ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
18086 | CCOc1ccc(C(=O)NCc2ccco2)cc1OCC | [C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C][O][C][C] | c16ccc9cc17.c1%10ccco1.C39=O.CC4.O46.N38.C8%10.O57.C5C |
18087 | CCN(CC)c1ccc(C(=O)NCc2ccccn2)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S] | c17ccc8cc1.c19ccccn1.N457.C38=O.CC4.C5C.N36.C69 |
18088 | CCN(CC)c1ccc(C(=O)NCC2CCCO2)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][#C] | c17ccc8cc1.C19CCCO1.N457.C38=O.CC4.C5C.N36.C69 |
18089 | COc1ccccc1CC(=O)N1CCc2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.c14ccccc15.C5C3=O.CO4 |
18090 | NC(=O)C1CCCN(c2nc(-c3ccccc3)cs2)C1 | [N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][Ring1][P] | C15CCCN4C1.c14nc6cs1.c16ccccc1.NC5=O |
18091 | Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1 | [C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c7nnc18.c16ccccc1.c18ccccc1.C5C3=O.S57.N34.C46 |
18092 | Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccc1 | [C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c6nnc17.c15ccccc1F.c17ccccc1.C4C3=O.S46.N35 |
18093 | O=C(CC1CCCCC1)Nc1ccc2c(c1)OCCO2 | [O][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.C15CCCCC1.O=C3C5.N34 |
18094 | Cc1ccc(OCc2nc(-c3cccnc3)no2)cc1C | [C][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][=C][Ring2][Ring1][Ring1][C] | Cc1ccc5cc1C.c16nc7no1.c17cccnc1.O45.C46 |
18095 | Cc1ccc(OCc2nc(-c3ccncc3)no2)cc1C | [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][C] | Cc1ccc5cc1C.c16nc7no1.c17ccncc1.O45.C46 |
18096 | O=C(NCc1cccnc1)C1CCCN1S(=O)(=O)c1ccccc1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c16cccnc1.C15CCCN14.O=C25.N23.C36 |
18097 | C=CCn1c(C)c(C(=O)OCC)c2cc(O)ccc21 | [C][=C][C][N][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][S] | n16c(C)c5c2cc(O)ccc21.C=CC6.C35=O.O34.C4C |
18098 | CC1CCC(=O)C(C2(O)C(=O)Nc3ccc(Br)cc32)C1 | [C][C][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][N][C][Ring2][Ring1][Ring1] | CC1CCC(=O)C(C2(O)C(=O)Nc3ccc(Br)cc32)C1 |
18099 | COc1ccc(CNc2cccc(N(C)C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][C][=C][Ring1][P] | c13ccc7cc1.c15cccc6c1.N6(C)C.CO3.C47.N45 |
18100 | Nc1ncnc2c1ncn2CCOc1ccccc1 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1ncnc2c1ncn25.c14ccccc1.C5C3.O34 |
18101 | CC(C)(C)c1nnc(NS(=O)(=O)Cc2ccccc2)s1 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][S] | c15nnc4s1.c16ccccc1.S3(=O)(=O)C6.CC5(C)C.N34 |
18102 | CC(C)(C)CC(=O)Nc1nnc(C(C)(C)C)s1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2] | CC(C)(C)CC2=O.c13nnc4s1.C4(C)(C)C.N23 |
18104 | CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1C(C)C | [C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][#C][C][Branch1][C][C][C] | S4(=O)(=O)c1ccc(C)cc1.N13CCN4C15.CCC3=O.C5(C)C |
18105 | C#CCN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21 | [C][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | C#CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccccc1 |
18106 | COc1cc(CNc2ccc3c(c2)CCC3)cc(OC)c1O | [C][O][C][=C][C][Branch2][Ring1][C][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O] | c14cc8cc5c1O.c17ccc2c(c1)CCC2.CO4.C68.N67.O5C |
18109 | COc1cc(OC)c(OC)cc1CNc1cccc(C)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c12cc3c4cc17.c16cccc(C)c1.CO2.O3C.O4C.C57.N56 |
18110 | COc1cc(CNc2cccc(C)c2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=C][C][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c13cc8cc4c15.c17cccc(C)c1.CO3.C68.N67.O4C.O5C |
18111 | CCc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][N][=C][C][=C][Branch1][C][C][C][Branch1][C][N][=C][C][Ring1][Branch2][=N][Ring1][O][C][=C][Ring1][P] | n15nc2cc(C)c(N)cc2n1.c14ccc5cc1.CC4 |
18112 | CC1CCc2sc3ncnc(N4CCOCC4)c3c2C1 | [C][C][C][C][C][S][C][=N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][C][=Ring1][#C][C][Ring2][Ring1][Ring1] | CC1CCc2sc3ncnc5c3c2C1.N15CCOCC1 |
18113 | CNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 | [C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13nc2c(c(=O)n(C)c(=O)n2C)n14.c15ccccc1.C4CC5.CN3 |
18114 | CC(C)CCn1c(N(C)C)nc2c1c(=O)n(C)c(=O)n2C | [C][C][Branch1][C][C][C][C][N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c3nc2c1c(=O)n(C)c(=O)n2C.CC(C)CC4.N3(C)C |
18115 | C=CCn1c(SC(C)C(=O)OC)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][N][S][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=N][C][=C][Ring1][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c6nc2c1c(=O)[nH]c(=O)n2C.C4(C)C3=O.C=CC5.S46.O3C |
18116 | COc1cccc(CNc2ccc3c(c2)CCC3)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][P][O][C] | c17ccc2c(c1)CCC2.c14cccc8c15.CO4.C68.N67.O5C |
18117 | CNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C | [C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][C][Branch1][C][C][C] | c13nc2c(c(=O)n(C)c(=O)n2C)n14.C4CC(C)C.CN3 |
18118 | CC1=C(C(=O)OC(C)(C)C)C(c2ccc(O)cc2)NC(=O)N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1] | CC1=C(C3=O)C5NC(=O)N1.c15ccc(O)cc1.C4(C)(C)C.O34 |
18120 | COc1ccc(CNc2ccccc2SC)cc1OC | [C][O][C][=C][C][=C][Branch1][=N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][Ring1][S][O][C] | c13ccc7cc14.c16ccccc18.CO3.C57.N56.S8C.O4C |
18122 | COc1ccccc1CNc1ccc2cn[nH]c2c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2] | c15ccc2cn[nH]c2c1.c13ccccc16.CO3.C46.N45 |
18123 | COc1ccccc1C1NC(=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][Branch1][C][C][C] | C15NC(=O)NC(C)=C1C2=O.c14ccccc15.C3(C)(C)C.CO4.O23 |
18124 | COc1cc(CNc2ccc(F)c(Cl)c2)cc(OC)c1O | [C][O][C][=C][C][Branch1][P][C][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O] | c13cc7cc4c1O.c16ccc(F)c(Cl)c1.CO3.C57.N56.O4C |
18125 | COc1cccc(CNc2cccc(C)c2)c1OC | [C][O][C][=C][C][=C][C][Branch1][=C][C][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring1][#C][O][C] | c13cccc7c14.c16cccc(C)c1.CO3.C57.N56.O4C |
18126 | COc1cc(CNc2ccc(F)c(F)c2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][P][C][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | c13cc8cc4c15.c17ccc(F)c(F)c1.CO3.C68.N67.O4C.O5C |
18127 | COc1cc(CNc2ccccc2F)cc(OC)c1 | [C][O][C][=C][C][Branch1][N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][Branch1][Ring1][O][C][=C][Ring1][P] | c13cc4cc7c1.c16ccccc1F.CO3.C57.N56.O4C |
18128 | C=CCn1c(SC2CCOC2=O)nc2sc(C)c(C)c2c1=O | [C][=C][C][N][C][Branch1][#Branch2][S][C][C][C][O][C][Ring1][Branch1][=O][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring2][Ring1][C][=O] | n13c4nc2sc(C)c(C)c2c1=O.C15CCOC1=O.C=CC3.S45 |
18129 | CC(=O)Nc1ccc(CNc2ccc3c(c2)CCC3)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring1][P] | c17ccc2c(c1)CCC2.c16ccc8cc1.CC4=O.N46.C58.N57 |
18130 | COc1nc(Nc2ccccc2F)nc(OC)n1 | [C][O][C][=N][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Branch1][Ring1][O][C][=N][Ring1][S] | c13nc4nc5n1.c16ccccc1F.CO3.N56.O4C |
18132 | CCC(Sc1nc(C)cc(C)n1)C(=O)Nc1cc(C)on1 | [C][C][C][Branch1][S][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c15nc(C)cc(C)n1.CCC3C2=O.c14cc(C)on1.S35.N24 |
18133 | COc1cc(C(=O)Nc2nc(C)cc(C)n2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc8cc5c16.c17nc(C)cc(C)n1.C38=O.CO4.N37.O5C.O6C |
18134 | COc1cc(CNc2cccc(SC)c2)cc(OC)c1O | [C][O][C][=C][C][Branch1][#C][C][N][C][=C][C][=C][C][Branch1][Ring1][S][C][=C][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O] | c13cc7cc4c1O.c16cccc8c1.CO3.C57.N56.S8C.O4C |
18135 | COc1ccc(-n2nc3cc(C)c(NC(C)=O)cc3n2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][N][=C][C][=C][Branch1][C][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][Ring1][O][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2][Cl] | n17nc2cc6c(C)cc2n1.c15ccc7cc1Cl.C4(C)=O.CO5.N46 |
18136 | COc1cc(CNc2ccccc2C)cc2c1OCO2 | [C][O][C][=C][C][Branch1][N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][#C][O][C][O][Ring1][Branch1] | c13cc6cc2c1OCO2.c15ccccc1C.CO3.C46.N45 |
18137 | COc1cccc(CNc2cccc(F)c2)c1OC | [C][O][C][=C][C][=C][C][Branch1][=C][C][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][#C][O][C] | c13cccc7c14.c16cccc(F)c1.CO3.C57.N56.O4C |
18138 | COc1ccc(CNc2ccc3c(c2)CCC3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c17ccc2c(c1)CCC2.c14ccc8cc15.CO4.C68.N67.O5C |
18139 | O=C(Nc1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccco1 | [O][=C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | c15ccc(Cl)c6c1.c18cccs1.c17ccco1.O=C37.C48=O.N35.N46 |
18140 | Cc1ccc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.c18ccccn1.C4C3=O.S6(C)(=O)=O.N467.N35.C58 |
18141 | c1ccc(CCc2nc(-c3cccnc3)no2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring2][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c1ccc5cc1.c14nc6no1.c16cccnc1.C5C4 |
18142 | c1cc2c(cc1CNc1ccc3c(c1)CCC3)OCO2 | [C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][O][C][O][Ring2][Ring1][C] | c1cc2c(cc16)OCO2.c15ccc2c(c1)CCC2.C46.N45 |
18143 | Oc1ccc(CNc2ccc(F)c(Cl)c2)cc1 | [O][C][=C][C][=C][Branch1][P][C][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring1][S] | c14ccc(F)c(Cl)c1.Oc1ccc5cc1.C35.N34 |
18144 | COc1ccc(CNc2cccc(F)c2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][=C][C][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring1][P] | c13ccc7c4c1.c16cccc(F)c1.CO3.C57.N56.O4C |
18145 | CCOc1cc(CNc2ccc3c(c2)CCC3)ccc1O | [C][C][O][C][=C][C][Branch2][Ring1][C][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][P][O] | c17ccc2c(c1)CCC2.c15cc8ccc1O.CC4.O45.C68.N67 |
18146 | COc1ccc(N2CC(C(=O)NCc3cccnc3)CC2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | c15ccc9cc1.N19CC7CC1=O.c18cccnc1.C47=O.CO5.N46.C68 |
18147 | CC(=O)Nc1ccc(NC(=O)C2CC(=O)N(C3CCCCC3)C2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c16ccc7cc1.C18CC(=O)N9C1.C19CCCCC1.CC4=O.C58=O.N46.N57 |
18148 | COc1ccc2nc(SCC(=O)Nc3ncccn3)[nH]c2c1 | [C][O][C][=C][C][=C][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][NH1][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c15ccc2nc8[nH]c2c1.c17ncccn1.C6C4=O.CO5.S68.N47 |
18149 | COc1cc(CNc2ccccc2SC)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | c13cc8cc4c15.c17ccccc19.CO3.C68.N67.S9C.O4C.O5C |
18150 | Cc1onc(-c2ccccc2)c1C(=O)NC(C)(C)C | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] | Cc1onc6c15.c16ccccc1.C4(C)(C)C.C35=O.N34 |
18151 | COc1cccc(CNc2ccc(F)c(F)c2)c1OC | [C][O][C][=C][C][=C][C][Branch1][P][C][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring1][S][O][C] | c13cccc7c14.c16ccc(F)c(F)c1.CO3.C57.N56.O4C |
18152 | CCOC(=O)c1nnc2cc(-c3ccccc3)nn2c1C | [C][C][O][C][=Branch1][C][=O][C][N][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=Ring1][#C][C] | c16nnc2cc7nn2c1C.c17ccccc1.C46=O.CC5.O45 |
18153 | Nc1ccc(Cl)c(NC(=O)c2cccs2)c1 | [N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][#C] | Nc1ccc(Cl)c4c1.c15cccs1.C35=O.N34 |
18154 | Cc1ccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6c(C)c1.c17cccnc1.C4C3=O.S5(C)(=O)=O.N456.N37 |
18155 | COc1cc(CNc2ccc3cn[nH]c3c2)ccc1O | [C][O][C][=C][C][Branch1][S][C][N][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][C][=C][Ring1][P][O] | c16ccc2cn[nH]c2c1.c14cc7ccc1O.CO4.C57.N56 |
18156 | COC(=O)c1sc(NC(=O)COc2ccccc2)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][S][C] | c18sc7nc1C.c16ccccc1.C4(=O)C5.C38=O.CO3.N47.O56 |
18158 | CC(C)N(C(C)C)S(=O)(=O)c1ccc(N)cc1 | [C][C][Branch1][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(N)cc1.CC2C.N234.C3(C)C |
18159 | O=C(CCCc1c[nH]c2ccccc12)N1CCOCC1 | [O][=C][Branch1][P][C][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c14c[nH]c2ccccc12.O=C3CCC4.N13CCOCC1 |
18161 | Nc1cccc(NC(=O)c2ccccc2Br)c1 | [N][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=C][Ring1][S] | Nc1cccc4c1.c15ccccc1Br.C35=O.N34 |
18162 | COC(=O)CN1C(=O)c2ccccc2NC1c1ccc(OC)cc1 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | N15C(=O)c2ccccc2NC16.c16ccc4cc1.C3(=O)C5.CO3.O4C |
18163 | CCOC(=O)c1c(C)[nH]c2ccc(OC(C)=O)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][=C][Ring1][#Branch2] | c17c(C)[nH]c2ccc6cc12.C37=O.C4(C)=O.CC5.O35.O46 |
18164 | N#Cc1cc2ccc(Br)cc2cc1C#N | [N][#C][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][#N] | N#Cc1cc2ccc(Br)cc2cc1C#N |
18166 | Cn1c(-c2ccccc2)c(CCO)c2ccccc21 | [C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | Cn1c4c3c2ccccc21.c14ccccc1.C3CO |
18167 | CC(C)(C)C(=O)Nc1nnc(C(F)(F)F)s1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2] | CC(C)(C)C2=O.c13nnc4s1.C4(F)(F)F.N23 |
18170 | O=C1NC2C(NC(=O)N2C2CCCCC2)N1C1CCCCC1 | [O][=C][N][C][C][Branch1][P][N][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][#C][C][C][C][C][C][C][Ring1][=Branch1] | O=C1NC2C(NC(=O)N23)N14.C13CCCCC1.C14CCCCC1 |
18173 | Cc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1cc(C)c(S5(=O)=O)c(C)c1.c16ccc2c(c1)OCO2.N45.C46 |
18174 | CCC(=O)OCC12COC(C)C(C1)C(C)=CC2C | [C][C][C][=Branch1][C][=O][O][C][C][C][O][C][Branch1][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][Branch1][C][C][=C][C][Ring1][O][C] | C125COC(C)C(C1)C(C)=CC2C.CCC3=O.O34.C45 |
18176 | CCC(=O)Nc1sc2c(c1C(N)=O)CCC(C(C)(C)C)C2 | [C][C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C] | c14sc2c(c15)CCC6C2.CCC3=O.C6(C)(C)C.C5(N)=O.N34 |
18178 | COc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][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] | c15ccccc16.N14CCN7CC1.c17ccc(F)cc1.C34=O.CO5.N36 |
18179 | COc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c16nc2c(s1)C(=O)CC(C)(C)C2.c15ccc7cc1.C47=O.CO5.N46 |
18180 | CC1(C)CC(=O)c2sc(NC(=O)c3cccs3)nc2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][=N][C][Ring2][Ring1][Ring1] | CC1(C)CC(=O)c2sc5nc2C1.c16cccs1.C46=O.N45 |
18181 | COc1ccccc1CC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2] | c15nc2c(s1)C(=O)CC(C)(C)C2.c14ccccc16.C6C3=O.CO4.N35 |
18182 | O=S(=O)(NCc1cccnc1)c1ccc(Cl)c(Cl)c1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | O=S3(=O)c1ccc(Cl)c(Cl)c1.c14cccnc1.N23.C24 |
18183 | Cc1ccccc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][S][Ring1][=N] | c14nc2ccc(S(C)(=O)=O)cc2s1.Cc1ccccc15.C35=O.N34 |
18184 | Cc1nn2c(c1C)n1nc(C)c(C)c1n1nc(C)c(C)c21 | [C][C][=N][N][C][=Branch1][Branch1][=C][Ring1][Branch1][C][N][N][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][N][N][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring2][Ring1][C][Ring1][#Branch1] | Cc1nn2c(c1C)n1nc(C)c(C)c1n1nc(C)c(C)c21 |
18185 | O=C(Cc1ccccc1)Nc1nonc1-c1ccccc1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][O][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1.c13nonc15.c15ccccc1.O=C2C4.N23 |
18186 | Nc1nonc1OC1CCCCC1Oc1nonc1N | [N][C][=N][O][N][=C][Ring1][Branch1][O][C][C][C][C][C][C][Ring1][=Branch1][O][C][=N][O][N][=C][Ring1][Branch1][N] | C14CCCCC15.Nc1nonc12.c13nonc1N.O24.O35 |
18188 | CC(=O)Nc1nnc(Cc2ccccc2F)s1 | [C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][=N] | c16ccccc1F.c14nnc5s1.CC3=O.N34.C56 |
18189 | CC(C)(C)C(=O)Nc1nnc(Cc2ccccc2F)s1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][=N] | c16ccccc1F.CC(C)(C)C3=O.c14nnc5s1.N34.C56 |
18190 | CCCC(=O)Nc1nnc(Cc2ccccc2F)s1 | [C][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][=N] | c16ccccc1F.c14nnc5s1.CCCC3=O.N34.C56 |
18191 | CCOc1ccccc1NC(=O)c1ccccc1F | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14ccccc15.c16ccccc1F.C26=O.CC3.O34.N25 |
18192 | Cc1cc(C)nc(SCC(=O)c2ccc(O)cc2O)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][=N][Ring2][Ring1][Ring1] | Cc1cc(C)nc5n1.c14ccc(O)cc1O.C3C4=O.S35 |
18194 | CCOC(=O)c1cc2nc(C)n(CC)c2cc1C(=O)OCC | [C][C][O][C][=Branch1][C][=O][C][=C][C][N][=C][Branch1][C][C][N][Branch1][Ring1][C][C][C][=Ring1][Branch2][C][=C][Ring1][N][C][=Branch1][C][=O][O][C][C] | c17cc2nc(C)n9c2cc18.C37=O.C48=O.CC5.O35.C9C.O46.C6C |
18195 | CC(=O)c1cccc(Nc2nc(-c3cccnc3)cs2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring2][Ring1][C] | c16cccc5c1.c14nc7cs1.c17cccnc1.CC6=O.N45 |
18196 | COc1ccccc1Nc1nc(-c2ccncc2)cs1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][S][Ring1][O] | c13ccccc15.c14nc6cs1.c16ccncc1.CO3.N45 |
18198 | N#Cc1ccccc1Cn1ccc(=NCc2ccccc2)cc1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=Branch1][O][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | n13ccc(=NC5)cc1.N#Cc1ccccc14.c15ccccc1.C34 |
18202 | COc1ccc2oc(=O)c(C(=O)Nc3cccc(C)c3)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2oc(=O)c7cc2c1.c16cccc(C)c1.C47=O.CO5.N46 |
18203 | COc1cccc(C2N(C)c3ccccc3N2C)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][Ring1][P][O][C] | C16N(C)c2ccccc2N1C.c14cccc6c15.CO4.O5C |
18204 | COc1cc(C2N(C)c3ccccc3N2C)cc(OC)c1OC | [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][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | C17N(C)c2ccccc2N1C.c14cc7cc5c16.CO4.O5C.O6C |
18205 | O=C(NCC(O)c1ccccc1)c1ccc(Cl)cc1 | [O][=C][Branch1][#C][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.c15ccccc1.C3C5O.O=C24.N23 |
18207 | Cc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 | [C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring2] | Cc1nc6c4s1.c16ccccc1.c15ccccc1.C35=O.N34 |
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