ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
19155 | CC(C)C(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N13CCN4CC1.c14ccc(F)cc1.CC(C)C3=O |
19156 | CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3F)coc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c15ccc2c(=O)c6coc2c1.c17ccccc1F.CC4=O.O45.O67 |
19157 | Cc1cc(NC(=O)C(C)C)ccc1Br | [C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][Ring1][N][Br] | Cc1cc3ccc1Br.C2(=O)C(C)C.N23 |
19158 | O=C(c1cc2c(ccc3ccccc32)oc1=O)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][Ring1][=C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c15cc2c(ccc3ccccc32)oc1=O.N14CCOCC1.O=C45 |
19159 | NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][P] | NS(=O)(=O)c1ccc(S3(=O)=O)cc1.c14ccccc1F.N34 |
19160 | CCN1C(=O)C(O)(CC(=O)c2ccc(N(C)C)cc2)c2ccccc21 | [C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | CCN1C(=O)C(O)(CC4=O)c2ccccc21.c14ccc3cc1.N3(C)C |
19161 | CCc1cc(=O)oc2cc(OCC(=O)OC)c(Cl)cc12 | [C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][=Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][C][Ring1][=N] | c16cc(=O)oc2cc5c(Cl)cc12.C4C3=O.CC6.O45.O3C |
19162 | COc1ccccc1OC(C)C(=O)NC1CCCCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | c14ccccc15.C16CCCCC1.C3(C)C2=O.CO4.O35.N26 |
19163 | NC(=O)c1sc2c(c1N)C(c1ccccc1Cl)CC(=O)N2 | [N][C][=Branch1][C][=O][C][S][C][=C][Branch1][Branch1][C][=Ring1][Branch1][N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][=Branch1][C][=O][N][Ring1][S] | c13sc2c(c1N)C(c1ccccc1Cl)CC(=O)N2.NC3=O |
19164 | O=S1(=O)C=C(N2CCOCC2)c2ccccc21 | [O][=S][=Branch1][C][=O][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | O=S1(=O)C=C(N2CCOCC2)c2ccccc21 |
19166 | Cc1cccc(N(Cc2ccncc2)Cc2ccncc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | Cc1cccc5c1.c16ccncc1.c17ccncc1.N345.C36.C47 |
19168 | O=C(Cn1cnc2ccccc2c1=O)OC1CCCCC1 | [O][=C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][O][C][C][C][C][C][C][Ring1][=Branch1] | n15cnc2ccccc2c1=O.C14CCCCC1.O=C3C5.O34 |
19169 | CCc1cc(=O)oc2cc(OC(C)C(C)=O)c(Cl)cc12 | [C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][O][O][C][Branch1][C][C][C][Branch1][C][C][=O][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][C][Ring1][=N] | c15cc(=O)oc2cc4c(Cl)cc12.C3(C)C(C)=O.CC5.O34 |
19170 | O=C(Nc1ccc(SC(F)F)cc1)C1COc2ccccc2O1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][S][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14ccc6cc1.S6C(F)F.O=C35.N34 |
19171 | COc1cc(C)nc(Oc2ccc(OCC(N)=O)nn2)n1 | [C][O][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][N][=N][Ring1][O][=N][Ring2][Ring1][Ring1] | c14cc(C)nc5n1.c16ccc7nn1.C3C(N)=O.CO4.O56.O37 |
19172 | NS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 | [N][S][=Branch1][C][=O][=Branch1][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][Ring1][P] | NS(=O)(=O)c1ccc(S4(=O)=O)cc1.c15ccccc1.N34.C35 |
19174 | Nc1c(C(=O)N2CCOCC2)sc2nc3c(cc12)CCC3 | [N][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][P][Ring1][=Branch1][C][C][C][Ring1][#Branch1] | Nc1c5sc2nc3c(cc12)CCC3.N14CCOCC1.C45=O |
19175 | COc1ccc(NC(=O)C2CCCN2C(=O)OC(C)(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1] | c17ccc8cc1.C19CCCN15.C6(C)(C)C.C49=O.C35=O.CO7.N48.O36 |
19176 | Cc1cccc(C)c1NC(=O)C1CCCN1C(=O)OC(C)(C)C | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] | Cc1cccc(C)c16.C17CCCN14.C5(C)(C)C.C37=O.C24=O.N36.O25 |
19177 | Cc1[nH]nc(-c2ccc(O)cc2O)c1Oc1ccccc1F | [C][C][NH1][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=Ring1][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccc(O)cc1O.Cc1[nH]nc5c13.c14ccccc1F.O34 |
19178 | CCC(NC(=O)c1cncc(Br)c1)c1ccccc1 | [C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cncc(Br)c1.c15ccccc1.CCC35.C24=O.N23 |
19179 | CC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P] | c17cccc(Cl)c1Cl.c15ccc6cc1.CC3=O.C47=O.N35.N46 |
19181 | COC(=O)CSc1nnc(SCc2ccccc2)s1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N] | c17nnc8s1.c16ccccc1.C3(=O)C4.CO3.S47.S58.C56 |
19182 | COCC(=O)Nc1ccc(Br)c(C)c1 | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][Branch2] | c14ccc(Br)c(C)c1.C3C2=O.CO3.N24 |
19183 | O=C(Nc1nnc(-c2cccnc2)s1)c1ccccc1F | [O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc1F.c14nnc6s1.c16cccnc1.O=C35.N34 |
19185 | CC(C)c1ccc(OCC(=O)NCc2ccccn2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c18ccc5cc1.c17ccccn1.C4C3=O.CC8C.O45.N36.C67 |
19186 | CCOC(=O)C1CCCN(C(=O)c2cccc(F)c2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][#C] | C16CCCN4C1.c17cccc(F)c1.C36=O.C47=O.CC5.O35 |
19188 | O=C(Nc1ccccc1F)c1ccc2nccnc2c1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2nccnc2c1.c14ccccc1F.O=C35.N34 |
19189 | CC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][=C][Ring1][P] | c15cccc6c1.c16nnc7o1.c17ccccc1.CC4=O.N45 |
19190 | Cc1nc2ccccn2c1C(=O)Nc1ccccc1 | [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][Ring1][=Branch1] | Cc1nc2ccccn2c15.c14ccccc1.C35=O.N34 |
19191 | Cc1ccc(OCC(=O)NCc2ccc(F)cc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][C] | Cc1ccc5cc1C.c17ccc(F)cc1.C4C3=O.O45.N36.C67 |
19192 | O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | O=S3(=O)c1ccc2c(c1)OCCO2.c14ccc(Cl)cc1.N34 |
19193 | CC1=CC(C)(C)N(C(=O)CSc2nnc(C)s2)c2ccccc21 | [C][C][=C][C][Branch1][C][C][Branch1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | CC1=CC(C)(C)N3c2ccccc21.c15nnc(C)s1.C3(=O)C4.S45 |
19194 | O=C(NC1CCCCC1)C1COc2ccccc2O1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.C14CCCCC1.O=C35.N34 |
19195 | COc1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] | c16ccc7cc1.N14CCN8CC1.c18ccc(F)cc1.C5C4=O.CO6.O57 |
19197 | CCC(Sc1nc2ccccc2o1)C(=O)Nc1cc(C)on1 | [C][C][C][Branch1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c16nc2ccccc2o1.CCC4C3=O.c15cc(C)on1.S46.N35 |
19198 | CC(C)c1ccc(OCC(=O)N2CCOCC2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc5cc1.N13CCOCC1.C4C3=O.CC6C.O45 |
19200 | CCCC(=O)Nc1ccc(NC(=O)c2cccnc2)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc6cc1.c17cccnc1.CCCC3=O.C47=O.N35.N46 |
19202 | COc1ccc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | S7(=O)(=O)c1ccc4c5c1.c13ccc8cc1.CO3.C68.N67.O4C.O5C |
19203 | CC(=O)Oc1ccccc1C(=O)NCCc1ccc(F)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccccc16.c17ccc(F)cc1.CC2=O.C36=O.C5C7.O24.N35 |
19204 | COCC(=O)Nc1cc(Cl)c(Cl)cc1Cl | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl] | c14cc(Cl)c(Cl)cc1Cl.C3C2=O.CO3.N24 |
19205 | COc1ccc(NC(=O)Nc2ccc3nccnc3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c18ccc2nccnc2c1.c16ccc7cc1.C45=O.CO6.N47.N58 |
19207 | O=C(Nc1ccc2nccnc2c1)N1CCCCC1 | [O][=C][Branch1][S][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1] | c15ccc2nccnc2c1.N14CCCCC1.O=C34.N35 |
19208 | CCOC(=O)C1CCN(C(=O)Nc2ccc3nccnc3c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1] | c18ccc2nccnc2c1.C19CCN5CC1.C49=O.C56=O.CC7.O47.N68 |
19210 | Cc1ccnc(SCC(=O)N2CCc3ccccc3C2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring2][Ring1][Ring2] | N14CCc2ccccc2C1.Cc1ccnc6n1.C5C4=O.S56 |
19211 | CCc1ccc(C(C)NC(=O)c2ccccn2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc7cc1.c15ccccn1.C47C.C35=O.CC6.N34 |
19212 | COCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c15ccc(S(N)(=O)=O)cc1.C3C2=O.C4C5.CO3.N24 |
19213 | COCC(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N13CCN5CC1.c15ccc(F)cc1.C4C3=O.CO4 |
19214 | CCCC(=O)Nc1cccc(NC(=O)c2cccnc2)c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C] | c15cccc6c1.c17cccnc1.CCCC3=O.C47=O.N35.N46 |
19215 | CCOc1ccc(S(=O)(=O)N(CC(N)=O)c2ccccc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c14ccc(S6(=O)=O)cc1.c17ccccc1.C5C(N)=O.N567.CC3.O34 |
19216 | COC(=O)C(CC(C)C)NC(=O)c1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C2(=O)C4CC(C)C.c15ccc(F)cc1.C35=O.CO2.N34 |
19217 | Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc5cc1.c17nnc(C)n16.c16ccccc1.C3(=O)C4.N35.S47 |
19218 | CC(C)c1ccc(OCC(=O)Nc2ccncc2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c17ccc5cc1.c16ccncc1.C4C3=O.CC7C.O45.N36 |
19219 | Cc1ccc(OCC(=O)NCc2ccncc2)cc1C | [C][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C] | Cc1ccc5cc1C.c17ccncc1.C4C3=O.O45.N36.C67 |
19220 | Cc1ccc(C(=O)CSc2nnc(C)s2)c(C)c1 | [C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][P] | Cc1ccc4c(C)c1.c15nnc(C)s1.C4(=O)C3.S35 |
19221 | CCOC(=O)c1c(C)n(CC)c2ccc(OC)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Ring1][Branch2] | c16c(C)n7c2ccc5cc12.C36=O.CC4.O34.C7C.O5C |
19224 | CSc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.c16ccccc15.C35=O.CS6.N34 |
19225 | CCC(C(=O)Nc1nc(C)cs1)c1ccccc1 | [C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | CCC4C2=O.c13nc(C)cs1.c14ccccc1.N23 |
19228 | CC(C)c1ccc(OCC(=O)Nc2cccnc2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P] | c17ccc5cc1.c16cccnc1.C4C3=O.CC7C.O45.N36 |
19229 | COC(=O)C(CC(C)C)NC(=O)c1ccc(C)c(C)c1 | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2] | C2(=O)C4CC(C)C.c15ccc(C)c(C)c1.C35=O.CO2.N34 |
19230 | Cc1ccc(OCC(=O)Nc2ccc(NCc3cccnc3)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][=Branch2] | Cc1ccc6cc1.c18ccc9cc1.c1%10cccnc1.C5C4=O.O56.N48.N79.C7%10 |
19231 | Cc1ccc2c(c1)C(O)(CC(=O)c1cccc3ccccc13)C(=O)N2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1] | Cc1ccc2c(c1)C(O)(CC4=O)C(=O)N2.c14cccc2ccccc12 |
19232 | CCC(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C | [C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][=N][C] | c14ccc2c(C)c(C)c(=O)oc2c1C.CCC3=O.O34 |
19233 | Cc1cccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccccc2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][=N][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][C] | S5(=O)(=O)c1ccccc1.Cc1cccc6c1C.C4C3=O.N456.N3(C)C |
19234 | CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c16ccc(S5(=O)=O)cc1.c17ccc(F)cc1.CC3=O.C4C7.N36.N45 |
19235 | Cc1ccc(Nc2nc3nonc3n3cnnc23)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][C][=N][N][=C][Ring1][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1][C] | c14nc2nonc2n2cnnc12.Cc1ccc5cc1C.N45 |
19236 | CCOC(=O)c1ccc(Nc2nc3nonc3nc2N)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][=C][Ring1][=Branch2][N][C][=C][Ring1][P] | c16nc2nonc2nc1N.c18ccc7cc1.C48=O.CC5.O45.N67 |
19237 | CC(=O)Nc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c16ccc(C)c(C)c1.c17ccc8cc1.C4(=O)C5.CC3=O.N37.N48.O56 |
19239 | NS(=O)(=O)c1ccc(CNC(=O)CSc2ccccc2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | NS(=O)(=O)c1ccc6cc1.c17ccccc1.C3(=O)C5.C46.N34.S57 |
19240 | Cc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S4(=O)=O)cc1.c15ccc(F)cc1.C3C5.N34 |
19241 | Cc1cc(C)c(C#N)c(SCC(=O)NCc2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Cc1cc(C)c(C#N)c7n1.c16ccccc1.C5C3=O.S57.N34.C46 |
19242 | N#Cc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(F)c1 | [N][#C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][C][Branch1][C][F][=C][Ring2][Ring1][Ring2] | N#Cc1ccc5c(F)c1.N15CCN4CC1.c16cccs1.C46=O |
19243 | Cc1cc(C)c(O)c(NC(=O)c2ccc3c(c2)OCCO3)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][C][O][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | c16ccc2c(c1)OCCO2.Cc1cc5c(O)c(C)c1.C46=O.N45 |
19244 | O=C(Cc1cccs1)N1CCN(c2ccccc2F)CC1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] | N13CCN4CC1.c14ccccc1F.c15cccs1.O=C3C5 |
19245 | COc1ccc(CNC(=O)COc2ccc(C)c(C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c16ccc(C)c(C)c1.c15ccc8cc1.C3(=O)C4.CO5.C78.N37.O46 |
19247 | CC(=O)Oc1ccc2oc(=O)c3c(c2c1)CCCN3 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][N][Ring1][Branch2] | c15ccc2oc(=O)c3c(c2c1)CCCN3.CC4=O.O45 |
19248 | O=C(CSc1ncnc2sc3c(c12)CCCC3)N1CCCCC1 | [O][=C][Branch2][Ring1][Branch2][C][S][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c16ncnc2sc3c(c12)CCCC3.N14CCCCC1.O=C4C5.S56 |
19249 | Cc1nn(C(=O)c2nn(C)cc2Cl)c(C)c1Cl | [C][C][=N][N][Branch1][S][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][C][=C][Ring1][#C][Cl] | Cc1nn(C3=O)c(C)c1Cl.c13nn(C)cc1Cl |
19250 | CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(N)=O)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c16ccccc1Cl.c14ccc5cc1.CS3(=O)=O.N234.C5(N)=O.C26 |
19252 | Cc1nn(C(=O)Cc2ccc(F)cc2)c(C)c1Br | [C][C][=N][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][S][Br] | Cc1nn(C(=O)C3)c(C)c1Br.c13ccc(F)cc1 |
19254 | Cc1nn(C(=O)c2nn(C)cc2Br)c(C)c1Cl | [C][C][=N][N][Branch1][S][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Br][C][Branch1][C][C][=C][Ring1][#C][Cl] | Cc1nn(C3=O)c(C)c1Cl.c13nn(C)cc1Br |
19255 | COc1ccc(NC(=O)c2ccccc2SC)cc1OC | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][Ring1][P][O][C] | c14ccc6cc15.c17ccccc18.C37=O.CO4.N36.S8C.O5C |
19257 | COC(=O)c1cc(NC(=O)Cc2ccc(F)cc2)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch1] | c17cc6cc8c1.c19ccc(F)cc1.C5(=O)C9.C37=O.C48=O.CO3.N56.O4C |
19258 | CCOC(=O)N1CCN(C(=O)COc2ccc(C(C)C)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1] | N14CCN5CC1.c18ccc9cc1.C5(=O)C7.C34=O.C9(C)C.CC6.O36.O78 |
19260 | Cc1onc(-c2ccccc2)c1C(=O)NC1CCCCC1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | Cc1onc6c15.c16ccccc1.C14CCCCC1.C35=O.N34 |
19261 | CCN(CC)C(=O)CSc1nc2ccccc2s1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c17nc2ccccc2s1.C3(=O)C6.N345.CC4.C5C.S67 |
19262 | CCc1nnc(NC(=O)CSc2nc3ccccc3s2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][S][Ring2][Ring1][Ring1] | c18nc2ccccc2s1.c17nnc6s1.C4(=O)C5.CC7.N46.S58 |
19263 | COc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C#N | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][#N] | c16nc(C)cc(C)c1C#N.c13ccccc15.C2(=O)C4.CO3.N25.S46 |
19264 | COC(=O)C(CC(C)C)NC(=O)c1cccs1 | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | C2(=O)C4CC(C)C.c15cccs1.C35=O.CO2.N34 |
19265 | Cn1ccnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Ring1][=Branch2] | c15sc2c(c16)CCC2.Cn1ccnc17.C4C3=O.C6(N)=O.S47.N35 |
19266 | Cc1nnc(SCC(=O)Nc2nccs2)s1 | [C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][S][Ring1][#C] | Cc1nnc6s1.c15nccs1.C4C3=O.S46.N35 |
19268 | Cc1cc(NC(=O)COc2ccccc2Cl)no1 | [C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][Ring1][P] | c15ccccc1Cl.Cc1cc6no1.C3(=O)C4.N36.O45 |
19269 | Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)no1 | [C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1][=N][O][Ring2][Ring1][=Branch1] | n16nc7c2c1CCCC2.Cc1cc5no1.C4(=O)C6.C7(F)(F)F.N45 |
19272 | O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1ccco1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Branch1][N][C][C][=C][C][=C][O][Ring1][Branch1] | n15nc6c2c1CCC2.c17ccco1.O=C3C5.C6(F)(F)F.N34.C47 |
19273 | Cc1nccn1CC(O)COc1ccc(Cl)cc1 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13ccc(Cl)cc1.Cc1nccn14.C4C(O)C2.O23 |
19275 | O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1ccc(F)cc1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | n15nc6c2c1CCC2.c17ccc(F)cc1.O=C3C5.C6(F)(F)F.N34.C47 |
19276 | O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NC1CCCCC1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] | n15nc6c2c1CCC2.C14CCCCC1.O=C3C5.C6(F)(F)F.N34 |
19277 | O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1ccccc1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15nc6c2c1CCC2.c17ccccc1.O=C3C5.C6(F)(F)F.N34.C47 |
19278 | O=C(CSc1ccccc1)Nc1ccc(F)c(F)c1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c14ccc(F)c(F)c1.c15ccccc1.O=C2C3.S35.N24 |
19279 | O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1cccs1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Branch1][N][C][C][=C][C][=C][S][Ring1][Branch1] | n15nc6c2c1CCC2.c17cccs1.O=C3C5.C6(F)(F)F.N34.C47 |
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