ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
4002 | O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ncccn1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1] | c16nc2cc(Cl)ccc2s1.c15ncccn1.O=C3C4.S46.N35 |
4003 | CCC(Sc1nccn1C)C(=O)Nc1nc2ccccc2s1 | [C][C][C][Branch1][#Branch2][S][C][=N][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c15nc2ccccc2s1.CCC4C3=O.c16nccn1C.S46.N35 |
4004 | CCC(Sc1nccn1C)C(=O)Nc1cc(C)on1 | [C][C][C][Branch1][#Branch2][S][C][=N][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | CCC3C2=O.c15nccn1C.c14cc(C)on1.S35.N24 |
4005 | COc1cc(-c2nc3cc(C)ccn3c2N)ccc1O | [C][O][C][=C][C][Branch2][Ring1][C][C][N][=C][C][=C][Branch1][C][C][C][=C][N][Ring1][#Branch1][C][=Ring1][#Branch2][N][=C][C][=C][Ring1][P][O] | c15nc2cc(C)ccn2c1N.c14cc5ccc1O.CO4 |
4009 | COC(=O)C1OC2(OC1C(=O)OC)c1ccccc1-c1ccccc12 | [C][O][C][=Branch1][C][=O][C][O][C][Branch1][O][O][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | C15OC2(OC16)c1ccccc1-c1ccccc12.C35=O.C46=O.CO3.O4C |
4010 | COC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 | [C][O][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][=C][C][=C][Ring1][=Branch1] | c17nnc8n15.c18ccncc1.c16ccccc1.C3(=O)C4.CO3.S47.C56 |
4012 | CC1CCc2c(sc(NC(=O)CSc3ncccn3)c2C#N)C1 | [C][C][C][C][C][=C][Branch2][Ring1][=Branch2][S][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][S][C][#N][C][Ring2][Ring1][=Branch1] | CC1CCc2c(sc6c2C#N)C1.c17ncccn1.C4(=O)C5.N46.S57 |
4014 | CC(C)C(=O)Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | N6C1=NS(=O)(=O)c2ccccc21.c15ccc6cc1.CC(C)C4=O.O45 |
4015 | COc1ccc2c(CCNC(=O)c3ccco3)c[nH]c2c1 | [C][O][C][=C][C][=C][C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][NH1][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c15ccc2c8c[nH]c2c1.c17ccco1.C8C6.C47=O.CO5.N46 |
4016 | COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(N)cc3)c2c1 | [C][O][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][=Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c14ccc2[nH]cc7c2c1.S6(=O)(=O)c1ccc(N)cc1.C7C5.CO4.N56 |
4017 | COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c18c[nH]c2ccccc12.c15ccc7cc1.C47=O.C6C8.CO5.N46 |
4018 | COc1ccc2[nH]cc(CCNC(=O)C3CCCNC3=O)c2c1 | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][P][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][C][Ring1][=Branch1][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2[nH]cc8c2c1.C17CCCNC1=O.C8C6.C47=O.CO5.N46 |
4019 | COc1ccc(C(=O)Nc2c(C)cc(O)cc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][C][=C][Ring2][Ring1][C] | c15c(C)cc(O)cc1C.c14ccc6cc1.C36=O.CO4.N35 |
4020 | CC(C)Oc1cccc(NC(=O)c2cnccc2C(F)(F)F)c1 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring1] | c15cccc6c1.c17cnccc18.C8(F)(F)F.CC4C.C37=O.O45.N36 |
4021 | O=C(Nc1ccc(Cl)cc1)c1cnccc1C(F)(F)F | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c13ccc(Cl)cc1.c14cnccc15.C5(F)(F)F.O=C24.N23 |
4022 | CN(C(=O)c1cnccc1C(F)(F)F)c1ccc(Cl)cc1 | [C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14cnccc15.c13ccc(Cl)cc1.C5(F)(F)F.CN23.C24=O |
4023 | CC(C)(C)NC(=O)Nc1cnccc1C(F)(F)F | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c15cnccc16.CC4(C)C.C6(F)(F)F.C23=O.N24.N35 |
4024 | Cc1c(NC(=O)C2CCCNC2=O)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][N][C][Ring1][=Branch1][=O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch1][C] | Cc1c4c(=O)n6n1C.C15CCCNC1=O.c16ccccc1.C35=O.N34 |
4025 | O=C(NCc1ccc(F)cc1F)Nc1cnccc1C(F)(F)F | [O][=C][Branch1][#C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c16ccc(F)cc1F.c15cnccc17.C7(F)(F)F.O=C23.N24.C46.N35 |
4026 | COc1cccc(NC(=O)c2cnccc2C(F)(F)F)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring1] | c14cccc5c1.c16cnccc17.C7(F)(F)F.C36=O.CO4.N35 |
4027 | CCOc1cccc(NC(=O)c2cnccc2C(F)(F)F)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring1] | c15cccc6c1.c17cnccc18.C8(F)(F)F.C37=O.CC4.O45.N36 |
4028 | O=C(Nc1nc2ccccc2s1)c1cnccc1C(F)(F)F | [O][=C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c14nc2ccccc2s1.c15cnccc16.C6(F)(F)F.O=C35.N34 |
4029 | O=C(NCc1ccccc1Cl)c1cnccc1C(F)(F)F | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c15ccccc1Cl.c14cnccc16.C6(F)(F)F.O=C24.N23.C35 |
4030 | O=C(NCc1ccc(Cl)cc1)c1cnccc1C(F)(F)F | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c15ccc(Cl)cc1.c14cnccc16.C6(F)(F)F.O=C24.N23.C35 |
4031 | CN(Cc1ccccc1Cl)C(=O)c1cnccc1C(F)(F)F | [C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c15ccccc1Cl.c14cnccc16.C6(F)(F)F.CN23.C24=O.C35 |
4032 | C#CC(CC)(CC)NC(=O)Nc1cnccc1C(F)(F)F | [C][#C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | C#CC4(CC)CC.c15cnccc16.C6(F)(F)F.C23=O.N24.N35 |
4033 | C#CC1CCCCC1NC(=O)Nc1cnccc1C(F)(F)F | [C][#C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | C#CC1CCCCC15.c14cnccc16.C6(F)(F)F.C23=O.N25.N34 |
4034 | COC(=O)c1cc(O)c(OCc2ccccc2)c(O)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][S] | c16cc(O)c5c(O)c1.c17ccccc1.C36=O.CO3.O45.C47 |
4035 | CC1CCc2c(sc(NC(=O)CSc3nncn3C)c2C#N)C1 | [C][C][C][C][C][=C][Branch2][Ring1][=Branch2][S][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][Ring1][S][C][#N][C][Ring2][Ring1][=Branch1] | CC1CCc2c(sc6c2C#N)C1.c17nncn1C.C4(=O)C5.N46.S57 |
4036 | CSc1nc(-c2ccc(C)cc2)nc(N)c1C#N | [C][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][Branch1][C][N][=C][Ring1][=C][C][#N] | c13nc4nc(N)c1C#N.c14ccc(C)cc1.CS3 |
4037 | CSc1nc(-c2ccc(Cl)cc2)nc(N)c1C#N | [C][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Branch1][C][N][=C][Ring1][=C][C][#N] | c13nc4nc(N)c1C#N.c14ccc(Cl)cc1.CS3 |
4038 | CSc1nc(-c2ccc(C(F)(F)F)cc2)nc(N)c1C#N | [C][S][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][C][Branch1][C][N][=C][Ring1][P][C][#N] | c14nc5nc(N)c1C#N.c15ccc3cc1.C3(F)(F)F.CS4 |
4039 | COC(=O)CNC(=O)c1ccccc1Br | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c15ccccc1Br.C2(=O)C4.C35=O.CO2.N34 |
4040 | FC(F)(F)c1ccncc1-c1nnc(C2CCCCC2)o1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][O] | c13ccncc15.c15nnc4o1.C14CCCCC1.FC3(F)F |
4042 | CN(C(=O)Nc1cnccc1C(F)(F)F)C1CCCCC1 | [C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][C][C][C][C][Ring1][=Branch1] | c14cnccc16.C15CCCCC1.C6(F)(F)F.CN25.C23=O.N34 |
4043 | FC(F)(F)c1ccncc1-c1noc(-c2ccccc2)n1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] | c13ccncc14.c14noc5n1.c15ccccc1.FC3(F)F |
4044 | COc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][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][Ring2][Ring1][Branch2] | c17ccc2oc9nc2c1.c16ccc8cc1.c19cccnc1.C58=O.CO6.N57 |
4045 | COc1ccc(C(c2c(O)n[nH]c2C)C(C#N)C#N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][N][C][C][Branch1][C][O][=N][NH1][C][=Ring1][=Branch1][C][C][Branch1][Ring1][C][#N][C][#N][C][=C][Ring2][Ring1][Ring1] | c13ccc4cc1.C45C(C#N)C#N.c15c(O)n[nH]c1C.CO3 |
4046 | Cc1nc(-c2nnc(-c3ccccc3)o2)c(C(F)(F)F)o1 | [C][C][=N][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][Ring2] | Cc1nc5c4o1.c15nnc6o1.c16ccccc1.C4(F)(F)F |
4047 | CCOc1cccc(NC(=O)c2nc(C)oc2C(F)(F)F)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring1] | c15cccc6c1.c17nc(C)oc18.C8(F)(F)F.C37=O.CC4.O45.N36 |
4048 | Cc1nc(C(=O)NCC(=O)c2ccccc2)c(C(F)(F)F)o1 | [C][C][=N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][Branch1] | Cc1nc5c7o1.c16ccccc1.C4C6=O.C7(F)(F)F.C35=O.N34 |
4049 | COc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] | c17ccc2oc9nc2c1.c16ccc8cc1.c19ccncc1.C58=O.CO6.N57 |
4050 | O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1F | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccc2oc7nc2c1.c16ccccc1F.c17ccncc1.O=C46.N45 |
4051 | O=C(Nc1ccc(Cl)cc1)OCc1noc(-c2cccs2)n1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][C][=N][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2] | c16ccc(Cl)cc1.c17noc8n1.c18cccs1.O=C34.N46.O35.C57 |
4052 | O=C(CNC(=O)c1cnccc1C(F)(F)F)c1cccc(Cl)c1 | [O][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c15cnccc16.c14cccc(Cl)c1.O=C4C3.C6(F)(F)F.C25=O.N23 |
4053 | Cc1nc(-c2noc(-c3ccccc3)n2)c(C(F)(F)F)o1 | [C][C][=N][C][Branch2][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][Ring2] | Cc1nc5c4o1.c15noc6n1.c16ccccc1.C4(F)(F)F |
4054 | Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(Cl)cc1 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cn1nc5cc14.c13ccc(Cl)cc1.C5(F)(F)F.C24=O.N23 |
4055 | COc1cc(C(F)(F)F)c(C(=O)NCc2ccccc2Cl)cn1 | [C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][Ring2][Ring1][Branch1] | c14cc7c6cn1.c18ccccc1Cl.C7(F)(F)F.C36=O.CO4.N35.C58 |
4056 | COc1cc(C(F)(F)F)c(C(=O)NCc2cccc(Cl)c2)cn1 | [C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][Branch1] | c14cc7c6cn1.c18cccc(Cl)c1.C7(F)(F)F.C36=O.CO4.N35.C58 |
4058 | COc1cc(C(F)(F)F)c(C(=O)Nc2c(C)cccc2C)cn1 | [C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=N][Ring2][Ring1][Branch1] | c14cc7c6cn1.c15c(C)cccc1C.C7(F)(F)F.C36=O.CO4.N35 |
4059 | CSc1cc(C(F)(F)F)c(C(=O)Nc2c(C)cccc2C)cn1 | [C][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=N][Ring2][Ring1][Branch1] | c17cc6c5cn1.c14c(C)cccc1C.C6(F)(F)F.C35=O.CS7.N34 |
4061 | Cc1cccc(N(C)C(=O)c2cnccc2C(F)(F)F)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring2][C] | Cc1cccc4c1C.c15cnccc16.C6(F)(F)F.N34C.C35=O |
4062 | FC(F)(F)c1ccncc1-c1nnnn1-c1ccc(Cl)cc1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c12ccncc14.c13ccc(Cl)cc1.c14nnnn13.FC2(F)F |
4063 | CCc1ccccc1NC(=O)c1cnccc1C(F)(F)F | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c15ccccc13.c14cnccc16.C6(F)(F)F.C24=O.CC5.N23 |
4064 | O=C(Nc1ccc(F)cc1)c1cnccc1C(F)(F)F | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c13ccc(F)cc1.c14cnccc15.C5(F)(F)F.O=C24.N23 |
4065 | FC(F)(F)c1ccncc1-c1nnnn1-c1ccccc1Cl | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c12ccncc14.c13ccccc1Cl.c14nnnn13.FC2(F)F |
4066 | Fc1ccccc1-n1nnnc1-c1cnccc1C(F)(F)F | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | Fc1ccccc13.c14cnccc12.n13nnnc14.C2(F)(F)F |
4067 | Cc1ccc(NC(=O)c2cnccc2C(F)(F)F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring1] | Cc1ccc4cc1.c15cnccc16.C6(F)(F)F.C35=O.N34 |
4068 | Cc1cccc(-n2nnnc2-c2cnccc2C(F)(F)F)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][N][=N][N][=C][Ring1][Branch1][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Branch1][C] | Cc1cccc4c1C.c15cnccc13.n14nnnc15.C3(F)(F)F |
4069 | COc1nccc(C(F)(F)F)c1C(=O)Nc1c(C)cccc1C | [C][O][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C] | c13nccc6c15.c14c(C)cccc1C.C6(F)(F)F.C25=O.CO3.N24 |
4070 | CN(C(=O)c1cn(C)c(=O)cc1C(F)(F)F)c1ccc(Cl)cc1 | [C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][Ring1][Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14cn(C)c(=O)cc15.c13ccc(Cl)cc1.C5(F)(F)F.CN23.C24=O |
4071 | O=c1oc(-c2c(F)cccc2F)nn1-c1ccc(C(F)(F)F)cn1 | [O][=C][O][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][N][Ring1][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2] | c15c(F)cccc1F.O=c1oc5nn14.c14ccc3cn1.C3(F)(F)F |
4072 | CC(C)c1nn(-c2ccc(C(F)(F)F)cn2)c(=O)o1 | [C][C][Branch1][C][C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring1][S] | c13nn5c(=O)o1.c15ccc4cn1.C4(F)(F)F.CC3C |
4073 | COc1ccccc1-c1nn(-c2ccc(C(F)(F)F)cn2)c(=O)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring1][S] | c13ccccc16.c16nn5c(=O)o1.c15ccc4cn1.C4(F)(F)F.CO3 |
4075 | COc1ccccc1-c1nn(-c2ncccc2C(F)(F)F)c(=O)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Branch1][P][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O][Ring1][S] | c13ccccc16.c16nn5c(=O)o1.c15ncccc14.C4(F)(F)F.CO3 |
4076 | COc1cccc(-c2nn(-c3ncccc3C(F)(F)F)c(=O)o2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][=N][N][Branch1][P][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O][Ring1][S][=C][Ring2][Ring1][=Branch1] | c14cccc7c1.c17nn6c(=O)o1.c16ncccc15.C5(F)(F)F.CO4 |
4078 | O=c1oc(-c2c(F)cccc2F)nn1-c1cc(C(F)(F)F)ccn1 | [O][=C][O][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][N][Ring1][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#Branch2] | c15c(F)cccc1F.O=c1oc5nn14.c14cc3ccn1.C3(F)(F)F |
4079 | COc1ccccc1-c1nn(-c2cc(C(F)(F)F)ccn2)c(=O)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring1][S] | c13ccccc16.c16nn5c(=O)o1.c15cc4ccn1.C4(F)(F)F.CO3 |
4080 | COc1cccc(-c2nn(-c3cc(C(F)(F)F)ccn3)c(=O)o2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][S][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring1][S][=C][Ring2][Ring1][=Branch1] | c14cccc7c1.c17nn6c(=O)o1.c16cc5ccn1.C5(F)(F)F.CO4 |
4081 | O=C(NCc1ccc(Cl)cc1)c1cccnc1OCC(F)(F)F | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][Branch1][C][F][Branch1][C][F][F] | c17ccc(Cl)cc1.c16cccnc14.C3C(F)(F)F.O=C26.N25.C57.O34 |
4082 | CCOc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)o1 | [C][C][O][C][=N][N][Branch2][Ring1][Ring2][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][C][=Branch1][C][=O][O][Ring1][P] | c16ncc5cc1Cl.c14nn6c(=O)o1.C5(F)(F)F.CC3.O34 |
4083 | Cc1cc(C)n(-c2nc(C)nc3sc4c(c23)CCCC4)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][=N][C][Branch1][C][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][N][=Ring2][Ring1][Ring2] | c15nc(C)nc2sc3c(c12)CCCC3.Cc1cc(C)n5n1 |
4084 | CC(C)c1nn(-c2cc(C(F)(F)F)ccn2)c(=O)o1 | [C][C][Branch1][C][C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring1][S] | c13nn5c(=O)o1.c15cc4ccn1.C4(F)(F)F.CC3C |
4085 | CCc1nc2sc3c(c2c2nnnn12)CCCC3 | [C][C][C][=N][C][S][C][=C][Branch1][=N][C][=Ring1][Branch1][C][=N][N][=N][N][Ring1][N][Ring1][Branch1][C][C][C][C][Ring1][N] | c14nc2sc3c(c2c2nnnn12)CCCC3.CC4 |
4086 | O=S(=O)(c1ccc(Cl)cc1)c1ccccn1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] | O=S(=O)(c1ccc(Cl)cc1)c1ccccn1 |
4087 | COc1nccc(C(F)(F)F)c1C(=O)Nc1ccc(Cl)cc1 | [C][O][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13nccc6c15.c14ccc(Cl)cc1.C6(F)(F)F.C25=O.CO3.N24 |
4088 | COc1ncc(NC(=O)C2CC2)cc1C(F)(F)F | [C][O][C][=N][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F] | c14ncc5cc17.C7(F)(F)F.C36=O.C16CC1.CO4.N35 |
4089 | O=c1onc(-c2ccccc2)n1-c1cccc(Cl)c1 | [O][=C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | O=c1onc4n13.c13cccc(Cl)c1.c14ccccc1 |
4090 | O=c1onc(-c2cccc(Cl)c2)n1-c1ccccc1 | [O][=C][O][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1onc4n13.c14cccc(Cl)c1.c13ccccc1 |
4091 | O=c1onc(-c2cccc(C(F)(F)F)c2)n1-c1ccccc1 | [O][=C][O][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1onc5n14.c15cccc3c1.c14ccccc1.C3(F)(F)F |
4092 | O=c1onc(-c2ccc(Cl)cc2Cl)n1-c1cccnc1 | [O][=C][O][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccc(Cl)cc1Cl.O=c1onc4n13.c13cccnc1 |
4094 | O=c1onc(-c2cccc(Cl)c2Cl)n1-c1cccnc1 | [O][=C][O][N][=C][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][N][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14cccc(Cl)c1Cl.O=c1onc4n13.c13cccnc1 |
4095 | Nc1cc(C(=O)N2CCOCC2)ccc1Nc1ccccc1 | [N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1cc6ccc14.N13CCOCC1.c15ccccc1.C36=O.N45 |
4096 | Cc1ccccc1-n1c(-c2cccnc2)noc1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][C][Ring1][O][=O] | Cc1ccccc13.n13c4noc1=O.c14cccnc1 |
4097 | O=c1onc(-c2cccnc2)n1-c1ccccc1F | [O][=C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=c1onc4n13.c13ccccc1F.c14cccnc1 |
4098 | O=c1onc(-c2cccnc2)n1-c1ccccc1Cl | [O][=C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | O=c1onc4n13.c13ccccc1Cl.c14cccnc1 |
4099 | c1nc(N2CCCC2)c2c3c(sc2n1)CCCC3 | [C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][=C][C][C][C][C][Ring1][=Branch2] | c1nc4c2c3c(sc2n1)CCCC3.N14CCCC1 |
4100 | O=c1onc(-c2cccnc2)n1-c1ccccc1C(F)(F)F | [O][=C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | O=c1onc5n14.c14ccccc13.c15cccnc1.C3(F)(F)F |
4101 | O=c1onc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1 | [O][=C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | O=c1onc5n14.c14cccc3c1.c15cccnc1.C3(F)(F)F |
4102 | COc1ccc(-c2noc(=O)n2-c2cccnc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c13ccc5cc1.c15noc(=O)n14.c14cccnc1.CO3 |
4103 | COc1ccccc1-c1nn(-c2cccc(C(F)(F)F)n2)c(=O)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring1][S] | c13ccccc16.c16nn5c(=O)o1.c15cccc4n1.C4(F)(F)F.CO3 |
4104 | CCc1nc2sc3c(c2c2nnc(C)n12)CCCC3 | [C][C][C][=N][C][S][C][=C][Branch1][S][C][=Ring1][Branch1][C][=N][N][=C][Branch1][C][C][N][Ring1][=N][Ring1][=Branch1][C][C][C][C][Ring1][=N] | c14nc2sc3c(c2c2nnc(C)n12)CCCC3.CC4 |
4105 | CCc1nc2sc3c(c2c2nncn12)CCCC3 | [C][C][C][=N][C][S][C][=C][Branch1][=N][C][=Ring1][Branch1][C][=N][N][=C][N][Ring1][N][Ring1][Branch1][C][C][C][C][Ring1][N] | c14nc2sc3c(c2c2nncn12)CCCC3.CC4 |
4106 | O=c1onc(-c2cnccc2C(F)(F)F)n1-c1ccccc1Cl | [O][=C][O][N][=C][Branch1][P][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | O=c1onc5n14.c15cnccc13.c14ccccc1Cl.C3(F)(F)F |
4107 | N#Cc1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 | [N][#C][C][=C][Branch1][C][N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Ring2][Ring1][#Branch2] | N#Cc1c(N)n4c2nc3ccccc3nc12.c14ccccc1 |
4108 | Cc1ccc(-n2c(-c3cnccc3C(F)(F)F)noc2=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][Branch1][P][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][O][C][Ring1][#C][=O][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc5c(C)c1.n15c6noc1=O.c16cnccc14.C4(F)(F)F |
4109 | N#Cc1c(N)n(-c2ccc(O)cc2)c2nc3ccccc3nc12 | [N][#C][C][=C][Branch1][C][N][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch1][Ring1][#Branch2] | N#Cc1c(N)n4c2nc3ccccc3nc12.c14ccc(O)cc1 |
4110 | CC(Sc1nnnn1-c1ccccc1)C(=O)Nc1nccs1 | [C][C][Branch1][P][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | c16nnnn15.c15ccccc1.CC3C2=O.c14nccs1.S36.N24 |
4111 | N#Cc1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 | [N][#C][C][=C][Branch1][C][N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch1][Ring1][#Branch2] | N#Cc1c(N)n4c2nc3ccccc3nc12.c15ccccc1.C45 |
4113 | COC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c19ccc8cc1.c16ccc7cc1.C4(=O)C5.C39=O.CO3.N48.O56.O7C |
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