ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
29102 | CCCN1Cc2cccc(C(=O)Nc3ccc(F)cc3)c2C1=O | [C][C][C][N][C][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S][C][Ring2][Ring1][Ring1][=O] | N17Cc2cccc6c2C1=O.c15ccc(F)cc1.CCC7.C46=O.N45 |
29103 | CCCN1Cc2cccc(C(=O)NCc3ccc(OC)cc3)c2C1=O | [C][C][C][N][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][C][C][Ring2][Ring1][Branch1][=O] | N18Cc2cccc7c2C1=O.c19ccc5cc1.CCC8.C47=O.N46.C69.O5C |
29104 | CCCN1Cc2cccc(C(=O)Nc3ccc(OCC)cc3)c2C1=O | [C][C][C][N][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][C][C][Ring2][Ring1][Branch1][=O] | N19Cc2cccc8c2C1=O.c17ccc6cc1.CCC9.C48=O.N47.O56.C5C |
29105 | CCCN1Cc2cccc(C(=O)NCc3ccccc3OC)c2C1=O | [C][C][C][N][C][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][C][C][Ring2][Ring1][Branch1][=O] | N18Cc2cccc7c2C1=O.c19ccccc15.CCC8.C47=O.N46.C69.O5C |
29106 | CCCN1Cc2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2C1=O | [C][C][C][N][C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][C][C][Ring2][Ring1][Branch1][=O] | N18Cc2cccc7c2C1=O.c16ccc2c(c1)OCO2.CCC8.C57=O.N56 |
29107 | CCCN1Cc2cccc(C(=O)Nc3ccc(C)cc3)c2C1=O | [C][C][C][N][C][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][S][C][Ring2][Ring1][Ring1][=O] | N17Cc2cccc6c2C1=O.c15ccc(C)cc1.CCC7.C46=O.N45 |
29108 | CCCN1Cc2cccc(C(=O)Nc3ccccc3OC)c2C1=O | [C][C][C][N][C][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][P][C][Ring2][Ring1][Ring2][=O] | N18Cc2cccc7c2C1=O.c16ccccc15.CCC8.C47=O.N46.O5C |
29109 | CC1CCCN(C(=O)c2cc3c(=O)[nH]c4ccccc4c3s2)C1 | [C][C][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][S][Ring1][=C][C][Ring2][Ring1][=Branch1] | c16cc2c(=O)[nH]c3ccccc3c2s1.CC1CCCN5C1.C56=O |
29110 | COC(=O)CNC(=O)c1cc2c(=O)[nH]c3ccccc3c2s1 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][S][Ring1][=C] | c17cc2c(=O)[nH]c3ccccc3c2s1.C4(=O)C6.C57=O.CO4.N56 |
29111 | CC(C)CCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2s1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][S][Ring1][=C] | c16cc2c(=O)[nH]c3ccccc3c2s1.CC(C)CC5.C46=O.N45 |
29112 | COc1cccc(-c2nn(C)c3sc(C(=O)N4CCCC4)cc23)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][=N][N][Branch1][C][C][C][S][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][Ring1][S][=Ring1][N][=C][Ring2][Ring1][=Branch1] | c18nn(C)c2sc7cc12.c16cccc8c1.N15CCCC1.C57=O.CO6 |
29114 | CCc1ccc(NS(=O)(=O)c2c[nH]cn2)cc1 | [C][C][C][=C][C][=C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][Ring1][#C] | S3(=O)(=O)c1c[nH]cn1.c15ccc4cc1.CC5.N34 |
29115 | Cc1ccc(C)c(N2CCN(S(=O)(=O)c3c[nH]cn3)CC2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][NH1][C][=N][Ring1][Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][Branch1] | Cc1ccc(C)c5c1.S4(=O)(=O)c1c[nH]cn1.N15CCN4CC1 |
29116 | CCOc1ccccc1NS(=O)(=O)c1c[nH]cn1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][NH1][C][=N][Ring1][Branch1] | S4(=O)(=O)c1c[nH]cn1.c13ccccc15.CC2.O23.N45 |
29117 | O=C(NCc1cccnc1)c1cnc2sccn2c1=O | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][N][=C][S][C][=C][N][Ring1][Branch1][C][Ring1][=Branch2][=O] | c15cnc2sccn2c1=O.c16cccnc1.O=C35.N34.C46 |
29118 | CC1CCc2cc(F)ccc2N1C(=O)c1cnc2sccn2c1=O | [C][C][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Ring1][O][C][=Branch1][C][=O][C][=C][N][=C][S][C][=C][N][Ring1][Branch1][C][Ring1][=Branch2][=O] | CC1CCc2cc(F)ccc2N13.c14cnc2sccn2c1=O.C34=O |
29119 | Cc1csc(NC(=O)c2cnc3scc(C)n3c2=O)n1 | [C][C][=C][S][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][S][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][Ring1][#Branch2][=O][=N][Ring2][Ring1][Ring1] | c16cnc2scc(C)n2c1=O.Cc1csc5n1.C46=O.N45 |
29120 | Cc1cc(NC(=O)c2cnc3scc(C)n3c2=O)no1 | [C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][S][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][Ring1][#Branch2][=O][=N][O][Ring2][Ring1][Ring1] | c16cnc2scc(C)n2c1=O.Cc1cc5no1.C46=O.N45 |
29121 | Cn1c(=O)cc(SCC(=O)Nc2ccc(F)cc2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | Cn1c(=O)cc6c2ccccc21.c15ccc(F)cc1.C4C3=O.S46.N35 |
29122 | Cn1c(=O)cc(SCC(=O)NC2CCCCC2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | Cn1c(=O)cc6c2ccccc21.C15CCCCC1.C4C3=O.S46.N35 |
29123 | CCC(C)NC(=O)CSc1cc(=O)n(C)c2ccccc12 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c16cc(=O)n(C)c2ccccc12.CCC4C.C3(=O)C5.N34.S56 |
29124 | Cn1c(=O)cc(SCC(=O)NCC2CCCO2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | Cn1c(=O)cc7c2ccccc21.C16CCCO1.C5C3=O.S57.N34.C46 |
29125 | Cn1c(=O)cc(SCC(=O)NCc2ccco2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | Cn1c(=O)cc7c2ccccc21.c16ccco1.C5C3=O.S57.N34.C46 |
29126 | CC(C)NC(=O)CSc1cc(=O)n(C)c2ccccc12 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c16cc(=O)n(C)c2ccccc12.C3(=O)C5.CC4C.N34.S56 |
29127 | Cn1c(=O)cc(SCC(=O)NCc2cccnc2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][P][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)cc7c2ccccc21.c16cccnc1.C5C3=O.S57.N34.C46 |
29128 | CC1CC(C)CN(C(=O)CSc2cc(=O)n(C)c3ccccc23)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][Ring2][Ring1][#Branch1] | c16cc(=O)n(C)c2ccccc12.CC1CC(C)CN4C1.C4(=O)C5.S56 |
29129 | CCN(CC)C(=O)CSc1cc(=O)n(C)c2ccccc12 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c17cc(=O)n(C)c2ccccc12.C3(=O)C6.N345.CC4.C5C.S67 |
29130 | Cn1c(=O)cc(SCC(=O)NCc2cccs2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | Cn1c(=O)cc7c2ccccc21.c16cccs1.C5C3=O.S57.N34.C46 |
29131 | CCC(C)NC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][=N][Ring1][#Branch1] | c16cc(=O)n(C)c2cc(Cl)ccc12.CCC4C.C3(=O)C5.N34.S56 |
29132 | CC(C)NC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][=N][Ring1][#Branch1] | c16cc(=O)n(C)c2cc(Cl)ccc12.C3(=O)C5.CC4C.N34.S56 |
29133 | CCN(CC)C(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][=N][Ring1][#Branch1] | c17cc(=O)n(C)c2cc(Cl)ccc12.C3(=O)C6.N345.CC4.C5C.S67 |
29135 | Cn1c(C(=O)NC2CCCCC2)cc2c(=O)[nH]c3ccccc3c21 | [C][N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][Ring2][Ring1][#Branch1] | Cn1c6cc2c(=O)[nH]c3ccccc3c21.C15CCCCC1.C46=O.N45 |
29136 | Cn1c(C(=O)NC2CCCCCC2)cc2c(=O)[nH]c3ccccc3c21 | [C][N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][=C][C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][Ring2][Ring1][Branch2] | Cn1c6cc2c(=O)[nH]c3ccccc3c21.C15CCCCCC1.C46=O.N45 |
29137 | CC(C)CCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][Ring1][=C][C] | c16cc2c(=O)[nH]c3ccccc3c2n1C.CC(C)CC5.C46=O.N45 |
29138 | Cc1c(C(=O)NC(C)C)sc2nc(-c3ccccc3)cn12 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][Ring2][Ring1][O] | Cc1c6sc2nc7cn12.c17ccccc1.C46=O.C5(C)C.N45 |
29139 | Cc1c(C(=O)Nc2ccncc2)sc2nc(-c3ccccc3)cn12 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][#Branch1][Ring1][O] | Cc1c6sc2nc7cn12.c15ccncc1.c17ccccc1.C46=O.N45 |
29140 | CCN(CC)C(=O)c1sc2nc(-c3ccc(OC)cc3)cn2c1C | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][N][Ring1][=N][C][=Ring1][S][C] | c18sc2nc9cn2c1C.c19ccc5cc1.N467.C48=O.CC6.C7C.O5C |
29141 | CNC(=O)c1sc2nc(-c3ccc(OC)cc3)cn2c1C | [C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][N][Ring1][=N][C][=Ring1][S][C] | c16sc2nc7cn2c1C.c17ccc5cc1.C46=O.CN4.O5C |
29142 | COc1ccc(-c2cn3c(C)c(C(=O)NC(C)C)sc3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=C][N][C][Branch1][C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][S][C][Ring1][N][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c18cn2c(C)c7sc2n1.c15ccc8cc1.C47=O.C6(C)C.CO5.N46 |
29143 | COc1ccc(-c2cn3c(C)c(C(N)=O)sc3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][C][Ring1][=Branch2][=N][Ring1][N][C][=C][Ring2][Ring1][C] | c16cn2c(C)c5sc2n1.c14ccc6cc1.C5(N)=O.CO4 |
29144 | CCCS(=O)(=O)NCc1ccc2[nH]c(C)cc2c1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][NH1][C][Branch1][C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2[nH]c(C)cc2c1.CCCS4(=O)=O.N34.C35 |
29145 | Cc1cc2cc(CNS(=O)(=O)c3ccc(Cl)cc3)ccc2[nH]1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][C][NH1][Ring2][Ring1][Branch1] | Cc1cc2cc6ccc2[nH]1.S5(=O)(=O)c1ccc(Cl)cc1.C46.N45 |
29146 | Cc1cc2cc(CNC(=O)Nc3ccccc3)ccc2[nH]1 | [C][C][=C][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][NH1][Ring2][Ring1][Ring2] | Cc1cc2cc8ccc2[nH]1.c17ccccc1.C45=O.C68.N46.N57 |
29147 | Cc1cc(C(F)(F)F)nn1CC(=O)NCc1cccs1 | [C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1] | Cc1cc5nn14.c16cccs1.C5(F)(F)F.C4C2=O.N23.C36 |
29150 | CCOc1ncccc1C(=O)Nc1ccc(Br)cc1F | [C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F] | c15ccc(Br)cc1F.c14ncccc16.C26=O.CC3.O34.N25 |
29151 | CCOc1ncccc1C(=O)Nc1ccc(F)cc1F | [C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c15ccc(F)cc1F.c14ncccc16.C26=O.CC3.O34.N25 |
29154 | CCOc1ncccc1C(=O)Nc1cccc2ccccc12 | [C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2ccccc12.c15ncccc17.C37=O.CC4.O45.N36 |
29156 | CCOc1ncccc1C(=O)Nc1ccccc1OC | [C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c14ncccc17.c16ccccc15.C27=O.CC3.O34.N26.O5C |
29157 | COc1ccc(-c2nc(-c3ccncc3)no2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P][O][C] | c14ccc6cc15.c16nc7no1.c17ccncc1.CO4.O5C |
29158 | CCc1ccc(-c2nc(-c3ccncc3)no2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P] | c14ccc5cc1.c15nc6no1.c16ccncc1.CC4 |
29159 | COc1ccc(C(=O)Nc2cc(C(N)=O)c(Cl)cc2Cl)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Cl][C][=C][Ring2][Ring1][Ring2] | c15cc7c(Cl)cc1Cl.c14ccc6cc1.C36=O.C7(N)=O.CO4.N35 |
29161 | Brc1ccc(OCCn2ccnc2)cc1 | [Br][C][=C][C][=C][Branch1][O][O][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][=C] | Brc1ccc4cc1.n15ccnc1.C3C5.O34 |
29163 | O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1Cl | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14ccc2[nH]c(=O)[nH]c2c1.c15ccccc1Cl.O=C35.N34 |
29164 | CCOC1Cc2ccccc2N(C(N)=O)c2ccccc21 | [C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | O4C1Cc2ccccc2N3c2ccccc21.C3(N)=O.CC4 |
29166 | CCOC(=O)c1conc1-c1c[nH]c2ccccc12 | [C][C][O][C][=Branch1][C][=O][C][=C][O][N][=C][Ring1][Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c16c[nH]c2ccccc12.c15conc16.C35=O.CC4.O34 |
29167 | CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc7cc1.c16ccc(F)cc1.C37=O.CC4.O45.N36 |
29168 | COc1cc(-c2nocc2C#N)cc(OC)c1OC | [C][O][C][=C][C][Branch1][#Branch2][C][=N][O][C][=C][Ring1][Branch1][C][#N][=C][C][Branch1][Ring1][O][C][=C][Ring1][#C][O][C] | c13cc6cc4c15.c16nocc1C#N.CO3.O4C.O5C |
29169 | Cc1ccc2c(c1)C(=O)CC(O)(C(F)(F)C(F)F)O2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][C][O][Branch1][=N][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][O][Ring1][#C] | Cc1ccc2c(c1)C(=O)CC3(O)O2.C3(F)(F)C(F)F |
29170 | CCOc1ccc(C2OC(=O)Cc3cc(OC)c(OC)cc32)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c15ccc(C2OC(=O)Cc3cc6c7cc32)cc1.CC4.O45.O6C.O7C |
29171 | COc1cc(OC)cc(C(=O)Nc2cccc(NC(C)=O)c2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | c15cc6cc9c1.c17cccc8c1.C39=O.C4(C)=O.CO5.O6C.N37.N48 |
29172 | CCOC(=O)C1CCN(C(=O)c2ccc(OC)cc2OC)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][C][Ring2][Ring1][C] | c19ccc6cc17.C18CCN4CC1.C38=O.C49=O.CC5.O35.O6C.O7C |
29173 | Clc1ccc(Nc2nc3nonc3n3cnnc23)cc1 | [Cl][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] | c14nc2nonc2n2cnnc12.Clc1ccc5cc1.N45 |
29174 | COc1ccc2c(c1)nc(SCC(=O)C(C)(C)C)n2C | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][=C][C] | c13ccc2c(c1)nc5n2C.C4C(=O)C(C)(C)C.CO3.S45 |
29178 | CCCn1c(NC(=O)c2ccco2)nc2ccccc21 | [C][C][C][N][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n16c4nc2ccccc21.c15ccco1.CCC6.C35=O.N34 |
29179 | COc1ccc(C2NC(=O)Cc3cc(OC)c(OC)cc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][C] | c14ccc(C2NC(=O)Cc3cc5c6cc32)cc17.CO4.O5C.O6C.O7C |
29180 | O=C(Nc1cccc(Br)c1)c1ccc2nccnc2c1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2nccnc2c1.c14cccc(Br)c1.O=C35.N34 |
29181 | COc1ccccc1Nc1nc(C)c(C(C)=O)s1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][S][Ring1][=Branch2] | c12ccccc14.c13nc(C)c5s1.C5(C)=O.CO2.N34 |
29183 | COc1ccc(C(=O)N2CCOCC2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][S] | c14ccc6c5c1.N13CCOCC1.C36=O.CO4.O5C |
29185 | O=C(Nc1ccc(Br)cc1F)c1ccco1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][C][=C][C][=C][O][Ring1][Branch1] | c13ccc(Br)cc1F.c14ccco1.O=C24.N23 |
29186 | COc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c14ccc5cc1.c17ccc6cc1.C37=O.N6(C)C.CO4.N35 |
29187 | Cc1cc(C)n(-c2cc(-c3ccccc3)nc(C)n2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][C][C][=N][Ring1][=N][N][=Ring2][Ring1][Ring1] | c14cc5nc(C)n1.Cc1cc(C)n4n1.c15ccccc1 |
29188 | CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CCC2 | [C][C][=Branch1][C][=O][N][C][S][C][=C][Branch2][Ring1][C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][S] | c15sc2c(c17)CCC2.c16ccccc1C.CC3=O.C47=O.N35.N46 |
29189 | CCOC(=O)c1cc2c(C)n(CC)c(C)c2ccc1=O | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][Branch1][Ring1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][C][=C][C][Ring1][=C][=O] | c15cc2c(C)n6c(C)c2ccc1=O.C35=O.CC4.O34.C6C |
29190 | CCCC1=C(C(=O)OCC)C(c2ccc3c(c2)OCO3)NC(=O)N1 | [C][C][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1] | CCCC1=C(C4=O)C6NC(=O)N1.c16ccc2c(c1)OCO2.O45.C5C |
29191 | CC(=O)c1cccc(NC(=O)c2cc(C)c(C)o2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][O][Ring1][#Branch1][=C][Ring1][S] | c16cccc4c1.c15cc(C)c(C)o1.CC6=O.C35=O.N34 |
29192 | COC(=O)C1=C(C)OC(N)=C(C(=O)OC)C12C(=O)Nc1ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Branch1][C][N][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | C3(=O)C1=C(C)OC(N)=C(C4=O)C12C(=O)Nc1ccccc12.CO3.O4C |
29193 | Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cnc2ccccc2c1 | [C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c14cnc2ccccc2c1.Cc1cc6nn15.C6(F)(F)F.C5C3=O.N34 |
29194 | Cc1cc(C)nc(-n2nc(C)cc2Nc2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring2][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | Cc1cc(C)nc5n1.n15nc(C)cc13.c14ccccc1.N34 |
29195 | CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1OC)CCC2 | [C][C][C][=Branch1][C][=O][N][C][S][C][=C][Branch2][Ring1][Ring1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][Ring1][P] | c16sc2c(c18)CCC2.c17ccccc15.CCC3=O.C48=O.N36.N47.O5C |
29196 | Cc1cc(Nc2ccccc2)n(C(=O)c2ccc(N)cc2)n1 | [C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N][=Ring2][Ring1][Branch1] | Cc1cc3n(C5=O)n1.c15ccc(N)cc1.c14ccccc1.N34 |
29199 | CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCC3 | [C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][#C][=O][C][C][C][Ring1][Branch2] | n16c7nc2sc3c(c2c1=O)CCC3.C5C4=O.CC6.S57.O4C |
29200 | O=C1CCC(C(=O)Nc2ccccc2)(c2ccccc2)C1 | [O][=C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2] | O=C1CCC56C1.c14ccccc1.c16ccccc1.C35=O.N34 |
29202 | COc1ccccc1CNC(=O)COc1ccccc1OC | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c14ccccc18.c15ccccc16.C2(=O)C3.CO4.C78.N27.O35.O6C |
29204 | COc1ccccc1OCC(=O)Nc1ccc2c(c1)OCCO2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c17ccc2c(c1)OCCO2.c15ccccc16.C4C3=O.CO5.O46.N37 |
29205 | COc1ccccc1OCc1nc(-c2ccccc2)no1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | c14ccccc15.c16nc7no1.c17ccccc1.CO4.O35.C36 |
29206 | COc1ccc(OCC(=O)Nc2ccc(OC)cc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Branch1] | c19ccc7cc18.c15ccc6cc1.C4C3=O.CO5.O46.N39.O7C.O8C |
29208 | COc1ccc(NC(=O)COc2ccc(OC)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c15ccc8cc1.c16ccc7cc1.C3(=O)C4.CO5.N38.O46.O7C |
29210 | COc1cccc(OCC(=O)Nc2ccc3c(c2)OCO3)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c18ccc2c(c1)OCO2.c16cccc7c1.C5C4=O.CO6.O57.N48 |
29211 | Cc1cc(C)cc(OCc2nc(-c3ccccn3)no2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring2] | Cc1cc5cc(C)c1.c16nc7no1.c17ccccn1.O45.C46 |
29212 | COc1ccc(C(=O)Nc2ccccc2CO)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][Ring1][P][O][C] | c14ccc7cc15.c16ccccc18.C37=O.CO4.N36.C8O.O5C |
29213 | COc1ccccc1C(=O)Nc1ccccc1CO | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O] | c13ccccc15.c14ccccc16.C25=O.CO3.N24.C6O |
29214 | O=C(Nc1nncs1)C(Sc1ccccc1)c1ccccc1 | [O][=C][Branch1][=Branch2][N][C][=N][N][=C][S][Ring1][Branch1][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1.c15ccccc1.O=C2C35.c14nncs1.N24.S36 |
29216 | CC(Oc1ccc(Cl)cc1Cl)C(=O)NCC1CCCO1 | [C][C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] | c14ccc(Cl)cc1Cl.CC3C2=O.C16CCCO1.O34.N25.C56 |
29217 | Cc1cc(C)cc(OCc2nc(-c3ccncc3)no2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring2] | Cc1cc5cc(C)c1.c16nc7no1.c17ccncc1.O45.C46 |
29220 | Cc1cc(C)cc(OCC(=O)NCc2cccnc2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | Cc1cc5cc(C)c1.c17cccnc1.C4C3=O.O45.N36.C67 |
29223 | Cc1cc(C)cc(OCc2nc(-c3cccnc3)no2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring2] | Cc1cc5cc(C)c1.c16nc7no1.c17cccnc1.O45.C46 |
29224 | COc1cc(NC(=O)c2ccccc2OC)cc(OC)c1 | [C][O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c14cc6cc7c1.c18ccccc15.C38=O.CO4.N37.O5C.O6C |
29225 | CC(=O)N1CC(=O)Nc2ccc(C)cc2C1c1ccccc1 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CC(=O)Nc2ccc(C)cc2C1c1ccccc1.CC3=O |
29226 | COc1cc(NC(=O)COc2cccc(OC)c2)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c15cc8cc9c1.c16cccc7c1.C3(=O)C4.CO5.N39.O46.O7C.O8C |
29227 | Cc1ccc(OCc2nc(-c3ccncc3)no2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.c16nc7no1.c17ccncc1.O45.C46 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.