ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
35143 | Cc1nc(NCC2CCCO2)c2oc3ccccc3c2n1 | [C][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=N][Ring2][Ring1][Ring2] | Cc1nc5c2oc3ccccc3c2n1.C16CCCO1.N45.C46 |
35144 | CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccccc2)n(C)c1=O | [C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C][C][Branch1][C][C][C][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | n15c(=O)c2c(nc3n2CC(C)CN34)n(C)c1=O.c14ccccc1.CC5 |
35145 | CCc1ccc(CCC(=O)Nc2ccc(OC)cc2)o1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][Ring2][Ring1][C] | c15ccc4cc1.c16ccc7o1.C7CC3=O.CC6.N35.O4C |
35146 | Cc1ccc(-n2ncc3c2ncn2nc(-c4ccncc4)nc32)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][#C][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2] | n15ncc2c1ncn1nc6nc21.Cc1ccc5c(C)c1.c16ccncc1 |
35147 | CCn1cc2c(c1-c1ccc(C(C)(C)C)cc1)c(=O)n(C)c(=O)n2C | [C][C][N][C][=C][C][=Branch2][Ring1][=Branch1][=C][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C] | n13cc2c(c15)c(=O)n(C)c(=O)n2C.c15ccc4cc1.C4(C)(C)C.CC3 |
35148 | COc1ccccc1C(=O)NCCc1nc2ccccc2[nH]1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c17nc2ccccc2[nH]1.c14ccccc16.C36=O.C5C7.CO4.N35 |
35149 | COC(=O)C(NC(=O)NC1CCC(C)CC1)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C] | C2(=O)C5C(C)C.C16CCC(C)CC1.C34=O.CO2.N35.N46 |
35150 | CC(C)(C)c1nc2c3cnn(-c4ccc(F)cc4)c3ncn2n1 | [C][C][Branch1][C][C][Branch1][C][C][C][N][=C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][N][=C][N][Ring1][S][N][=Ring2][Ring1][Ring1] | c15nc2c3cnn6c3ncn2n1.c16ccc(F)cc1.CC5(C)C |
35151 | CCn1c(NCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c4nc2c1c(=O)n(C)c(=O)n2C.c16ccccc1.CC5.N34.C36 |
35152 | CC1(C)Cc2nc(-c3ccccc3)nc(SCC(O)CO)c2CO1 | [C][C][Branch1][C][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][S][C][C][Branch1][C][O][C][O][=C][Ring2][Ring1][C][C][O][Ring2][Ring1][#Branch1] | CC1(C)Cc2nc6nc5c2CO1.c16ccccc1.C4C(O)CO.S45 |
35153 | c1ccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)cc1 | [C][=C][C][=C][Branch2][Ring1][N][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1] | n15ncc2c1ncn1c6nnc21.c1ccc5cc1.c16ccco1 |
35154 | O=C1CC(c2ccccc2)N(c2ccccc2)C1=O | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] | O=C1CC4N3C1=O.c14ccccc1.c13ccccc1 |
35155 | CC1CN(c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 | [C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][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][Ring2][Ring1][#Branch1] | CC1CN4c2nc3c(c(=O)n(C)c(=O)n3C)n2C1.c14ccccc1 |
35156 | COC(=O)C(C)NC(=O)Nc1cc(OC)ccc1OC | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C] | c18cc5ccc16.C2(=O)C7C.C34=O.CO2.N37.N48.O5C.O6C |
35157 | O=C(CN1C(=O)COc2ccccc21)N1CCCC1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][C][C][Ring1][Branch1] | O=C3CN1C(=O)COc2ccccc21.N13CCCC1 |
35158 | CCOc1ccc2[nH]c3c(N4CC(C)OC(C)C4)ncnc3c2c1 | [C][C][O][C][=C][C][=C][NH1][C][=C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][N][=C][N][=C][Ring1][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c16ccc2[nH]c3c7ncnc3c2c1.N17CC(C)OC(C)C1.CC5.O56 |
35159 | Cn1nc(-c2ccc(C(=O)N3CCCC3)cc2)c2ccccc2c1=O | [C][N][N][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O] | Cn1nc6c2ccccc2c1=O.c16ccc5cc1.N14CCCC1.C45=O |
35160 | c1ccc2c(c1)oc1c(NCC3CCCO3)ncnc12 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][N][=C][N][=C][Ring1][=N][Ring1][P] | c1ccc2c(c1)oc1c5ncnc12.C16CCCO1.N45.C46 |
35161 | Clc1cccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)c1 | [Cl][C][=C][C][=C][C][Branch2][Ring1][N][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][=C][Ring1][#Branch2][=C][Ring2][Ring1][#Branch1] | n15ncc2c1ncn1c6nnc21.Clc1cccc5c1.c16ccco1 |
35162 | Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][N][Ring1][=N][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch1] | c15c2c(=O)n(C)c(=O)n(C)c2cn14.Cc1ccc5cc1.C4(C)C |
35163 | O=C1CCCc2nc(NCCc3ccco3)ncc21 | [O][=C][C][C][C][C][=N][C][Branch1][O][N][C][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][Ring1][=C][Ring2][Ring1][C] | O=C1CCCc2nc5ncc21.c16ccco1.C4C6.N45 |
35164 | CCSc1nc2cc(OC)c(OC)cc2c(=O)n1-c1ccccc1 | [C][C][S][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nc2cc3c4cc2c(=O)n16.c16ccccc1.CC5.S57.O3C.O4C |
35165 | CC1CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C)CC(C)O1 | [C][C][C][N][Branch2][Ring1][O][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][Branch1][C][C][O][Ring2][Ring1][Branch1] | c14nc2c(c(=O)n(C)c(=O)n2C)n1C.CC1CN4CC(C)O1 |
35166 | C=C1C2(C(=O)Nc3cc(C)ccn3)CCC(C2)C1(C)C | [C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][C][C][C][Branch1][Ring2][C][Ring1][#C][C][Ring1][P][Branch1][C][C][C] | C=C1C26CCC(C2)C1(C)C.c15cc(C)ccn1.C46=O.N45 |
35167 | COC(=O)C=c1sc2n(c1=O)C(C)=CC(C)(C)N=2 | [C][O][C][=Branch1][C][=O][C][=C][S][C][N][Branch1][Branch1][C][Ring1][Branch1][=O][C][Branch1][C][C][=C][C][Branch1][C][C][Branch1][C][C][N][=Ring1][O] | C3(=O)C=c1sc2n(c1=O)C(C)=CC(C)(C)N=2.CO3 |
35168 | CCOc1ccc(NC(=O)NC(C)C(=O)OC)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][S] | c16ccc8cc1.C7(C)C2=O.C34=O.CC5.O56.N38.N47.O2C |
35169 | Cn1c(=O)c2c(nc(Oc3ccccn3)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][N][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][N][C][N][Branch1][C][C][C][Ring2][Ring1][Ring1][=O] | Cn1c(=O)c2c(nc4n2C)n(C)c1=O.c15ccccn1.O45 |
35170 | CCc1nc2c3cnn(-c4ccc(F)cc4)c3ncn2n1 | [C][C][C][N][=C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][N][=C][N][Ring1][S][N][=Ring2][Ring1][Ring1] | c15nc2c3cnn6c3ncn2n1.c16ccc(F)cc1.CC5 |
35171 | Cc1nnc2c3cnn(-c4ccc(F)cc4)c3ncn12 | [C][C][=N][N][=C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][N][=C][N][Ring2][Ring1][Ring1][Ring1][S] | Cc1nnc2c3cnn5c3ncn12.c15ccc(F)cc1 |
35172 | COC(=O)C(C)NC(=O)Nc1ccccc1C(F)(F)F | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c16ccccc17.C2(=O)C5C.C7(F)(F)F.C34=O.CO2.N35.N46 |
35173 | CC(=O)Nc1ccc2c(c1)CN(c1ccc(Cl)cc1)CO2 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][O][Ring1][=C] | c14ccc2c(c1)CN5CO2.c15ccc(Cl)cc1.CC3=O.N34 |
35175 | CC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccc(Cl)cc2)c1C | [C][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][C][N][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][Ring1][C] | c13c4c(C)n(NC5=O)c1C.c15ccc(Cl)cc1.CC3=O.C4(C)=O |
35176 | Fc1ccccc1-c1nc2c3cnn(-c4ccccc4)c3ncn2n1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][N][Ring1][#C][N][=Ring2][Ring1][C] | c16nc2c3cnn5c3ncn2n1.Fc1ccccc16.c15ccccc1 |
35178 | O=C(NCc1ccc(Cl)cc1Cl)c1ccc(=O)[nH]n1 | [O][=C][Branch1][#C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][=C][C][=Branch1][C][=O][NH1][N][=Ring1][#Branch1] | c15ccc(Cl)cc1Cl.c14ccc(=O)[nH]n1.O=C24.N23.C35 |
35179 | COc1cccc(OCc2nc3c4cnn(C)c4ncn3n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][N][=C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][N][Ring1][#Branch2][N][=Ring1][=N][=C][Ring2][Ring1][Branch1] | c18nc2c3cnn(C)c3ncn2n1.c16cccc7c1.CO6.O57.C58 |
35181 | Cc1nnc2c3cnn(-c4cccc(Cl)c4)c3ncn12 | [C][C][=N][N][=C][C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][N][N][=C][N][Ring2][Ring1][Ring1][Ring1][S] | Cc1nnc2c3cnn5c3ncn12.c15cccc(Cl)c1 |
35182 | COC(=O)C(CC(C)C)NC(=O)Nc1ccccc1C | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | C2(=O)C5CC(C)C.c16ccccc1C.C34=O.CO2.N35.N46 |
35183 | Cn1c(=O)[nH]c(=O)c2c1nc(N)n2CCOc1ccccc1 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c(=O)[nH]c(=O)c2c1nc(N)n25.c14ccccc1.C5C3.O34 |
35184 | Cn1c(=O)n(CC(=O)NCc2cccnc2)c2ccccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | Cn1c(=O)n5c2ccccc21.c16cccnc1.C5C3=O.N34.C46 |
35185 | COc1cccc2[nH]c3c(N4CCC(C)CC4)ncnc3c12 | [C][O][C][=C][C][=C][C][NH1][C][=C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][N][=C][Ring1][=N][C][Ring2][Ring1][Ring2][=Ring1][S] | c15cccc2[nH]c3c6ncnc3c12.N16CCC(C)CC1.CO5 |
35186 | CC(C)COn1c(SCC(N)=O)nc2ccccc2c1=O | [C][C][Branch1][C][C][C][O][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O] | O3n1c5nc2ccccc2c1=O.CC(C)C3.C4C(N)=O.S45 |
35188 | COC(=O)C(CC(C)C)NC(=O)NC1CCCCC1 | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | C2(=O)C5CC(C)C.C16CCCCC1.C34=O.CO2.N35.N46 |
35189 | CCC1CCCCN1C(=O)NC(C(=O)OC)C(C)C | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C] | C16CCCCN13.C5(C2=O)C(C)C.C34=O.CC6.N45.O2C |
35190 | Cc1nnc2c3cnn(-c4ccc(Cl)cc4)c3ncn12 | [C][C][=N][N][=C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][N][=C][N][Ring2][Ring1][Ring1][Ring1][S] | Cc1nnc2c3cnn5c3ncn12.c15ccc(Cl)cc1 |
35191 | CCN1CCOC(CC(=O)Nc2cc(OC)cc(OC)c2)C1=O | [C][C][N][C][C][O][C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring2][=O] | N17CCOC8C1=O.c16cc4cc5c1.C8C3=O.CC7.N36.O4C.O5C |
35192 | O=C(Nc1ccccc1)NC1CCCc2occc21 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][O][C][=C][C][=Ring1][Branch1][Ring1][=Branch2] | N4C1CCCc2occc21.c15ccccc1.O=C34.N35 |
35193 | CN(CCO)C(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 | [C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17nn(C)c(=O)c2ccccc12.c16ccc7cc1.CN45.C5CO.C46=O |
35194 | COC(=O)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch1][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][S][Ring1][N][O][Ring1][S] | C16C2C=CC3(CN7C(=O)C13)O2.c18cccs1.C56=O.CO5.C78 |
35195 | COc1ccccc1Cn1c(N)c(C(N)=O)c2nc3ccccc3nc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][Branch1][C][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][P] | n16c(N)c5c2nc3ccccc3nc21.c14ccccc17.C5(N)=O.CO4.C67 |
35197 | CCc1ccccc1N1CC23C=CC(O2)C(C(=O)OC)C3C1=O | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][Branch1][Ring2][O][Ring1][Branch1][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][O][C][Ring1][=C][=O] | N17CC23C=CC(O2)C5C3C1=O.c16ccccc17.C45=O.CC6.O4C |
35198 | CNC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 | [C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17nn(C)c(=O)c2ccccc12.c16ccc7cc1.C4(=O)C5.CN4.O56 |
35199 | CC1CC(C)CN(c2ncc3c(n2)CCCC3=O)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][C][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=O][C][Ring2][Ring1][C] | c14ncc2c(n1)CCCC2=O.CC1CC(C)CN4C1 |
35200 | CCc1nnc2c3cnn(-c4ccc(C)cc4C)c3ncn12 | [C][C][C][=N][N][=C][C][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=Ring1][=N][N][=C][N][Ring2][Ring1][Ring2][Ring1][P] | c15nnc2c3cnn6c3ncn12.c16ccc(C)cc1C.CC5 |
35201 | COn1c(SCC(=O)N(C)C)nc2ccccc2c1=O | [C][O][N][C][Branch1][N][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] | COn1c5nc2ccccc2c1=O.C4C3=O.N3(C)C.S45 |
35204 | Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccccc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring2][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2] | c15c2c(=O)n(C)c(=O)n(C)c2cn14.Cc1cccc5c1.c14ccccc1 |
35205 | Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1Cc1ccccc1 | [C][C][=C][N][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][=Branch2][N][=C][Ring1][N][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n14.c15ccccc1.C45 |
35206 | Oc1cccc(-c2nc3c4cnn(-c5ccc(F)cc5)c4ncn3n2)c1 | [O][C][=C][C][=C][C][Branch2][Ring1][P][C][N][=C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][N][=C][N][Ring1][S][N][=Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2] | c17nc2c3cnn6c3ncn2n1.Oc1cccc7c1.c16ccc(F)cc1 |
35207 | COc1ccccc1-c1nc(C#N)c(N2CCC(C(N)=O)CC2)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][S][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][O][Ring1][S] | c16nc(C#N)c4o1.c13ccccc16.N14CCC5CC1.C5(N)=O.CO3 |
35208 | CC(O)CNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17nn(C)c(=O)c2ccccc12.c16ccc7cc1.CC(O)C5.C46=O.N45 |
35209 | Cc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2CCO)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][O][C][=C][Ring2][Ring1][#Branch1] | c15nc2c(c(=O)[nH]c(=O)n2C)n16.Cc1ccc7cc1.C6CO.C47.N45 |
35210 | Cc1cccc2[nH]c3c(N4CC(C)OC(C)C4)ncnc3c12 | [C][C][=C][C][=C][C][NH1][C][=C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][N][=C][N][=C][Ring1][=C][C][Ring2][Ring1][Branch1][=Ring1][P] | Cc1cccc2[nH]c3c5ncnc3c12.N15CC(C)OC(C)C1 |
35211 | O=C1CC(c2ccco2)Cc2nc(NC3CCCC3)ncc21 | [O][=C][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][=N][C][=C][Ring1][N][Ring2][Ring1][Branch1] | O=C1CC6Cc2nc4ncc21.c16ccco1.C15CCCC1.N45 |
35212 | CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NC3CC3)ccc21 | [C][C][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][P][Ring2][Ring1][#Branch1] | n18c(=O)n9c2nc6ccc21.C4(=O)CCC5=O.C17CC1.CC8.C9C.N46.N57 |
35213 | CCc1ccc(N2CC34C=CC(O3)C(C(=O)OC)C4C2=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][N][N][C][C][C][=C][C][Branch1][Ring2][O][Ring1][Branch1][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][O][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | N18CC23C=CC(O2)C6C3C1=O.c17ccc8cc1.C56=O.CC7.O5C |
35214 | NC(=O)CSc1nc2ccccc2n1Cc1ccccc1F | [N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16nc2ccccc2n14.c15ccccc1F.NC(=O)C3.S36.C45 |
35215 | CCOC(=O)C1C2C=CC3(CN(CCc4ccccc4)C(=O)C13)O2 | [C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][C][Ring1][=C][O][Ring2][Ring1][C] | C17C2C=CC3(CN8C(=O)C13)O2.c19ccccc1.C57=O.C8C9.CC6.O56 |
35217 | Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C(C)(C)C)c1 | [C][C][=C][C][=C][C][Branch2][Ring2][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][N][Ring1][=N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch1] | c15c2c(=O)n(C)c(=O)n(C)c2cn14.Cc1cccc5c1.C4(C)(C)C |
35218 | CCOc1ccc(OCc2nc(C#N)c(N(C)C)o2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][=Branch1][N][Branch1][C][C][C][O][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | c18nc(C#N)c7o1.c15ccc6cc1.N7(C)C.CC3.O35.O46.C48 |
35219 | Cc1ccccc1-n1nc(C)c2cc(C(=O)NC3CC3)sc21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][C][C][C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][C][=Ring1][O][Ring1][#C] | n17nc(C)c2cc6sc21.Cc1ccccc17.C46=O.C15CC1.N45 |
35220 | COc1ccccc1-c1nc2c3cnn(-c4ccccc4)c3ncn2n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][N][Ring1][#C][N][=Ring2][Ring1][C] | c17nc2c3cnn6c3ncn2n1.c15ccccc17.c16ccccc1.CO5 |
35221 | Fc1ccc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][=C][C][N][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][N][Ring1][#C][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | c17nc2c3cnn6c3ncn2n1.Fc1ccc7cc1.c16ccccc1 |
35223 | Fc1ccc(-n2ncc3c2ncn2c(-c4cccs4)nnc32)cc1 | [F][C][=C][C][=C][Branch2][Ring1][N][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][N][=C][Ring1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1] | n15ncc2c1ncn1c6nnc21.Fc1ccc5cc1.c16cccs1 |
35224 | c1ccc(-n2ncc3c2ncn2nc(C4CCCO4)nc32)cc1 | [C][=C][C][=C][Branch2][Ring1][N][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][N][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][N][=C][Ring1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1] | n15ncc2c1ncn1nc6nc21.c1ccc5cc1.C16CCCO1 |
35225 | CCN1CCOC(CC(=O)Nc2ccccc2C)C1=O | [C][C][N][C][C][O][C][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][=O] | N15CCOC6C1=O.c14ccccc1C.C6C3=O.CC5.N34 |
35226 | COc1cccc(NC(=O)C2CC(=O)n3ncnc3N2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][N][=C][N][=C][Ring1][Branch1][N][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | C17CC(=O)n2ncnc2N1.c15cccc6c1.C47=O.CO5.N46 |
35227 | Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCOCC3)sc21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][C][C][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][C][=Ring1][=N][Ring1][P] | n16nc(C)c2cc5sc21.Cc1ccccc16.N14CCOCC1.C45=O |
35228 | COC(=O)C(NC(=O)Nc1cc(C)cc(C)c1)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][C][C] | c16cc(C)cc(C)c1.C2(=O)C5C(C)C.C34=O.CO2.N35.N46 |
35229 | Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][O][N][C][C][C][N][C][Ring1][=Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch1] | N14CCCn2c1nc1c2c(=O)[nH]c(=O)n1C.Cc1cc4cc(C)c1 |
35230 | Cc1ccc(NC(=O)C2CC(=O)n3cnnc3N2)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Ring1][Branch1][N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][Cl] | C16CC(=O)n2cnnc2N1.Cc1ccc5cc1Cl.C46=O.N45 |
35231 | COc1ccc(-c2nc(C#N)c(NCc3cccnc3)o2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][C] | c14ccc9cc15.c19nc(C#N)c7o1.c18cccnc1.CO4.N67.C68.O5C |
35232 | Cc1ccc(-n2ncc3c2ncn2c(C)nnc32)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][C][Branch1][C][C][=N][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][Cl] | n14ncc2c1ncn1c(C)nnc21.Cc1ccc4cc1Cl |
35233 | Clc1ccc(-n2ncc3c2ncn2nc(-c4cccnc4)nc32)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][=N][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][#C][Ring1][O][C][=C][Ring2][Ring1][Branch2] | n15ncc2c1ncn1nc6nc21.Clc1ccc5cc1.c16cccnc1 |
35234 | Cn1nc(-c2ccc(OCC(N)=O)cc2)c2ccccc2c1=O | [C][N][N][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | Cn1nc5c2ccccc2c1=O.c15ccc4cc1.C3C(N)=O.O34 |
35235 | Cc1ccn2cc(-c3cccc(S(=O)(=O)N4CCCC4)c3)nc2c1 | [C][C][C][=C][N][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=C][N][=C][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1] | Cc1ccn2cc6nc2c1.c16cccc(S5(=O)=O)c1.N15CCCC1 |
35238 | Cc1cccc(NC(=O)Cn2c(=O)n(C)c3ccccc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][Branch1] | n16c(=O)n(C)c2ccccc21.Cc1cccc5c1.C4(=O)C6.N45 |
35239 | Fc1ccc2[nH]c3c(NCC4CCCO4)ncnc3c2c1 | [F][C][=C][C][=C][NH1][C][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][N][=C][N][=C][Ring1][=N][C][Ring1][S][=C][Ring2][Ring1][Ring2] | Fc1ccc2[nH]c3c6ncnc3c2c1.C17CCCO1.N56.C57 |
35240 | CCN1CCOC(CC(=O)Nc2ccc(F)cc2)C1=O | [C][C][N][C][C][O][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P][=O] | N15CCOC6C1=O.c14ccc(F)cc1.C6C3=O.CC5.N34 |
35241 | COC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O | [C][O][C][=Branch1][C][=O][C][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] | n14nc5c2ccccc2c1=O.c15ccc(Cl)cc1.C3(=O)CC4.CO3 |
35242 | CC(C)CCNc1ncnc2c1[nH]c1ccc(F)cc12 | [C][C][Branch1][C][C][C][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][#Branch2] | c14ncnc2c1[nH]c1ccc(F)cc12.CC(C)CC3.N34 |
35243 | Cc1nnc(SCSc2nnnn2-c2ccccc2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring1] | Cc1nnc4s1.c15nnnn13.c13ccccc1.S4CS5 |
35244 | CC1(C)CC(=O)c2cnc(NC(=O)COc3ccccc3)nc2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][P][C][Ring2][Ring1][#Branch1] | CC1(C)CC(=O)c2cnc7nc2C1.c16ccccc1.C4(=O)C5.N47.O56 |
35245 | CC(C)OC(=O)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch1][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][S][Ring1][N][O][Ring1][S] | C17C2C=CC3(CN8C(=O)C13)O2.c19cccs1.CC6C.C57=O.O56.C89 |
35246 | Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][Branch1][C][C][C][N][C][Ring1][#Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][#Branch1] | N14CC(C)Cn2c1nc1c2c(=O)[nH]c(=O)n1C.Cc1ccc4cc1 |
35247 | Cc1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)cc1C | [C][C][=C][C][=C][Branch2][Ring1][N][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1][C] | n15ncc2c1ncn1nc6nc21.Cc1ccc5cc1C.c16ccco1 |
35248 | Fc1ccc2[nH]c3c(NCCc4ccccc4)ncnc3c2c1 | [F][C][=C][C][=C][NH1][C][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][=C][Ring1][#C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Fc1ccc2[nH]c3c6ncnc3c2c1.c17ccccc1.C5C7.N56 |
35249 | c1cncc(CNc2ncnc3sc4c(c23)CCCC4)c1 | [C][=C][N][=C][C][Branch2][Ring1][Branch2][C][N][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | c16ncnc2sc3c(c12)CCCC3.c1cncc7c1.C57.N56 |
35250 | Cc1ccc(-n2ncc3c2ncn2c(C)nnc32)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][C][Branch1][C][C][=N][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C] | n14ncc2c1ncn1c(C)nnc21.Cc1ccc4cc1C |
35251 | CCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 | [C][C][N][C][C][=C][N][Branch1][Branch2][C][=Branch1][C][=O][N][=Ring1][#Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][P] | c16cc2n(c(=O)n1)CCc1cc3c4cc1-2.CC5.N56.O3C.O4C |
35252 | CCc1nc2c3cnn(-c4ccccc4)c3ncn2n1 | [C][C][C][N][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][N][Ring1][#C][N][=Ring2][Ring1][C] | c15nc2c3cnn6c3ncn2n1.c16ccccc1.CC5 |
35253 | Clc1cccc(-n2ncc3c2ncn2nc(-c4ccncc4)nc32)c1 | [Cl][C][=C][C][=C][C][Branch2][Ring1][=N][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][#C][Ring1][O][=C][Ring2][Ring1][Branch2] | n15ncc2c1ncn1nc6nc21.Clc1cccc5c1.c16ccncc1 |
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