ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
23139 | CC1Cc2ccccc2N1C(=O)c1c(Cl)cnn1C | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][N][Ring1][=Branch1][C] | CC1Cc2ccccc2N13.c14c(Cl)cnn1C.C34=O |
23140 | CCC(C)c1ccc(NC(=O)c2cnn(C)c2)cc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc4cc1.c15cnn(C)c1.CCC6C.C35=O.N34 |
23141 | COc1cc(OC)cc(-c2nc(-c3cccnc3)no2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring1] | c14cc5cc6c1.c16nc7no1.c17cccnc1.CO4.O5C |
23142 | COc1cc(OC)cc(-c2nc(-c3ccncc3)no2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring1] | c14cc5cc6c1.c16nc7no1.c17ccncc1.CO4.O5C |
23143 | COc1cc(OC)cc(-c2nc(-c3ccccn3)no2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring1] | c14cc5cc7c1.c17nc6no1.c16ccccn1.CO4.O5C |
23144 | COc1ccc(CC(=O)Nc2ccc3c(c2)OCCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c16ccc2c(c1)OCCO2.c15ccc7cc1.C7C4=O.CO5.N46 |
23145 | COc1ccc(CC(=O)N2CCC(C(N)=O)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c14ccc6cc1.N13CCC5CC1.C6C3=O.C5(N)=O.CO4 |
23146 | Cn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)cn1 | [C][N][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][C][=N][Ring2][Ring1][C] | C16C2CC3CC(C2)CC1C3.Cn1cc7cn1.C57=O.N56 |
23147 | Cc1ccccc1OCc1nc(-c2ccccn2)no1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O] | Cc1ccccc14.c15nc6no1.c16ccccn1.O34.C35 |
23148 | Cc1cc(C)n(C(=O)Cn2nc(C(F)F)cc2C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][=C][Ring1][Branch2][C][N][=Ring2][Ring1][C] | Cc1cc(C)n(C(=O)C3)n1.n13nc4cc1C.C4(F)F |
23149 | Cc1nn(C)c(C(=O)Nc2ccc(Br)cn2)c1Cl | [C][C][=N][N][Branch1][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=C][Ring1][S][Cl] | Cc1nn(C)c5c1Cl.c14ccc(Br)cn1.C35=O.N34 |
23150 | Cn1nccc1C(=O)NC1C2CC3CC(C2)CC1C3 | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1] | C15C2CC3CC(C2)CC1C3.Cn1nccc16.C46=O.N45 |
23151 | Cn1ncc(Br)c1C(=O)NC1C2CC3CC(C2)CC1C3 | [C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1] | C15C2CC3CC(C2)CC1C3.Cn1ncc(Br)c16.C46=O.N45 |
23152 | Cc1nn(C)c(C(=O)N2CCc3ccccc32)c1Br | [C][C][=N][N][Branch1][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring1][P][Br] | N14CCc2ccccc21.Cc1nn(C)c5c1Br.C45=O |
23153 | Cc1cc(C)n(C(=O)c2nn(C)c(C)c2Cl)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][Cl][N][=Ring1][S] | Cc1cc(C)n(C3=O)n1.c13nn(C)c(C)c1Cl |
23155 | Cn1ncc(Cl)c1C(=O)Nc1cc(C(F)(F)F)ccc1F | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][F] | c13cc5ccc1F.Cn1ncc(Cl)c14.C5(F)(F)F.C24=O.N23 |
23156 | CCOc1ccc(C(=O)Nc2sc(C)c(CC)c2C(N)=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][Ring1][C][C][C][=Ring1][Branch2][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring2] | c16sc(C)c9c18.c15ccc7cc1.C37=O.C8(N)=O.CC4.O45.N36.C9C |
23157 | Cc1csc(NC(=O)c2nn(C)c(C)c2Cl)n1 | [C][C][=C][S][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][Cl][=N][Ring1][S] | c15nn(C)c(C)c1Cl.Cc1csc4n1.C35=O.N34 |
23158 | Cc1cc(C(F)F)nn1CC(=O)NCc1ccco1 | [C][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | Cc1cc5nn14.c16ccco1.C4C2=O.C5(F)F.N23.C36 |
23160 | Cn1nc(C(F)(F)F)cc1C(=O)N1CCc2ccccc21 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.Cn1nc5cc14.C5(F)(F)F.C34=O |
23161 | CCc1c(C)sc(NC(=O)c2ccc(C)o2)c1C(N)=O | [C][C][C][=C][Branch1][C][C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=C][Ring1][#C][C][Branch1][C][N][=O] | c17c(C)sc4c16.c15ccc(C)o1.C35=O.C6(N)=O.CC7.N34 |
23162 | Cc1c(Br)c(C(=O)n2cccn2)nn1C | [C][C][=C][Branch1][C][Br][C][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=N][Ring1][Branch1][=N][N][Ring1][=N][C] | Cc1c(Br)c3nn1C.C3(=O)n1cccn1 |
23164 | C=CCn1c(SCC(=O)OC)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][=N][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c6nc2c1c(=O)[nH]c(=O)n2C.C4C3=O.C=CC5.S46.O3C |
23165 | C=CCn1c(SC(C)C(C)=O)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][O][S][C][Branch1][C][C][C][Branch1][C][C][=O][=N][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C3(C)C(C)=O.C=CC4.S35 |
23168 | Cc1cccc(C(C)C)c1NC(=O)c1ccc(F)cc1 | [C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1cccc5c13.c14ccc(F)cc1.C5(C)C.C24=O.N23 |
23169 | COc1cccc(C(=O)Nc2cc(C)on2)c1OC | [C][O][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=C][Ring1][#C][O][C] | c14cccc7c15.c16cc(C)on1.C37=O.CO4.N36.O5C |
23170 | COc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] | c14ccccc16.N13CCN5CC1.c15ccccc1F.C36=O.CO4 |
23171 | COC(=O)c1c(C)n(CCOc2ccccc2)c2ccc(O)cc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1] | c16c(C)n7c2ccc(O)cc12.c15ccccc1.C36=O.C7C4.CO3.O45 |
23172 | Cc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCCC2)o1 | [C][C][=N][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][O][Ring2][Ring1][Branch1] | Cc1nc(S(=O)(=O)c2ccc(Cl)cc2)c3o1.N13CCCCC1 |
23173 | O=C(NC(NC(=O)c1ccco1)c1ccccc1)c1ccco1 | [O][=C][Branch2][Ring1][=Branch2][N][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | c18ccccc1.c17ccco1.c16ccco1.O=C26.C458.C37=O.N24.N35 |
23174 | O=C(NC(NC(=O)c1ccco1)c1ccc(Cl)cc1)c1ccco1 | [O][=C][Branch2][Ring1][N][N][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][O][Ring1][Branch1] | c18ccc(Cl)cc1.c17ccco1.c16ccco1.O=C26.C458.C37=O.N24.N35 |
23175 | O=C(NCCc1cccc(Cl)c1)c1cccs1 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] | c15cccc(Cl)c1.c14cccs1.O=C24.C3C5.N23 |
23176 | COc1cccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N][=C][Ring2][Ring1][=Branch1] | c15cccc6c1.c18ccccc1F.n17nnc8n1.C4(=O)C7.CO5.N46 |
23181 | O=C(Nc1ccc(Cl)cc1F)c1cccnc1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13ccc(Cl)cc1F.c14cccnc1.O=C24.N23 |
23182 | NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 | [N][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][Cl][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(Cl)cc1.C14CCCCC1.NC(=O)C2.N234 |
23183 | COc1ccc(Cl)cc1NC(=O)c1ccoc1C | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C] | c13ccc(Cl)cc14.c15ccoc1C.C25=O.CO3.N24 |
23184 | CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 | [C][N][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][C][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(C)cc1.C15CCCCC1.C2(=O)C3.N345.CN2 |
23186 | CCOC(=O)c1coc(CNC(=O)c2c(C)oc3c2CCCC3)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c19c(C)oc2c1CCCC2.c18coc%10c1.C48=O.C59=O.CC6.O46.C7%10.N57 |
23188 | Cc1occc1C(=O)Nc1ccc(Cl)cc1Cl | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c13ccc(Cl)cc1Cl.Cc1occc14.C24=O.N23 |
23189 | Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][O][Ring2][Ring1][Ring1] | c16ccc(S(N)(=O)=O)cc1.Cc1ccc5o1.C35=O.N34.C46 |
23190 | Cc1cccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2] | c16cc7nc2ccccc12.Cc1cccc5n1.c17ccc(C)o1.C46=O.N45 |
23191 | O=C(c1ccc(Br)cc1)N1CCN(c2ncccn2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | c15ccc(Br)cc1.N13CCN4CC1.c14ncccn1.O=C35 |
23192 | CCOC(=O)c1cc(-c2ccc(O)c(OC)c2)no1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][=N][O][Ring1][=C] | c17ccc(O)c5c1.c16cc7no1.C36=O.CC4.O34.O5C |
23194 | CCOC(=O)c1cc(-c2ccc(N(CC)CC)cc2)no1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][O][=N][O][Ring1][S] | c19ccc7cc1.c18cc9no1.C38=O.N567.CC4.O34.C5C.C6C |
23196 | CCOC(=O)c1cc(-c2ccc3c(c2)OCO3)no1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][O][Ring1][=C] | c17ccc2c(c1)OCO2.c16cc7no1.C46=O.CC5.O45 |
23197 | COC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=C] | c16cc7cc8c1.C25=O.C37=O.C48=O.CO2.N56.O3C.O4C |
23198 | CCOC(=O)c1cc(-c2ccc(N(C)C)cc2)no1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][O][Ring1][=C] | c17ccc5cc1.c16cc7no1.C36=O.N5(C)C.CC4.O34 |
23200 | NC(=O)C1CCN(C(=O)c2ccccc2Br)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][C][Ring1][#C] | C14CCN3CC1.c15ccccc1Br.NC4=O.C35=O |
23201 | NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C] | c16cccc2ccccc12.C15CCN4CC1.NC5=O.C46=O |
23202 | CCOC(=O)Nc1scc(-c2cccs2)c1C(=O)OC | [C][C][O][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=Ring1][#Branch2][C][=Branch1][C][=O][O][C] | c17scc9c18.c19cccs1.C35=O.C48=O.CC6.O36.N57.O4C |
23203 | Cc1ccnc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=C][Ring2][Ring1][Branch2] | c18cc(C)nc2ccccc12.Cc1ccnc7c1.C5(=O)C6.C48=O.N57.O46 |
23204 | CCOC(=O)C(C)Oc1ccc(=O)n(-c2ccccc2)n1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][=N] | c16ccc(=O)n7n1.c17ccccc1.C3(=O)C5C.CC4.O34.O56 |
23205 | O=C(CC1COc2ccccc2O1)NCCc1ccccc1 | [O][=C][Branch1][S][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15COc2ccccc2O1.c16ccccc1.O=C3C5.C4C6.N34 |
23206 | COc1ccc(C2(C(=O)N3CCCCC3)CCOCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][O][C][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c15ccc7cc1.C167CCOCC1.N14CCCCC1.C46=O.CO5 |
23208 | O=C(CC1COc2ccccc2O1)Nc1ccc(Br)cc1 | [O][=C][Branch1][S][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | C15COc2ccccc2O1.c14ccc(Br)cc1.O=C3C5.N34 |
23209 | CN(C)c1nc(SCC(N)=O)nc(N2CCOCC2)n1 | [C][N][Branch1][C][C][C][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][P] | c14nc5nc6n1.N15CCOCC1.C3C(N)=O.CN4C.S36 |
23210 | CC(CC1CC(C)(C)OC1=O)C(=O)Nc1cc(Cl)ccc1Cl | [C][C][Branch1][S][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | C14CC(C)(C)OC1=O.c13cc(Cl)ccc1Cl.CC(C4)C2=O.N23 |
23211 | CC1(C)CC(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C(=O)O1 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][#Branch2][C][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][=Branch1][C][=O][O][Ring2][Ring1][=Branch1] | c14ccc(S(N)(=O)=O)cc1.CC1(C)CC5C(=O)O1.C5CC3=O.N34 |
23212 | CC1CC(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C(=O)O1 | [C][C][C][C][Branch2][Ring1][#Branch2][C][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][=Branch1][C][=O][O][Ring2][Ring1][Branch1] | c14ccc(S(N)(=O)=O)cc1.CC1CC5C(=O)O1.C5CC3=O.N34 |
23213 | Cc1cccc(OCc2nc(-c3cccnc3)no2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring1] | Cc1cccc5c1.c16nc7no1.c17cccnc1.O45.C46 |
23214 | Cc1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c18ccc2c(c1)OCO2.Cc1ccc6cc1.C5C4=O.O56.N47.C78 |
23215 | Brc1ccc(OCc2nc(-c3ccccn3)no2)cc1 | [Br][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | Brc1ccc5cc1.c16nc7no1.c17ccccn1.O45.C46 |
23216 | Cc1cc(OCC(=O)NCC2CCCO2)ccc1Br | [C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][C][=C][Ring1][P][Br] | Cc1cc5ccc1Br.C17CCCO1.C4C3=O.O45.N36.C67 |
23217 | COC(=O)c1ccc(NC(=O)C2CC(=O)OC2c2ccccc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c17ccc5cc1.C16CC(=O)OC18.c18ccccc1.C37=O.C46=O.CO3.N45 |
23218 | COc1ccc(NC(=O)COc2nc(N(C)C)nc(N(C)C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][O][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][N][C][=C][Ring2][Ring1][#Branch1] | c15nc7nc8n1.c16ccc9cc1.C3(=O)C4.N7(C)C.N8(C)C.CO6.N39.O45 |
23219 | CCNc1nc(NCC)nc(SCC(N)=O)n1 | [C][C][N][C][=N][C][Branch1][Ring2][N][C][C][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][Ring1][=C] | c15nc6nc7n1.C4C(N)=O.CC2.N25.N36.C3C.S47 |
23220 | CC(C)Nc1nc(NC(C)C)nc(SCC(N)=O)n1 | [C][C][Branch1][C][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][Ring1][#C] | c15nc6nc7n1.C4C(N)=O.CC2C.C3(C)C.N25.N36.S47 |
23221 | CN(C)c1nc(SCC(N)=O)nc(N(C)C)n1 | [C][N][Branch1][C][C][C][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][=C] | c13nc4nc5n1.C2C(N)=O.CN3C.N4(C)C.S25 |
23222 | Cc1ccc(C)c(OCc2nc(-c3cccnc3)no2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring2] | Cc1ccc(C)c5c1.c16nc7no1.c17cccnc1.O45.C46 |
23223 | CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1 | [C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15COc2ccccc2O1.c16ccccc1.C3(=O)CC5.CC46.N34 |
23224 | Cc1ccc(C)c(OCc2nc(-c3ccncc3)no2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring2] | Cc1ccc(C)c5c1.c16nc7no1.c17ccncc1.O45.C46 |
23225 | Cc1ccc(C)c(OCc2nc(-c3ccccn3)no2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring2] | Cc1ccc(C)c5c1.c16nc7no1.c17ccccn1.O45.C46 |
23226 | COc1ccc(NC(=O)CCc2ccc(C)o2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc5cc1.c16ccc(C)o1.C3(=O)CC6.CO4.N35 |
23227 | O=C(CCC1COc2ccccc2O1)NCc1ccco1 | [O][=C][Branch1][P][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1] | C15COc2ccccc2O1.O=C3CC5.c16ccco1.N34.C46 |
23228 | CCC(C)NC(=O)CCC1COc2ccccc2O1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.C3(=O)CC5.CCC4C.N34 |
23229 | CC(C)CNC(=O)CSc1nc2ccccc2[nH]1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.CC(C)C4.C3(=O)C5.N34.S56 |
23230 | CCC(C)NC(=O)CSc1nc2ccccc2[nH]1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.CCC4C.C3(=O)C5.N34.S56 |
23231 | COC(=O)CSc1nnc2c3ccccc3n(CC(=O)OC)c2n1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][Ring1][=C][=N][Ring2][Ring1][C] | c18nnc2c3ccccc3n7c2n1.C4(=O)C6.C7C5=O.CO4.S68.O5C |
23232 | Cc1ccc2c(c1)C(N1CCCC1=O)CC(c1ccco1)N2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring2][Ring1][C] | Cc1ccc2c(c1)C(N1CCCC1=O)CC3N2.c13ccco1 |
23234 | Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2Cc1ccccc1 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c(=O)[nH]c(=O)c2c1nc3n24.c15ccccc1.N13CCCC1.C45 |
23235 | C=CCn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c3nc2c1c(=O)[nH]c(=O)n2C.N13CCOCC1.C=CC4 |
23236 | CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 | [C][C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nc2c(c(=O)n(C)c(=O)n2C)n15.c16ccccc1.C5CC6.CC3.N34 |
23237 | CC(NC(=O)CSc1nc(N)cc(N)n1)c1ccccc1 | [C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nc(N)cc(N)n1.c15ccccc1.C2(=O)C4.CC35.N23.S46 |
23238 | CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 | [C][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nc2c(c(=O)n(C)c(=O)n2C)n13.c14ccccc1.C3CC4.CS5 |
23239 | CC(C)CCn1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][Branch1][C][C][C][C][N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c3nc2c1c(=O)n(C)c(=O)n2C.N13CCOCC1.CC(C)CC4 |
23240 | Cc1cc(C#N)c(SCC(N)=O)nc1-c1ccc(F)cc1 | [C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][=C][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1cc(C#N)c3nc14.c14ccc(F)cc1.C2C(N)=O.S23 |
23241 | CC(C)C(=O)Nc1c(-c2cccs2)nc2ccccn12 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=C][C][=C][C][=C][N][Ring1][=C][Ring1][=Branch1] | c14c5nc2ccccn12.CC(C)C3=O.c15cccs1.N34 |
23242 | CCCC(=O)Nc1c(-c2cccs2)nc2ccccn12 | [C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=C][C][=C][C][=C][N][Ring1][=C][Ring1][=Branch1] | c14c5nc2ccccn12.CCCC3=O.c15cccs1.N34 |
23243 | N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)NC1CC1 | [N][#C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][S][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] | N#Cc1ccc7nc16.c17ccc(F)cc1.C4C3=O.C15CC1.S46.N35 |
23244 | Cc1nc2ccccc2c2nc(NC(=O)Cc3ccccc3)nn12 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][#Branch1][Ring1][#C] | Cc1nc2ccccc2c2nc5nn12.c16ccccc1.C4(=O)C6.N45 |
23245 | CC(NC(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 | [C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.c15ccc(F)cc1.CC46.C35=O.N34 |
23246 | Cc1csc(NC(=O)c2ccc(F)c(F)c2)n1 | [C][C][=C][S][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring1][S] | c15ccc(F)c(F)c1.Cc1csc4n1.C35=O.N34 |
23247 | N#Cc1cc2c(nc1SCc1cccnc1)CCCC2 | [N][#C][C][=C][C][=C][Branch1][#C][N][=C][Ring1][=Branch1][S][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][Ring1][S] | N#Cc1cc2c(nc15)CCCC2.c14cccnc1.S35.C34 |
23248 | Cc1nnc(SCC(=O)Nc2ccccc2C)s1 | [C][C][=N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Ring1][P] | c15ccccc1C.Cc1nnc6s1.C4C3=O.S46.N35 |
23249 | Cc1ccc(C)c(NC(=O)CSc2nnc(C)s2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1ccc(C)c5c1.c16nnc(C)s1.C3(=O)C4.N35.S46 |
23250 | CCOC(=O)c1sc(NC(=O)c2ccc(F)cc2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=Ring1][#C][C] | c17sc6nc1C.c18ccc(F)cc1.C37=O.C48=O.CC5.O35.N46 |
23251 | Cc1cccc(C)c1NC(=O)CSc1nc2c(cc1C#N)CCC2 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][#N][C][C][C][Ring1][=Branch2] | c16nc2c(cc1C#N)CCC2.Cc1cccc(C)c15.C3(=O)C4.N35.S46 |
23252 | CCn1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c3nc2c1c(=O)n(C)c(=O)n2C.N13CCOCC1.CC4 |
23253 | COc1ccccc1NC(=O)CSc1nnc(C)s1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1] | c13ccccc15.c16nnc(C)s1.C2(=O)C4.CO3.N25.S46 |
23254 | Cn1c(=O)c2c(nc(Oc3ccc4ccccc4c3)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch2][N][=C][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][Ring1][S][C][N][Branch1][C][C][C][Ring2][Ring1][#Branch1][=O] | Cn1c(=O)c2c(nc5n2C)n(C)c1=O.c16ccc2ccccc2c1.O56 |
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