ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
10170 | Cc1c(C(N)=O)sc2ncn(Cc3ccccc3)c(=O)c12 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][=Ring1][=C] | Cc1c4sc2ncn5c(=O)c12.c16ccccc1.C4(N)=O.C56 |
10172 | Cc1c(C(N)=O)sc2ncn(CC(=O)OC(C)C)c(=O)c12 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][C][N][=C][N][Branch1][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][=Ring1][=C] | Cc1c5sc2ncn6c(=O)c12.C6C3=O.C5(N)=O.C4(C)C.O34 |
10173 | Cc1c(C(N)=O)sc2ncn(Cc3ccc(F)cc3)c(=O)c12 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][C][N][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Branch1][=Ring1][#C] | Cc1c4sc2ncn5c(=O)c12.c16ccc(F)cc1.C4(N)=O.C56 |
10174 | Cc1cccc(Cn2cnc3sc(C(N)=O)c(C)c3c2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][=N][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][C][C][=Ring1][=Branch2][C][Ring1][=N][=O][=C][Ring2][Ring1][Branch1] | n15cnc2sc4c(C)c2c1=O.Cc1cccc6c1.C4(N)=O.C56 |
10175 | CCCn1cnc2sc(C(N)=O)c(C)c2c1=O | [C][C][C][N][C][=N][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][C][C][=Ring1][=Branch2][C][Ring1][=N][=O] | n14cnc2sc3c(C)c2c1=O.CCC4.C3(N)=O |
10176 | CC(=O)c1cccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Ring1][O][N][=C][Ring2][Ring1][Branch1] | c16sc2nc(C)cc(C)c2c1N.c17cccc5c1.CC7=O.C46=O.N45 |
10178 | O=C1CN(C(=O)c2ccccc2)c2ccccc2N1 | [O][=C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C] | O=C1CN3c2ccccc2N1.c14ccccc1.C34=O |
10179 | COc1cccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Ring1][O][N][=C][Ring2][Ring1][Branch1] | c17sc2nc(C)cc(C)c2c1N.c15cccc6c1.C47=O.CO5.N46 |
10181 | COC(=O)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][O][Ring1][P] | c18ccc7cn1.c15ccc6o1.C7(F)(F)F.C35=O.CO3.C46.S48 |
10184 | O=C(c1cccs1)n1ccc(-c2ccc3c(c2)CCO3)n1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][=N][Ring1][=C] | c15ccc2c(c1)CCO2.O=C4n1ccc5n1.c14cccs1 |
10185 | CCOC(=O)c1c[nH]c(SCC(=O)c2ccc(Cl)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][NH1][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][S] | c17ccc(Cl)cc1.c16c[nH]c8n1.C5C7=O.C36=O.CC4.O34.S58 |
10187 | COC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][#C] | c14nc(C)cc(C)n1.c16ccc5cc1.C36=O.CO3.N45 |
10188 | COc1ccc(Nc2nc(C)cc(C)n2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][Branch1][Ring1][O][C][=C][Ring1][P] | c13ccc6c4c1.c15nc(C)cc(C)n1.CO3.N56.O4C |
10189 | CC(=O)Nc1ccc(Nc2nc(C)cc(C)n2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][#C] | c14nc(C)cc(C)n1.c15ccc6cc1.CC3=O.N35.N46 |
10191 | CCOC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 | [C][C][O][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N] | c16ccc(Cl)cc1.c15nc6no1.C3(=O)CC5.CC4.O34 |
10192 | N#CCc1nn(-c2ccccc2)c(-n2cccc2)c1C#N | [N][#C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=C][Ring1][S][C][#N] | c13nn5c4c1C#N.c15ccccc1.n14cccc1.N#CC3 |
10193 | CC(=O)Nc1ccc(Oc2nc(C)cc(C)n2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][O][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][#C] | c14nc(C)cc(C)n1.c16ccc5cc1.CC3=O.N36.O45 |
10194 | N#Cc1c(N)nnc(-c2ccccc2)c1-c1ccccc1 | [N][#C][C][=C][Branch1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N#Cc1c(N)nnc3c14.c13ccccc1.c14ccccc1 |
10195 | CCCC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1 | [C][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][S][Ring1][=N] | c14nc2ccc(S(N)(=O)=O)cc2s1.CCCC3=O.N34 |
10196 | N#Cc1cnn(-c2cccc(Cl)c2)c1-n1cccc1 | [N][#C][C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][N][N][C][=C][C][=C][Ring1][Branch1] | N#Cc1cnn4c13.c14cccc(Cl)c1.n13cccc1 |
10198 | CCOC(=O)C1CCN(c2ccc(C(C)=O)cc2N)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][N][C][C][Ring1][S] | c15ccc7cc1N.C16CCN5CC1.C36=O.C7(C)=O.CC4.O34 |
10200 | Cc1nc(NC(=O)c2cc3ccccc3o2)sc1C | [C][C][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][S][C][=Ring1][P][C] | c16cc2ccccc2o1.Cc1nc5sc1C.C46=O.N45 |
10201 | CC(=O)c1sc(NC(=O)c2cc3ccccc3o2)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][C][=Ring1][P][C] | c17cc2ccccc2o1.c16sc5nc1C.CC6=O.C47=O.N45 |
10202 | O=C(Nc1nnc(C2CCCO2)s1)c1cc2ccccc2o1 | [O][=C][Branch2][Ring1][C][N][C][=N][N][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][S][Ring1][#Branch2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c15cc2ccccc2o1.c14nnc6s1.C16CCCO1.O=C35.N34 |
10203 | CCOC(=O)c1cc(CC)sc1NC(=O)C(C)C | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][C][S][C][=Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c16cc7sc15.C3(=O)C(C)C.C26=O.CC4.O24.C7C.N35 |
10205 | CCOC(=O)CSc1nnc(-c2ccccc2)n1N | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][N] | c16nnc7n1N.c17ccccc1.C3(=O)C5.CC4.O34.S56 |
10207 | CC(Oc1cccc(Br)c1)C(=O)NCc1ccco1 | [C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c14cccc(Br)c1.CC3C2=O.c16ccco1.O34.N25.C56 |
10210 | Nc1cc(Cl)c(N2CCOCC2)cc1N1CCOCC1 | [N][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1] | Nc1cc(Cl)c3cc14.N13CCOCC1.N14CCOCC1 |
10211 | CC1CCc2c(sc3ncn(CCO)c(=O)c23)C1 | [C][C][C][C][C][=C][Branch2][Ring1][Ring2][S][C][N][=C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][Ring1][=N][=Ring1][#Branch2][C][Ring1][P] | CC1CCc2c(sc3ncn4c(=O)c23)C1.C4CO |
10212 | CCOC(=O)C(CC)n1cnc2sc(C(=O)OC)c(C)c2c1=O | [C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][N][C][=N][C][S][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][=Ring1][#Branch2][C][Ring1][=C][=O] | n17cnc2sc6c(C)c2c1=O.C3(=O)C7CC.C46=O.CC5.O35.O4C |
10213 | CCC(C)OC(=O)Cn1cnc2sc(C(=O)OC)c(C)c2c1=O | [C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][=Ring1][#Branch2][C][Ring1][=C][=O] | n17cnc2sc6c(C)c2c1=O.CCC5C.C3(=O)C7.C46=O.O35.O4C |
10214 | CCC(C)OC(=O)C(C)n1cnc2sc(C(N)=O)c(C)c2c1=O | [C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][C][C][=Ring1][=Branch2][C][Ring1][=N][=O] | n16cnc2sc5c(C)c2c1=O.C3(=O)C6C.CCC4C.C5(N)=O.O34 |
10215 | CCN(CC)C(=O)Cn1nnc2sc3c(c2c1=O)CCC(C)C3 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][N][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][Branch1][C][C][C][Ring1][#Branch2] | n17nnc2sc3c(c2c1=O)CCC(C)C3.C4(=O)C7.N456.CC5.C6C |
10216 | CCN(CC)C(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][N][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2] | n17nnc2sc3c(c2c1=O)CCCC3.C4(=O)C7.N456.CC5.C6C |
10217 | COC(=O)C(C)n1nnc2sc3c(c2c1=O)CCCC3 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][N][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2] | n15nnc2sc3c(c2c1=O)CCCC3.C4(=O)C5C.CO4 |
10218 | CC(C)CCn1nnc2sc3c(c2c1=O)CCCC3 | [C][C][Branch1][C][C][C][C][N][N][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2] | n14nnc2sc3c(c2c1=O)CCCC3.CC(C)CC4 |
10219 | COC(=O)C(C)n1nnc2sc3c(c2c1=O)CCC(C)C3 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][N][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][Branch1][C][C][C][Ring1][#Branch2] | n15nnc2sc3c(c2c1=O)CCC(C)C3.C4(=O)C5C.CO4 |
10221 | N#Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][P] | S3(=O)(=O)c1ccc(Cl)cc1.N#Cc1cccc4c1.N34 |
10225 | Cc1cc(=O)[nH]c(SCc2ccccc2F)n1 | [C][C][=C][C][=Branch1][C][=O][NH1][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][S] | Cc1cc(=O)[nH]c5n1.c14ccccc1F.S35.C34 |
10227 | Cc1n[nH]c(Nc2cccc(Cl)c2Cl)nc1=O | [C][C][=N][NH1][C][Branch1][=C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=N][C][Ring1][#C][=O] | Cc1n[nH]c3nc1=O.c14cccc(Cl)c1Cl.N34 |
10229 | Cc1cc(=O)[nH]c(Nc2ccc(F)c(Cl)c2)n1 | [C][C][=C][C][=Branch1][C][=O][NH1][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][S] | Cc1cc(=O)[nH]c3n1.c14ccc(F)c(Cl)c1.N34 |
10232 | O=C(c1cccnc1Oc1ccccc1)N1CCOCC1 | [O][=C][Branch2][Ring1][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15cccnc13.c14ccccc1.N12CCOCC1.O=C25.O34 |
10233 | CC(Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCOCC1 | [C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc6cc1.c16ccccc1.N13CCOCC1.CC4C3=O.O45 |
10234 | COc1cc(-c2nnn(-c3ccc(C)cc3)n2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][N][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc8cc5c16.c17ccc(C)cc1.c18nnn7n1.CO4.O5C.O6C |
10235 | Cc1cc(OC(C)C(=O)N2CCOCC2)cc(C)c1Cl | [C][C][=C][C][Branch2][Ring1][C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][C][C][=C][Ring2][Ring1][C][Cl] | Cc1cc5cc(C)c1Cl.N13CCOCC1.C4(C)C3=O.O45 |
10236 | Cc1cc(OC(C)C(=O)NCC2CCCO2)cc(C)c1Cl | [C][C][=C][C][Branch2][Ring1][Ring1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1cc5cc(C)c1Cl.C4(C)C3=O.C17CCCO1.O45.N36.C67 |
10237 | Cc1cc(OC(C)C(=O)Nc2ccccc2C(N)=O)cc(C)c1Cl | [C][C][=C][C][Branch2][Ring1][Branch2][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1][Cl] | Cc1cc5cc(C)c1Cl.c16ccccc17.C4(C)C3=O.C7(N)=O.O45.N36 |
10238 | Cc1cc(=O)oc2cc(OC(C)C(=O)NCC3CCCO3)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][Ring1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][C] | Cc1cc(=O)oc2cc6ccc12.C5(C)C4=O.C18CCCO1.O56.N47.C78 |
10239 | COc1ccc(C(=O)Nn2c(C)cc(=O)cc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][N][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][Branch2][C][C][=C][Ring2][Ring1][C] | C4(=O)Nn1c(C)cc(=O)cc1C.c13ccc4cc1.CO3 |
10241 | Cc1cc(=O)oc2cc(OC(C)C(=O)Nc3nccs3)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][P] | Cc1cc(=O)oc2cc6ccc12.C5(C)C4=O.c17nccs1.O56.N47 |
10242 | Cc1nnc(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)s1 | [C][C][=N][N][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][S][Ring2][Ring1][#Branch1] | c16ccc2c(C)cc(=O)oc2c1.Cc1nnc7s1.C4(=O)C5C.N47.O56 |
10243 | Cc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1Cl | [C][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][Cl] | N4C1=NS(=O)(=O)c2ccccc21.Cc1ccc4cc1Cl |
10244 | O=S1(=O)N=C(Nc2ccccc2Br)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | O=S1(=O)N=C(N3)c2ccccc21.c13ccccc1Br |
10245 | CC(=O)Nc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 | [C][C][=Branch1][C][=O][N][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.CC4=O.N45 |
10246 | O=S1(=O)N=C(Nc2nc3ccccc3s2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | O=S1(=O)N=C(N4)c2ccccc21.c14nc2ccccc2s1 |
10247 | Cc1ccc(COC(=O)CNC(=O)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc8cc1.c17ccccc1.C3(=O)C6.C47=O.C58.O35.N46 |
10248 | CCOC(=O)c1c(NC(=O)c2ccc(O)cc2)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][C][Branch1][C][C][=C][Ring1][S][C] | c17c6sc(C)c1C.c18ccc(O)cc1.C37=O.C48=O.CC5.O35.N46 |
10249 | CCN(CC)C(=O)Cn1cnc2sc3c(c2c1=O)CCC(C)C3 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][Branch1][C][C][C][Ring1][#Branch2] | n17cnc2sc3c(c2c1=O)CCC(C)C3.C4(=O)C7.N456.CC5.C6C |
10250 | CCN(CC)C(=O)Cn1cnc2sc(C)c(C)c2c1=O | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O][=O] | n16cnc2sc(C)c(C)c2c1=O.C3(=O)C6.N345.CC4.C5C |
10251 | Cc1sc2ncn(CCOc3ccccc3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][S][C][=Ring2][Ring1][Ring1][C] | Cc1sc2ncn6c(=O)c2c1C.c15ccccc1.C6C4.O45 |
10252 | CCOc1ccc(C2C(C(=O)OC(C)C)=C(C)Nc3nnnn32)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c17ccc(C2C(C4=O)=C(C)Nc3nnnn32)cc1.C6(C)C.CC5.O57.O46 |
10253 | COc1ccccc1C1C(C(=O)OC(C)C)=C(C)Nc2nnnn21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][Ring1][S] | c15ccccc1C1C(C3=O)=C(C)Nc2nnnn21.C4(C)C.CO5.O34 |
10254 | Nc1ccc(Cl)cc1C(=O)NCc1cccs1 | [N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1] | Nc1ccc(Cl)cc14.c15cccs1.C24=O.N23.C35 |
10255 | CCOc1ccccc1C1C(C(=O)OC(C)C)=C(C)Nc2nnnn21 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][Ring1][S] | c16ccccc1C1C(C3=O)=C(C)Nc2nnnn21.C5(C)C.CC4.O46.O35 |
10257 | CC1CCN(C(=O)CSc2nnc(-c3ccccc3)n2N)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][N][C][C][Ring2][Ring1][=Branch1] | CC1CCN4CC1.c16nnc7n1N.c17ccccc1.C4(=O)C5.S56 |
10258 | Cc1ccc(CSc2nnc(-c3ccncc3)n2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][N][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.c16nnc7n1N.c17ccncc1.C45.S46 |
10259 | Nn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccncc1 | [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][=N][C][=C][Ring1][=Branch1] | Nn1c5nnc16.N13CCCCCC1.c16ccncc1.C4C3=O.S45 |
10260 | CC1CCN(C(=O)CSc2nnc(-c3ccncc3)n2N)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][N][C][C][Ring2][Ring1][=Branch1] | CC1CCN4CC1.c16nnc7n1N.c17ccncc1.C4(=O)C5.S56 |
10261 | CCOC(=O)CSc1nnc(-c2ccccc2Cl)n1N | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][N] | c16nnc7n1N.c17ccccc1Cl.C3(=O)C5.CC4.O34.S56 |
10263 | CCOC(=O)CSc1nnc(-c2ccc(OC)cc2)n1N | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Ring1][=N][N] | c17nnc8n1N.c18ccc5cc1.C3(=O)C6.CC4.O34.S67.O5C |
10264 | CCN(CC)C(=O)CSc1nnc(-c2ccc(OC)cc2)n1N | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Ring1][=N][N] | c18nnc9n1N.c19ccc4cc1.C3(=O)C7.N356.CC5.C6C.S78.O4C |
10265 | CNc1ccccc1C(=O)NCCc1ccncc1 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14ccccc15.c16ccncc1.C25=O.C3C6.CN4.N23 |
10266 | Cc1c(C(N)=O)sc2ncn(CC(=O)NCc3ccco3)c(=O)c12 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][C][N][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][#Branch1][=Ring1][P] | Cc1c6sc2ncn7c(=O)c12.c18ccco1.C7C4=O.C6(N)=O.N45.C58 |
10267 | Cc1c(C(N)=O)sc2ncn(CC(=O)N3CCOCC3)c(=O)c12 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][C][N][=C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch1][=Ring1][S] | Cc1c5sc2ncn6c(=O)c12.N14CCOCC1.C6C4=O.C5(N)=O |
10268 | Cc1cc2c(=O)n(Cc3ccc(Br)cc3)cnc2s1 | [C][C][=C][C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=N][C][=Ring1][#C][S][Ring2][Ring1][C] | Cc1cc2c(=O)n4cnc2s1.c15ccc(Br)cc1.C45 |
10269 | Cc1c(C(=O)OCc2ccccc2)sc2nc[nH]c(=O)c12 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][N][=C][NH1][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][=Ring1][#Branch1] | Cc1c5sc2nc[nH]c(=O)c12.c16ccccc1.C35=O.O34.C46 |
10271 | O=c1c2c3c(sc2ncn1CCO)CCCC3 | [O][=C][C][C][=C][Branch1][=N][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][C][C][O][C][C][C][C][Ring1][=C] | O=c1c2c3c(sc2ncn14)CCCC3.C4CO |
10272 | CCC(=O)c1ccc(OCC(=O)N(CC)CC)cc1 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][O][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][#C] | c17ccc4cc1.CCC7=O.C3C2=O.N256.O34.C5C.C6C |
10273 | O=c1c2c3c(sc2ncn1CC(O)CO)CCCC3 | [O][=C][C][C][=C][Branch1][P][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][C][C][Branch1][C][O][C][O][C][C][C][C][Ring1][S] | O=c1c2c3c(sc2ncn14)CCCC3.C4C(O)CO |
10275 | O=C(NCCc1ccncc1)c1ccc(Cl)c(Cl)c1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(Cl)c(Cl)c1.c15ccncc1.O=C24.C3C5.N23 |
10276 | COc1cc(-c2cc(=O)c3cc(O)ccc3o2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c17cc(=O)c2cc(O)ccc2o1.c14cc7cc5c16.CO4.O5C.O6C |
10277 | COc1cc(OC)cc(C(=O)Nc2nc3c(s2)CCCC3)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c17nc2c(s1)CCCC2.c15cc6cc8c1.C48=O.CO5.O6C.N47 |
10278 | Cn1nc(C(F)(F)F)c(-c2ccccc2)c1NS(C)(=O)=O | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][N][S][Branch1][C][C][=Branch1][C][=O][=O] | Cn1nc5c6c14.c16ccccc1.C5(F)(F)F.S3(C)(=O)=O.N34 |
10279 | O=C(Nc1nc2c(s1)CCCC2)Oc1ccccc1 | [O][=C][Branch1][P][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nc2c(s1)CCCC2.c15ccccc1.O=C34.N46.O35 |
10281 | Cc1ccc2nc(NC3=NS(=O)(=O)c4ccccc43)sc2c1 | [C][C][=C][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][S][C][Ring1][P][=C][Ring2][Ring1][Branch1] | N5C1=NS(=O)(=O)c2ccccc21.Cc1ccc2nc5sc2c1 |
10282 | CCN(CC)C(=O)COc1ccc2oc(-c3ccco3)cc(=O)c2c1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][C][=Branch1][C][=O][C][Ring1][N][=C][Ring1][S] | c16ccc2oc9cc(=O)c2c1.c19ccco1.C4(=O)C5.N478.CC7.C8C.O56 |
10283 | CC(C)OC(=O)COc1c(-c2ccco2)oc2ccccc2c1=O | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][O][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O] | c16c7oc2ccccc2c1=O.c17ccco1.C3(=O)C5.CC4C.O34.O56 |
10285 | FC(F)(F)Oc1ccc(-c2cn3cccnc3n2)cc1 | [F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][=C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring1][#C] | c15cn2cccnc2n1.c14ccc5cc1.FC(F)(F)O4 |
10286 | COc1cc2c(cc1OC)C(C)N(C(=O)c1cc(C)on1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | c14cc2c(cc15)C(C)N3CC2.c16cc(C)on1.C36=O.CO4.O5C |
10287 | Nc1cc2c(c(Cc3cc(N)cc4c3OCOC4)c1)OCOC2 | [N][C][=C][C][=C][Branch2][Ring1][O][C][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O][C][O][C][Ring1][=Branch1][=C][Ring2][Ring1][C][O][C][O][C][Ring2][Ring1][Ring2] | Nc1cc5c2c(c1)COCO2.c16cc(N)cc2c1OCOC2.C56 |
10288 | COc1cc2c(cc1OC)C(C)N(C(=O)c1snnc1C)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][S][N][=N][C][=Ring1][Branch1][C][C][C][Ring2][Ring1][Ring1] | c14cc2c(cc15)C(C)N3CC2.c16snnc1C.C36=O.CO4.O5C |
10289 | COc1cc2c(cc1OC)C(C)N(C(=O)c1c(C)noc1C)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring2][Ring1][Ring2] | c14cc2c(cc15)C(C)N3CC2.c16c(C)noc1C.C36=O.CO4.O5C |
10291 | O=C(Nc1ccc(F)cc1F)Nc1ccccc1C(=O)NCC1CC1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1] | c16ccc(F)cc1F.c17ccccc18.O=C23.C48=O.C19CC1.N26.N37.N45.C59 |
10292 | CCOC(=O)c1c(NC(=O)c2ccncc2)sc2c1C(C)CCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][S][C][=C][Ring1][=C][C][Branch1][C][C][C][C][C][Ring1][#Branch1] | c17c6sc2c1C(C)CCC2.c18ccncc1.C37=O.C48=O.CC5.O35.N46 |
10294 | CCOC(=O)c1cc2cc(Br)ccc2o1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2] | c15cc2cc(Br)ccc2o1.C35=O.CC4.O34 |
10295 | COc1cc(C2NC(=O)c3ccccc3N2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | C17NC(=O)c2ccccc2N1.c14cc7cc5c16.CO4.O5C.O6C |
10296 | FC(F)(F)c1nc(NCc2cccnc2)c2ccccc2n1 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | c15nc4c2ccccc2n1.c16cccnc1.FC5(F)F.N34.C36 |
10297 | COc1ccc(C(=O)OCn2cnc3ccccc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Branch1] | n17cnc2ccccc2c1=O.c15ccc6cc1.C46=O.O4C7.CO5 |
10298 | O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)c1ccccc1 | [O][=C][Branch2][Ring1][Branch2][C][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15cnc2sc3c(c2c1=O)CCCC3.c14ccccc1.O=C4C5 |
10299 | Cc1ccc(C(=O)Cn2cnc3sc(C(N)=O)c(C)c3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][C][C][=Ring1][=Branch2][C][Ring1][=N][=O][C][=C][Ring2][Ring1][#Branch1] | n16cnc2sc4c(C)c2c1=O.Cc1ccc5cc1.C5(=O)C6.C4(N)=O |
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