ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1930174 | Cc1nnsc1C(=O)N1CC(c2nc(-c3ccco3)no2)C1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][Ring1][=C] | Cc1nnsc15.c17nc6no1.N14CC7C1.c16ccco1.C45=O |
1930175 | COc1cccc(CC(=O)N2CC(c3nc(-c4ccco4)no3)C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][Ring1][=C][=C][Ring2][Ring1][#Branch1] | c16cccc7c1.c19nc8no1.N15CC9C1.c18ccco1.C7C5=O.CO6 |
1930176 | CCCc1nnsc1C(=O)N1CC(c2nc(-c3ccco3)no2)C1 | [C][C][C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][Ring1][=C] | c16nnsc15.c18nc7no1.N14CC8C1.c17ccco1.CCC6.C45=O |
1930177 | Cc1noc(C)c1CC(=O)N1CC(c2nc(-c3ccco3)no2)C1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][Ring1][=C] | Cc1noc(C)c15.c17nc6no1.N14CC7C1.c16ccco1.C5C4=O |
1930178 | O=C(C1CC=CCC1)N1CC(c2nc(-c3ccco3)no2)C1 | [O][=C][Branch1][=Branch2][C][C][C][=C][C][C][Ring1][=Branch1][N][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][Ring1][=C] | C15CC=CCC1.c17nc6no1.N14CC7C1.c16ccco1.O=C45 |
1930179 | COc1cc2c(c3oc(=O)ccc13)C(C)(C)C(C)O2 | [C][O][C][=C][C][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][Ring1][O][=Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][O][Ring1][#C] | c14cc2c(c3oc(=O)ccc13)C(C)(C)C(C)O2.CO4 |
1930182 | O=C(NCC1(Sc2ccccc2)CCOCC1)c1ccccn1 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][=N][C][=C][C][=C][C][=N][Ring1][=Branch1] | C157CCOCC1.c18ccccc1.c16ccccn1.O=C36.N34.C47.S58 |
1930184 | Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.c16ccccc1O.C4C3=O.N45.N36 |
1930185 | Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C)cc2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S5(=O)=O)cc1.c16ccc(C)cc1C.C4C3=O.N45.N36 |
1930186 | O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)C1CCC1 | [O][=C][Branch2][Ring1][#C][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][=N][C][C][C][C][Ring1][Ring2] | c15nc2c(s1)CN4CC2.S4(=O)(=O)C1CC1.C16CCC1.O=C36.N35 |
1930187 | c1ccc(C2(c3cccnc3)OC3C4CCC(C4)C32)cc1 | [C][=C][C][=C][Branch2][Ring1][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | C156OC2C3CCC(C3)C21.c1ccc5cc1.c16cccnc1 |
1930188 | C=CCCC(=O)N1CCc2nc(NC(=O)c3ccsc3)sc2C1 | [C][=C][C][C][C][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][S][C][=Ring1][=N][C][Ring1][P] | N14CCc2nc6sc2C1.C=CCCC4=O.c17ccsc1.C57=O.N56 |
1930189 | CC(=O)N1CCc2nc(NC(=O)c3ccsc3)sc2C1 | [C][C][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][S][C][=Ring1][=N][C][Ring1][P] | N14CCc2nc6sc2C1.c17ccsc1.CC4=O.C57=O.N56 |
1930190 | CCCC(=O)N1CCc2nc(NC(=O)c3ccsc3)sc2C1 | [C][C][C][C][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][S][C][=Ring1][=N][C][Ring1][P] | N14CCc2nc6sc2C1.CCCC4=O.c17ccsc1.C57=O.N56 |
1930191 | CCC(=O)N1CCc2nc(NC(=O)c3ccsc3)sc2C1 | [C][C][C][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][S][C][=Ring1][=N][C][Ring1][P] | N14CCc2nc6sc2C1.c17ccsc1.CCC4=O.C57=O.N56 |
1930192 | CC(C)C(=O)N1CCc2nc(NC(=O)c3ccsc3)sc2C1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][S][C][=Ring1][=N][C][Ring1][P] | N14CCc2nc6sc2C1.CC(C)C4=O.c17ccsc1.C57=O.N56 |
1930196 | O=C(Nc1nc2c(s1)CN(C(=O)C1CC1)CC2)c1ccsc1 | [O][=C][Branch2][Ring1][N][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][N][C][C][=C][S][C][=Ring1][Branch1] | c15nc2c(s1)CN4CC2.c17ccsc1.O=C37.C46=O.C16CC1.N35 |
1930197 | NC(=O)CN1CCc2nc(NC(=O)c3ccsc3)sc2C1 | [N][C][=Branch1][C][=O][C][N][C][C][C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][S][C][=Ring1][=N][C][Ring1][P] | N15CCc2nc6sc2C1.c17ccsc1.NC(=O)C5.C47=O.N46 |
1930198 | CNC(=O)CN1CCc2nc(NC(=O)c3ccsc3)sc2C1 | [C][N][C][=Branch1][C][=O][C][N][C][C][C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][S][C][=Ring1][=N][C][Ring1][P] | N16CCc2nc7sc2C1.c18ccsc1.C4(=O)C6.C58=O.CN4.N57 |
1930200 | CS(=O)(=O)N1CCc2nc(NC(=O)c3ccsc3)sc2C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][S][C][=Ring1][=N][C][Ring1][P] | N15CCc2nc6sc2C1.c17ccsc1.CS5(=O)=O.C47=O.N46 |
1930201 | CCOC(=O)Oc1ccc(Cl)c2cccnc12 | [C][C][O][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c16ccc(Cl)c2cccnc12.C34=O.CC5.O35.O46 |
1930202 | OCC1(CO)COC(CCCCC2=NCCO2)=N1 | [O][C][C][Branch1][Ring1][C][O][C][O][C][Branch1][N][C][C][C][C][C][=N][C][C][O][Ring1][Branch1][=N][Ring1][S] | C134COC(CCCCC2=NCCO2)=N1.OC3.C4O |
1930203 | COc1ccc(-c2cnnn2-c2cc(OC)c3c(c2)OCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=C][N][=N][N][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c16cc5c2c(c1)OCO2.c14ccc7cc1.c17cnnn16.CO4.O5C |
1930206 | Nc1ccc(N2CCOCC2)cc1Sc1ccccc1 | [N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1ccc3cc14.N13CCOCC1.c15ccccc1.S45 |
1930207 | COc1ccc(-c2cn[nH]c2-c2cc(OC)c3c(c2)OCCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | c16cc5c2c(c1)OCCO2.c14ccc7cc1.c17cn[nH]c16.CO4.O5C |
1930208 | Cn1cc(C(O)CNC(=O)C2(c3cccs3)CC2)c2ccccc21 | [C][N][C][=C][Branch2][Ring1][=Branch2][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | Cn1cc7c2ccccc21.c18cccs1.C7(O)C5.C168CC1.C46=O.N45 |
1930209 | Cc1ccc(C(CNC(=O)c2cnccn2)OCCO)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][O][C][C][O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc8cc1.c17cnccn1.C48C6.C37=O.C5CO.N36.O45 |
1930210 | Cc1ccc(C(CNC(=O)c2cc3ccccc3o2)OCCO)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][O][C][C][O][C][=C][Ring2][Ring1][Branch2] | c18cc2ccccc2o1.Cc1ccc9cc1.C59C7.C48=O.C6CO.N47.O56 |
1930211 | Cc1ccc(C(CNC(=O)Nc2ccccc2)OCCO)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc9cc1.c18ccccc1.C59C7.C34=O.C6CO.N37.N48.O56 |
1930212 | Cc1ccc(C(CNC(=O)Nc2ccccc2C)OCCO)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][P][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][O][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc9cc1.c18ccccc1C.C59C7.C34=O.C6CO.N37.N48.O56 |
1930213 | Cc1ccc(C(CNC(=O)Nc2cccc(C)c2)OCCO)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][O][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc9cc1.c18cccc(C)c1.C59C7.C34=O.C6CO.N37.N48.O56 |
1930214 | Cc1ccc(NC(=O)NCC(OCCO)c2ccc(C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][Branch1][Branch1][O][C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc8cc1.c19ccc(C)cc1.C7C59.C34=O.C6CO.N38.N47.O56 |
1930215 | Cc1ccc(C(CNC(=O)Nc2ccc(F)cc2)OCCO)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][C][O][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc9cc1.c18ccc(F)cc1.C59C7.C34=O.C6CO.N37.N48.O56 |
1930216 | Cc1ccc(C(CNC(=O)Nc2ccccc2F)OCCO)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][P][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][C][C][O][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc9cc1.c18ccccc1F.C59C7.C34=O.C6CO.N37.N48.O56 |
1930220 | O=C(Cn1ncnn1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 | [O][=C][Branch1][=Branch2][C][N][N][=C][N][=N][Ring1][Branch1][N][C][C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][=Branch2][C][C][Ring1][#C] | N13CCC6CC1.c16nnc5o1.n14ncnn1.O=C3C4.C5(F)(F)F |
1930221 | O=C(C1CC1)N1CCCC(c2nnc(C(F)(F)F)o2)C1 | [O][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][=Branch2][C][Ring1][#C] | N13CCCC6C1.c16nnc5o1.C5(F)(F)F.O=C34.C14CC1 |
1930222 | O=C(c1cnccn1)N1CCCC(c2nnc(C(F)(F)F)o2)C1 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][=Branch2][C][Ring1][#C] | N13CCCC6C1.c14cnccn1.c16nnc5o1.C5(F)(F)F.O=C34 |
1930223 | O=C(C1CCC1)N1CCCC(c2nnc(C(F)(F)F)o2)C1 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][C][C][C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][=Branch2][C][Ring1][#C] | N13CCCC6C1.c16nnc5o1.C14CCC1.C5(F)(F)F.O=C34 |
1930224 | O=C(C1CC=CCC1)N1CCCC(c2nnc(C(F)(F)F)o2)C1 | [O][=C][Branch1][=Branch2][C][C][C][=C][C][C][Ring1][=Branch1][N][C][C][C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][=Branch2][C][Ring1][#C] | N13CCCC6C1.C14CC=CCC1.c16nnc5o1.C5(F)(F)F.O=C34 |
1930225 | Cc1cnc(C(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)cn1 | [C][C][=C][N][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][=Branch2][C][Ring1][#C][C][=N][Ring2][Ring1][#Branch1] | Cc1cnc5cn1.N14CCCC7C1.c17nnc6o1.C6(F)(F)F.C45=O |
1930226 | O=C(NC1CCCCC1)N1CCCC(c2nnc(C(F)(F)F)o2)C1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][=Branch2][C][Ring1][#C] | N14CCCC7C1.C15CCCCC1.c17nnc6o1.C6(F)(F)F.O=C34.N35 |
1930227 | Cn1c(C(F)(F)F)nn(CCNC(=O)C2CC=CCC2)c1=O | [C][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Branch1][S][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] | Cn1c7nn6c1=O.C15CC=CCC1.C7(F)(F)F.C6C4.C35=O.N34 |
1930228 | O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)C1CCC1 | [O][=C][Branch2][Ring1][N][N][C][C][N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=N][=O][C][C][C][C][Ring1][Ring2] | n16nc8n7c1=O.c18cccs1.C15CCC1.O=C35.C4C6.C17CC1.N34 |
1930229 | O=C(Cn1nc(-c2cccs2)n(C2CC2)c1=O)Nc1ccccc1 | [O][=C][Branch2][Ring1][#Branch2][C][N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=N][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15nc7n6c1=O.c14ccccc1.c17cccs1.O=C3C5.C16CC1.N34 |
1930230 | O=c1n(Cc2nc3ccccc3[nH]2)nc(-c2cccs2)n1C1CC1 | [O][=C][N][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring2][Ring1][Ring2][C][C][C][Ring1][Ring1] | c15nc2ccccc2[nH]1.O=c1n4nc7n16.c17cccs1.C16CC1.C45 |
1930232 | O=c1n(CCC2OCCO2)nc(C2CC2)n1-c1ccccc1 | [O][=C][N][Branch1][#Branch2][C][C][C][O][C][C][O][Ring1][Branch1][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1n3nc6n15.c15ccccc1.C14OCCO1.C3C4.C16CC1 |
1930233 | O=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)Nc1nccs1 | [O][=C][Branch2][Ring1][O][C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | n15nc7n6c1=O.c16ccccc1.c14nccs1.O=C3C5.C17CC1.N34 |
1930234 | CC1CCN(C(=O)Cn2nc(C3CC3)n(-c3ccccc3)c2=O)CC1 | [C][C][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=O][C][C][Ring2][Ring1][Branch2] | n15nc7n6c1=O.CC1CCN4CC1.c16ccccc1.C4(=O)C5.C17CC1 |
1930235 | C=CCCC(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][=C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N14CCC5CC1.C=CCCC4=O.c15nnc6o1.c16ccoc1 |
1930236 | CC(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N14CCC5CC1.c15nnc6o1.c16ccoc1.CC4=O |
1930237 | CCCC(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N14CCC5CC1.c15nnc6o1.CCCC4=O.c16ccoc1 |
1930238 | CCC(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N14CCC5CC1.c15nnc6o1.c16ccoc1.CCC4=O |
1930239 | CC(C)C(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N14CCC5CC1.c15nnc6o1.CC(C)C4=O.c16ccoc1 |
1930240 | CCCCC(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N14CCC5CC1.CCCCC4=O.c15nnc6o1.c16ccoc1 |
1930241 | CC(C)(C)C(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N14CCC5CC1.CC(C)(C)C4=O.c15nnc6o1.c16ccoc1 |
1930242 | CC(C)CC(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N14CCC5CC1.CC(C)CC4=O.c15nnc6o1.c16ccoc1 |
1930243 | CC(C)(C)CC(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | CC(C)(C)CC4=O.N14CCC5CC1.c15nnc6o1.c16ccoc1 |
1930244 | CCC(CC)C(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | CCC(CC)C4=O.N14CCC5CC1.c15nnc6o1.c16ccoc1 |
1930245 | CCCC(CCC)C(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | CCCC(CCC)C4=O.N14CCC5CC1.c15nnc6o1.c16ccoc1 |
1930246 | CCOC(=O)CCC(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | C4(=O)CCC5=O.N15CCC7CC1.c17nnc8o1.c18ccoc1.CC6.O46 |
1930247 | Cc1cc(C(=O)N2CCC(c3nnc(-c4ccoc4)o3)CC2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S][=C][Branch1][C][C][O][Ring2][Ring1][Branch2] | Cc1cc6c(C)o1.N15CCC7CC1.c17nnc8o1.c18ccoc1.C56=O |
1930248 | CC(C)(C)NC(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N15CCC7CC1.c17nnc8o1.c18ccoc1.CC6(C)C.C45=O.N46 |
1930249 | O=C(Nc1cccs1)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [O][=C][Branch1][=Branch2][N][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N15CCC7CC1.c17nnc8o1.c16cccs1.c18ccoc1.O=C45.N46 |
1930250 | CC(C)NC(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N15CCC7CC1.c17nnc8o1.c18ccoc1.CC6C.C45=O.N46 |
1930251 | CCNC(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N15CCC7CC1.c17nnc8o1.c18ccoc1.C45=O.CC6.N46 |
1930252 | COCCNC(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][O][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N15CCC8CC1.c18nnc9o1.c19ccoc1.C6C7.C45=O.CO6.N47 |
1930253 | CCCNC(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N15CCC7CC1.c17nnc8o1.c18ccoc1.CCC6.C45=O.N46 |
1930254 | CS(=O)(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N14CCC5CC1.c15nnc6o1.c16ccoc1.CS4(=O)=O |
1930255 | CCS(=O)(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N14CCC5CC1.c15nnc6o1.CCS4(=O)=O.c16ccoc1 |
1930256 | CCCS(=O)(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N14CCC5CC1.CCCS4(=O)=O.c15nnc6o1.c16ccoc1 |
1930257 | CN(C)S(=O)(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | CN(C)S(=O)(=O)N1CCC4CC1.c14nnc5o1.c15ccoc1 |
1930258 | CCCCS(=O)(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | CCCCS4(=O)=O.N14CCC5CC1.c15nnc6o1.c16ccoc1 |
1930259 | CC(C)S(=O)(=O)N1CCC(c2nnc(-c3ccoc3)o2)CC1 | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring1][S] | N14CCC5CC1.CC(C)S4(=O)=O.c15nnc6o1.c16ccoc1 |
1930260 | CC(C)(C)OC(=O)N1CCC2(CC(=O)c3cc4c(cc3O2)OCO4)C1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][O][Ring1][O][O][C][O][Ring1][Branch2][C][Ring2][Ring1][C] | N16CCC2(CC(=O)c3cc4c(cc3O2)OCO4)C1.CC7(C)C.C56=O.O57 |
1930261 | Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)no1 | [C][C][=C][C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=N][O][Ring2][Ring1][C] | N16CCN4CC1.Cc1cc6no1.C5(C)(C)C.C34=O.O35 |
1930262 | Cc1nc(-c2cccs2)sc1CNC(=O)C1CC1 | [C][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][C][=Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1] | Cc1nc7sc16.c17cccs1.C35=O.C15CC1.C46.N34 |
1930264 | Cn1nc(C(=O)NCC#Cc2ccccc2F)ccc1=O | [C][N][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][Ring2][Ring1][Ring1][=O] | C4C#Cc1ccccc1F.Cn1nc5ccc1=O.C35=O.N34 |
1930265 | O=C(NCC#Cc1ccccc1F)c1c[nH]c2ccccc12 | [O][=C][Branch1][=C][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | C4C#Cc1ccccc1F.c15c[nH]c2ccccc12.O=C35.N34 |
1930266 | Cc1cc(C(=O)NCC#Cc2ccccc2F)no1 | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][O][Ring2][Ring1][C] | C4C#Cc1ccccc1F.Cc1cc5no1.C35=O.N34 |
1930267 | O=C(CCC(=O)c1ccccc1)NCC#Cc1ccc(F)cc1 | [O][=C][Branch1][#C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C3C#Cc1ccc(F)cc1.O=C2CCC4=O.c14ccccc1.N23 |
1930268 | Cn1nc(C(=O)NCC#Cc2ccc(F)cc2)ccc1=O | [C][N][N][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Ring2][Ring1][Ring1][=O] | C4C#Cc1ccc(F)cc1.Cn1nc5ccc1=O.C35=O.N34 |
1930269 | Cc1csc2ncc(C(=O)Nc3nnc(C(C)C)s3)c(=O)n12 | [C][C][=C][S][C][=N][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][Ring1][Branch2][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][Ring2][Ring1][C] | Cc1csc2ncc6c(=O)n12.c15nnc7s1.C46=O.C7(C)C.N45 |
1930270 | O=C(NCC#Cc1ccc(F)cc1)c1c[nH]c2ccccc12 | [O][=C][Branch1][S][N][C][C][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | C4C#Cc1ccc(F)cc1.c15c[nH]c2ccccc12.O=C35.N34 |
1930272 | Cc1cc(C(=O)NCC#Cc2ccc(F)cc2)no1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][Ring2][Ring1][C] | C4C#Cc1ccc(F)cc1.Cc1cc5no1.C35=O.N34 |
1930273 | Cn1nc(C(=O)NCC#Cc2cccc(Cl)c2)ccc1=O | [C][N][N][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][Ring2][Ring1][Ring1][=O] | C4C#Cc1cccc(Cl)c1.Cn1nc5ccc1=O.C35=O.N34 |
1930274 | O=C(Cn1nc2c(cc1=O)CCCC2)NCC1CCCO1 | [O][=C][Branch2][Ring1][Ring1][C][N][N][=C][C][=Branch1][=Branch1][=C][C][Ring1][=Branch1][=O][C][C][C][C][Ring1][=Branch2][N][C][C][C][C][C][O][Ring1][Branch1] | n15nc2c(cc1=O)CCCC2.C16CCCO1.O=C3C5.N34.C46 |
1930275 | c1ccc(CCc2nc3nccc(-c4ccsc4)n3n2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][C][N][=C][N][=C][C][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][Ring1][O][N][=Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | c15nc2nccc7n2n1.c1ccc6cc1.c17ccsc1.C6C5 |
1930276 | Cc1nc2ccccn2c1C(=O)NCC#Cc1cccc(Cl)c1 | [C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | Cc1nc2ccccn2c15.C4C#Cc1cccc(Cl)c1.C35=O.N34 |
1930277 | Cc1cc(C(=O)NCC#Cc2cccc(Cl)c2)no1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][O][Ring2][Ring1][C] | C4C#Cc1cccc(Cl)c1.Cc1cc5no1.C35=O.N34 |
1930278 | Cn1nc(C(=O)NCC#Cc2ccccc2Cl)ccc1=O | [C][N][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][Ring2][Ring1][Ring1][=O] | C4C#Cc1ccccc1Cl.Cn1nc5ccc1=O.C35=O.N34 |
1930279 | Cc1nc2ccccn2c1C(=O)NCC#Cc1ccccc1Cl | [C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | Cc1nc2ccccn2c15.C4C#Cc1ccccc1Cl.C35=O.N34 |
1930280 | Cc1cc(C(=O)NCC#Cc2ccccc2Cl)no1 | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][Ring2][Ring1][C] | C4C#Cc1ccccc1Cl.Cc1cc5no1.C35=O.N34 |
1930281 | O=C(Nc1ccc(F)cc1)C1CC(=O)N(c2n[nH]c3ccccc23)C1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][#C] | c17n[nH]c2ccccc12.c15ccc(F)cc1.C16CC(=O)N7C1.O=C46.N45 |
1930283 | O=C(Nc1ccccc1F)C1CC(=O)N(c2n[nH]c3ccccc23)C1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][#C] | c17n[nH]c2ccccc12.c15ccccc1F.C16CC(=O)N7C1.O=C46.N45 |
1930285 | COc1ccc(C#CCNC(=O)CCC(=O)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c14ccc(C#CC5)cc1.C3(=O)CCC6=O.c16ccccc1.CO4.N35 |
1930289 | O=C(Nc1ccccc1)C1CC(=O)N(c2n[nH]c3ccccc23)C1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][#C] | c17n[nH]c2ccccc12.C16CC(=O)N7C1.c15ccccc1.O=C46.N45 |
1930291 | Cc1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4ccccc34)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] | c18n[nH]c2ccccc12.Cc1ccc6cc1.C17CC(=O)N8C1.C57=O.N56 |
1930294 | Cc1ccccc1NC(=O)C1CC(=O)N(c2n[nH]c3ccccc23)C1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][#C] | c17n[nH]c2ccccc12.Cc1ccccc15.C16CC(=O)N7C1.C46=O.N45 |
1930295 | COc1ccc(C#CCNC(=O)c2ccc(=O)n(C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c14ccc(C#CC5)cc1.c16ccc(=O)n(C)n1.C36=O.CO4.N35 |
1930296 | Cn1cccc1CNC(=O)Cn1nc2c(cc1=O)CCCC2 | [C][N][C][=C][C][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][N][N][=C][C][=Branch1][=Branch1][=C][C][Ring1][=Branch1][=O][C][C][C][C][Ring1][=Branch2] | n15nc2c(cc1=O)CCCC2.Cn1cccc16.C3(=O)C5.C46.N34 |
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