ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
8130 | CCOC(=O)c1c(NS(C)(=O)=O)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][S][C][Branch1][C][C][=C][Ring1][O][C] | c16c5sc(C)c1C.S4(C)(=O)=O.C26=O.CC3.O23.N45 |
8131 | Cc1cc(C)n(CCS(=O)(=O)c2ccc(Cl)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring2][Ring1][C] | C3CS(=O)(=O)c1ccc(Cl)cc1.Cc1cc(C)n3n1 |
8132 | O=c1c(Cl)c(Cl)cnn1Cc1ccccc1 | [O][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=N][N][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c(Cl)c(Cl)cnn12.c13ccccc1.C23 |
8133 | CCOC(=O)c1c(C)nsc1NC(=O)Oc1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][S][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c18c(C)nsc17.c16ccccc1.C28=O.C34=O.CC5.O25.N47.O36 |
8134 | CCOC(=O)c1c(N(C)S(C)(=O)=O)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][S][C][Branch1][C][C][=C][Ring1][N][C] | c16c5sc(C)c1C.S4(C)(=O)=O.C26=O.N45C.CC3.O23 |
8135 | CCc1cc2c(Nc3ccncc3)ncnc2s1 | [C][C][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][N][=C][Ring1][=N][S][Ring1][S] | c16cc2c4ncnc2s1.c15ccncc1.CC6.N45 |
8136 | Cc1cc(-c2ccccc2)nc(SCC(=O)N2CCOCC2)n1 | [C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | Cc1cc6nc5n1.c16ccccc1.N13CCOCC1.C4C3=O.S45 |
8137 | Cc1nnc(SCC(=O)c2ccc(Br)cc2)s1 | [C][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][Ring1][S] | c14ccc(Br)cc1.Cc1nnc5s1.C3C4=O.S35 |
8138 | COc1ccc(C(=O)CSc2nnc(C)s2)cc1 | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring1][S] | c13ccc5cc1.c16nnc(C)s1.C5(=O)C4.CO3.S46 |
8139 | COc1ccc(C(=O)CSc2nnnn2C)cc1 | [C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][Ring1][S] | c13ccc5cc1.c16nnnn1C.C5(=O)C4.CO3.S46 |
8140 | O=C(CSc1ncnc2ccccc12)c1ccccc1 | [O][=C][Branch1][P][C][S][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ncnc2ccccc12.c14ccccc1.O=C4C3.S35 |
8141 | CCOC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][N][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][=Ring1][#Branch2][C][C][C][C][Ring1][#Branch2] | c16sc2nc3n(c(=O)c2c1C)CCC3.C46=O.CC5.O45 |
8142 | CCOC(=O)c1sc2ncn(-n3cccc3)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][=Ring1][#C][C] | c16sc2ncn(-n3cccc3)c(=O)c2c1C.C46=O.CC5.O45 |
8143 | c1nc(N2CCOCC2)c2c3c(sc2n1)CCCC3 | [C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][#C][C][C][C][C][Ring1][=Branch2] | c1nc4c2c3c(sc2n1)CCCC3.N14CCOCC1 |
8144 | O=c1c2c(-c3ccccc3)csc2ncn1-n1cccc1 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][C][=Ring1][O][N][=C][N][Ring1][#C][N][C][=C][C][=C][Ring1][Branch1] | O=c1c2c4csc2ncn1-n1cccc1.c14ccccc1 |
8145 | CCOC(=O)c1c(NC(C)=O)sc2c1CCCNC2=O | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=C][Ring1][=Branch2][C][C][C][N][C][Ring1][#Branch1][=O] | c17c6sc2c1CCCNC2=O.C37=O.C4(C)=O.CC5.O35.N46 |
8146 | CCOC(=O)C1CCCn2c1nc1sc3c(c1c2=O)CCCC3 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][C][Ring1][=Branch1][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2] | C4(=O)C1CCCn2c1nc1sc3c(c1c2=O)CCCC3.CC5.O45 |
8147 | O=c1c2c(-c3ccccc3)csc2nc2n1CCC2 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][C][=Ring1][O][N][=C][N][Ring1][#C][C][C][C][Ring1][Branch1] | O=c1c2c4csc2nc2n1CCC2.c14ccccc1 |
8148 | O=C1CCCc2c1sc1nc3n(c(=O)c21)CCCCC3 | [O][=C][C][C][C][C][=C][Ring1][=Branch1][S][C][N][=C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Ring1][#Branch2][=Ring1][#Branch1][C][C][C][C][C][Ring1][#Branch2] | O=C1CCCc2c1sc1nc3n(c(=O)c21)CCCCC3 |
8149 | O=c1c2c3c(sc2nc2n1CCCCC2)CCCC3 | [O][=C][C][C][=C][Branch1][P][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][C][C][C][C][C][Ring1][#Branch1][C][C][C][C][Ring1][S] | O=c1c2c3c(sc2nc2n1CCCCC2)CCCC3 |
8150 | O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)cc1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(F)cc1.c16nnnn15.c15ccccc1.O=C2C3.S36.N24 |
8151 | CC1C(=O)N(C)c2ccc(S(=O)(=O)N3CCOCC3)cc21 | [C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][Ring2][Ring1][Ring2] | CC1C(=O)N(C)c2ccc(S4(=O)=O)cc21.N14CCOCC1 |
8152 | Cc1nc(N2CC(C)OC(C)C2)c2c3c(sc2n1)CCCC3 | [C][C][=N][C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][P][C][C][C][C][Ring1][=Branch2] | Cc1nc4c2c3c(sc2n1)CCCC3.N14CC(C)OC(C)C1 |
8153 | O=S(=O)(NCc1cccs1)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S3(=O)c1ccccc1.c14cccs1.N23.C24 |
8154 | COC(=O)C12CC3CC(CC(C(=O)OC)(C1)C3=O)C2=O | [C][O][C][=Branch1][C][=O][C][C][C][C][C][Branch2][Ring1][Ring2][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][Ring2][C][Ring1][N][C][Ring1][O][=O][C][Ring1][#C][=O] | C126CC3CC(CC7(C1)C3=O)C2=O.C46=O.C57=O.CO4.O5C |
8155 | NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#C] | NS(=O)(=O)c1ccc6s1.c15ccccc1.C35=O.C46.N34 |
8156 | O=S(=O)(Nc1cccnc1)c1ccc2c(c1)OCCO2 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][N][=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.c14cccnc1.N34 |
8157 | NC(=O)c1cnn(-c2ccc3ccccc3c2)c1N | [N][C][=Branch1][C][=O][C][C][=N][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Ring1][#C][N] | c15ccc2ccccc2c1.c14cnn5c1N.NC4=O |
8158 | CCC(C)NC(=O)CSc1ccc(Cl)cc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.CCC3C.C2(=O)C4.N23.S45 |
8159 | CC(C)(C)NC(=O)CSc1ccc(Cl)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.CC3(C)C.C2(=O)C4.N23.S45 |
8160 | COc1ccc2c(C)cc(SCC(=O)NCc3ccco3)nc2c1 | [C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2c(C)cc9nc2c1.c18ccco1.C7C4=O.CO5.S79.N46.C68 |
8161 | Cn1nc(C2CC2)cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 | [C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] | Cn1nc8cc16.c17ccc5cc1.O5C(F)(F)F.C18CC1.C34=O.N36.N47 |
8162 | Cc1nc(N2CC(C)OC(C)C2)c2c3c(sc2n1)CCC3 | [C][C][=N][C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][P][C][C][C][Ring1][Branch2] | Cc1nc4c2c3c(sc2n1)CCC3.N14CC(C)OC(C)C1 |
8163 | O=c1c(Cl)c(NCc2ccco2)cnn1-c1ccccc1 | [O][=C][C][Branch1][C][Cl][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=N][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c(Cl)c4cnn16.c16ccccc1.c15ccco1.N34.C35 |
8164 | CCOC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][Ring1][Branch1] | c17c6sc2c1CCC2.c18cccnc1.C37=O.C48=O.CC5.O35.N46 |
8166 | Cc1ccc(NC(=O)CCn2cccc(C(F)(F)F)c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][=Branch1] | n15cccc6c1=O.Cc1ccc4cc1.C3(=O)CC5.C6(F)(F)F.N34 |
8168 | COc1ccc(-c2csc3ncn(N)c(=O)c23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][S][C][N][=C][N][Branch1][C][N][C][=Branch1][C][=O][C][Ring1][O][=Ring1][Branch2][C][=C][Ring1][P][O][C] | c16csc2ncn(N)c(=O)c12.c14ccc6cc15.CO4.O5C |
8169 | CSc1nc(N)nc(CSc2ccc(Cl)cc2)n1 | [C][S][C][=N][C][Branch1][C][N][=N][C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][S] | c15nc4nc(N)n1.c16ccc(Cl)cc1.CS5.C34.S36 |
8170 | CSc1nc(N)nc(CSc2ccc(C)cc2)n1 | [C][S][C][=N][C][Branch1][C][N][=N][C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][S] | c15nc4nc(N)n1.c16ccc(C)cc1.CS5.C34.S36 |
8171 | Cc1nc(N)nc(CSc2ccc(Cl)cc2)n1 | [C][C][=N][C][Branch1][C][N][=N][C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][S] | Cc1nc4nc(N)n1.c15ccc(Cl)cc1.C34.S35 |
8172 | CCOc1cc(C2NC(=O)c3ccccc3N2)ccc1O | [C][C][O][C][=C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][=C][C][=C][Ring1][P][O] | C16NC(=O)c2ccccc2N1.c15cc6ccc1O.CC4.O45 |
8174 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(SC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2] | C2(=O)C1=C(C)NC(=O)NC14.c14ccc3cc1.CO2.S3C |
8175 | Cc1cc(-c2nc(COc3ccc(Cl)cc3Cl)no2)no1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=N][C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][O][Ring1][#C][=N][O][Ring2][Ring1][Ring2] | c15ccc(Cl)cc1Cl.Cc1cc7no1.c17nc6no1.C46.O45 |
8176 | CCOC(=O)C1=C(C)NC(=O)NC1c1cccc(Cl)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)NC14.c14cccc(Cl)c1.CC3.O23 |
8177 | CC1=C(C(=O)OCC(F)(F)F)C(c2ccc(F)cc2)NC(=O)N1 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C5NC(=O)N1.c15ccc(F)cc1.C4C(F)(F)F.O34 |
8178 | Cn1c(=O)[nH]c(=O)c2ncn(CC(=O)C(C)(C)C)c21 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][N][=C][N][Branch1][=C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][N][Ring2][Ring1][C] | Cn1c(=O)[nH]c(=O)c2ncn3c21.C3C(=O)C(C)(C)C |
8180 | COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C | [C][O][C][=Branch1][C][=O][C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C] | c15c(Cl)cccc1Cl.c14c5noc1C.C34=O.CO3 |
8181 | COc1cccc(C2NC(=O)NC(C)=C2C(=O)OC2CCCC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][=Branch1] | C16NC(=O)NC(C)=C1C3=O.c15cccc6c1.C14CCCC1.CO5.O34 |
8182 | Cc1ccc(C(=O)Nc2ncn(Cc3ccccc3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][N][C][=C][Ring2][Ring1][Branch1] | Cc1ccc6cc1.c15ncn7n1.c18ccccc1.C46=O.N45.C78 |
8183 | CSc1nc(CSc2ccccc2)nc(N)c1C#N | [C][S][C][=N][C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][C][N][=C][Ring1][#C][C][#N] | c15nc4nc(N)c1C#N.c16ccccc1.CS5.C34.S36 |
8184 | CCOC(=O)COc1ccc2c(=O)c(-c3ccccn3)coc2c1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring1][P] | c17ccc2c(=O)c8coc2c1.c18ccccn1.C4(=O)C6.CC5.O45.O67 |
8185 | CSc1nc(CSc2ccc(C)cc2)nc(N)c1C#N | [C][S][C][=N][C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][Branch1][C][N][=C][Ring1][S][C][#N] | c15nc4nc(N)c1C#N.c16ccc(C)cc1.CS5.C34.S36 |
8186 | CSc1nc(CSc2ccc(Cl)cc2)nc(N)c1C#N | [C][S][C][=N][C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Branch1][C][N][=C][Ring1][S][C][#N] | c15nc4nc(N)c1C#N.c16ccc(Cl)cc1.CS5.C34.S36 |
8187 | Nc1nc(SC2c3ccccc3-c3ccccc32)n[nH]1 | [N][C][=N][C][Branch2][Ring1][Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][=N][NH1][Ring2][Ring1][Ring1] | S4C1c2ccccc2-c2ccccc21.Nc1nc4n[nH]1 |
8188 | Cc1cc(-c2nnc(SCC(=O)c3ccccc3)n2C)no1 | [C][C][=C][C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C][C][=N][O][Ring2][Ring1][Branch1] | c17nnc6n1C.Cc1cc7no1.c15ccccc1.C4C5=O.S46 |
8191 | COc1ccc(C2NC(=O)NC(C)=C2C(=O)OCC(F)(F)F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][=Branch1] | C16NC(=O)NC(C)=C1C3=O.c15ccc6cc1.C4C(F)(F)F.CO5.O34 |
8192 | Cc1cc(-c2nnc(SCC(=O)Nc3ccccc3)n2C)no1 | [C][C][=C][C][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S][C][=N][O][Ring2][Ring1][=Branch1] | c18nnc7n1C.Cc1cc8no1.c16ccccc1.C5C4=O.S57.N46 |
8193 | CCOC(=O)c1cc(C)nc(Sc2ccc(NC(C)=O)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][C][S][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][C] | c17cc(C)nc8n1.c19ccc6cc1.C37=O.C4(C)=O.CC5.O35.S89.N46 |
8194 | COc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCC1CCCO1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][C][O][Ring1][Branch1] | C16NC(=O)NC(C)=C1C2=O.c14ccccc16.C15CCCO1.CO4.O23.C35 |
8195 | COC(=O)c1cc(C)nc(Sc2ccccc2N)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][Branch1][O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][#C] | c14cc(C)nc5n1.c16ccccc1N.C34=O.CO3.S56 |
8196 | COC(=O)c1cc(C)nc(Sc2ccccc2NC(C)=O)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][Branch1][S][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O][=N][Ring2][Ring1][C] | c16cc(C)nc7n1.c18ccccc15.C36=O.C4(C)=O.CO3.S78.N45 |
8197 | COc1ccc(C2NC(=O)NC(C)=C2C(=O)OCC2CCCO2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] | C17NC(=O)NC(C)=C1C3=O.c15ccc7cc1.C16CCCO1.CO5.O34.C46 |
8198 | Cc1ccc(NC(=O)CCn2cc(C(F)(F)F)ccc2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][=Branch1] | n15cc6ccc1=O.Cc1ccc4cc1.C3(=O)CC5.C6(F)(F)F.N34 |
8199 | O=C(CCn1cc(C(F)(F)F)ccc1=O)Nc1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][=Branch1][C][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | n14cc5ccc1=O.c13ccc(Cl)cc1.O=C2CC4.C5(F)(F)F.N23 |
8200 | CC1=C(C(=O)OCC2CCCO2)C(c2ccccc2)NC(=O)N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][C][C][C][C][O][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C6NC(=O)N1.c16ccccc1.C15CCCO1.O34.C45 |
8202 | O=c1c(C(F)(F)F)cccn1Cc1ccc(Cl)cc1 | [O][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=c1c3cccn12.c14ccc(Cl)cc1.C3(F)(F)F.C24 |
8203 | Cc1ccc(Cn2cccc(C(F)(F)F)c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C] | n13cccc5c1=O.Cc1ccc4cc1.C5(F)(F)F.C34 |
8204 | CC1=C(C(=O)OC(C)C)C(c2ccc(C)cc2)NC(=O)N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2] | CC1=C(C3=O)C5NC(=O)N1.c15ccc(C)cc1.C4(C)C.O34 |
8205 | O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccccc1 | [O][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n14cccc5c1=O.c13ccccc1.O=C2C4.C5(F)(F)F.N23 |
8207 | O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1cccc(Cl)c1 | [O][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | n14cccc5c1=O.c13cccc(Cl)c1.O=C2C4.C5(F)(F)F.N23 |
8208 | CC(C)c1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Branch1] | n15cccc7c1=O.c16ccc4cc1.C3(=O)C5.C7(F)(F)F.CC6C.N34 |
8209 | CCOc1cc(C2NC(=O)NC(C)=C2C(=O)OC(C)C)ccc1O | [C][C][O][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring2][O] | C17NC(=O)NC(C)=C1C3=O.c16cc7ccc1O.C5(C)C.CC4.O46.O35 |
8210 | O=C(Cn1cccc(C(F)(F)F)c1=O)c1ccccc1 | [O][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n13cccc4c1=O.c12ccccc1.O=C2C3.C4(F)(F)F |
8211 | COc1cccc(C2NC(=O)NC(C)=C2C(=O)OCC(C)C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch1] | C16NC(=O)NC(C)=C1C3=O.c15cccc6c1.C4C(C)C.CO5.O34 |
8212 | COc1cccc(C2NC(=O)NC(C)=C2C(=O)OC(C)C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2] | C16NC(=O)NC(C)=C1C3=O.c15cccc6c1.C4(C)C.CO5.O34 |
8213 | CCc1ccc(C2NC(=O)NC(C)=C2C(=O)OC)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][C] | C15NC(=O)NC(C)=C1C3=O.c14ccc5cc1.CC4.O3C |
8214 | COC(=O)C1=C(C)NC(=O)CC1c1ccccc1C(F)(F)F | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | C2(=O)C1=C(C)NC(=O)CC14.c14ccccc13.C3(F)(F)F.CO2 |
8215 | COc1cc(C2N(C)c3ccccc3N2C)ccc1O | [C][O][C][=C][C][Branch2][Ring1][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][=C][Ring1][P][O] | C15N(C)c2ccccc2N1C.c14cc5ccc1O.CO4 |
8216 | Cc1ccc(Cn2c(C)cc(C)c(C#N)c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C] | n13c(C)cc(C)c(C#N)c1=O.Cc1ccc4cc1.C34 |
8217 | Cc1cc(C)n(Cc2ccc(Cl)cc2)c(=O)c1C#N | [C][C][C][=C][Branch1][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][S][C][#N] | Cc1cc(C)n3c(=O)c1C#N.c14ccc(Cl)cc1.C34 |
8218 | CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccc(O)c(OC)c1 | [C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] | C2(=O)C1=C(C)NC(=O)NC15.c15ccc(O)c4c1.CCC3C.O23.O4C |
8222 | O=c1oc2cccnc2n1Cc1ccc(Cl)cc1 | [O][=C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=c1oc2cccnc2n13.c14ccc(Cl)cc1.C34 |
8223 | CCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OC(C)C | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][C] | C16NC(=O)NC(C)=C1C2=O.c15ccccc16.C4(C)C.CC3.O35.O24 |
8224 | O=C(Cn1c(=O)oc2cccnc21)Nc1ccccc1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c(=O)oc2cccnc21.c14ccccc1.O=C3C5.N34 |
8225 | CC(C)c1ccc(NC(=O)Cn2c(=O)oc3cccnc32)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | n16c(=O)oc2cccnc21.c17ccc5cc1.C4(=O)C6.CC7C.N45 |
8226 | O=C(Cn1c(=O)oc2cccnc21)Nc1cccc(Cl)c1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | n15c(=O)oc2cccnc21.c14cccc(Cl)c1.O=C3C5.N34 |
8227 | CC1=C(C(=O)OC(C)C)C(c2ccccc2OC(C)C)NC(=O)N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1] | CC1=C(C3=O)C7NC(=O)N1.c17ccccc16.C4(C)C.C5(C)C.O34.O56 |
8228 | O=C(Cn1c(=O)oc2cccnc21)Nc1ccc(C(F)(F)F)cc1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] | n15c(=O)oc2cccnc21.c14ccc6cc1.O=C3C5.C6(F)(F)F.N34 |
8229 | CCOc1cc(C2NC(=O)NC(C)=C2C(=O)OC)ccc1O | [C][C][O][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][Ring2][Ring1][C][O] | C16NC(=O)NC(C)=C1C3=O.c15cc6ccc1O.CC4.O45.O3C |
8230 | COC(=O)COc1ccc2c(=O)c(Oc3ccccc3)coc2c1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][O][C][Ring1][=C][=C][Ring2][Ring1][C] | c16ccc2c(=O)c7coc2c1.c18ccccc1.C4(=O)C5.CO4.O56.O78 |
8232 | O=C(Cn1c(=O)oc2cccnc21)c1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | n14c(=O)oc2cccnc21.c13ccc(Cl)cc1.O=C3C4 |
8233 | Cc1nnsc1C(=O)N1CCC(C(F)(F)F)CC1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2] | N12CCC4CC1.Cc1nnsc13.C4(F)(F)F.C23=O |
8234 | N#Cc1cccc(Cn2cc(C(F)(F)F)ccc2=O)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][C] | N#Cc1cccc4c1.n13cc5ccc1=O.C5(F)(F)F.C34 |
8236 | N#Cc1cccc(Cn2c(=O)oc3ccccc32)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring1][P] | n14c(=O)oc2ccccc21.N#Cc1cccc5c1.C45 |
8237 | CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccccc1OC | [C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | C2(=O)C1=C(C)NC(=O)NC15.c15ccccc14.CCC3C.O23.O4C |
8238 | CCOC(=O)c1cc(C)nn1Cc1ccc(Cl)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14cc(C)nn15.c16ccc(Cl)cc1.C24=O.CC3.O23.C56 |
8239 | N#Cc1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F | [N][#C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | N#Cc1cnn6c14.c15ccccc1F.c16ccccc1.C35=O.N34 |
8240 | CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(C)cc1)CCC2 | [C][C][=Branch1][C][=O][N][C][S][C][=C][Branch2][Ring1][Ring2][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C][Ring1][S] | c15sc2c(c17)CCC2.c16ccc(C)cc1.CC3=O.C47=O.N35.N46 |
8241 | CCOc1ccc(NC(=O)c2c(NC(C)=O)sc3c2CCC3)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=C][Ring1][=Branch2][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | c1%10c8sc2c1CCC2.c17ccc9cc1.C4%10=O.C5(C)=O.CC6.O67.N49.N58 |
8242 | COc1ccc(NC(=O)c2c(NC(C)=O)sc3c2CCC3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=C][Ring1][=Branch2][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | c19c7sc2c1CCC2.c16ccc8cc1.C49=O.C5(C)=O.CO6.N48.N57 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.