ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
36918 | CSc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c16ccc(S4(=O)=O)cc1.c15ccccc1.C3C5.CS6.N34 |
36919 | CN(C)C(=O)c1ccccc1NS(=O)(=O)c1ccccc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.c15ccccc14.CN2C.C25=O.N34 |
36920 | CC(=O)c1cccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Ring1] | c17cccc6c1.N13CCCC1.C4C3=O.S5(C)(=O)=O.CC7=O.N456 |
36921 | COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl | [C][O][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][Ring1][P][Cl] | c13ccc(S5(=O)=O)cc1Cl.c16ccccc1.CO3.N45.C46 |
36922 | Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S5(=O)=O)cc1.c16ccccc17.C37=O.C4(C)C.N56.N34 |
36923 | Cc1ccc(N(C(C)C(=O)N2CCCC2)S(C)(=O)=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring2][C] | Cc1ccc6cc1C.C4(C)C3=O.N13CCCC1.S5(C)(=O)=O.N456 |
36924 | CC(=O)c1cccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)c1 | [C][C][=Branch1][C][=O][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][Ring2][Ring1][Ring2] | c17cccc6c1.N13CCCCC1.C4C3=O.S5(C)(=O)=O.CC7=O.N456 |
36925 | CCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl | [C][C][C][=Branch1][C][=O][N][C][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][Ring1][#C][Cl] | c15cc2nn6nc2cc1Cl.c16ccccc1.CCC4=O.N45 |
36927 | O=C(CCC(=O)OCc1ccc(Cl)cc1)Nc1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C3CCC2=O.c16ccc(Cl)cc1.c15ccccc1.O24.C46.N35 |
36928 | CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccccc1F | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | C3(=O)C1=C(c2ccccc2)NC(=O)NC15.c15ccccc1F.CC4.O34 |
36931 | O=S(=O)(c1ccc(-c2cn3cccnc3n2)cc1)N1CCCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring1][#C][N][C][C][C][C][Ring1][Branch1] | O=S4(=O)c1ccc5cc1.c15cn2cccnc2n1.N14CCCC1 |
36932 | Cn1c(C2CC(=O)N(c3ccccc3)C2)nc2ccccc21 | [C][N][C][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | Cn1c5nc2ccccc21.C15CC(=O)N4C1.c14ccccc1 |
36933 | CC(C)Cn1c(C2CC(=O)N(c3ccccc3)C2)nc2ccccc21 | [C][C][Branch1][C][C][C][N][C][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n14c6nc2ccccc21.C16CC(=O)N5C1.c15ccccc1.CC(C)C4 |
36934 | C=C(C)Cn1c(C2CC(=O)N(c3ccccc3)C2)nc2ccccc21 | [C][=C][Branch1][C][C][C][N][C][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n14c6nc2ccccc21.C16CC(=O)N5C1.c15ccccc1.C=C(C)C4 |
36935 | CCCn1c(C2CC(=O)N(c3ccccc3)C2)nc2ccccc21 | [C][C][C][N][C][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n14c6nc2ccccc21.C16CC(=O)N5C1.c15ccccc1.CCC4 |
36936 | OCc1nc2ccccc2n1Cc1c(F)cccc1Cl | [O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | c14nc2ccccc2n13.c15c(F)cccc1Cl.OC4.C35 |
36937 | Cc1ccccc1OCCn1c(C(C)O)nc2ccccc21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][Branch1][=Branch1][C][Branch1][C][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | n15c6nc2ccccc21.Cc1ccccc14.C3C5.C6(C)O.O34 |
36938 | CCOc1ccc(N2CC(c3nc4ccccc4n3C)CC2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | c18nc2ccccc2n1C.c16ccc7cc1.N17CC8CC1=O.CC5.O56 |
36941 | COCc1nc2ccccc2n1Cc1ccc(F)cc1 | [C][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15nc2ccccc2n14.c16ccc(F)cc1.CO3.C35.C46 |
36942 | Cc1ccc(C)c(Cn2c(CO)nc3ccccc32)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring1][C][N][C][Branch1][Ring1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][Ring1] | n14c5nc2ccccc21.Cc1ccc(C)c6c1.C46.C5O |
36943 | COCc1nc2ccccc2n1CC1CC1(Cl)Cl | [C][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl] | c15nc2ccccc2n14.C16CC1(Cl)Cl.CO3.C35.C46 |
36944 | OCc1nc2ccccc2n1CC1CC1(Cl)Cl | [O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl] | c14nc2ccccc2n13.C15CC1(Cl)Cl.OC4.C35 |
36946 | CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccccc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc16.c17ccccc1.CCC3=O.C4C7=O.C26=O.N35.O24 |
36947 | COCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C | [C][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] | c18nc2ccccc2n17.c16ccccc1.C7C3=O.N356.C5(C)C.CO4.C48 |
36948 | COC(=O)c1ccc(C(=O)OC)c2c(C(=O)OC)cccc12 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Ring2][Ring1][C][Ring1][#Branch2] | c16ccc7c2c8cccc12.C36=O.C47=O.C58=O.CO3.O4C.O5C |
36950 | Cc1ccc(S(=O)(=O)NCc2ccccc2)c(C)c1 | [C][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][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc(S4(=O)=O)c(C)c1.c15ccccc1.N34.C35 |
36951 | CCc1cc2c(=O)n(-c3cccc(OC)c3)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=N][C][=Ring1][#C][S][Ring2][Ring1][C] | c15cc2c(=O)n6cnc2s1.c16cccc4c1.CC5.O4C |
36954 | CC1(C)CC2CC(C)(CN2C(=O)c2ccccc2)C1 | [C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][P][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C] | CC1(C)CC2CC(C)(CN23)C1.c14ccccc1.C34=O |
36955 | O=C(NCc1ccccc1Cl)c1cccc(F)c1 | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15ccccc1Cl.c14cccc(F)c1.O=C24.N23.C35 |
36957 | O=C(c1cccc(F)c1)N(CCO)Cc1ccccc1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cccc(F)c1.c16ccccc1.O=C25.N234.C3CO.C46 |
36959 | Cc1nc(SCC(N)=O)c2c(C)c(C)sc2n1 | [C][C][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring1][S] | Cc1nc4c2c(C)c(C)sc2n1.C3C(N)=O.S34 |
36960 | CC(C(=O)Nc1ccncc1)(c1ccccc1)c1ccccc1 | [C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC45C2=O.c13ccncc1.c14ccccc1.c15ccccc1.N23 |
36961 | CCc1cc2c(SCC(=O)NCc3ccccc3)ncnc2s1 | [C][C][C][=C][C][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][=C][Ring2][Ring1][C][S][Ring2][Ring1][Branch1] | c17cc2c9ncnc2s1.c18ccccc1.C6C4=O.CC7.S69.N45.C58 |
36963 | O=c1c(Cl)c(NC2CC2)cnn1-c1ccccc1 | [O][=C][C][Branch1][C][Cl][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=N][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c(Cl)c3cnn15.c15ccccc1.C14CC1.N34 |
36964 | CC1=C(C(=O)Nc2ccc(F)cc2)C(c2cccs2)NC(=O)N1 | [C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C5NC(=O)N1.c14ccc(F)cc1.c15cccs1.N34 |
36965 | CC1=C(C(=O)Nc2ccc(F)cc2)C(c2ccc(F)cc2)NC(=O)N1 | [C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2] | CC1=C(C3=O)C5NC(=O)N1.c14ccc(F)cc1.c15ccc(F)cc1.N34 |
36966 | Cc1nc2ccccc2c(=O)n1-c1nc2ccccc2n1C | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | Cc1nc2ccccc2c(=O)n13.c13nc2ccccc2n1C |
36967 | Cc1cc(C)n2c(Nc3ccc(S(N)(=O)=O)cc3)nnc2n1 | [C][C][C][=C][Branch1][C][C][N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][N][=C][Ring1][S][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n2c4nnc2n1.c15ccc(S(N)(=O)=O)cc1.N45 |
36969 | Cc1sc2ncnc(NCC3CCCO3)c2c1C | [C][C][S][C][=N][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=C][Ring1][=N][C][=Ring1][S][C] | Cc1sc2ncnc5c2c1C.C16CCCO1.N45.C46 |
36970 | CCc1cc2c(NCC3CCCO3)ncnc2s1 | [C][C][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][N][=C][N][=C][Ring1][=N][S][Ring1][S] | c17cc2c5ncnc2s1.C16CCCO1.CC7.N45.C46 |
36971 | Cc1nc(NC2CCCC2)c2c(C)c(C)sc2n1 | [C][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring1][P] | Cc1nc3c2c(C)c(C)sc2n1.C14CCCC1.N34 |
36972 | c1nc(NC2CCCC2)c2c3c(sc2n1)CCC3 | [C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][#C][C][C][C][Ring1][Branch2] | c1nc4c2c3c(sc2n1)CCC3.C15CCCC1.N45 |
36974 | Nc1nc(Nc2ccccc2O)nc2ccccc12 | [N][C][=N][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=N][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | Nc1nc3nc2ccccc12.c14ccccc1O.N34 |
36975 | CN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 | [C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S5(=O)(=O)c1ccc(F)cc1.c16ccccc1.C3C2=O.CN35.N24.C46 |
36976 | CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(F)cc1 | [C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(F)cc1.C15CCCCC1.C3C2=O.CN34.N25 |
36977 | COc1ccc(OCc2nnc(SCC(N)=O)n2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][N][C][=C][Ring2][Ring1][Ring1] | c14ccc5cc1.c17nnc8n1N.C6C(N)=O.CO4.O35.C37.S68 |
36978 | Cc1nc(SCC(=O)NCc2ccco2)c2c(C)c(C)sc2n1 | [C][C][=N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1] | Cc1nc7c2c(C)c(C)sc2n1.c16ccco1.C5C3=O.S57.N34.C46 |
36979 | O=C(c1ccccc1)c1cn(CC(=O)N2CCCC2)c2ccccc12 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c15cn6c2ccccc12.c14ccccc1.N13CCCC1.C6C3=O.O=C45 |
36981 | NC(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21 | [N][C][=Branch1][C][=O][C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n15cc3c2ccccc21.c14ccccc1.NC(=O)C5.C34=O |
36982 | COC(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21 | [C][O][C][=Branch1][C][=O][C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n16cc4c2ccccc21.c15ccccc1.C3(=O)C6.C45=O.CO3 |
36984 | O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCc1cccs1 | [O][=C][Branch2][Ring1][#Branch2][C][N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][N][C][C][=C][C][=C][S][Ring1][Branch1] | n17cc6c2ccccc21.c18cccs1.O=C3C7.C56=O.C15CC1.N34.C48 |
36985 | CC1CCN(C(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)CC1 | [C][C][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][C][Ring2][Ring1][#Branch1] | n17cc6c2ccccc21.CC1CCN4CC1.C4(=O)C7.C56=O.C15CC1 |
36986 | COC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 | [C][O][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | n16cc5c2ccccc21.C3(=O)C6.C45=O.C14CC1.CO3 |
36987 | Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | n17cc6c2ccccc21.Cc1cccc(C)c14.C3(=O)C7.C56=O.C15CC1.N34 |
36988 | CCOC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 | [C][C][O][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | n17cc6c2ccccc21.C3(=O)C7.C56=O.C15CC1.CC4.O34 |
36989 | COC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21 | [C][O][C][=Branch1][C][=O][C][N][C][=C][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | n16cc5c2ccccc21.c14cccs1.C3(=O)C6.C45=O.CO3 |
36990 | CC1CCCCN1C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | n16cc5c2ccccc21.CC1CCCCN13.C3(=O)C6.C45=O.C14CC1 |
36991 | CC1CCCC(C)N1C(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | n16cc5c2ccccc21.CC1CCCC(C)N13.C3(=O)C6.C45=O.C14CC1 |
36993 | C=CCN(C(C)=O)c1nc(-c2c[nH]c3ccccc23)cs1 | [C][=C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=N][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][S][Ring1][=C] | c17c[nH]c2ccccc12.c16nc7cs1.C=CC5.N456.C4(C)=O |
36996 | Cc1nc(-c2ccc(NC(=O)c3ccccn3)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C][=C][S][Ring2][Ring1][Ring2] | c17ccc5cc1.Cc1nc7cs1.c16ccccn1.C46=O.N45 |
36997 | Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1 | [N][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][=C][C][=C][Ring1][=Branch1] | Nn1c6nnc17.C15CCCCC1.c17ccccc1.C4C3=O.S46.N35 |
36998 | Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1N | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][N] | Cc1ccccc15.c16nnc7n1N.c17ccccc1.C3(=O)C4.N35.S46 |
36999 | Nn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1 | [N][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][=C][C][=C][Ring1][=Branch1] | Nn1c6nnc17.c15ccccc1.c17ccccc1.C4C3=O.S46.N35 |
37001 | CCn1c(SCC(=O)OC)nnc1-c1cccc(Cl)c1 | [C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][=N][N][=C][Ring1][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | n14c5nnc16.c16cccc(Cl)c1.C3C2=O.CC4.S35.O2C |
37002 | Cc1ccc(C)c(NC(=O)CSc2ncccn2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1ccc(C)c5c1.c16ncccn1.C3(=O)C4.N35.S46 |
37004 | Cc1ccnc(SCC(=O)Nc2cccc(Cl)c2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Cc1ccnc6n1.c15cccc(Cl)c1.C4C3=O.S46.N35 |
37005 | Cc1ccnc(SCC(=O)Nc2ccc(Cl)cc2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Cc1ccnc6n1.c15ccc(Cl)cc1.C4C3=O.S46.N35 |
37006 | Nc1cc(N)nc(SCc2ccc(Br)cc2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring1][S] | Nc1cc(N)nc5n1.c14ccc(Br)cc1.S35.C34 |
37007 | Cc1ccc(C)c(OCC(=O)NCc2ccccc2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | Cc1ccc(C)c5c1.c17ccccc1.C4C3=O.O45.N36.C67 |
37009 | O=C(Nc1c(-c2cccs2)nc2ncccn12)c1ccco1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=C][N][=C][C][=C][N][Ring1][=C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | c14c6nc2ncccn12.c16cccs1.c15ccco1.O=C35.N34 |
37010 | CS(=O)(=O)N(CC(=O)NCc1ccccc1)C1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c17ccccc1.C16CCCCC1.CS5(=O)=O.C3C2=O.N356.N24.C47 |
37011 | CS(=O)(=O)N(CC(=O)NC1CCCC1)C1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1] | C15CCCCC1.C16CCCC1.CS4(=O)=O.C3C2=O.N345.N26 |
37012 | CS(=O)(=O)N(CCc1ccccc1)CC(N)=O | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][N][=O] | c15ccccc1.CS4(=O)=O.C3C(N)=O.N234.C2C5 |
37013 | CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][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][C][Ring1][S] | S6(=O)(=O)c1ccc(C)cc1.C17CCN6CC1.N345.C37=O.CC4.C5C |
37014 | CN1C(=O)Cc2cc(S(=O)(=O)N3CCOCC3)ccc21 | [C][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring1] | CN1C(=O)Cc2cc(S4(=O)=O)ccc21.N14CCOCC1 |
37015 | CS(=O)(=O)N(CC(=O)Nc1ccccc1Cl)C1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][C][C][C][C][Ring1][=Branch1] | c15ccccc1Cl.C16CCCCC1.CS4(=O)=O.C3C2=O.N346.N25 |
37016 | CS(=O)(=O)N(CC(=O)Nc1ccccc1F)C1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][C][C][C][Ring1][=Branch1] | c15ccccc1F.C16CCCCC1.CS4(=O)=O.C3C2=O.N346.N25 |
37017 | CS(=O)(=O)N(CC(=O)Nc1ccccc1)C1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c15ccccc1.C16CCCCC1.CS4(=O)=O.C3C2=O.N346.N25 |
37018 | CS(=O)(=O)N(CC(=O)NCc1ccccn1)C1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c17ccccn1.C16CCCCC1.CS5(=O)=O.C3C2=O.N356.N24.C47 |
37019 | CS(=O)(=O)N(CC(=O)NCC1CCCO1)C1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1] | C16CCCCC1.C17CCCO1.CS5(=O)=O.C3C2=O.N356.N24.C47 |
37020 | CS(=O)(=O)N(CC(=O)NCc1ccncc1)C1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c17ccncc1.C16CCCCC1.CS5(=O)=O.C3C2=O.N356.N24.C47 |
37021 | CS(=O)(=O)N(CC(=O)NCc1cccnc1)C1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c17cccnc1.C16CCCCC1.CS5(=O)=O.C3C2=O.N356.N24.C47 |
37022 | CCCn1nnnc1NCc1ccc(OCC)cc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2] | c17ccc3cc1.n16nnnc15.CCC6.N45.C47.O23.C2C |
37023 | COc1ccc(CNc2ccc(F)cc2)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][O][C] | c13ccc7cc14.c16ccc(F)cc1.CO3.C57.N56.O4C |
37024 | Clc1cc(Cl)cc(NCc2ccncc2)c1 | [Cl][C][=C][C][Branch1][C][Cl][=C][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][#C] | Clc1cc4cc(Cl)c1.c15ccncc1.N34.C35 |
37025 | COc1cccc(CO)c1OCc1ccc(F)cc1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13cccc5c14.c16ccc(F)cc1.CO3.C5O.O24.C26 |
37026 | CCOc1cc(CO)ccc1OCc1ccc(F)cc1 | [C][C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14cc6ccc15.c17ccc(F)cc1.CC2.O24.C6O.O35.C37 |
37027 | CCOc1cccc(CO)c1OCc1ccccc1 | [C][C][O][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cccc6c15.c17ccccc1.CC2.O24.C6O.O35.C37 |
37028 | CC(C)CC(=O)Nc1ccc(NCc2ccncc2)cc1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c15ccc6cc1.CC(C)CC3=O.c17ccncc1.N35.N46.C47 |
37029 | CC(=O)Nc1cccc(OCC(=O)Nc2ccccc2F)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring2][Ring1][C] | c17cccc6c1.c18ccccc1F.C5C4=O.CC3=O.N37.O56.N48 |
37030 | CC(=O)Nc1cccc(OCC(=O)Nc2ccccc2Cl)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][C] | c17cccc6c1.c18ccccc1Cl.C5C4=O.CC3=O.N37.O56.N48 |
37031 | CC(=O)Nc1cccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1] | c18ccc(C)c(Cl)c1.c17cccc6c1.C5C4=O.CC3=O.N37.O56.N48 |
37032 | CC(=O)Nc1cccc(OCC(=O)Nc2ccccc2C)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17cccc6c1.c18ccccc1C.C5C4=O.CC3=O.N37.O56.N48 |
37033 | CC(=O)Nc1cccc(OCC(=O)Nc2cccc(Cl)c2C)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c18cccc(Cl)c1C.c17cccc6c1.C5C4=O.CC3=O.N37.O56.N48 |
37034 | CC(=O)Nc1cccc(OCC(=O)Nc2c(C)cccc2C)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c18c(C)cccc1C.c17cccc6c1.C5C4=O.CC3=O.N37.O56.N48 |
37035 | c1csc(COc2ccc(CNn3cnnc3)cc2)c1 | [C][=C][S][C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][C][N][N][C][=N][N][=C][Ring1][Branch1][C][=C][Ring1][=N][=C][Ring2][Ring1][Ring2] | c15ccc7cc1.C7Nn1cnnc1.c1csc6c1.C46.O45 |
37036 | CC(=O)Nc1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring1] | c18cccc(Cl)c1C.c17ccc6cc1.C5C4=O.CC3=O.N37.O56.N48 |
37037 | CC(=O)Nc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c18ccc(F)cc1.C5C4=O.CC3=O.N37.O56.N48 |
37038 | CC(=O)Nc1cccc(OCC(=O)Nc2cc(Cl)ccc2C)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c18cc(Cl)ccc1C.c17cccc6c1.C5C4=O.CC3=O.N37.O56.N48 |
37040 | CC(=O)Nc1ccc(OCC(=O)Nc2ccccc2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c18ccccc1C.C5C4=O.CC3=O.N37.O56.N48 |
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