ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
46005 | CC(C(=O)NCc1cccnc1)n1c(C(F)(F)F)nc2ccccc21 | [C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] | n15c6nc2ccccc21.c17cccnc1.CC5C3=O.C6(F)(F)F.N34.C47 |
46006 | CC(C(=O)NCc1ccncc1)n1c(C(F)(F)F)nc2ccccc21 | [C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] | n15c6nc2ccccc21.c17ccncc1.CC5C3=O.C6(F)(F)F.N34.C47 |
46007 | Nc1nccc(-c2cc3c(ccc4ccccc43)o2)n1 | [N][C][=N][C][=C][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][Ring1][=N][=N][Ring2][Ring1][Ring1] | c15cc2c(ccc3ccccc32)o1.Nc1nccc5n1 |
46008 | COc1cccc2cc(-c3ccnc(-c4ccncc4)n3)oc12 | [C][O][C][=C][C][=C][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][N][O][C][Ring2][Ring1][Branch1][=Ring1][P] | c15cccc2cc6oc12.c16ccnc7n1.c17ccncc1.CO5 |
46010 | CS(=O)(=O)Nc1cccc(-c2cnc3ccccc3n2)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring1][S] | c16cnc2ccccc2n1.c15cccc6c1.CS4(=O)=O.N45 |
46011 | Cc1cc(C)c2c(NS(C)(=O)=O)nn(C)c2n1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=N][N][Branch1][C][C][C][Ring1][O][=N][Ring1][S] | Cc1cc(C)c2c4nn(C)c2n1.S3(C)(=O)=O.N34 |
46012 | Cc1cc(C)n(Cc2cccc(C(F)(F)F)c2)c(=O)c1C#N | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][C][#N] | Cc1cc(C)n3c(=O)c1C#N.c14cccc5c1.C5(F)(F)F.C34 |
46013 | Cc1cc(C)c2c(-n3c(C)ccc3C)nn(C)c2n1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][N][N][C][Branch1][C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Branch1][C][C][C][Ring1][=N][=N][Ring2][Ring1][C] | Cc1cc(C)c2c4nn(C)c2n1.n14c(C)ccc1C |
46014 | CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOCC2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | S5(=O)(=O)c1ccc6cc1.N14CCOCC1.CN5C.C34=O.N36 |
46015 | COc1ccc(CNC(=O)Oc2ccccc2)cc1Cl | [C][O][C][=C][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][Cl] | c15ccc8cc1Cl.c16ccccc1.C34=O.CO5.C78.N47.O36 |
46016 | Cn1c(=O)c2c3nn(CCO)cc3oc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][Ring2][C][C][O][C][=C][Ring1][Branch2][O][C][=Ring1][O][N][Branch1][C][C][C][Ring1][P][=O] | Cn1c(=O)c2c3nn4cc3oc2n(C)c1=O.C4CO |
46017 | Cc1ccc(NC(=O)Nc2onc(C)c2Cl)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][Cl][C][=C][Ring1][P] | Cc1ccc6cc1.c15onc(C)c1Cl.C34=O.N36.N45 |
46018 | OCCn1ccc(-c2ccccc2OCc2ccc(F)cc2)n1 | [O][C][C][N][C][=C][C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] | c17ccccc14.c16ccc(F)cc1.n15ccc7n1.OCC5.O34.C36 |
46019 | O=C1COc2ccc(NC(=O)Oc3ccccc3)cc2N1 | [O][=C][C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][N][Ring2][Ring1][Ring2] | O=C1COc2ccc7cc2N1.c16ccccc1.C45=O.N57.O46 |
46020 | O=S(=O)(c1ccccc1)c1cnn2c(-c3ccco3)ccnc12 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][C][=N][C][=Ring1][=C][Ring1][O] | O=S(=O)(c1ccccc1)c1cnn2c4ccnc12.c14ccco1 |
46021 | CC(C)(C)S(=O)(=O)c1cnc2c(-c3cccs3)cnn2c1N | [C][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=N][N][Ring1][#Branch2][C][=Ring1][=C][N] | CC(C)(C)S(=O)(=O)c1cnc2c4cnn2c1N.c14cccs1 |
46023 | O=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccccc12 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c15c[nH]c2ccccc12.c16ccc(Cl)cc1.O=C35.N34.C46 |
46024 | CC(NC(=O)c1c[nH]c2ccccc12)c1ccccc1 | [C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15c[nH]c2ccccc12.c16ccccc1.CC46.C35=O.N34 |
46025 | Cc1cccc(C)c1NC(=O)c1c[nH]c2ccccc12 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c15c[nH]c2ccccc12.Cc1cccc(C)c14.C35=O.N34 |
46026 | COc1ccccc1NC(=O)c1c[nH]c2ccccc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c16c[nH]c2ccccc12.c14ccccc15.C36=O.CO4.N35 |
46028 | O=C(NCc1ccccc1Cl)c1c[nH]c2ccccc12 | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c15c[nH]c2ccccc12.c16ccccc1Cl.O=C35.N34.C46 |
46030 | CC(Nc1ccccc1Oc1ccccc1)=C1CCOC1=O | [C][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][C][O][C][Ring1][Branch1][=O] | c14ccccc12.c13ccccc1.C1=5CCOC1=O.CC=5N4.O23 |
46031 | COC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1 | [C][O][C][=Branch1][C][=O][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][N][Ring1][N][C][=Ring1][S] | c15ccc2nc6cn2c1.c16ccc(F)cc1.C45=O.CO4 |
46032 | Cn1nc(C(F)(F)F)c(CN2CC(C)(C)C2=O)c1N1CCOCC1 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][#C][C][N][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1][=O][=C][Ring1][P][N][C][C][O][C][C][Ring1][=Branch1] | Cn1nc5c6c13.N14CC(C)(C)C1=O.N13CCOCC1.C5(F)(F)F.C46 |
46033 | CCOC(=O)c1cnc(-c2ccncc2)nc1C(F)(F)F | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F] | c15cnc7nc16.c17ccncc1.C6(F)(F)F.C35=O.CC4.O34 |
46035 | CC(=O)c1nc(-n2nc(C)cc2C(F)(F)F)sc1C | [C][C][=Branch1][C][=O][C][N][=C][Branch2][Ring1][Ring1][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][S][C][=Ring1][#C][C] | c13nc5sc1C.n15nc(C)cc14.C4(F)(F)F.CC3=O |
46036 | COc1ccc(C(=O)N(C)c2nc3c(s2)CCCC3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c16nc2c(s1)CCCC2.c15ccc7cc1.C47=O.N46C.CO5 |
46037 | COc1cccc(C(=O)N2CCC(=O)Nc3ccccc32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][=C][Ring2][Ring1][Ring2] | N14CCC(=O)Nc2ccccc21.c15cccc6c1.C46=O.CO5 |
46038 | O=C1CCCc2nc3c(cc21)C(O)Oc1ccccc1-3 | [O][=C][C][C][C][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Branch1][C][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] | O=C1CCCc2nc3c(cc21)C(O)Oc1ccccc1-3 |
46039 | O=C1CCN(C(=O)c2ccco2)c2ccccc2N1 | [O][=C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C] | O=C1CCN3c2ccccc2N1.c14ccco1.C34=O |
46040 | CCOC(=O)C1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 | [C][C][O][C][=Branch1][C][=O][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#C] | C16CN5c2cc(Cl)ccc2O1.S5(C)(=O)=O.C36=O.CC4.O34 |
46041 | CCOC(=O)C1CNc2cc(CC(=O)OC)ccc2O1 | [C][C][O][C][=Branch1][C][=O][C][C][N][C][=C][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][O][O][Ring1][#C] | C16CNc2cc7ccc2O1.C7C4=O.C36=O.CC5.O35.O4C |
46042 | Cc1c(S(C)(=O)=O)c(N)n(Cc2ccccc2)c1C | [C][C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Branch1][C][N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][P][C] | Cc1c(S(C)(=O)=O)c(N)n3c1C.c14ccccc1.C34 |
46043 | COc1ccc(CNC(=O)Cn2cncn2)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][S][O][C] | c14ccc8cc15.n17cncn1.C3(=O)C7.CO4.C68.N36.O5C |
46044 | CC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)nn1 | [C][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=N][Ring1][=N] | c14ccc(Cl)c(Cl)c1.c13cn4nn1.CC3=O |
46045 | OCc1nnn(-c2ccc(Cl)c(Cl)c2)c1CO | [O][C][C][N][=N][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][=N][C][O] | c15ccc(Cl)c(Cl)c1.c13nnn5c14.OC3.C4O |
46046 | CCOC(=O)c1sc2nc(-c3ccc(OC)cc3)cn2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][N][Ring1][=N][C][=Ring1][S][C] | c17sc2nc8cn2c1C.c18ccc6cc1.C47=O.CC5.O45.O6C |
46047 | Cc1c(C(=O)C2CC2)cnc2cc3c(cc12)OCO3 | [C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][#C][Ring1][=Branch1][O][C][O][Ring1][#Branch1] | Cc1c5cnc2cc3c(cc12)OCO3.C45=O.C14CC1 |
46048 | Cc1cc(=O)n2nc(-c3ccc(C(F)(F)F)cc3)sc2n1 | [C][C][=C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][S][C][Ring1][#C][=N][Ring2][Ring1][Ring2] | Cc1cc(=O)n2nc5sc2n1.c15ccc4cc1.C4(F)(F)F |
46049 | COc1ccccc1-c1nn2c(=O)cc(C)nc2s1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][S][Ring1][O] | c14nn2c(=O)cc(C)nc2s1.c13ccccc14.CO3 |
46050 | COC(=O)c1sccc1NC(=O)c1c[nH]nc1C | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C] | c15sccc14.c16c[nH]nc1C.C25=O.C36=O.CO2.N34 |
46051 | CS(=O)(=O)c1cc(Br)cc(Br)c1O | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][O] | CS(=O)(=O)c1cc(Br)cc(Br)c1O |
46052 | COC(=O)c1sccc1NC(=O)c1cnc(N)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C] | c16cnc(N)nc1C.c15sccc14.C25=O.C36=O.CO2.N34 |
46054 | O=C1CCC=CN1c1c[nH]nc1-c1ccc(Cl)cc1 | [O][=C][C][C][C][=C][N][Ring1][=Branch1][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=C1CCC=CN12.c13ccc(Cl)cc1.c12c[nH]nc13 |
46055 | Nc1ncc(-n2ccccc2=O)c(-c2ccc(Cl)cc2)n1 | [N][C][=N][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] | Nc1ncc3c4n1.n13ccccc1=O.c14ccc(Cl)cc1 |
46056 | Cc1snc(S(=O)(=O)Cc2cccc(Cl)c2)c1C#N | [C][C][S][N][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][S][C][#N] | Cc1snc(S(=O)(=O)C3)c1C#N.c13cccc(Cl)c1 |
46057 | Cc1snc(S(=O)(=O)Cc2ccccc2Cl)c1C#N | [C][C][S][N][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][S][C][#N] | Cc1snc(S(=O)(=O)C3)c1C#N.c13ccccc1Cl |
46058 | Cc1snc(S(=O)(=O)Cc2c(Cl)cccc2Cl)c1C#N | [C][C][S][N][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][P][C][#N] | Cc1snc(S(=O)(=O)C3)c1C#N.c13c(Cl)cccc1Cl |
46059 | Cc1snc(SCc2ccc(F)cc2)c1C#N | [C][C][S][N][=C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][=C][C][#N] | Cc1snc5c1C#N.c14ccc(F)cc1.S35.C34 |
46060 | Cc1snc(S(=O)(=O)Cc2ccc(F)cc2)c1C#N | [C][C][S][N][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][S][C][#N] | Cc1snc(S(=O)(=O)C3)c1C#N.c13ccc(F)cc1 |
46061 | CN(C)C(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c14nn5c(=O)c2ccccc12.c15ccc(F)cc1.CN3C.C34=O |
46062 | CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12 | [C][N][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c14nn5c(=O)c2ccccc12.c15ccc(F)cc1.C34=O.CN3 |
46063 | COC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c14nn5c(=O)c2ccccc12.c15ccc(Cl)cc1.C34=O.CO3 |
46064 | COC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c14nn5c(=O)c2ccccc12.c15ccc(F)cc1.C34=O.CO3 |
46065 | COc1ccc(-n2cc3ccsc3c2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][S][C][Ring1][Branch1][=C][Ring1][Branch2][C][Branch1][Ring1][O][C][=C][Ring1][S] | c14ccc6c5c1.n16cc2ccsc2c1.CO4.O5C |
46067 | CNC(=O)c1cc(Cl)cn(Cc2c(Cl)cccc2Cl)c1=O | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][N][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Ring1][S][=O] | c14cc(Cl)cn5c1=O.c16c(Cl)cccc1Cl.C34=O.CN3.C56 |
46068 | Cc1nnsc1S(=O)(=O)Cc1ccccc1C(F)(F)F | [C][C][N][=N][S][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | Cc1nnsc1S(=O)(=O)C2.c12ccccc13.C3(F)(F)F |
46069 | COC(=O)c1cc(Cl)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Ring2][Ring1][Ring1] | c14cc(Cl)c(=O)n5c1.c16cccc7c1.C7(F)(F)F.C34=O.CO3.C56 |
46070 | COC(=O)c1cc(Cl)cn(Cc2cccc(C(F)(F)F)c2)c1=O | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Ring2][Ring1][C][=O] | c14cc(Cl)cn5c1=O.c16cccc7c1.C7(F)(F)F.C34=O.CO3.C56 |
46071 | Cc1ccccc1CS(=O)(=O)c1snnc1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][S][N][=N][C][=Ring1][Branch1][C] | C2S(=O)(=O)c1snnc1C.Cc1ccccc12 |
46072 | COC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#C][=O] | c14cc(Cl)cn5c1=O.c16ccc(Cl)cc1.C34=O.CO3.C56 |
46073 | CNC(=O)c1cc(Cl)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1 | [C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Ring2][Ring1][Ring1] | c14cc(Cl)c(=O)n5c1.c16cccc7c1.C7(F)(F)F.C34=O.CN3.C56 |
46076 | CNC(=O)c1cc(Cl)c(=O)n(Cc2ccccc2)c1 | [C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][#C] | c14cc(Cl)c(=O)n5c1.c16ccccc1.C34=O.CN3.C56 |
46077 | COC(=O)c1ccc(=O)n(CC(=O)c2ccc(Cl)cc2)c1 | [C][O][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][P] | c14ccc(=O)n6c1.c15ccc(Cl)cc1.C6C5=O.C34=O.CO3 |
46078 | COC(=O)c1cccn(CC(=O)c2ccc(Cl)cc2)c1=O | [C][O][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][S][=O] | c14cccn6c1=O.c15ccc(Cl)cc1.C6C5=O.C34=O.CO3 |
46079 | COC(=O)c1cccn(CC(=O)c2ccc(Cl)cc2Cl)c1=O | [C][O][C][=Branch1][C][=O][C][=C][C][=C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Ring1][P][=O] | c14cccn6c1=O.c15ccc(Cl)cc1Cl.C6C5=O.C34=O.CO3 |
46081 | CNC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#C][=O] | c14cc(Cl)cn5c1=O.c16ccc(Cl)cc1.C34=O.CN3.C56 |
46082 | CNC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 | [C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][S] | c14cc(Cl)c(=O)n5c1.c16ccc(Cl)cc1.C34=O.CN3.C56 |
46083 | COC(OC)(OC)c1cc(Cl)c(=O)n(Cc2ccccc2)c1 | [C][O][C][Branch1][Ring1][O][C][Branch1][Ring1][O][C][C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][#C] | c17cc(Cl)c(=O)n6c1.c18ccccc1.C3457.CO3.O4C.O5C.C68 |
46084 | COC(=O)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C] | n15cc7ccc1=O.c14ccc6cc1.C7(F)(F)F.C34=O.CO3.C56 |
46086 | CNC(=O)Nc1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 | [C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C] | n16cc8ccc1=O.c15ccc7cc1.C8(F)(F)F.C34=O.CN3.N45.C67 |
46087 | Fc1ccccc1-c1nnc2c3ccccc3ncn12 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][=N][Ring1][#Branch2] | c14nnc2c3ccccc3ncn12.Fc1ccccc14 |
46088 | COC(=O)CSc1nnc(C(C)(C)n2cncn2)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#C][C][Branch1][C][C][Branch1][C][C][N][C][=N][C][=N][Ring1][Branch1][N][Ring1][=N][C] | c17nnc6n1C.n15cncn1.C3(=O)C4.C56(C)C.CO3.S47 |
46089 | CCOC(=O)Cc1csc(Cn2cncn2)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][=N][Ring1][O] | c16csc7n1.n15cncn1.C3(=O)C6.CC4.O34.C57 |
46090 | C=CCn1cccc(C(=O)Nc2ccc(OCC)cc2)c1=O | [C][=C][C][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][C][Ring2][Ring1][C][=O] | n18cccc7c1=O.c16ccc5cc1.C=CC8.C37=O.N36.O45.C4C |
46091 | C=CCn1cccc(C(=O)Nc2ccc(F)cc2)c1=O | [C][=C][C][N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][S][=O] | n16cccc5c1=O.c14ccc(F)cc1.C=CC6.C35=O.N34 |
46092 | C=CCn1cccc(C(=O)Nc2ccc(C)cc2)c1=O | [C][=C][C][N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][S][=O] | n16cccc5c1=O.c14ccc(C)cc1.C=CC6.C35=O.N34 |
46093 | C=CCn1cccc(C(=O)Nc2ccc(Cl)cc2)c1=O | [C][=C][C][N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][S][=O] | n16cccc5c1=O.c14ccc(Cl)cc1.C=CC6.C35=O.N34 |
46095 | C=CCn1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1=O | [C][=C][C][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][P][=O] | n16cccc5c1=O.c14ccc(C)c(Cl)c1.C=CC6.C35=O.N34 |
46096 | C=CCn1cccc(C(=O)Nc2ccc(C)c(C)c2)c1=O | [C][=C][C][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][Ring1][P][=O] | n16cccc5c1=O.c14ccc(C)c(C)c1.C=CC6.C35=O.N34 |
46097 | C=CCn1cccc(C(=O)Nc2ccc(SC)cc2)c1=O | [C][=C][C][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][Ring1][P][=O] | n16cccc5c1=O.c14ccc7cc1.C=CC6.C35=O.N34.S7C |
46098 | C=CCn1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1=O | [C][=C][C][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][P][=O] | n16cccc5c1=O.c14ccc(Cl)c(Cl)c1.C=CC6.C35=O.N34 |
46099 | CCCn1cccc(C(=O)Nc2ccc(OC)cc2)c1=O | [C][C][C][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][P][=O] | n17cccc6c1=O.c15ccc4cc1.CCC7.C36=O.N35.O4C |
46100 | COc1ccc(NC(=O)c2cccn(CC3CC3)c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Ring2] | c17cccn8c1=O.c15ccc6cc1.C47=O.C19CC1.CO5.N46.C89 |
46101 | COc1ccc(NC(=O)c2cccn(CC=C(C)C)c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][Ring1][O][=O][C][=C][Ring2][Ring1][Branch1] | c16cccn8c1=O.c14ccc5cc1.C36=O.C8C=7.C=7(C)C.CO4.N35 |
46102 | C#CCn1cccc(C(=O)Nc2ccc(OC)cc2)c1=O | [C][#C][C][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][P][=O] | n17cccc6c1=O.c15ccc4cc1.C#CC7.C36=O.N35.O4C |
46103 | C#CCn1cc(Cl)cc(C(=O)Nc2ccccc2)c1=O | [C][#C][C][N][C][=C][Branch1][C][Cl][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | n16cc(Cl)cc5c1=O.c14ccccc1.C#CC6.C35=O.N34 |
46104 | Cn1cc(Cl)cc(C(=O)Nc2ccccc2)c1=O | [C][N][C][=C][Branch1][C][Cl][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | Cn1cc(Cl)cc5c1=O.c14ccccc1.C35=O.N34 |
46105 | C=CCn1cc(Cl)cc(C(=O)Nc2ccccc2)c1=O | [C][=C][C][N][C][=C][Branch1][C][Cl][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | n16cc(Cl)cc5c1=O.c14ccccc1.C=CC6.C35=O.N34 |
46106 | COc1ccc(C2OCC3(CO2)CSc2ccccc2C3=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][O][C][C][Branch1][Branch1][C][O][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][=Branch1] | C15OCC2(CO1)CSc1ccccc1C2=O.c14ccc5cc1.CO4 |
46107 | Cc1cc(C)n(CCOc2ncc(C(F)(F)F)cc2Cl)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][C][O][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][N][=Ring2][Ring1][Ring2] | c14ncc6cc1Cl.Cc1cc(C)n5n1.C6(F)(F)F.C5C3.O34 |
46110 | N#CC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1=O | [N][#C][C][C][C][N][Branch2][Ring1][Ring2][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][C][Ring1][S][=O] | N#CC1CCN4C1=O.c14ncc3cc1Cl.C3(F)(F)F |
46111 | CNC(=O)c1nn(-c2cccc(Cl)c2)c(=O)cc1OC | [C][N][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][Ring1][=C][O][C] | c15nn6c(=O)cc14.c16cccc(Cl)c1.C35=O.CN3.O4C |
46112 | O=c1c(-c2ccccc2)nc(-c2cccc(Cl)c2)cn1O | [O][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][N][Ring2][Ring1][Ring1][O] | O=c1c3nc4cn1O.c14cccc(Cl)c1.c13ccccc1 |
46113 | CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1N(C)C | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][=N][N][Branch1][C][C][C] | c16nn7c(=O)cc15.c17ccccc1.C36=O.N5(C)C.CC4.O34 |
46114 | CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cn1 | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=N][Ring1][P] | CC(C)S(=O)(=O)c1ccc5cn1.c14ccc(F)cc1F.C35=O.N34 |
46115 | CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1SC(C)C | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][=N][S][C][Branch1][C][C][C] | c16nn7c(=O)cc18.c17ccccc1.C36=O.C5(C)C.CC4.O34.S58 |
46116 | CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1SC(C)CC | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][=N][S][C][Branch1][C][C][C][C] | c16nn7c(=O)cc18.c17ccccc1.C5(C)CC.C36=O.CC4.O34.S58 |
46118 | CCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cn1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][Ring1][S] | CCCS(=O)(=O)c1ccc5cn1.c14ccc(Cl)cc1.C35=O.N34 |
46120 | CC(=O)Nc1ccc(Sc2ccc(F)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C] | c14ccc5cc1.c16ccc(F)cc1.CC3=O.N34.S56 |
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