ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
14136 | Cc1ccnc(NC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][=C][Ring2][Ring1][=Branch1] | Cc1ccnc5c1.C16CC(=O)N7C1.c17ccc(F)cc1.C46=O.N45 |
14139 | CCc1c(C)nc(N)nc1OCC(F)(F)C(F)F | [C][C][C][=C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F] | c14c3nc(N)nc1C.C2C(F)(F)C(F)F.CC4.O23 |
14140 | OCC1N=C(c2ccccn2)OC1c1ccccc1 | [O][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][O][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C13N=C(c2ccccn2)OC14.c14ccccc1.OC3 |
14141 | C=CCn1c(C(O)c2ccccc2)nc2ccccc21 | [C][=C][C][N][C][Branch1][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n13c4nc2ccccc21.c15ccccc1.C=CC3.C45O |
14142 | CC1(C)CC(=O)c2cnc(NC(=O)C3CC3)nc2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][N][=C][Ring1][N][C][Ring2][Ring1][C] | CC1(C)CC(=O)c2cnc5nc2C1.C46=O.C16CC1.N45 |
14144 | O=C(Cc1csc(-c2ccccc2)n1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | c14csc5n1.c15ccccc1.N13CCOCC1.O=C3C4 |
14145 | Cc1nc(CC(=O)Nc2ccc(Br)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][S][Ring1][S] | c14ccc(Br)cc1.Cc1nc5cs1.C5C3=O.N34 |
14146 | OCc1nc2ccccc2n1Cc1ccc(F)cc1 | [O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14nc2ccccc2n13.c15ccc(F)cc1.OC4.C35 |
14147 | Nc1c(N2CCCCC2)cnn(-c2ccccc2)c1=O | [N][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O] | Nc1c3cnn4c1=O.N13CCCCC1.c14ccccc1 |
14148 | COc1ccccc1Cn1c(C(C)O)nc2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][Branch1][=Branch1][C][Branch1][C][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | n14c5nc2ccccc21.c13ccccc16.C5(C)O.CO3.C46 |
14149 | CCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1 | [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.c16ccccc1.N234.C25=O.CC3.C46 |
14150 | COc1ccccc1Cn1c(CO)nc2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][Branch1][Ring1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | n14c5nc2ccccc21.c13ccccc16.CO3.C46.C5O |
14151 | COc1ccc(Cn2c(CO)nc3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][Branch1][Ring1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | n16c7nc2ccccc21.c14ccc8cc15.CO4.C68.C7O.O5C |
14152 | COC(=O)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c18ccc6cc1.C17CCN5CC1.S5(C)(=O)=O.C38=O.C47=O.CO3.N46 |
14153 | O=C(CNS(=O)(=O)c1ccccc1)NCC1CCCO1 | [O][=C][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][O][Ring1][Branch1] | S5(=O)(=O)c1ccccc1.C16CCCO1.O=C2C3.N35.N24.C46 |
14154 | CCN(Cc1ccccc1)C(=O)c1ccc(Br)cc1 | [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c15ccc(Br)cc1.c16ccccc1.N234.C25=O.CC3.C46 |
14156 | Cc1c(NC(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][C] | Cc1c4c(=O)n6n1C.c16ccccc1.c15ccco1.C35=O.N34 |
14157 | O=S1(=O)N=C(Nc2ccccc2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | O=S1(=O)N=C(N3)c2ccccc21.c13ccccc1 |
14158 | COc1ccc(C(=O)c2nc3c(n2O)CCCC3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][N][Ring1][Branch1][O][C][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][C][O][C] | c16nc2c(n1O)CCCC2.c14ccc7cc15.C67=O.CO4.O5C |
14159 | CCc1cccc(C)c1NC(=O)Cc1ccccc1 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cccc(C)c13.c15ccccc1.C2(=O)C5.CC4.N23 |
14160 | Nc1c(N2CCCC2)cnn(-c2ccccc2)c1=O | [N][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] | Nc1c3cnn4c1=O.c14ccccc1.N13CCCC1 |
14161 | CC(Cc1ccccc1)NC1=NS(=O)(=O)c2ccccc21 | [C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N3C1=NS(=O)(=O)c2ccccc21.c14ccccc1.CC3C4 |
14162 | Cc1n[nH]c(C)c1CCOc1ccccc1Cl | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | Cc1n[nH]c(C)c14.c13ccccc1Cl.C4C2.O23 |
14163 | Nc1ccc(-c2nc3cc(N)ccc3s2)c(O)c1 | [N][C][=C][C][=C][Branch1][P][C][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][Branch1][C][O][=C][Ring1][P] | c14nc2cc(N)ccc2s1.Nc1ccc4c(O)c1 |
14164 | CCOc1ccccc1OCCc1c(C)n[nH]c1C | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C] | c14ccccc15.c16c(C)n[nH]c1C.C3C6.CC2.O24.O35 |
14165 | O=c1oc2cc(Br)c(O)cc2c2c1NCCC2 | [O][=C][O][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][=C][Ring1][N][N][C][C][C][Ring1][=Branch1] | O=c1oc2cc(Br)c(O)cc2c2c1NCCC2 |
14166 | CCOC(=O)c1nc(N)c(=O)n(-c2ccc(Cl)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][N][=C][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring1][#C] | c15nc(N)c(=O)n6n1.c16ccc(Cl)cc1.C35=O.CC4.O34 |
14167 | CCOC(=O)c1nc(N)c(=O)n(-c2ccccc2)n1 | [C][C][O][C][=Branch1][C][=O][C][N][=C][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][=C] | c15nc(N)c(=O)n6n1.c16ccccc1.C35=O.CC4.O34 |
14168 | COc1ccc(C(=O)c2ccc(OC)c(N)c2)cc1N | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][N][=C][Ring1][=Branch2][C][=C][Ring1][P][N] | c13ccc5cc1N.c16ccc4c(N)c1.C56=O.CO3.O4C |
14169 | Nc1nc2c3ccccc3nc(Cc3ccccc3)n2n1 | [N][C][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P][N][=Ring2][Ring1][Ring2] | Nc1nc2c3ccccc3nc4n2n1.c15ccccc1.C45 |
14170 | COc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][C] | N5C1=NS(=O)(=O)c2ccccc21.c14cccc5c1.CO4 |
14171 | Cc1ccccc1C(=O)Nc1ncn(Cc2ccccc2)n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][N] | Cc1ccccc15.c14ncn6n1.c17ccccc1.C35=O.N34.C67 |
14172 | CC1(C)CC(=O)c2cnc(NC(=O)C3CCCCC3)nc2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][#C][C][Ring2][Ring1][Branch1] | CC1(C)CC(=O)c2cnc5nc2C1.C16CCCCC1.C46=O.N45 |
14173 | CC1NC(=O)N(C)C2NC(=O)N(C)C(c3ccccc3)C12 | [C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][Ring1][=C] | CC1NC(=O)N(C)C2NC(=O)N(C)C4C12.c14ccccc1 |
14174 | O=S1(=O)N=C(NCc2ccccc2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | O=S1(=O)N=C(N3)c2ccccc21.c14ccccc1.C34 |
14176 | COc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1OC | [C][O][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][O][C] | c14ccc8cc17.c19ccc5c6c1.C39=O.CO4.N38.O5C.O6C.O7C |
14177 | O=C(Nc1ccc(F)cc1F)c1cccc(F)c1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c13ccc(F)cc1F.c14cccc(F)c1.O=C24.N23 |
14178 | COc1ccc(NC(=O)c2ccc(C)cc2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][S][O][C] | c14ccc6cc15.c17ccc(C)cc1.C37=O.CO4.N36.O5C |
14179 | Cc1ccc(OCC(=O)N2CCCC2)c(Br)c1 | [C][C][=C][C][=C][Branch1][=C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][Br][=C][Ring1][S] | Cc1ccc5c(Br)c1.N13CCCC1.C4C3=O.O45 |
14181 | COc1cc(OC)cc(C(=O)N2CCOCC2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S] | c14cc5cc6c1.N13CCOCC1.C36=O.CO4.O5C |
14182 | O=C1CCCc2nn(-c3ccccc3)c(-c3cccnc3)c21 | [O][=C][C][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][P][Ring2][Ring1][Branch1] | O=C1CCCc2nn4c5c21.c14ccccc1.c15cccnc1 |
14183 | O=C(NCc1ccco1)C1CC(=O)N(c2ccc(F)cc2)C1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N7C1.c17ccc(F)cc1.c16ccco1.O=C35.N34.C46 |
14184 | Cc1nc2nc(S(=O)(=O)N3CCC(C)CC3)nn2c(C)c1C | [C][C][=N][C][=N][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=N][N][Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][C] | Cc1nc2nc(S4(=O)=O)nn2c(C)c1C.N14CCC(C)CC1 |
14185 | Cc1nc2nc(S(=O)(=O)N3CCCCC3)nn2c(C)c1C | [C][C][=N][C][=N][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][N][Ring1][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][C] | Cc1nc2nc(S4(=O)=O)nn2c(C)c1C.N14CCCCC1 |
14186 | Cc1nc2nc(S(=O)(=O)NCCC(C)C)nn2c(C)c1C | [C][C][=N][C][=N][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][=N][N][Ring1][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][C] | Cc1nc2nc(S4(=O)=O)nn2c(C)c1C.C3CC(C)C.N34 |
14187 | Cc1nc2nc(SCC(C)C)nn2c(C)c1C | [C][C][=N][C][=N][C][Branch1][Branch2][S][C][C][Branch1][C][C][C][=N][N][Ring1][#Branch2][C][Branch1][C][C][=C][Ring1][#C][C] | Cc1nc2nc4nn2c(C)c1C.C3C(C)C.S34 |
14188 | COCc1cc(C)nc(SCC(=O)Nc2cccc(C)c2)c1C#N | [C][O][C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][#N] | c17cc(C)nc8c1C#N.c16cccc(C)c1.C5C3=O.CO4.C47.S58.N36 |
14189 | COCc1cc(C)nc2sc(C(=O)Nc3cccc(C)c3)c(N)c12 | [C][O][C][C][=C][C][Branch1][C][C][=N][C][S][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Branch1][C][N][C][Ring2][Ring1][Branch1][=Ring1][S] | c18cc(C)nc2sc7c(N)c12.c16cccc(C)c1.C47=O.CO5.C58.N46 |
14190 | O=C(CNC(=O)c1ccco1)OCc1ccc(Cl)cc1 | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c17ccc(Cl)cc1.c16ccco1.O=C2C5.C36=O.N35.O24.C47 |
14191 | O=C(CNC(=O)c1cccs1)OCc1ccc(Cl)cc1 | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c17ccc(Cl)cc1.c16cccs1.O=C2C5.C36=O.N35.O24.C47 |
14192 | CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C] | S6(=O)(=O)c1cccc8c1.C17CCCCC1.N456.C38=O.CC4.C5C.N37 |
14193 | COc1ccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][O][C] | c18n[nH]c(=O)c2ccccc12.c15ccc9cc16.C48=O.CO5.C79.N47.O6C |
14194 | C#CC(C)(CC)NC(=O)c1cc2cc(OC)ccc2oc1=O | [C][#C][C][Branch1][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][Ring1][N][=O] | c16cc2cc4ccc2oc1=O.C#CC5(C)CC.C36=O.N35.O4C |
14195 | C#CC(C)(CC)NC(=O)c1cc2ccccc2oc1=O | [C][#C][C][Branch1][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] | c15cc2ccccc2oc1=O.C#CC4(C)CC.C35=O.N34 |
14197 | Cc1nc(S(=O)(=O)NCc2ccccc2)c(C#N)c(C)c1Cl | [C][C][=N][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Cl] | Cc1nc(S4(=O)=O)c(C#N)c(C)c1Cl.c15ccccc1.N34.C35 |
14198 | O=c1c2c(ncn1Cc1ccccc1)nc1n2CCC1 | [O][=C][C][=C][Branch1][#C][N][=C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#C][C][C][C][Ring1][Branch1] | O=c1c2c(ncn13)nc1n2CCC1.c14ccccc1.C34 |
14199 | O=C(CSc1ccc2ccccc2n1)NCc1ccco1 | [O][=C][Branch1][P][C][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17ccc2ccccc2n1.c16ccco1.O=C3C5.S57.N34.C46 |
14200 | Cc1noc(C)c1CSc1ccc2ccccc2n1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c15ccc2ccccc2n1.Cc1noc(C)c14.C34.S35 |
14201 | CC(C)CNC(=O)c1cccnc1Nc1ccccc1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cccnc14.c15ccccc1.CC(C)C3.C26=O.N23.N45 |
14202 | Cc1cc(SCC(=O)NCc2ccco2)nc2ccccc12 | [C][C][=C][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | Cc1cc7nc2ccccc12.c16ccco1.C5C3=O.S57.N34.C46 |
14203 | Cc1cc(C)n2ncc(C(=O)N3CCCCC3)c2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=N][N][=Ring2][Ring1][C] | Cc1cc(C)n2ncc5c2n1.N14CCCCC1.C45=O |
14204 | COc1ccc(CNc2nccs2)cc1OC | [C][O][C][=C][C][=C][Branch1][#Branch2][C][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][=N][O][C] | c13ccc7cc14.c16nccs1.CO3.C57.N56.O4C |
14206 | COc1ccc(NC(=O)c2coc(=O)c3ccccc23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][O][C] | c18coc(=O)c2ccccc12.c15ccc7cc16.C48=O.CO5.N47.O6C |
14207 | COc1cccc(NC(=O)c2coc(=O)c3ccccc23)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c17coc(=O)c2ccccc12.c15cccc6c1.C47=O.CO5.N46 |
14208 | COC(=O)c1ccccc1NC(=O)c1coc(=O)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c17coc(=O)c2ccccc12.c16ccccc15.C36=O.C47=O.CO3.N45 |
14210 | CC1CC(C)CN(C(=O)c2coc(=O)c3ccccc23)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][Ring2][Ring1][Ring2] | c15coc(=O)c2ccccc12.CC1CC(C)CN4C1.C45=O |
14211 | COc1ccc(C(=O)Oc2cc(N)n(S(C)(=O)=O)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][N][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][N][=Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c14cc(N)n(S(C)(=O)=O)n1.c15ccc6cc1.C36=O.CO5.O34 |
14212 | CCOc1ccc(C(=O)Oc2cc(N)n(S(C)(=O)=O)n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][N][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][N][=Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c15cc(N)n(S(C)(=O)=O)n1.c16ccc7cc1.C37=O.CC4.O46.O35 |
14213 | CC(C)(C)c1ccc(C(=O)Oc2cc(N)n(S(C)(=O)=O)n2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][N][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][N][=Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c14cc(N)n(S(C)(=O)=O)n1.c16ccc5cc1.CC6(C)C.C35=O.O34 |
14215 | CCOc1ccc(S(=O)(=O)NCC2CCCO2)c2cccnc12 | [C][C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][N][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c14ccc(S6(=O)=O)c2cccnc12.C17CCCO1.CC3.O34.N56.C57 |
14216 | COc1ccc(S(=O)(=O)N2CCCCC2C)cc1 | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring1][S] | c13ccc(S4(=O)=O)cc1.N14CCCCC1C.CO3 |
14217 | CCOc1ccc(S(=O)(=O)NCc2ccccc2)c2cccnc12 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | c14ccc(S6(=O)=O)c2cccnc12.c17ccccc1.CC3.O34.N56.C57 |
14218 | O=C(NCc1ccccc1)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c16ccccc1.O=C35.N34.C46 |
14219 | O=C(NCc1cccc(Cl)c1)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c16cccc(Cl)c1.O=C35.N34.C46 |
14220 | O=C(NCc1ccccc1Cl)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c16ccccc1Cl.O=C35.N34.C46 |
14222 | O=C(NCc1ccc(F)cc1)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c16ccc(F)cc1.O=C35.N34.C46 |
14223 | O=C(NCc1cccnc1)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c16cccnc1.O=C35.N34.C46 |
14224 | c1ccc(COc2cccc(CNn3cnnc3)c2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][C][Branch1][#Branch2][C][N][N][C][=N][N][=C][Ring1][Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1] | c15cccc7c1.C7Nn1cnnc1.c1ccc6cc1.C46.O45 |
14225 | CCOC(=O)c1ccc(NCc2ccncc2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c17ccc6cc1.c18ccncc1.C37=O.CC4.O34.N56.C58 |
14226 | O=C(NCCc1ccccc1)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c16ccccc1.O=C35.C4C6.N34 |
14228 | O=C(NCCc1ccc(Cl)cc1)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c16ccc(Cl)cc1.O=C35.C4C6.N34 |
14229 | CC1CC(NC(=O)c2cnc3n(c2=O)CCS3)CC(C)(C)C1 | [C][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Branch1] | c16cnc2n(c1=O)CCS2.CC1CC5CC(C)(C)C1.C46=O.N45 |
14230 | CCOc1ccccc1NC(=O)c1c(OC)cccc1OC | [C][C][O][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] | c18c5cccc16.c14ccccc17.C28=O.CC3.O34.N27.O5C.O6C |
14231 | O=C(Nc1ccccc1)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c14ccccc1.O=C35.N34 |
14232 | Cc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.Cc1ccccc14.C35=O.N34 |
14233 | Cc1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c16cnc2n(c1=O)CCS2.Cc1cccc5c1.C46=O.N45 |
14234 | Cc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c16cnc2n(c1=O)CCS2.Cc1ccc5cc1.C46=O.N45 |
14235 | CCc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c16cnc2n(c1=O)CCS2.c17ccc5cc1.C46=O.CC7.N45 |
14236 | CCc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c16ccccc14.C35=O.CC6.N34 |
14238 | CC(C)c1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c16cnc2n(c1=O)CCS2.c17ccc5cc1.CC7C.C46=O.N45 |
14239 | O=C(Nc1ccc(F)cc1)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c14ccc(F)cc1.O=C35.N34 |
14240 | O=C(Nc1cccc(F)c1)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c14cccc(F)c1.O=C35.N34 |
14241 | O=C(Nc1ccccc1F)c1cnc2n(c1=O)CCS2 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c14ccccc1F.O=C35.N34 |
14242 | COc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c16cnc2n(c1=O)CCS2.c14ccccc15.C36=O.CO4.N35 |
14243 | COc1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c17cnc2n(c1=O)CCS2.c15cccc6c1.C47=O.CO5.N46 |
14244 | COc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c17cnc2n(c1=O)CCS2.c15ccc6cc1.C47=O.CO5.N46 |
14245 | CCOc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c18cnc2n(c1=O)CCS2.c16ccc7cc1.C48=O.CC5.O56.N47 |
14246 | CCOc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c17cnc2n(c1=O)CCS2.c15ccccc16.C37=O.CC4.O45.N36 |
14247 | CSc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c16ccccc14.C35=O.CS6.N34 |
14248 | O=C(Nc1cccc(C(F)(F)F)c1)c1cnc2n(c1=O)CCS2 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1] | c15cnc2n(c1=O)CCS2.c14cccc6c1.C6(F)(F)F.O=C35.N34 |
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