ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
38928 | Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccccc1 | [C][C][O][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1onc7c15.c17ccc(F)cc1.c16ccccc1.C35=O.N34.C46 |
38929 | COc1ccccc1CNC(=O)c1c(-c2ccc(F)cc2)noc1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][C][=Ring1][N][C] | c14ccccc17.c16c8noc1C.c18ccc(F)cc1.C36=O.CO4.C57.N35 |
38930 | Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCC(C)C | [C][C][O][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C] | Cc1onc6c15.c16ccc(F)cc1.C4CC(C)C.C35=O.N34 |
38931 | Cc1onc(-c2ccccc2Cl)c1C(=O)NC(C)C | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | Cc1onc6c15.c16ccccc1Cl.C35=O.C4(C)C.N34 |
38932 | Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(C)C | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C] | Cc1onc6c15.c16ccccc1Cl.C4C(C)C.C35=O.N34 |
38933 | Cc1onc(-c2ccccc2F)c1C(=O)NCc1ccccc1 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1onc7c15.c17ccccc1F.c16ccccc1.C35=O.N34.C46 |
38934 | COc1ccccc1CNC(=O)c1c(-c2ccccc2F)noc1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][O][C][=Ring1][N][C] | c14ccccc17.c16c8noc1C.c18ccccc1F.C36=O.CO4.C57.N35 |
38935 | Cc1onc(-c2ccccc2F)c1C(=O)NCCC(C)C | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C] | Cc1onc6c15.c16ccccc1F.C4CC(C)C.C35=O.N34 |
38939 | Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccs1 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][S][Ring1][Branch1] | Cn1c5nnc16.c14ccccc1.c16cccs1.C3C4=O.S35 |
38940 | O=C(Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][N][C][C][C][C][C][Ring1][Branch1] | c16ccc(F)cc1.n15nnc6n1.C14CCCC1.O=C3C5.N34 |
38941 | NS(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C] | NS(=O)(=O)c1ccc4cc1.c15cnccn1.C35=O.N34 |
38942 | Cc1cc(C)c(OCC(=O)NCc2cccnc2)c(Cl)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c5c(Cl)c1.c17cccnc1.C4C3=O.O45.N36.C67 |
38943 | O=C(NCc1cccnc1)c1ccc(-c2ccc(Cl)cc2)o1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N] | c17ccc(Cl)cc1.c16cccnc1.c15ccc7o1.O=C35.N34.C46 |
38945 | COc1ccc(NC(=O)c2ccoc2C)cc1Cl | [C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][=C][Ring1][#C][Cl] | c14ccc5cc1Cl.c16ccoc1C.C36=O.CO4.N35 |
38946 | COc1ccc(OCc2nc(-c3ccccn3)no2)cc1 | [C][O][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][=C][Ring2][Ring1][Ring1] | c15ccc6cc1.c17nc8no1.c18ccccn1.CO5.O46.C47 |
38947 | CNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc7n15.c17ccccc1.c15ccccc1.C3(=O)C4.CN3.S46 |
38948 | CN(C)C(=O)CSc1nnc(-c2ccccc2)n1C | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C] | c15nnc6n1C.c16ccccc1.C3(=O)C4.CN3C.S45 |
38949 | Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccccc1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c5nnc16.c16ccccc1.C4C2=O.C3(C)(C)C.S45.N23 |
38950 | CC1CCCC(C)N1C(=O)CSc1nnc(-c2ccccc2)n1C | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C] | CC1CCCC(C)N13.c15nnc6n1C.c16ccccc1.C3(=O)C4.S45 |
38951 | CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCC1 | [C][C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][N][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | n15c6nnc18.c17ccccc1.N13CCCC1.C4C3=O.CC5.C67.S48 |
38952 | CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCCC1 | [C][C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][N][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | n15c6nnc18.c17ccccc1.N13CCCCC1.C4C3=O.CC5.C67.S48 |
38953 | CC1CCCCN1C(=O)CSc1nnc(Cc2ccccc2)n1C | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C] | CC1CCCCN13.c17nnc5n1C.c16ccccc1.C3(=O)C4.S47.C56 |
38954 | Cn1c(Cc2ccccc2)nnc1SCC(=O)NCc1ccco1 | [C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][N][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | Cn1c6nnc19.c18ccccc1.c17ccco1.C5C3=O.C68.S59.N34.C47 |
38956 | CN(C)C(=O)CSc1nnc(-c2ccncc2)n1C | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][C] | c15nnc6n1C.c16ccncc1.C3(=O)C4.CN3C.S45 |
38957 | CCN(CC)C(=O)CSc1nnc(-c2ccncc2)n1C | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][C] | c17nnc8n1C.c18ccncc1.C3(=O)C6.N345.CC4.C5C.S67 |
38959 | Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccncc1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cn1c5nnc16.c16ccncc1.C4C2=O.C3(C)(C)C.S45.N23 |
38960 | Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccncc1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=N][N][=C][Ring1][S][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cn1c6nnc17.C15CCCCC1.c17ccncc1.C4C3=O.S46.N35 |
38961 | CCn1c(SCC(=O)N2CCCCC2C)nnc1-c1ccncc1 | [C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=N][N][=C][Ring1][S][C][=C][C][=N][C][=C][Ring1][=Branch1] | n15c6nnc17.N13CCCCC1C.c17ccncc1.C4C3=O.CC5.S46 |
38962 | CC1CCN(C(=O)CSc2nnc(-c3ccncc3)n2C)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][C][Ring2][Ring1][=Branch1] | CC1CCN4CC1.c16nnc7n1C.c17ccncc1.C4(=O)C5.S56 |
38963 | CC1CCCC(C)N1C(=O)CSc1nnc(-c2ccncc2)n1C | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][C] | CC1CCCC(C)N13.c15nnc6n1C.c16ccncc1.C3(=O)C4.S45 |
38964 | Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccncc1 | [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][=N][C][=C][Ring1][=Branch1] | Cn1c6nnc17.c15ccccc1F.c17ccncc1.C4C3=O.S46.N35 |
38965 | Cn1c(SCC(=O)NCc2ccco2)nnc1-c1ccncc1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][S][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cn1c7nnc18.c18ccncc1.c16ccco1.C5C3=O.S57.N34.C46 |
38966 | CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccncc1 | [C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][S][C][=C][C][=N][C][=C][Ring1][=Branch1] | n16c8nnc19.c19ccncc1.c17ccco1.C5C3=O.CC6.S58.N34.C47 |
38968 | COC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc7n15.c15ccccc1.c17ccco1.C3(=O)C4.CO3.S46 |
38970 | COC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc7n15.c15ccccc1.c17cccs1.C3(=O)C4.CO3.S46 |
38971 | NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc7n14.c15ccccc1.c17cccs1.NC(=O)C3.S36.C45 |
38972 | CN(C)C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc7n15.c15ccccc1.c17cccs1.C3(=O)C4.CN3C.S46 |
38973 | CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1cccs1 | [C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=C][C][=C][C][=C][S][Ring1][Branch1] | n15c6nnc17.c17cccs1.C4C2=O.C3(C)(C)C.CC5.S46.N23 |
38978 | O=C(CSc1nnc(-c2cccnc2)o1)N1CCCCC1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O][N][C][C][C][C][C][Ring1][=Branch1] | c15nnc6o1.c16cccnc1.N13CCCCC1.O=C3C4.S45 |
38979 | CC1CCN(C(=O)CSc2nnc(-c3cccnc3)o2)CC1 | [C][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O][C][C][Ring2][Ring1][Branch1] | CC1CCN4CC1.c16nnc7o1.c17cccnc1.C4(=O)C5.S56 |
38980 | CCOC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][O][Ring1][Branch1] | c18nc2ccccc2c(=O)n16.c17ccco1.C3(=O)C5.CC4.O34.S58.C67 |
38981 | CCNc1nc(NC(C)C)nc(Oc2ccc(=O)n(C)n2)n1 | [C][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][S][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][=N][Ring2][Ring1][Ring1] | c17nc3nc8n1.c14ccc(=O)n(C)n1.C6(C)C.CC5.N57.N68.O34 |
38982 | CC(=O)N1CC2(C(C)C)CN(C(C)=O)CC(C(C)C)(C1)C2O | [C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Branch1][=Branch1][C][Branch1][C][C][C][Branch1][Ring2][C][Ring1][P][C][Ring1][S][O] | N13CC25CN4CC6(C1)C2O.CC3=O.C5(C)C.C4(C)=O.C6(C)C |
38983 | N#Cc1c(N)c(C#N)c(-c2ccncc2)c2c1CCCC2 | [N][#C][C][=C][Branch1][C][N][C][Branch1][Ring1][C][#N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][C][C][C][Ring1][=Branch1] | N#Cc1c(N)c(C#N)c3c2c1CCCC2.c13ccncc1 |
38985 | CC(C)CC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][P] | N13CCN4CC1.c16ccc(Cl)cc1.CC(C)CC3=O.C4(=O)C5.O56 |
38986 | CCc1ccc(OCC(=O)Nc2ccncc2)cc1 | [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.CC7.O45.N36 |
38987 | CCc1ccc(OCC(=O)NCc2ccco2)cc1 | [C][C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P] | c18ccc5cc1.c17ccco1.C4C3=O.CC8.O45.N36.C67 |
38988 | CC(C)c1ccc(OCC(=O)NCc2cccnc2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc5cc1.c18cccnc1.C4C3=O.CC7C.O45.N36.C68 |
38989 | Cc1ccc(OCC(=O)Nc2nccs2)cc1C | [C][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][S][C] | Cc1ccc5cc1C.c16nccs1.C4C3=O.O45.N36 |
38990 | CCCc1cc(=O)oc2c(C)c(OCC(=O)N(C)C)ccc12 | [C][C][C][C][=C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=C] | c16cc(=O)oc2c(C)c5ccc12.C4C3=O.CCC6.N3(C)C.O45 |
38991 | CCCc1cc(=O)oc2cc(OCC(=O)N(C)C)c(Cl)cc12 | [C][C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring1][Ring1][=C] | c16cc(=O)oc2cc5c(Cl)cc12.C4C3=O.CCC6.N3(C)C.O45 |
38992 | Cc1c(C)c2cc(Cl)c(OCC(=O)N(C)C)cc2oc1=O | [C][C][=C][Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][=C][O][C][Ring2][Ring1][Ring1][=O] | Cc1c(C)c2cc(Cl)c5cc2oc1=O.C4C3=O.N3(C)C.O45 |
38993 | Cc1ccc(S(=O)(=O)NCC(=O)N2C(C)CCCC2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.N13C(C)CCCC1C.C4C3=O.N45 |
38997 | CCC(C)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | C16CCN4CC1.c17ccc(Cl)cc1.CCC5C.C36=O.C47=O.N35 |
38998 | CC(C)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S] | c17ccc(Cl)cc1Cl.C16CCN4CC1.CC5C.C36=O.C47=O.N35 |
38999 | COc1cc(OC)cc(C(=O)N2CCC(C(=O)NC(C)C)CC2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][N][=C][Ring2][Ring1][=Branch1] | c15cc6cc9c1.N13CCC8CC1.C39=O.C48=O.C7(C)C.CO5.O6C.N47 |
39001 | CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 | [C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S] | c16ccc(Cl)cc1Cl.C15CCN4CC1.C35=O.C46=O.CN3 |
39002 | CC(C)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | C16CCN4CC1.c17ccc(Cl)cc1.CC5C.C36=O.C47=O.N35 |
39004 | Cc1nc2ccc(NC(=O)NC3CC3)cc2nc1C | [C][C][=N][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][=N][N][=C][Ring1][P][C] | Cc1nc2ccc6cc2nc1C.C45=O.C17CC1.N46.N57 |
39005 | C=CCN(CC=C)C(=O)Nc1ccc2nc(C)c(C)nc2c1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][C][C][C][Branch1][C][C][=N][C][Ring1][Branch2][=C][Ring1][N] | c17ccc2nc(C)c(C)nc2c1.C=CC5.N356.C6C=C.C34=O.N47 |
39011 | O=C(Nc1ccccc1)Nc1ccc2snnc2c1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][S][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2] | c16ccc2snnc2c1.c15ccccc1.O=C34.N35.N46 |
39013 | CCC(=O)Nc1ccc(NC(=O)c2cccnc2)cc1 | [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.CCC3=O.C47=O.N35.N46 |
39014 | O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccco1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | c15ccc2oc7nc2c1.c17cccnc1.c16ccco1.O=C46.N45 |
39016 | CC1=C(C(=O)N(C)C)C(c2c(F)cccc2Cl)NC(=O)N1 | [C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2] | CC1=C(C3=O)C4NC(=O)N1.c14c(F)cccc1Cl.N3(C)C |
39017 | COc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][N][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | n17c(C)c5c6c1C.c13ccc7c4c1.C5(C)=O.C6(C)=O.CO3.O4C |
39018 | COc1ccc(CNC(=O)c2c(C)nc3ccccn23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c17c(C)nc2ccccn12.c15ccc8cc1.C47=O.CO5.C68.N46 |
39019 | O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccn1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][N][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c17ncn6n1.c16ccccc1.c15ccccn1.O=C3C4.S47.N35 |
39021 | CC(=O)c1cc2c(cc1NC(=O)c1ccc(C)cc1)OCCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][C][O][Ring2][Ring1][C] | c15cc2c(cc14)OCCO2.c16ccc(C)cc1.CC5=O.C36=O.N34 |
39022 | CCCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][S] | c14cc2c(cc15)OCCO2.c16ccccc1.CCCC3=O.C56=O.N34 |
39024 | CC(C)C(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][S] | c14cc2c(cc15)OCCO2.c16ccccc1.CC(C)C3=O.C56=O.N34 |
39027 | COc1nc(Nc2cccc(F)c2)nc(OC)n1 | [C][O][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Branch1][Ring1][O][C][=N][Ring1][S] | c13nc4nc5n1.c16cccc(F)c1.CO3.N56.O4C |
39029 | CCOc1ccc(S(=O)(=O)n2ccnc2CC)c2ccccc12 | [C][C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c14ccc(S(=O)(=O)n2ccnc25)c2ccccc12.CC3.O34.C5C |
39030 | Cc1ccc(S(=O)(=O)NCc2cccnc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P][C] | Cc1ccc(S4(=O)=O)cc1C.c15cccnc1.N34.C35 |
39033 | O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2cccs2)CC1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | c15ccc(F)cc1.C17CCN4CC1.c16cccs1.O=C37.C46=O.N35 |
39034 | O=C(Nc1ccccc1)C1CCN(C(=O)c2cccs2)CC1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | C17CCN4CC1.c15ccccc1.c16cccs1.O=C37.C46=O.N35 |
39035 | Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6cc1.C18CCN5CC1.c17cccs1.C48=O.C57=O.N46 |
39036 | Cc1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | Cc1ccccc15.C17CCN4CC1.c16cccs1.C37=O.C46=O.N35 |
39037 | CC(=O)Nc1cc(C(F)(F)F)ccc1OCC1CCCO1 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][O][C][C][C][C][C][O][Ring1][Branch1] | c15cc7ccc14.C16CCCO1.C7(F)(F)F.CC2=O.N25.O34.C36 |
39038 | O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2cccs2)CC1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | c15cccc(F)c1.C17CCN4CC1.c16cccs1.O=C37.C46=O.N35 |
39039 | CNC(=O)C1CCN(C(=O)c2cccs2)CC1 | [C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | C16CCN4CC1.c15cccs1.C36=O.C45=O.CN3 |
39040 | COc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c16ccc7cc1.C19CCN5CC1.c18cccs1.C49=O.C58=O.CO6.N47 |
39041 | Cc1cccc(C)c1NC(=O)C1CCN(C(=O)c2cccs2)CC1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | Cc1cccc(C)c15.C17CCN4CC1.c16cccs1.C37=O.C46=O.N35 |
39042 | Cc1cccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][=Branch1] | Cc1cccc6c1.C18CCN5CC1.c17cccs1.C48=O.C57=O.N46 |
39043 | Cc1cccc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][=N][Ring2][Ring1][=Branch1] | Cc1cccc5n1.C16CC(=O)N7C1.c17ccc(Cl)cc1.C46=O.N45 |
39044 | Cc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1 | [C][C][=N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][S][Ring2][Ring1][C] | Cc1nc2ccc(S4(=O)=O)cc2s1.N14CCCCC1 |
39045 | O=C(Nc1cccc(F)c1)C1COc2ccccc2O1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14cccc(F)c1.O=C35.N34 |
39046 | O=C(NCCC1=CCCCC1)C1COc2ccccc2O1 | [O][=C][Branch1][N][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.C4CC1=CCCCC1.O=C35.N34 |
39047 | O=S(=O)(Nc1ccc(F)cc1F)c1ccc2c(c1)OCCO2 | [O][=S][=Branch1][C][=O][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | O=S3(=O)c1ccc2c(c1)OCCO2.c14ccc(F)cc1F.N34 |
39048 | O=C(Nc1ccc2c(c1)OCCO2)C1COc2ccccc2O1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | c14ccc2c(c1)OCCO2.C15COc2ccccc2O1.O=C35.N34 |
39049 | CCc1nnc(NC(=O)CSc2ncccn2)s1 | [C][C][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][S][Ring1][S] | c16nnc5s1.c17ncccn1.C3(=O)C4.CC6.N35.S47 |
39051 | Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1-n1cnnn1 | [C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][N][C][=N][N][=N][Ring1][Branch1] | Cc1cc(S4(=O)=O)ccc16.c15ccccc1.n16cnnn1.N34.C35 |
39052 | Cc1cc(C)n2nc(C(=O)NCc3cccs3)cc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n2nc6cc2n1.c17cccs1.C46=O.N45.C57 |
39053 | Cc1cc(C)n2nc(C(=O)NCc3ccc4c(c3)OCO4)cc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C][N][=Ring2][Ring1][#Branch1] | Cc1cc(C)n2nc7cc2n1.c18ccc2c(c1)OCO2.C57=O.N56.C68 |
39054 | O=C(Nc1ccccc1Cl)c1ccc2nccnc2c1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2nccnc2c1.c14ccccc1Cl.O=C35.N34 |
39056 | Cc1ccc(-n2c(C)nc3ccccc3c2=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][C][C] | n14c(C)nc2ccccc2c1=O.Cc1ccc4cc1C |
39057 | CCc1ccc(N(CC(=O)N2CCCCCC2)S(C)(=O)=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | c17ccc6cc1.N13CCCCCC1.C4C3=O.S5(C)(=O)=O.N456.CC7 |
39058 | COC(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 | [C][O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc2c(c1)OCCO2.c16ccccc1.C46C3=O.CO4.N35 |
39059 | CCc1ccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring2] | c17ccc6cc1.N13CCCCC1.C4C3=O.S5(C)(=O)=O.N456.CC7 |
39060 | CCOC(=O)C1CCN(C(=O)C2COc3ccccc3O2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][C][Ring2][Ring1][C] | C17COc2ccccc2O1.C18CCN5CC1.C48=O.C57=O.CC6.O46 |
39061 | COc1cc(S(=O)(=O)n2cnc3ccccc32)ccc1Cl | [C][O][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][C][Cl] | c14cc(S(=O)(=O)n2cnc3ccccc32)ccc1Cl.CO4 |
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