35.N34.C46 |
38040 | O=C(NCc1ccco1)c1cc(-c2ccccc2)on1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O] | c15cc7on1.c17ccccc1.c16ccco1.O=C35.N34.C46 |
38041 | O=C(NCc1cccs1)c1cc(-c2ccccc2)on1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O] | c15cc7on1.c17ccccc1.c16cccs1.O=C35.N34.C46 |
38042 | O=C(NCc1ccccn1)c1cc(-c2ccccc2)on1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O] | c16ccccn1.c15cc7on1.c17ccccc1.O=C35.N34.C46 |
38043 | O=C(c1cc(-c2ccccc2)on1)N1CCC2(CC1)OCCO2 | [O][=C][Branch2][Ring1][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | N13CCC2(CC1)OCCO2.c14cc5on1.c15ccccc1.O=C34 |
38044 | CCOC(=O)C1CCCN(C(=O)c2cc(-c3ccccc3)on2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O][C][Ring2][Ring1][Ring1] | C18CCCN5C1.c17cc9on1.c19ccccc1.C48=O.C57=O.CC6.O46 |
38045 | Cc1ccc2cccc(Nc3nc(=O)c4cccnc4s3)c2n1 | [C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O][C][Ring2][Ring1][C][=N][Ring2][Ring1][=Branch1] | Cc1ccc2cccc6c2n1.c15nc(=O)c2cccnc2s1.N56 |
38046 | Cc1ccc(NC(=O)CSc2nncc3ccccc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c17nncc2ccccc12.Cc1ccc6cc1.C4(=O)C5.N46.S57 |
38047 | Cc1ccc(NC(=O)CSc2nnnn2C2CC3CCC2C3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc6cc1.C17CC2CCC1C2.c18nnnn17.C4(=O)C5.N46.S58 |
38048 | O=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccccc1F | [O][=C][C][Branch1][C][F][=C][N][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=c1c(F)cn5c(=O)n13.c14ccccc1F.C15CCCO1.C34 |
38049 | C=CCn1cnc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C | [C][=C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][S][C] | n13cnc2c1c(=O)n4c(=O)n2C.c15ccc(Cl)cc1.C=CC3.C45 |
38050 | CC(C)(C)C(=O)OCC1OC(n2cnc(C(N)=O)n2)C(O)C1O | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][O][C][Branch1][#C][N][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][Ring1][Branch2][C][Branch1][C][O][C][Ring1][=C][O] | C16OC7C(O)C1O.CC(C)(C)C3=O.n17cnc5n1.C5(N)=O.O34.C46 |
38051 | COc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1][O][C] | c15ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc16.CO5.O6C |
38052 | O=C1CC(c2cccs2)c2cc3c(cc2N1)OCCO3 | [O][=C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][N][Ring1][#C][O][C][C][O][Ring1][=Branch2] | O=C1CC(c2cccs2)c2cc3c(cc2N1)OCCO3 |
38054 | O=C1CC(c2ccc(F)cc2)c2cc3c(cc2N1)CCC3 | [O][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][N][Ring1][P][C][C][C][Ring1][Branch2] | O=C1CC(c2ccc(F)cc2)c2cc3c(cc2N1)CCC3 |
38055 | COc1cccc(C2CC(=O)Nc3cc4c(cc32)CCC4)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c15cccc(C2CC(=O)Nc3cc4c(cc32)CCC4)c1.CO5 |
38056 | COc1ccccc1C1CC(=O)Nc2cc3c(cc21)CCC3 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][C][C][C][Ring1][#Branch1] | c14ccccc1C1CC(=O)Nc2cc3c(cc21)CCC3.CO4 |
38058 | CS(=O)(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C] | c15ccc6cc1.N13CCOCC1.CS4(=O)=O.C36=O.N45 |
38060 | Cc1ccc(N(C(C)C(N)=O)S(C)(=O)=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][Branch1][#Branch2][C][Branch1][C][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][S][C] | Cc1ccc4cc1C.C2(C)C(N)=O.S3(C)(=O)=O.N234 |
38061 | Cc1cc(N(CC(N)=O)S(C)(=O)=O)ccc1Br | [C][C][=C][C][Branch2][Ring1][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#C][Br] | Cc1cc4ccc1Br.C2C(N)=O.S3(C)(=O)=O.N234 |
38062 | CS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc2c(c1)OCO2 | [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][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.N13CCCCC1.CS5(=O)=O.C4C3=O.N456 |
38063 | COc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 | [C][O][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] | c13ccccc15.c17ccc6cc1.S4(C)(=O)=O.C27=O.CO3.N25.N46 |
38064 | CN(C)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(F)c(Cl)c1.C2(=O)C3.S4(C)(=O)=O.CN2C.N345 |
38065 | COc1cccc(NC(=O)c2ccccc2SC)c1 | [C][O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Ring1][P] | c14cccc5c1.c16ccccc17.C36=O.CO4.N35.S7C |
38066 | CSc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c16ccc(S4(=O)=O)cc1.c15ccccc1.C35C.CS6.N34 |
38067 | CSc1ccccc1C(=O)NC(C)c1ccccc1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc14.c15ccccc1.C24=O.C35C.CS6.N23 |
38068 | CC(C(=O)N1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O | [C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][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.N12CCCC1.S4(C)(=O)=O.N345 |
38069 | COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c13ccc(S5(=O)=O)cc1.c16ccc(F)cc1.C4C(N)=O.N456.CO3 |
38071 | CCc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 | [C][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] | c17ccccc14.c16ccc5cc1.S3(C)(=O)=O.C26=O.CC7.N24.N35 |
38072 | Cc1cc(C)cc(N(C(C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 | [C][C][=C][C][Branch1][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][Ring2][Ring1][=Branch1] | Cc1cc6cc(C)c1.C4(C)C3=O.C17CCCC1.S5(C)(=O)=O.N456.N37 |
38075 | CC(C)NC(=O)Cn1cc(C(=O)C(C)(C)C)c2ccccc21 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] | n16cc5c2ccccc21.C5(=O)C(C)(C)C.C3(=O)C6.CC4C.N34 |
38076 | CC(C)(C)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c14cn5c2ccccc12.CC(C)(C)C4=O.N13CCOCC1.C5C3=O |
38077 | CC(C)(C)C(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c15cn6c2ccccc12.CC(C)(C)C5=O.c17ccco1.C6C3=O.N34.C47 |
38078 | COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCCCC1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c13ccc(C)cc1S5(=O)=O.N12CCCCC1.C4C2=O.N45C.CO3 |
38079 | COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCOCC1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c13ccc(C)cc1S5(=O)=O.N12CCOCC1.C4C2=O.N45C.CO3 |
38080 | CCN(CC(N)=O)S(=O)(=O)c1ccc(C)cc1 | [C][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(C)cc1.C3C(N)=O.N234.CC2 |
38082 | CCN(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1 | [C][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.C3C(N)=O.N234.CC2 |
38083 | CCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 | [C][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][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S5(=O)(=O)c1ccc(Cl)cc1.C16CCCC1.C4C2=O.N345.CC3.N26 |
38084 | CCN(CC(N)=O)S(=O)(=O)c1ccc2ccccc2c1 | [C][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | S5(=O)(=O)c1ccc2ccccc2c1.C4C(N)=O.N345.CC3 |
38085 | CS(=O)(=O)N(CC(N)=O)Cc1ccc(Cl)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.CS4(=O)=O.C2C(N)=O.N234.C35 |
38086 | CS(=O)(=O)N(CC(=O)NC1CCCC1)Cc1ccc(Cl)cc1 | [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][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c17ccc(Cl)cc1.C16CCCC1.CS5(=O)=O.C3C2=O.N345.N26.C47 |
38087 | CCn1cc(C(=O)OCc2ccc(F)cc2)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][#Branch1] | n16cc5c(=O)c2ccc(C)nc21.c17ccc(F)cc1.C35=O.CC6.O34.C47 |
38089 | CC(C)Oc1ccc(CNC(=O)c2ccco2)cc1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C] | c15ccc8cc1.c17ccco1.CC4C.C37=O.O45.C68.N36 |
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