ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1924019 | O=S(=O)(NCC1COC2(CCCC2)O1)N1CCCCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][N][C][C][C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1] | O=S(=O)(N3)N1CCCCC1.C14COC2(CCCC2)O1.C34 |
1924020 | Cc1ccc(C(=O)OCc2nnc(C)s2)s1 | [C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][O][C][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][S][Ring1][#C] | Cc1ccc5s1.c16nnc(C)s1.C35=O.O34.C46 |
1924021 | CCc1sc(C(=O)OCc2nnc(C)s2)cc1C | [C][C][C][S][C][Branch1][P][C][=Branch1][C][=O][O][C][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][C][=Ring1][#C][C] | c16sc5cc1C.c17nnc(C)s1.C35=O.CC6.O34.C47 |
1924022 | O=S(=O)(NCCCn1ccnc1)c1ccccn1 | [O][=S][=Branch1][C][=O][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] | O=S3(=O)c1ccccn1.n14ccnc1.C2CC4.N23 |
1924023 | c1ccc(-n2cnnc2CNc2ccc3ccccc3n2)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1] | c15ccc2ccccc2n1.c1ccc7cc1.n17cnnc16.C46.N45 |
1924024 | c1cncc(CN(Cc2ccc(-n3ccnc3)nc2)Cc2ccco2)c1 | [C][=C][N][=C][C][Branch2][Ring1][S][C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][N][=C][Ring1][O][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][#Branch2] | c19ccc%10nc1.c1cncc8c1.n1%10ccnc1.c17ccco1.N456.C48.C59.C67 |
1924025 | c1cncc(CN(Cc2ccncc2)Cc2ccco2)c1 | [C][=C][N][=C][C][Branch2][Ring1][=Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Branch1] | c1cncc7c1.c18ccncc1.c16ccco1.N345.C37.C48.C56 |
1924026 | COC(=O)CN(C)C(C)c1cccc(-c2ccncc2)c1 | [C][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][N] | c16cccc7c1.c17ccncc1.C3(=O)C4.N45C.C56C.CO3 |
1924027 | COc1ccc(NC(=O)N(C)Cc2ccnc(N(C)C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | c15ccc8cc1.c19ccnc7n1.C34=O.N46C.N7(C)C.CO5.N38.C69 |
1924028 | Cc1nc(NC2CCOC2c2ccc(Cl)cc2)nc(N(C)C)n1 | [C][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][O][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring2][Ring1][=Branch1] | Cc1nc3nc4n1.c16ccc(Cl)cc1.C15CCOC16.N4(C)C.N35 |
1924031 | C=CCn1c(SCN2CCCCC2=O)nnc1C1CC1 | [C][=C][C][N][C][Branch1][N][S][C][N][C][C][C][C][C][Ring1][=Branch1][=O][=N][N][=C][Ring1][=C][C][C][C][Ring1][Ring1] | n13c5nnc16.N14CCCCC1=O.C=CC3.S5C4.C16CC1 |
1924033 | COc1ccc(-c2nc(Cn3oc4ccccc4c3=O)co2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][C][Branch1][S][C][N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][=C][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | n16oc2ccccc2c1=O.c15ccc8cc1.c18nc7co1.CO5.C67 |
1924034 | c1ccc(SCCOc2cccc(-n3cncn3)c2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch1][S][C][C][O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c15cccc7c1.c1ccc8cc1.n17cncn1.C6C4.S68.O45 |
1924036 | Cc1oc2ncnc(NC(=O)NCCc3ccc(Cl)cc3)c2c1C | [C][C][O][C][=N][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][=Ring2][Ring1][=Branch1][C] | Cc1oc2ncnc7c2c1C.c18ccc(Cl)cc1.C45=O.C6C8.N47.N56 |
1924037 | CCCN(CCO)C(=O)Nc1scnc1-c1ccccc1 | [C][C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][C][S][C][=N][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16scnc17.c17ccccc1.CCC4.N245.C5CO.C23=O.N36 |
1924038 | CCn1cnnc1C1CCCN(C(=O)Nc2ccc(OC)cc2)C1 | [C][C][N][C][=N][N][=C][Ring1][Branch1][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][P] | C18CCCN3C1.c16ccc5cc1.n17cnnc18.C34=O.CC7.N46.O5C |
1924039 | CCn1cnnc1C1CCCN(C(=O)Nc2ccc(C)c(Cl)c2)C1 | [C][C][N][C][=N][N][=C][Ring1][Branch1][C][C][C][C][N][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] | c15ccc(C)c(Cl)c1.C17CCCN3C1.n16cnnc17.C34=O.CC6.N45 |
1924043 | Cc1nc(-c2cccc(NC(=O)Nc3cc(C)n(C)n3)c2)no1 | [C][C][=N][C][Branch2][Ring1][#C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][N][Branch1][C][C][N][=Ring1][#Branch1][=C][Ring1][P][=N][O][Ring2][Ring1][=Branch1] | c18cccc7c1.c16cc(C)n(C)n1.Cc1nc8no1.C45=O.N47.N56 |
1924044 | O=C(OCc1cnns1)c1cnn(Cc2ccccc2)c1 | [O][=C][Branch1][#Branch2][O][C][C][=C][N][=N][S][Ring1][Branch1][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N] | c15cnn6c1.c18ccccc1.c17cnns1.O=C35.O34.C47.C68 |
1924045 | NC(=O)C1CC(O)CN1S(=O)(=O)c1cccc2ncccc12 | [N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | S3(=O)(=O)c1cccc2ncccc12.C14CC(O)CN13.NC4=O |
1924046 | Cc1ccc(Br)c(S(=O)(=O)N2CCC(CO)C2)c1 | [C][C][=C][C][=C][Branch1][C][Br][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][O][C][Ring1][#Branch1][=C][Ring1][P] | Cc1ccc(Br)c(S3(=O)=O)c1.N13CCC4C1.C4O |
1924047 | CC(O)CC(C)(C)CNS(=O)(=O)c1cccc2ncccc12 | [C][C][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | S4(=O)(=O)c1cccc2ncccc12.CC(O)CC(C)(C)C3.N34 |
1924048 | Cc1csc(NC(=O)NCc2cnn(C)c2N)n1 | [C][C][=C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=N][Ring1][P] | c17cnn(C)c1N.Cc1csc6n1.C34=O.N36.N45.C57 |
1924049 | COc1cc(C)nc(NC(=O)C2CCOc3ccccc32)n1 | [C][O][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring2][Ring1][Ring2] | C4(=O)C1CCOc2ccccc21.c15cc(C)nc6n1.CO5.N46 |
1924050 | Cc1[nH]c2ncnc(NC(=O)COc3ccccc3)c2c1C | [C][C][NH1][C][=N][C][=N][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C][=Ring2][Ring1][Ring2][C] | Cc1[nH]c2ncnc7c2c1C.c16ccccc1.C4(=O)C5.N47.O56 |
1924051 | CCOc1ccc(OCC(=O)Nc2ncnc3[nH]c(C)c(C)c23)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][O][O][C][C][=Branch1][C][=O][N][C][=N][C][=N][C][NH1][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][O][=Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | c19ncnc2[nH]c(C)c(C)c12.c17ccc8cc1.C6C4=O.CC5.O57.O68.N49 |
1924052 | Cc1cc(NC(=O)CNC(C)c2ccncc2)n(C)n1 | [C][C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][C][C][N][=Ring2][Ring1][Ring1] | Cc1cc6n(C)n1.c17ccncc1.C3(=O)C4.C57C.N36.N45 |
1924053 | OC(CNC(c1ccccc1)C1CCCCC1)c1ccncc1 | [O][C][Branch2][Ring1][=Branch1][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | c16ccccc1.C14CCCCC1.c15ccncc1.OC5C2.C346.N23 |
1924054 | CN(C)c1nccc(CNC(=O)NCc2ccc3c(c2)OCO3)n1 | [C][N][Branch1][C][C][C][=N][C][=C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | c1%10ccc2c(c1)OCO2.c18nccc9n1.CN8C.C45=O.C69.N46.N57.C7%10 |
1924055 | C1CCC(c2nnc(SCc3nc(C4CC4)n[nH]3)o2)CC1 | [C][C][C][C][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][P][S][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2][O][Ring1][#C][C][C][Ring2][Ring1][Branch1] | C1CCC8CC1.c18nnc7o1.c16nc9n[nH]1.C19CC1.S57.C56 |
1924056 | c1coc(Cn2cnnc2SCc2nc(C3CC3)n[nH]2)c1 | [C][=C][O][C][Branch2][Ring1][=Branch2][C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2][=C][Ring2][Ring1][Branch1] | n15cnnc18.c17nc9n[nH]1.c1coc6c1.C19CC1.C56.S48.C47 |
1924057 | Cc1c(Cl)ccc2ccc(N3CCCC(O)C3)nc12 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Branch1][N][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][N][=C][Ring2][Ring1][C][Ring1][=N] | Cc1c(Cl)ccc2ccc4nc12.N14CCCC(O)C1 |
1924058 | CC(=O)NC1CCN(c2ccc3ccc(Cl)c(C)c3n2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][Ring1][Branch2][=N][Ring1][N][C][C][Ring2][Ring1][C] | c15ccc2ccc(Cl)c(C)c2n1.C16CCN5CC1.CC4=O.N46 |
1924060 | CC(O)CCNc1ccc2c(Br)ccc(Cl)c2n1 | [C][C][Branch1][C][O][C][C][N][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Branch1][C][Cl][C][Ring1][Branch2][=N][Ring1][N] | c14ccc2c(Br)ccc(Cl)c2n1.CC(O)CC3.N34 |
1924061 | OCC(CO)Nc1ccc2ccc(Cl)c(Cl)c2n1 | [O][C][C][Branch1][Ring1][C][O][N][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Ring1][Branch2][=N][Ring1][N] | c14ccc2ccc(Cl)c(Cl)c2n1.OCC3CO.N34 |
1924062 | COCCC(Nc1nc(-c2cccnc2)nc2c1CCC2)C(N)=O | [C][O][C][C][C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][C][C][Ring1][Branch1][C][Branch1][C][N][=O] | c15nc6nc2c1CCC2.C3CC4C(N)=O.c16cccnc1.CO3.N45 |
1924063 | CN(C)c1nccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)n1 | [C][N][Branch1][C][C][C][=N][C][=C][C][Branch2][Ring1][Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][Ring1] | S4(=O)(=O)c1ccc(F)c(Cl)c1.c15nccc6n1.CN5C.C36.N34 |
1924064 | Cc1cc(F)c(S(=O)(=O)NCc2ccnc(N(C)C)n2)cc1F | [C][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1][F] | Cc1cc(F)c(S4(=O)=O)cc1F.c16ccnc5n1.N5(C)C.N34.C36 |
1924065 | O=C(NC1COc2ccccc2C1=O)c1cccc2cn[nH]c12 | [O][=C][Branch1][P][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][C][C][=N][NH1][C][Ring1][=Branch2][=Ring1][Branch1] | C14COc2ccccc2C1=O.c15cccc2cn[nH]c12.O=C35.N34 |
1924066 | O=C(Cc1cccc(F)c1F)NC1COc2ccccc2C1=O | [O][=C][Branch1][=C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | C14COc2ccccc2C1=O.c15cccc(F)c1F.O=C3C5.N34 |
1924067 | Cc1occc1C(=O)NCC1COC2(CCCCC2)O1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring1][#Branch2] | C16COC2(CCCCC2)O1.Cc1occc15.C35=O.N34.C46 |
1924068 | CCC(C)n1nc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1C | [C][C][C][Branch1][C][C][N][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Ring1][C] | c16c[nH]c2ccccc2c1=O.n17nc5cc1C.CCC7C.C46=O.N45 |
1924070 | Cc1csc(C(C)NC(=O)N(Cc2ccccc2)CC(C)(C)O)n1 | [C][C][=C][S][C][Branch2][Ring1][#C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][O][=N][Ring2][Ring1][#Branch1] | Cc1csc8n1.c19ccccc1.C7C(C)(C)O.C58C.C34=O.N467.N35.C69 |
1924071 | Cc1cnc(CNC(=O)N(Cc2ccccc2)CC(C)(C)O)s1 | [C][C][=C][N][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][O][S][Ring2][Ring1][=Branch1] | Cc1cnc8s1.c19ccccc1.C7C(C)(C)O.C34=O.N467.C58.N35.C69 |
1924072 | N#Cc1cnn(CCOC(=O)c2ccn3cncc3c2)c1N | [N][#C][C][C][=N][N][Branch2][Ring1][Branch1][C][C][O][C][=Branch1][C][=O][C][C][=C][N][C][=N][C][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][=Ring2][Ring1][Ring1][N] | c16ccn2cncc2c1.N#Cc1cnn7c1N.C7C5.C46=O.O45 |
1924073 | O=C(OC1CCN(c2ccncn2)CC1)c1ccn2cncc2c1 | [O][=C][Branch2][Ring1][Ring2][O][C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][C][=C][N][C][=N][C][=C][Ring1][Branch1][C][=Ring1][=Branch2] | c16ccn2cncc2c1.C14CCN5CC1.c15ccncn1.O=C36.O34 |
1924074 | COc1ccc(F)c(C(=O)Nc2cccc3c2C(=O)NC3)c1F | [C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][F] | c16cccc2c1C(=O)NC2.c15ccc(F)c7c1F.C47=O.CO5.N46 |
1924075 | C=CCN(C(=O)c1cnc2sc(C)c(C)n2c1=O)c1ccccc1 | [C][=C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][N][=C][S][C][Branch1][C][C][=C][Branch1][C][C][N][Ring1][#Branch1][C][Ring1][O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cnc2sc(C)c(C)n2c1=O.c15ccccc1.C=CC4.N345.C36=O |
1924076 | Cn1c(CO)cnc1S(=O)(=O)Cc1ccc(-n2cccn2)cc1 | [C][N][C][Branch1][Ring1][C][O][=C][N][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O] | Cn1c3cnc1S(=O)(=O)C4.c14ccc5cc1.n15cccn1.C3O |
1924077 | O=c1c2cccnc2ncn1CCSc1ccccc1 | [O][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][N][Ring1][#Branch2][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c2cccnc2ncn14.c15ccccc1.C4C3.S35 |
1924078 | COCc1nnc(-c2cccc(-c3nc(-c4cccs4)no3)c2)o1 | [C][O][C][C][=N][N][=C][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][=C][Ring1][S][O][Ring2][Ring1][Branch1] | c18cccc9c1.c16nnc8o1.c19nc7no1.c17cccs1.CO5.C56 |
1924079 | O=c1onc(-c2ccccn2)n1CCSc1ccccc1F | [O][=C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=c1onc6n14.c15ccccc1F.c16ccccn1.C4C3.S35 |
1924080 | OCCCNc1ccc2cc(Br)cc(Cl)c2n1 | [O][C][C][C][N][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Branch1][C][Cl][C][Ring1][Branch2][=N][Ring1][N] | c14ccc2cc(Br)cc(Cl)c2n1.OCCC3.N34 |
1924081 | CNC(=O)CN(C)c1ccnc2c(F)cc(Br)cc12 | [C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][=N][C][=C][Branch1][C][F][C][=C][Branch1][C][Br][C][=C][Ring1][N][Ring1][Branch2] | c15ccnc2c(F)cc(Br)cc12.C3(=O)C4.N45C.CN3 |
1924083 | Cc1csc2ncc(C(=O)N(C)c3cc(F)ccc3F)c(=O)n12 | [C][C][=C][S][C][=N][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1] | Cc1csc2ncc6c(=O)n12.c15cc(F)ccc1F.C46=O.N45C |
1924084 | CC1(CNC(=O)NCC2(O)CCOC2)CCCCCC1 | [C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][O][C][Ring1][=Branch1][C][C][C][C][C][C][Ring2][Ring1][Ring1] | CC17CCCCCC1.C18(O)CCOC1.C34=O.C57.N35.N46.C68 |
1924085 | CCc1oc(C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)cc1C | [C][C][C][O][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=C][C][=Ring2][Ring1][Branch1][C] | c19oc8cc1C.C17CCN4CC1.C6(C)(C)C.C38=O.C45=O.CC9.N37.N56 |
1924086 | COc1ccc(CNc2nc(SC)ns2)cc1 | [C][O][C][=C][C][=C][Branch1][=C][C][N][C][=N][C][Branch1][Ring1][S][C][=N][S][Ring1][#Branch1][C][=C][Ring1][#C] | c13ccc6cc1.c15nc7ns1.CO3.C46.N45.S7C |
1924087 | Cc1ncc(C(=O)N(CCC(N)=O)c2ccc(F)cc2)c(C)n1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][=N][Ring2][Ring1][=Branch1] | Cc1ncc6c(C)n1.c15ccc(F)cc1.C4CC(N)=O.C36=O.N345 |
1924088 | COc1ccc(CN(C(=O)c2cnc(C)nc2C)C(C)C2CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][C][Branch1][C][C][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1] | c17cnc(C)nc1C.c14ccc9cc1.N356.C37=O.C68C.C18CC1.CO4.C59 |
1924089 | Cc1ncc(C(=O)Nc2ccc(OCC(N)=O)cc2)c(C)n1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring1][O][C][Branch1][C][C][=N][Ring2][Ring1][Branch1] | Cc1ncc7c(C)n1.c16ccc5cc1.C4C(N)=O.C37=O.N36.O45 |
1924090 | Cc1cccc(CN(C(=O)c2cnc(C)nc2C)C2CC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Branch1] | c16cnc(C)nc1C.Cc1cccc7c1.N345.C36=O.C15CC1.C47 |
1924091 | CCNC(=O)C1CCCN(c2nccn(C3CC3)c2=O)C1 | [C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][P][C][=N][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2][=O][C][Ring1][S] | c16nccn8c1=O.C17CCCN6C1.C47=O.C18CC1.CC5.N45 |
1924092 | CCN(C(=O)c1cnc(C)nc1C)c1cccc(F)c1 | [C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cnc(C)nc1C.c14cccc(F)c1.N234.C25=O.CC3 |
1924093 | Cc1ncc(C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)c(C)n1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][C][C][C][Branch1][C][Cl][=C][Ring1][N][C][Branch1][C][C][=N][Ring2][Ring1][=Branch1] | Cc1ncc7c(C)n1.c16ccc5c(Cl)c1.C4C(C)C.C37=O.N36.O45 |
1924094 | C=CCNC(=O)CNC(=O)c1cccnc1Sc1ccccc1 | [C][=C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cccnc17.c18ccccc1.C2(=O)C5.C=CC4.C36=O.N24.N35.S78 |
1924095 | COc1ccc(Cl)cc1CN1CCN(C(=O)N(C)C)CC1(C)C | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][Branch1][C][C][C] | N15CCN2CC1(C)C.c14ccc(Cl)cc16.C23=O.N3(C)C.CO4.C56 |
1924096 | CC1(C)CCC(Cn2ccc3occc3c2=O)CC1 | [C][C][Branch1][C][C][C][C][C][Branch1][S][C][N][C][=C][C][O][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][Ring2][Ring1][C] | n14ccc2occc2c1=O.CC1(C)CCC5CC1.C45 |
1924097 | COc1ccc(NC(C)=O)cc1NCCSc1ccccc1 | [C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][N][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccc6cc17.c18ccccc1.C2(C)=O.C4C5.CO3.N26.N47.S58 |
1924098 | FC(F)(F)Oc1ccc(CCNc2ccc(-n3cncn3)cc2)cc1 | [F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c14ccc7cc1.c16ccc8cc1.FC(F)(F)O4.n18cncn1.C7C5.N56 |
1924100 | COC(=O)c1cc(C(=O)Nc2ccon2)n(-c2ccccc2)n1 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][=C][O][N][=Ring1][Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Ring1] | c16cc7n8n1.c18ccccc1.c15ccon1.C36=O.C47=O.CO3.N45 |
1924101 | COc1ccc(C(=O)Nc2nnc(C(C)(C)O)s2)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][S][Ring1][=Branch2][C][=C][Ring2][Ring1][C][F] | c14ccc6cc1F.c15nnc7s1.C7(C)(C)O.C36=O.CO4.N35 |
1924102 | Cc1ccc(OC(C)C(=O)Nc2nnc(C(C)(C)O)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][S][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | Cc1ccc5cc1.c16nnc7s1.C4(C)C3=O.C7(C)(C)O.O45.N36 |
1924103 | Cc1cc(C(=O)N2CC=C(c3cnccc3C)CC2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][Branch1][#Branch2][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][=N][=C][Branch1][C][C][O][Ring2][Ring1][Branch1] | N14CC=C(c2cnccc2C)CC1.Cc1cc5c(C)o1.C45=O |
1924104 | O=C(CCn1nc2ccccn2c1=O)N1CC=C(c2ccccc2)C1 | [O][=C][Branch1][P][C][C][N][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][Ring1][=Branch2][=O][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O] | N13CC=C(c2ccccc2)C1.n14nc2ccccn2c1=O.O=C3CC4 |
1924105 | Cc1nc(CN(C)C(=O)c2nccc3ccccc23)no1 | [C][C][=N][C][Branch2][Ring1][Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][O][Ring2][Ring1][Ring2] | c16nccc2ccccc12.Cc1nc7no1.N45C.C46=O.C57 |
1924106 | Cc1noc2nc(C(C)C)cc(C(=O)NC(C)c3cncc(F)c3)c12 | [C][C][=N][O][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Branch1] | Cc1noc2nc7cc6c12.c18cncc(F)c1.C7(C)C.C46=O.C58C.N45 |
1924107 | Cc1c(C(=O)NCC2(c3ccccc3)CCC2)ccc2cncn12 | [C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2][C][=C][C][=C][N][=C][N][Ring2][Ring1][#Branch1][Ring1][Branch1] | Cc1c6ccc2cncn12.c18ccccc1.C178CCC1.C46=O.N45.C57 |
1924108 | CCn1cc(NC(=O)c2c[nH]c3cc(F)ccc23)ccc1=O | [C][C][N][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][C][Ring2][Ring1][Ring1][=O] | c16c[nH]c2cc(F)ccc12.n17cc5ccc1=O.C46=O.CC7.N45 |
1924109 | Cn1ncc(C(=O)NCCCOc2ccc(F)cc2)c1N | [C][N][N][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][N] | Cn1ncc7c1N.c15ccc(F)cc1.C6CC4.C37=O.N36.O45 |
1924110 | CC1COCCN1c1ccc(NC(=O)C2CC2c2nc[nH]n2)cc1 | [C][C][C][O][C][C][N][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][N][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][P] | CC1COCCN14.c14ccc5cc1.c17nc[nH]n1.C16CC17.C36=O.N35 |
1924111 | O=C(NC1CCN(c2ccccc2)C1=O)c1c[nH]c2cc(F)ccc12 | [O][=C][Branch2][Ring1][Ring2][N][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1] | c15c[nH]c2cc(F)ccc12.C14CCN6C1=O.c16ccccc1.O=C35.N34 |
1924112 | CC1CN(S(=O)(=O)N2CCOC(C(C)C)C2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2][C][C][Branch1][C][C][O][Ring2][Ring1][Ring1] | CC1CN(S(=O)(=O)N2CCOC3C2)CC(C)O1.C3(C)C |
1924113 | CC(C)(C)c1ncsc1C(=O)NCC(=O)NCC1CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1] | c17ncsc16.CC7(C)C.C4C3=O.C26=O.C18CC1.N24.N35.C58 |
1924114 | CCOC(=O)c1ccc(NC(=O)CN2CCOC(C(C)C)C2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][C][O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c18ccc7cc1.N16CCOC9C1.C4(=O)C6.C38=O.C9(C)C.CC5.O35.N47 |
1924116 | CCc1cnccc1CNc1ccc(C(F)(F)F)nn1 | [C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=N][Ring1][#Branch2] | c15cnccc16.c13ccc4nn1.C4(F)(F)F.CC5.C26.N23 |
1924117 | CCc1oc(C(=O)OC)cc1S(=O)(=O)NCc1c(C)noc1C | [C][C][C][O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C] | c16oc5cc1S4(=O)=O.c17c(C)noc1C.C25=O.CC6.O2C.N34.C37 |
1924118 | CCc1cnccc1CNC(=O)C1C2CCCCC21 | [C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][=Branch1][Ring1][#Branch1] | c16cnccc17.C15C2CCCCC12.C35=O.CC6.C47.N34 |
1924119 | CN1CCOC(C(=O)N2CCCC(n3nccc3C(F)(F)F)C2)C1 | [C][N][C][C][O][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][S][N][N][=C][C][=C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#C][C][Ring2][Ring1][#Branch1] | CN1CCOC5C1.N14CCCC7C1.n17nccc16.C6(F)(F)F.C45=O |
1924120 | Cc1cc(S(=O)(=O)N2c3ccccc3NC(=O)CC2C)c(C)o1 | [C][C][=C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Ring1][N][C][=C][Branch1][C][C][O][Ring2][Ring1][=Branch1] | N14c2ccccc2NC(=O)CC1C.Cc1cc(S4(=O)=O)c(C)o1 |
1924121 | CN1CN(C(=O)Nc2ccccc2COc2ccccc2)CC1=O | [C][N][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1][=O] | CN1CN3CC1=O.c17ccccc18.c16ccccc1.C34=O.N47.C58.O56 |
1924122 | Cc1oncc1NC(=O)Nc1cccc(N2CCNC2=O)c1 | [C][C][O][N][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][N][C][Ring1][Branch1][=O][=C][Ring1][N] | c16cccc7c1.Cc1oncc15.N17CCNC1=O.C34=O.N35.N46 |
1924123 | Cc1ccsc1C(=O)N1CC(C(=O)OCc2ccccc2)C1 | [C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | Cc1ccsc16.c18ccccc1.N14CC7C1.C46=O.C37=O.O35.C58 |
1924124 | Cc1ccnc(NCc2cccc(C(=O)NCC(F)(F)F)c2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][O][N][C][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=N][Ring2][Ring1][=Branch1] | Cc1ccnc6n1.c18cccc7c1.C5C(F)(F)F.C37=O.N46.C48.N35 |
1924125 | Cc1nsc(N2CCCN(C(=O)c3ccc4cc[nH]c4n3)CC2)n1 | [C][C][=N][S][C][Branch2][Ring1][#C][N][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=N][Ring1][=Branch2][C][C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1] | c17ccc2cc[nH]c2n1.N16CCCN5CC1.Cc1nsc6n1.C57=O |
1924126 | Cc1nc2cc(C(=O)N3CC(C)C(N4CCOCC4)C3)ccc2[nH]1 | [C][C][=N][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1] | Cc1nc2cc7ccc2[nH]1.N15CC6C(C)C1.N16CCOCC1.C57=O |
1924127 | Cc1nc(CCNc2ccc(C)c(F)c2)cs1 | [C][C][=N][C][Branch2][Ring1][C][C][C][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2][=C][S][Ring1][S] | c14ccc(C)c(F)c1.Cc1nc5cs1.C5C3.N34 |
1924128 | COc1cc2ccncc2cc1OCC(=O)Nc1ccc(F)c(F)c1 | [C][O][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c15cc2ccncc2cc16.c17ccc(F)c(F)c1.C4C3=O.CO5.O46.N37 |
1924129 | COc1cc2ccncc2cc1OCC(=O)Nc1ccccc1C | [C][O][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c15cc2ccncc2cc16.c17ccccc1C.C4C3=O.CO5.O46.N37 |
1924130 | c1csc(CCn2nccc2-c2ccncc2)c1 | [C][=C][S][C][Branch2][Ring1][C][C][C][N][N][=C][C][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | n13nccc15.c15ccncc1.c1csc4c1.C4C3 |
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