ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
27003 | O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)C1CC1 | [O][=C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S][C][C][C][Ring1][Ring1] | c16ccc(S5(=O)=O)cc1.c18ccco1.O=C37.C17CC1.N36.N45.C48 |
27004 | Cn1c(SCC(=O)NCc2ccco2)nnc1-c1cccs1 | [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][=C][S][Ring1][Branch1] | Cn1c7nnc18.c16ccco1.c18cccs1.C5C3=O.S57.N34.C46 |
27005 | CC1CCCN(C(=O)CSc2nnc(-c3cccs3)n2C)C1 | [C][C][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C][C][Ring2][Ring1][Branch1] | CC1CCCN4C1.c16nnc7n1C.c17cccs1.C4(=O)C5.S56 |
27007 | O=C1OCc2cc(NC(=O)C3CCCCC3)ccc21 | [O][=C][O][C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][C] | O=C1OCc2cc5ccc21.C16CCCCC1.C46=O.N45 |
27008 | Cc1ccccc1OCC(=O)Nc1ccc2c(c1)COC2=O | [C][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][C][O][C][Ring1][=Branch1][=O] | c16ccc2c(c1)COC2=O.Cc1ccccc15.C4C3=O.O45.N36 |
27009 | COc1ccccc1C(=O)Nc1ccc2c(c1)COC2=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O] | c15ccc2c(c1)COC2=O.c14ccccc16.C36=O.CO4.N35 |
27010 | O=C(Nc1nnc(Cc2ccccc2)s1)C1CC1 | [O][=C][Branch2][Ring1][Ring2][N][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N][C][C][C][Ring1][Ring1] | c14nnc6s1.c17ccccc1.O=C35.C15CC1.N34.C67 |
27011 | O=C(Nc1nnc(Cc2ccccc2)s1)c1ccncc1 | [O][=C][Branch2][Ring1][Ring2][N][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14nnc6s1.c17ccccc1.c15ccncc1.O=C35.N34.C67 |
27012 | O=C(Nc1nnc(Cc2ccccc2)s1)C1CCCO1 | [O][=C][Branch2][Ring1][Ring2][N][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N][C][C][C][C][O][Ring1][Branch1] | c14nnc6s1.c17ccccc1.C15CCCO1.O=C35.N34.C67 |
27013 | O=C(Nc1nnc(Cc2ccccc2)s1)c1cnccn1 | [O][=C][Branch2][Ring1][Ring2][N][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N][C][=C][N][=C][C][=N][Ring1][=Branch1] | c14nnc6s1.c17ccccc1.c15cnccn1.O=C35.N34.C67 |
27014 | O=C(Nc1nnc(-c2ccccc2F)s1)c1ccco1 | [O][=C][Branch2][Ring1][Ring2][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][N][C][=C][C][=C][O][Ring1][Branch1] | c16ccccc1F.c14nnc6s1.c15ccco1.O=C35.N34 |
27015 | CCC(=O)Nc1nnc(-c2ccccc2F)s1 | [C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][N] | c15ccccc1F.c14nnc5s1.CCC3=O.N34 |
27016 | CC(C)C(=O)Nc1nnc(-c2ccccc2F)s1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][N] | c15ccccc1F.c14nnc5s1.CC(C)C3=O.N34 |
27017 | O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccco1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N][C][=C][C][=C][O][Ring1][Branch1] | c15cccc6c1.c17ccco1.O=C37.C48=O.C18CC1.N35.N46 |
27018 | O=C(Nc1cccc(NC(=O)C2CCCO2)c1)c1ccco1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | c15cccc6c1.C17CCCO1.c18ccco1.O=C38.C47=O.N35.N46 |
27020 | COc1ccc(-c2nnc(NC(=O)C3CCCO3)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][S][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c15ccc8cc1.c18nnc6s1.C17CCCO1.C47=O.CO5.N46 |
27022 | O=C(Nc1nnc(Cc2ccc(F)cc2)s1)C1CC1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=N][N][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][=N][C][C][C][Ring1][Ring1] | c17ccc(F)cc1.c14nnc6s1.O=C35.C15CC1.N34.C67 |
27023 | O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cccnc1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=N][N][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17ccc(F)cc1.c14nnc6s1.c15cccnc1.O=C35.N34.C67 |
27024 | O=C(Nc1nnc(Cc2ccc(F)cc2)s1)C1CCCO1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=N][N][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][=N][C][C][C][C][O][Ring1][Branch1] | c17ccc(F)cc1.c14nnc6s1.C15CCCO1.O=C35.N34.C67 |
27028 | CCC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc7cc1.c18cccnc1.CCC3=O.C47=O.N36.N45.C58 |
27029 | CC(C)CC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc7cc1.CC(C)CC3=O.c18cccnc1.C47=O.N36.N45.C58 |
27031 | CCC(=O)Nc1nnc(SCC(=O)N(CC)CC)s1 | [C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][S][Ring1][=C] | c17nnc8s1.CCC2=O.C6C3=O.N345.N27.S68.C4C.C5C |
27032 | Cc1cc(C)c2nc(SCC(=O)N3CCOCC3)c(C#N)cc2c1 | [C][C][=C][C][Branch1][C][C][=C][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch1] | Cc1cc(C)c2nc6c(C#N)cc2c1.N14CCOCC1.C5C4=O.S56 |
27033 | Cc1ccc2cc(C#N)c(SCC(=O)N3CCOCC3)nc2c1C | [C][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1][C] | Cc1ccc2cc(C#N)c6nc2c1C.N14CCOCC1.C5C4=O.S56 |
27034 | CCc1ccc2nc(SCC(=O)N3CCOCC3)c(C#N)cc2c1 | [C][C][C][=C][C][=C][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c16ccc2nc7c(C#N)cc2c1.N14CCOCC1.C5C4=O.CC6.S57 |
27035 | Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1cccnc1 | [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][N][=C][Ring1][=Branch1] | Cn1c5nnc16.c16cccnc1.C4C2=O.C3(C)(C)C.S45.N23 |
27036 | Cc1ccc(NC(=O)CSc2nnnn2-c2cccc(F)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc5cc1.c16cccc(F)c1.c17nnnn16.C3(=O)C4.N35.S47 |
27037 | Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1cccnc1 | [C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1ccc5cc16.c18cccnc1.c17cccs1.C37=O.C48=O.N35.N46 |
27038 | CC(=O)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O][O][C][C][O][Ring1][O][C][C][C][C][C][Ring1][Branch1] | c17cc2cc3c(cc2[nH]c1=O)OCCO3.C16CCCC1.CC4=O.N456.C57 |
27039 | Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccccc1 | [C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c6nnc17.c15cccc(F)c1.c17ccccc1.C4C3=O.S46.N35 |
27040 | Cn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccc1 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c6nnc17.c17ccccc1.C15CCCC1.C4C3=O.S46.N35 |
27041 | CCn1c(SCC(=O)OC)nnc1-c1ccccc1 | [C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][=N][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n14c5nnc16.c16ccccc1.C3C2=O.CC4.S35.O2C |
27042 | COc1ccc(C(=O)CSc2nnc(C3CC3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring1] | c14ccc6cc1.c17nnc8n1C.C6(=O)C5.C18CC1.CO4.S57 |
27043 | CC(C)c1nnc(SCC(=O)c2ccc(F)cc2)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][S][C] | c15nnc6n1C.c14ccc(F)cc1.C3C4=O.CC5C.S36 |
27044 | CC(C)c1nnc(SCC(=O)c2ccc(Cl)cc2)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][S][C] | c15nnc6n1C.c14ccc(Cl)cc1.C3C4=O.CC5C.S36 |
27045 | Cn1c(SCC(=O)c2ccccc2F)nnc1C1CC1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][S][C][C][C][Ring1][Ring1] | Cn1c5nnc16.c14ccccc1F.C3C4=O.C16CC1.S35 |
27046 | Cn1c(SCC(=O)c2ccccc2)nnc1C1CC1 | [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][Ring1][Ring1] | Cn1c5nnc16.c14ccccc1.C3C4=O.C16CC1.S35 |
27047 | COc1cccc(C(=O)CSc2nnc(C3CC3)n2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c14cccc6c1.c17nnc8n1C.C6(=O)C5.C18CC1.CO4.S57 |
27048 | Cc1ccc(C(=O)CSc2nnc(C3CC3)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.c16nnc7n1C.C5(=O)C4.C17CC1.S46 |
27049 | COc1cccc(-n2c(SCC(N)=O)nnc2-c2cccnc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c13cccc5c1.n15c6nnc17.c17cccnc1.C4C(N)=O.CO3.S46 |
27050 | Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3C)C3CC3)cc2c1 | [C][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][Ring1][=C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] | Cc1ccc2[nH]c(=O)c8cc2c1.c17ccccc1C.N456.C47=O.C16CC1.C58 |
27051 | Cc1cccc(-n2c(SCC(N)=O)nnc2-c2ccncc2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][C] | Cc1cccc4c1C.n14c5nnc16.c16ccncc1.C3C(N)=O.S35 |
27052 | CCc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccco3)cc2c1 | [C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c18ccc2[nH]c(=O)c9cc2c1.c17ccco1.N456.C6CO.C47=O.CC8.C59 |
27053 | CCC(=O)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O | [C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O] | c18cc2cc4ccc2[nH]c1=O.c17ccco1.CCC3=O.N356.C57.C68.O4C |
27054 | O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cccc(F)c1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cccc6c1.c18cccc(F)c1.c17ccco1.O=C38.C47=O.N35.N46 |
27055 | CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1C(C)C | [C][C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][Branch1][C][C][C] | n16c7nnc18.c15cccc(F)c1.C4C3=O.C7(C)C.CC6.S48.N35 |
27056 | Cc1nn(-c2ccccc2)c2nc(=O)n(-c3cccc(Cl)c3)cc12 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1][Ring1][=C] | Cc1nn4c2nc(=O)n5cc12.c15cccc(Cl)c1.c14ccccc1 |
27057 | CCc1nnc(NC(=O)CSc2nnc(C(C)C)n2C)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][S][Ring2][Ring1][Ring1] | c18nnc7n1C.c16nnc5s1.C3(=O)C4.C7(C)C.CC6.N35.S48 |
27058 | Cc1ccc(-c2nnc(SCC(N)=O)n2Cc2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.c17nnc6n14.c15ccccc1.C3C(N)=O.S36.C45 |
27059 | NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 | [N][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][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15nnc6n14.c14ccc(Cl)cc1.c16ccncc1.NC(=O)C3.S35 |
27060 | Cn1cc(-c2nnc(-c3ccco3)o2)c2ccccc21 | [C][N][C][=C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | Cn1cc5c2ccccc21.c15nnc4o1.c14ccco1 |
27061 | COc1cc(NC(=O)c2ccco2)c(OC)cc1N | [C][O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][S][N] | c14cc6c5cc1N.c17ccco1.C37=O.CO4.N36.O5C |
27063 | O=C(CSc1nnc(-c2ccc(O)cc2)o1)N1CCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][Ring1][N][N][C][C][C][C][Ring1][Branch1] | c16ccc(O)cc1.c15nnc6o1.N13CCCC1.O=C3C4.S45 |
27065 | O=C(CSc1nnc(-c2ccc(O)cc2)o1)N1CCCCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][Ring1][N][N][C][C][C][C][C][C][Ring1][#Branch1] | c16ccc(O)cc1.N13CCCCCC1.c15nnc6o1.O=C3C4.S45 |
27067 | O=C(Nc1ccc2c(c1)COC2=O)c1ccccc1Cl | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14ccc2c(c1)COC2=O.c15ccccc1Cl.O=C35.N34 |
27068 | O=C(Nc1ccc2c(c1)COC2=O)c1ccccc1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc2c(c1)COC2=O.c15ccccc1.O=C35.N34 |
27069 | NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][C][=C][O][Ring1][Branch1] | c16nnc7n14.c17cccnc1.c15ccco1.NC(=O)C3.S36.C45 |
27070 | c1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=N][N][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c16nc2ccccc2s1.c1ccc7cc1.c17nnn5n1.C56 |
27071 | COc1ccccc1-c1nnn(Cc2nc3ccccc3s2)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][=Ring1][#C] | c16nc2ccccc2s1.c14ccccc17.c17nnn5n1.CO4.C56 |
27072 | Fc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=N][N][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c16nc2ccccc2s1.Fc1ccc7cc1.c17nnn5n1.C56 |
27073 | c1csc(-c2nnn(Cc3nc4ccccc4s3)n2)c1 | [C][=C][S][C][Branch2][Ring1][Branch2][C][N][=N][N][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][=Ring1][#C][=C][Ring2][Ring1][Ring2] | c16nc2ccccc2s1.c17nnn5n1.c1csc7c1.C56 |
27074 | COC(=O)CCn1nnc(-c2ccc(F)cc2)n1 | [C][O][C][=Branch1][C][=O][C][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N] | c15ccc(F)cc1.n14nnc5n1.C3(=O)CC4.CO3 |
27075 | COC(=O)CCn1nnc(-c2ccc(Cl)cc2)n1 | [C][O][C][=Branch1][C][=O][C][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N] | c15ccc(Cl)cc1.n14nnc5n1.C3(=O)CC4.CO3 |
27076 | COC(=O)CCn1nnc(-c2ccc(C(C)C)cc2)n1 | [C][O][C][=Branch1][C][=O][C][C][N][N][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][Ring1][=C] | c16ccc5cc1.n14nnc6n1.C3(=O)CC4.C5(C)C.CO3 |
27077 | O=C(Cn1nnc(-c2ccccc2)n1)OCC(=O)c1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16nnc7n1.c17ccccc1.c15ccccc1.O=C3C6.C4C5=O.O34 |
27078 | O=C(Cn1nnc(-c2ccccc2F)n1)OCC(=O)c1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccccc1F.n16nnc7n1.c15ccccc1.O=C3C6.C4C5=O.O34 |
27079 | CN(C)c1ccc(-c2nnn(CC(=O)Nc3ccccc3O)n2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][=N][N][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.c16ccccc1O.c18nnn7n1.C7C4=O.CN5C.N46 |
27080 | CN(C)c1ccc(-c2nnn(CC(=O)N3CCCC3)n2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][=N][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][=Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c15ccc7cc1.c17nnn6n1.N14CCCC1.C6C4=O.CN5C |
27081 | CC1CCCN(C(=O)Cn2nnc(-c3ccc(N(C)C)cc3)n2)C1 | [C][C][C][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][Ring1][=C][C][Ring2][Ring1][#Branch1] | CC1CCCN4C1.c17ccc5cc1.n16nnc7n1.C4(=O)C6.N5(C)C |
27082 | CN(C)c1ccc(-c2nnn(CC(=O)N(C)C3CCCCC3)n2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][N][C][N][=N][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.c18nnn7n1.C16CCCCC1.C7C4=O.CN5C.N46C |
27083 | CN(C)c1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=N][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c15ccc8cc1.c18nnn7n1.C16CCCCC1.C7C4=O.CN5C.N46 |
27084 | CC1CCCCC1NC(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1 | [C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][Ring1][=C] | CC1CCCCC15.c17ccc4cc1.n16nnc7n1.C3(=O)C6.N4(C)C.N35 |
27086 | Cc1ccc2ccccc2c1NC(=O)Cn1nnc(-c2cccnc2)n1 | [C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][O] | Cc1ccc2ccccc2c14.n15nnc6n1.c16cccnc1.C3(=O)C5.N34 |
27087 | COC(=O)c1ccc(NC(=O)Cn2nnc(-c3cccnc3)n2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c17ccc6cc1.n18nnc9n1.c19cccnc1.C5(=O)C8.C47=O.CO4.N56 |
27088 | CC1CCCN(C(=O)Cn2nnc(-c3cccnc3)n2)C1 | [C][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][O][C][Ring2][Ring1][Ring2] | CC1CCCN4C1.n15nnc6n1.c16cccnc1.C4(=O)C5 |
27089 | O=C(Cn1nnc(-c2cccnc2)n1)NCC1CCCO1 | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][O][N][C][C][C][C][C][O][Ring1][Branch1] | n15nnc7n1.c17cccnc1.C16CCCO1.O=C3C5.N34.C46 |
27090 | Cc1ccc(C(=O)Cn2nnc(-c3cccnc3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][Ring2] | Cc1ccc4cc1.n15nnc6n1.c16cccnc1.C4(=O)C5 |
27092 | Cc1cccc2nc(-c3cccnc3)c(NCCC(C)C)n12 | [C][C][=C][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][=Branch2][N][C][C][C][Branch1][C][C][C][N][Ring2][Ring1][Branch1][Ring1][P] | Cc1cccc2nc6c5n12.c16cccnc1.C4CC(C)C.N45 |
27093 | CCN(CC)C(=O)CSc1nnc2c(n1)[nH]c1ccc(OC)cc12 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Ring1][N] | c18nnc2c(n1)[nH]c1ccc4cc12.C3(=O)C7.N356.CC5.C6C.S78.O4C |
27094 | CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | n16c7nc2ccccc21.c15c(C)cccc1C.C4C3=O.CC6.S47.N35 |
27095 | CCN(CC)C(=O)CSc1nc2ccccc2n1CC | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C] | c18nc2ccccc2n17.C3(=O)C6.N345.CC4.C5C.S68.C7C |
27096 | CCn1c(SCC(=O)N2CCCCC2)nc2ccccc21 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n15c6nc2ccccc21.N13CCCCC1.C4C3=O.CC5.S46 |
27097 | CCn1c(SCC(=O)N2CCOCC2)nc2ccccc21 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n15c6nc2ccccc21.N13CCOCC1.C4C3=O.CC5.S46 |
27098 | CCn1c(SCC(=O)NCc2ccco2)nc2ccccc21 | [C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | n16c8nc2ccccc21.c17ccco1.C5C3=O.CC6.S58.N34.C47 |
27099 | CCOC(=O)CSc1nc2ccccc2n1CC | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C] | c17nc2ccccc2n16.C3(=O)C5.CC4.O34.S57.C6C |
27100 | CC(=O)NC(c1cccc(C)c1)n1nnc2ccccc21 | [C][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n15nnc2ccccc21.c16cccc(C)c1.CC3=O.C456.N34 |
27101 | CC(=O)NC(c1ccc(C)cc1)n1nnc2ccccc21 | [C][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n15nnc2ccccc21.c16ccc(C)cc1.CC3=O.C456.N34 |
27102 | COc1ccc(C(NC(C)=O)n2nnc3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | n17nnc2ccccc21.c15ccc8cc1.C678.C4(C)=O.CO5.N46 |
27103 | Cc1ccc(C(=O)NC(c2cccnc2)n2nnc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch2] | n17nnc2ccccc21.Cc1ccc6cc1.c18cccnc1.C46=O.C578.N45 |
27104 | Cc1ccc(-c2nnn(CC(=O)N3CCCC3)n2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][=N][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][=Ring1][=N][O][Ring2][Ring1][C] | Cc1ccc6o1.c16nnn5n1.N14CCCC1.C5C4=O |
27105 | Cc1ccc(-c2nnn(CC(=O)N3CCC(C)CC3)n2)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][=N][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][N][=Ring1][#C][O][Ring2][Ring1][Ring2] | N14CCC(C)CC1.Cc1ccc6o1.c16nnn5n1.C5C4=O |
27106 | Cc1ccc(-c2nnn(CC(=O)N3CCCC(C)C3)n2)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][=N][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][N][=Ring1][#C][O][Ring2][Ring1][Ring2] | N14CCCC(C)C1.Cc1ccc6o1.c16nnn5n1.C5C4=O |
27108 | Cn1nnnc1SCC(=O)Nc1cccc(F)c1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c14cccc(F)c1.Cn1nnnc15.C3C2=O.S35.N24 |
27109 | Cn1nnnc1SCC(=O)Nc1nc2ccccc2s1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c15nc2ccccc2s1.Cn1nnnc16.C4C3=O.S46.N35 |
27111 | CC1Cc2ccccc2N1C(=O)CSc1nnnn1C | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C] | CC1Cc2ccccc2N13.c15nnnn1C.C3(=O)C4.S45 |
27112 | Cn1nnnc1SCC(=O)Nc1ccc2c(c1)OCCO2 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.Cn1nnnc16.C4C3=O.S46.N35 |
27113 | Cn1nnnc1SCC(=O)Nc1ccc2c(c1)OCO2 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.Cn1nnnc16.C4C3=O.S46.N35 |
27118 | c1ccc2c(c1)CCCN2Cc1nnnn1C1CCCCC1 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c1ccc2c(c1)CCCN23.c14nnnn15.C15CCCCC1.C34 |
27120 | CC1CCCCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 | [C][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O] | S3(=O)(=O)c1ccc4cc1.CC1CCCCN13.n14cnnn1 |
27121 | O=S(=O)(c1ccc(-n2cnnn2)cc1)N1CCCCCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][N][C][C][C][C][C][C][Ring1][#Branch1] | O=S3(=O)c1ccc4cc1.N13CCCCCC1.n14cnnn1 |
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