ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1930054 | CN(C)C(=O)c1ccc2ccc(N(C)c3ccccc3)n2c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Branch1][=N][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C][=Ring1][P] | c17ccc2ccc5n2c1.c16ccccc1.CN4C.C47=O.N56C |
1930055 | COCCn1c(C(=O)N2CCCCC2)cc2c1c1ccccc1n2C | [C][O][C][C][N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | n16c5cc2c1c1ccccc1n2C.N13CCCCC1.C4C6.C35=O.CO4 |
1930056 | CCCNC(=O)c1cc2c(c3ccccc3n2C)n1S(C)(=O)=O | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O] | c16cc2c(c3ccccc3n2C)n1S(C)(=O)=O.CCC5.C46=O.N45 |
1930058 | CN(C)C(=O)c1cc2c(c3ccccc3n2C)n1S(C)(=O)=O | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cc2c(c3ccccc3n2C)n1S(C)(=O)=O.CN4C.C45=O |
1930059 | COCCN(C)C(=O)c1cc2c(c3ccccc3n2C)n1C | [C][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C] | c17cc2c(c3ccccc3n2C)n1C.C5C6.N46C.C47=O.CO5 |
1930060 | CC(C)NC(=O)c1cc2c(c3ccccc3n2C)n1C(C)C | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C][Branch1][C][C][C] | c16cc2c(c3ccccc3n2C)n17.CC5C.C46=O.C7(C)C.N45 |
1930061 | CC(C)n1c(C(=O)NCC(=O)N(C)C)cc2c1c1ccccc1n2C | [C][C][Branch1][C][C][N][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | n17c6cc2c1c1ccccc1n2C.C5C4=O.CC7C.C36=O.N4(C)C.N35 |
1930062 | CC(C)n1c(C(=O)N(C)C)cc2c1c1ccccc1n2C | [C][C][Branch1][C][C][N][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | n15c4cc2c1c1ccccc1n2C.CC5C.C34=O.N3(C)C |
1930063 | CCCNC(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Ring1][=N][C][=N][C][=C][C][=N][Ring1][=Branch1] | c16cc2c(c3ccccc3n2C)n17.c17ncccn1.CCC5.C46=O.N45 |
1930064 | COCCn1c(C(=O)NC(C)C)cc2c1c1ccccc1n2C(C)C | [C][O][C][C][N][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C] | n17c6cc2c1c1ccccc1n28.C4C7.C36=O.C5(C)C.C8(C)C.CO4.N35 |
1930065 | CC(C)n1c2ccccc2c2c1cc(C(=O)N(C)C)n2C | [C][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][#Branch2][C] | n15c2ccccc2c2c1cc4n2C.CC5C.C34=O.N3(C)C |
1930066 | CC(C)n1c2ccccc2c2c1cc(C(=O)NCc1ccco1)n2C | [C][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][=C][C] | n16c2ccccc2c2c1cc5n2C.c17ccco1.CC6C.C35=O.N34.C47 |
1930068 | CS(=O)(=O)N1CCc2sc(C(=O)N3CCOCC3)cc21 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][S][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=Ring1][=N][Ring1][S] | N15CCc2sc6cc21.N14CCOCC1.CS5(=O)=O.C46=O |
1930069 | CS(=O)(=O)N1CCc2sc(C(=O)Nc3ccccc3F)cc21 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][S][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=Ring1][#C][Ring2][Ring1][C] | N15CCc2sc7cc21.c16ccccc1F.CS5(=O)=O.C47=O.N46 |
1930070 | CN1CCCc2sc(C(=O)N3CCCC3)nc21 | [C][N][C][C][C][C][S][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][C][=Ring1][N][Ring1][S] | CN1CCCc2sc5nc21.N14CCCC1.C45=O |
1930072 | CS(=O)(=O)N1CCCc2sc(C(=O)NC3CC3)nc21 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][S][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=N][C][=Ring1][O][Ring1][#C] | N15CCCc2sc7nc21.CS5(=O)=O.C47=O.C16CC1.N46 |
1930073 | CS(=O)(=O)N1CCCc2sc(C(=O)N3CCCC3)nc21 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][S][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][C][=Ring1][N][Ring1][S] | N15CCCc2sc6nc21.N14CCCC1.CS5(=O)=O.C46=O |
1930075 | O=C(NCc1cccnc1)c1nc2c(s1)CCCN2C(=O)C1CC1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Ring1] | c16nc2c(s1)CCCN24.c18cccnc1.O=C36.C47=O.C17CC1.N35.C58 |
1930076 | CNC(=O)N1CCc2nc(C(=O)Nc3cccnc3)sc2CC1 | [C][N][C][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=Ring1][=C][C][C][Ring2][Ring1][Ring1] | N15CCc2nc8sc2CC1.c17cccnc1.C45=O.C68=O.CN4.N67 |
1930077 | CNC(=O)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1 | [C][N][C][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][C][=Ring1][=N][C][C][Ring2][Ring1][C] | N15CCc2nc7sc2CC1.N16CCCCC1.C45=O.C67=O.CN4 |
1930079 | CN(C)C(=O)c1nc2c(n1C)CCN(Cc1ccccc1)C2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Branch1][N][Ring1][Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C] | c15nc2c(n1C)CCN4C2.c16ccccc1.CN3C.C35=O.C46 |
1930080 | Cn1c(C(=O)N2CCCC2)nc2c1CCN(C(=O)c1cccnc1)C2 | [C][N][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][C][=C][Ring1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=C] | Cn1c5nc2c1CCN4C2.c16cccnc1.N13CCCC1.C35=O.C46=O |
1930081 | Cn1c(C(=O)N2CCCC2)nc2c1CCN(c1ncccn1)C2 | [C][N][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][C][=C][Ring1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | Cn1c5nc2c1CCN4C2.c14ncccn1.N13CCCC1.C35=O |
1930083 | CC(C)n1c(C(=O)N2CCCC2)nc2c1CCN(c1ncccn1)C2 | [C][C][Branch1][C][C][N][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][C][=C][Ring1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | n16c5nc2c1CCN4C2.c14ncccn1.N13CCCC1.CC6C.C35=O |
1930084 | CC(C)CN1C(=O)OCC1C(=O)NCc1ccc2c(c1)OCO2 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.N16C(=O)OCC15.CC(C)C6.C35=O.N34.C47 |
1930085 | O=C(NCc1ccccc1)c1nc2c(o1)CN(Cc1cccnc1)C2 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N] | c16nc2c(o1)CN5C2.c17ccccc1.c18cccnc1.O=C36.N34.C47.C58 |
1930086 | O=C(c1cccnc1)N1Cc2nc(C(=O)N3CCCC3)oc2C1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][O][C][=Ring1][N][C][Ring1][#C] | N14Cc2nc6oc2C1.c17cccnc1.N15CCCC1.O=C47.C56=O |
1930087 | CN(C)C(=O)N1Cc2nc(C(=O)N(C)Cc3ccccn3)oc2C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][O][C][=Ring1][S][C][Ring2][Ring1][Ring1] | N15Cc2nc8oc2C1.c19ccccn1.CN4C.C45=O.C68=O.N67C.C79 |
1930088 | Cn1cc(-c2cnc(N3CCOCC3)nc2)cc1C(=O)N1CCCC1 | [C][N][C][=C][Branch2][Ring1][Ring1][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][N][C][=C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | Cn1cc7cc16.c17cnc5nc1.N15CCOCC1.N14CCCC1.C46=O |
1930089 | Cn1cc(-c2cnc(-c3cccc(F)c3)nc2)cc1C(=O)NC1CC1 | [C][N][C][=C][Branch2][Ring1][=Branch1][C][=C][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=C][Ring1][=N][C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] | Cn1cc8cc16.c18cnc7nc1.c17cccc(F)c1.C46=O.C15CC1.N45 |
1930090 | CN(C)C(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][N][=C][N][Ring1][P][C][C][C][C][Ring1][Ring1] | c15cc9cn16.c19cnc8nc1.c18cccnc1.CN4C.C45=O.C17CC1.C67 |
1930091 | O=C(NC1CC1)c1ccc2onc(-c3coc(C4CC4)n3)c2c1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][O][N][=C][Branch1][#C][C][=C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][Ring1][=N][=C][Ring1][P] | c17ccc2onc8c2c1.c18coc9n1.O=C57.C16CC1.C19CC1.N56 |
1930095 | CC1CCCCN1C(=O)c1cnc(-c2noc3ccccc23)s1 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][S][Ring1][=C] | c16noc2ccccc12.CC1CCCCN14.c15cnc6s1.C45=O |
1930096 | O=C(NCCN1CCOCC1)c1cc(-c2cc[nH]n2)n2ccccc12 | [O][=C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][N][C][=C][C][=C][C][=Ring1][=C][Ring1][=Branch1] | c16cc7n2ccccc12.N15CCOCC1.c17cc[nH]n1.O=C36.C4C5.N34 |
1930097 | O=C(c1cc(-c2ccn(CC3CC3)n2)n2ccccc12)N1CCCC1 | [O][=C][Branch2][Ring1][S][C][C][=C][Branch1][S][C][C][=C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][=Ring1][=Branch2][N][C][=C][C][=C][C][=Ring2][Ring1][C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c15cc8n2ccccc12.c18ccn6n1.N14CCCC1.O=C45.C17CC1.C67 |
1930098 | O=C(NC1CC1)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][C][=C][Branch1][P][C][C][=C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][=Ring1][#Branch2][N][C][=C][C][=C][C][=Ring2][Ring1][Ring1][Ring1][=Branch1] | c16cc8n2ccccc12.c18ccn7n1.C17CCCC1.O=C46.C15CC1.N45 |
1930099 | Cc1nc(-c2cc(C(=O)NC3CC3)c3ccccn23)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][C][=C][C][=C][N][Ring1][#C][Ring1][=Branch1][=C][S][Ring2][Ring1][Ring2] | c17cc6c2ccccn12.Cc1nc7cs1.C46=O.C15CC1.N45 |
1930100 | Cc1nc(-c2cc(C(=O)N3CCC(O)CC3)c3ccccn23)cs1 | [C][C][=N][C][Branch2][Ring1][S][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][=C][C][=C][C][=C][N][Ring2][Ring1][C][Ring1][=Branch1][=C][S][Ring2][Ring1][#Branch1] | c16cc5c2ccccn12.N14CCC(O)CC1.Cc1nc6cs1.C45=O |
1930101 | Cn1cnc(-c2nc(C(=O)NCCc3cccnc3)c3ccccn23)c1 | [C][N][C][=N][C][Branch2][Ring1][S][C][=N][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][C][=C][N][Ring2][Ring1][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2] | c18nc6c2ccccn12.Cn1cnc8c1.c17cccnc1.C46=O.C5C7.N45 |
1930102 | O=C(NC1CC1)c1ccn(-c2ccc3ccccn23)n1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][C][=C][N][Branch1][=C][C][=C][C][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][N][=Ring1][=C] | c17ccc2ccccn12.c16ccn7n1.O=C46.C15CC1.N45 |
1930103 | CN(C)C(=O)c1ccn(-c2ccc3ccc(-c4cccnc4)cn23)n1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][N][Branch2][Ring1][Branch2][C][=C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][N][Ring1][#C][Ring1][N][N][=Ring2][Ring1][Ring2] | c17ccc2ccc8cn12.c16ccn7n1.c18cccnc1.CN5C.C56=O |
1930104 | CN(C)C(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][N][Branch2][Ring1][Branch2][C][=C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][N][Ring1][#C][Ring1][N][N][=Ring2][Ring1][Ring2] | c17ccc2ccc8cn12.c16ccn7n1.c18ccncc1.CN5C.C56=O |
1930105 | CC(=O)N1CCC(c2nnc3ccc(C(=O)N4CCCCC4)cn23)C1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][N][C][=N][N][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][N][Ring1][P][Ring1][=C][C][Ring2][Ring1][=Branch1] | c18nnc2ccc7cn12.N15CCC8C1.N16CCCCC1.CC5=O.C67=O |
1930106 | CC(=O)N1CCC2(CCCN(C(=O)C3CCCN3C(C)=O)C2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch2][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][Branch1][C][C][=O][C][Ring1][S][C][C][Ring2][Ring1][Branch1] | N14CCC2(CCCN5C2)CC1.C17CCCN16.CC4=O.C57=O.C6(C)=O |
1930107 | CC(=O)N1CC2c3ccccc3C(NC(=O)Cn3cnnn3)C2C1 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][=N][N][=N][Ring1][Branch1][C][Ring2][Ring1][C][C][Ring2][Ring1][Branch1] | N14CC2c3ccccc3C(N5)C2C1.n16cnnn1.C5(=O)C6.CC4=O |
1930108 | CC(=O)N1CCC2(CCC(CNC(=O)C3CCCCC3)OC2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][C][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][O][C][Ring1][S][C][C][Ring2][Ring1][Branch1] | N14CCC2(CCC8OC2)CC1.C17CCCCC1.CC4=O.C57=O.C68.N56 |
1930109 | CC(=O)N1CCC2(C(=O)NCCc3ccc(F)cc3)CC2C1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][Ring2][Ring1][Ring1] | N14CCC27CC2C1.c18ccc(F)cc1.CC4=O.C57=O.C6C8.N56 |
1930111 | COc1ccc(C(=O)N2CCCC3(CN(C)CCO3)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][O][C][N][Branch1][C][C][C][C][O][Ring1][#Branch1][C][Ring1][N][C][=C][Ring2][Ring1][Ring2] | N14CCCC2(C1)CN(C)CCO2.c15ccc6cc1.C46=O.CO5 |
1930116 | CC(=O)N1CCCC2(CN(CC3CCOC3)CCO2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][C][C][N][Branch1][=Branch2][C][C][C][C][O][C][Ring1][Branch1][C][C][O][Ring1][N][C][Ring1][P] | N14CCCC2(C1)CN5CCO2.C16CCOC1.CC4=O.C56 |
1930117 | COc1ccc(C(=O)N2CCCC3(CN(C(C)=O)CCO3)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][O][Ring1][=Branch2][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | N14CCCC2(C1)CN5CCO2.c16ccc7cc1.C47=O.C5(C)=O.CO6 |
1930118 | CC(=O)N1CCOC2(CCCN(C(=O)c3ccccc3)C2)C1 | [C][C][=Branch1][C][=O][N][C][C][O][C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][C][Ring2][Ring1][Ring1] | N14CCOC2(CCCN5C2)C1.c16ccccc1.CC4=O.C56=O |
1930119 | COc1ccccc1C(=O)N1CCCC2(CN(C(C)=O)CCO2)C1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][O][Ring1][=Branch2][C][Ring1][=C] | N13CCCC2(C1)CN4CCO2.c15ccccc16.C36=O.C4(C)=O.CO5 |
1930120 | Cc1ccc(-c2cn3c(n2)COC(CNC(=O)C2CC2)C3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][O][C][Branch1][N][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | c18cn2c(n1)COC7C2.Cc1ccc8cc1.C46=O.C16CC1.C57.N45 |
1930121 | COc1ccc(-c2cn3c(n2)COC(CNC(=O)C2CC2)C3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][O][C][Branch1][N][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | c19cn2c(n1)COC8C2.c15ccc9cc1.C47=O.C17CC1.CO5.C68.N46 |
1930122 | O=C(NCC1Cn2cc(-c3ccccc3)nc2CO1)C1CC1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][O][Ring1][#C][C][C][C][Ring1][Ring1] | C17Cn2cc8nc2CO1.c18ccccc1.O=C46.C16CC1.N45.C57 |
1930123 | CCCC(=O)N1C(C(=O)NCc2ccco2)COC12CCCCC2 | [C][C][C][C][=Branch1][C][=O][N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][O][C][Ring1][=C][C][C][C][C][C][Ring1][=Branch1] | N13C6COC12CCCCC2.CCCC3=O.c17ccco1.C46=O.N45.C57 |
1930124 | O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1CCCC1 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N][C][C][C][C][C][Ring1][Branch1] | c17ccc(Cl)cc1.c16nc7no1.C15CCCC1.O=C35.N34.C46 |
1930125 | O=C(NCc1ccco1)c1cc2cc(NC(=O)C3CC3)ccc2[nH]1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][N][NH1][Ring1][#C] | c18cc2cc7ccc2[nH]1.c1%10ccco1.O=C48.C59=O.C19CC1.N46.C6%10.N57 |
1930126 | CCn1c(C(N)=O)cc2cc(NC(=O)c3cccs3)ccc21 | [C][C][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][Ring2] | n18c6cc2cc5ccc21.c17cccs1.C6(N)=O.C47=O.CC8.N45 |
1930127 | COCCNC(=O)c1cc2cc(NC(=O)c3cccs3)ccc2[nH]1 | [C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][NH1][Ring1][P] | c19cc2cc8ccc2[nH]1.c1%10cccs1.C6C7.C49=O.C5%10=O.CO6.N47.N58 |
1930128 | CN1C(=O)NC(c2ccsc2)C2=C1CN(CC(=O)NC1CC1)C2=O | [C][N][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][=C][Ring1][N][C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring1][N][=O] | CN1C(=O)NC6C2=C1CN5C2=O.c16ccsc1.C5C3=O.C14CC1.N34 |
1930129 | COCC(=O)N1CC(C(=O)N2CCN(C)CC2)C(c2ccccc2)C1 | [C][O][C][C][=Branch1][C][=O][N][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2] | N13CC6C7C1.N14CCN(C)CC1.c17ccccc1.C5C3=O.C46=O.CO5 |
1930130 | CCCNC(=O)C(C1CCCC1)N1CCN(C(C)=O)CC1 | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2] | N15CCN3CC1.C2(=O)C56.C16CCCC1.CCC4.C3(C)=O.N24 |
1930131 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)C1=O)N1CCOCC1 | [O][=C][Branch2][Ring1][=C][C][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Ring1][#C][=O][N][C][C][O][C][C][Ring1][=Branch1] | C14CCN6C1=O.c16cccc5c1.N13CCOCC1.C5(F)(F)F.O=C34 |
1930132 | Cc1n[nH]c(C)c1NC(=O)Nc1cccc(Cl)c1Cl | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] | c15cccc(Cl)c1Cl.Cc1n[nH]c(C)c14.C23=O.N24.N35 |
1930133 | O=S(=O)(Nc1ccc2cc[nH]c2c1)c1ccccc1F | [O][=S][=Branch1][C][=O][Branch1][#C][N][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=S3(=O)c1ccccc1F.c14ccc2cc[nH]c2c1.N34 |
1930134 | O=S(=O)(Nc1ccc2cc[nH]c2c1)c1cccc(F)c1 | [O][=S][=Branch1][C][=O][Branch1][#C][N][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | O=S3(=O)c1cccc(F)c1.c14ccc2cc[nH]c2c1.N34 |
1930136 | Cc1ccccc1N1CCC(C(=O)NCc2ccco2)C1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][=C][=O] | Cc1ccccc17.N17CCC5C1=O.c16ccco1.C35=O.N34.C46 |
1930139 | Cn1c(-c2nonc2N)nnc1S(=O)(=O)Cc1ccccc1 | [C][N][C][Branch1][=Branch2][C][=N][O][N][=C][Ring1][Branch1][N][=N][N][=C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c4nnc1S(=O)(=O)C3.c14nonc1N.c13ccccc1 |
1930140 | COc1ccc(-c2noc(C(C)NC(=O)C3CCCC3)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][O][C][Branch1][P][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][C] | c15ccc%10cc16.c1%10noc9n1.C18CCCC1.C79C.C48=O.CO5.N47.O6C |
1930141 | O=C(Cc1ccc(F)cc1)NCCc1nc(-c2ccco2)no1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2] | c16ccc(F)cc1.c15nc7no1.c17ccco1.O=C3C6.C4C5.N34 |
1930142 | COc1cccc(C(=O)N2CCN(c3ccc(F)cc3)C(=O)C2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | N14CCN7C(=O)C1C.c15cccc6c1.c17ccc(F)cc1.C46=O.CO5 |
1930143 | Nc1cc(C(=O)N2CCOCC2)ccc1N1CCCCC1 | [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][Ring1][=Branch1] | Nc1cc5ccc14.N13CCOCC1.N14CCCCC1.C35=O |
1930144 | CC(C)C(=O)NC1C(c2ccccc2)CC(O)C1O | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][Ring1][N][O] | C14C5CC(O)C1O.c15ccccc1.CC(C)C3=O.N34 |
1930145 | COCC(=O)NC1C(c2ccccc2)CC(O)C1O | [C][O][C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][Ring1][N][O] | C15C6CC(O)C1O.c16ccccc1.C4C3=O.CO4.N35 |
1930146 | Cc1ccccc1C1CC(O)C(O)C1NC(=O)C(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | C14CC(O)C(O)C13.Cc1ccccc14.C2(=O)C(C)C.N23 |
1930147 | O=C(NC1C(c2cncnc2)CC(O)C1O)C1CCC1 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][Ring1][N][O][C][C][C][C][Ring1][Ring2] | C14C6CC(O)C1O.c16cncnc1.C15CCC1.O=C35.N34 |
1930148 | COc1ccccc1-c1cn2c(n1)COC(CNC(=O)C1CC1)C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][O][C][Branch1][N][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][=C] | c18cn2c(n1)COC7C2.c14ccccc18.C36=O.C16CC1.CO4.C57.N35 |
1930149 | O=C(NCC1Cn2c(-c3ccccc3)cnc2CO1)c1ccccc1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][Ring1][O][C][O][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C17Cn2c8cnc2CO1.c18ccccc1.c16ccccc1.O=C46.N45.C57 |
1930150 | COC1COCCN(Cc2ccc(OC(F)(F)F)cc2)C1 | [C][O][C][C][O][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][Ring2][Ring1][Ring1] | C13COCCN5C1.c16ccc4cc1.O4C(F)(F)F.CO3.C56 |
1930151 | Cc1cccc(OCC2(CNC(=O)C3CC3)CC(O)C(O)C2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][O][C][C][Branch1][N][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=C][=N][Ring2][Ring1][=Branch1] | C19%10CC(O)C(O)C1.Cc1cccc6n1.C48=O.C18CC1.O56.C59.C7%10.N47 |
1930152 | O=C(NCC1(COc2cnccn2)CC(O)C(O)C1)C1CCCC1 | [O][=C][Branch2][Ring1][N][N][C][C][Branch1][O][C][O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#C][C][C][C][C][C][Ring1][Branch1] | C189CC(O)C(O)C1.c15cnccn1.C17CCCC1.O=C37.N36.C68.C49.O45 |
1930153 | COCC1(CNC(=O)COc2ccccc2)CC(O)C(O)C1 | [C][O][C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][Ring1] | C189CC(O)C(O)C1.c16ccccc1.C3(=O)C5.CO4.C48.C79.N37.O56 |
1930154 | COCC1(CNC(=O)c2nc3ccccc3[nH]2)CC(O)C(O)C1 | [C][O][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][Ring2] | c17nc2ccccc2[nH]1.C189CC(O)C(O)C1.C47=O.CO5.C58.C69.N46 |
1930155 | O=C(c1ccncc1)N1CCN2C(=O)N(Cc3ccccc3)CC2C1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][Ring1][P] | N14CCN2C(=O)N6CC2C1.c15ccncc1.c17ccccc1.O=C45.C67 |
1930157 | Cc1cc(=O)n2nc(CC(=O)Nc3ncc(C)s3)nc2[nH]1 | [C][C][=C][C][=Branch1][C][=O][N][N][=C][Branch1][P][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][C][S][Ring1][=Branch1][N][=C][Ring1][#C][NH1][Ring2][Ring1][Ring2] | Cc1cc(=O)n2nc6nc2[nH]1.c15ncc(C)s1.C6C4=O.N45 |
1930158 | CC(C)(C)OC(=O)NC1CC2COCC(C1)C2=O | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][O][C][C][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][#Branch1][=O] | C16CC2COCC(C1)C2=O.CC5(C)C.C34=O.O35.N46 |
1930161 | Cn1c(=O)c2c(nc3n2CCN(c2ccc(Cl)cc2)C3)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch2][N][=C][N][Ring1][Branch1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | Cn1c(=O)c2c(nc3n2CCN4C3)n(C)c1=O.c14ccc(Cl)cc1 |
1930162 | O=C(NC1(C(=O)NC2CC2)CCCC1)c1ccco1 | [O][=C][Branch2][Ring1][Branch1][N][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][C][C][Ring1][O][C][=C][C][=C][O][Ring1][Branch1] | C158CCCC1.c17ccco1.O=C37.C48=O.C16CC1.N35.N46 |
1930163 | O=C(NC1(C(=O)N2CCCCC2)CCCC1)c1ccco1 | [O][=C][Branch2][Ring1][#Branch1][N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][Ring1][=N][C][=C][C][=C][O][Ring1][Branch1] | C157CCCC1.N14CCCCC1.c16ccco1.O=C36.C47=O.N35 |
1930164 | COC1=CC23CCN(C)C(Cc4ccc(OC)c(O)c42)C3=CC1 | [C][O][C][=C][C][C][C][N][Branch1][C][C][C][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][=Branch2][Ring1][S][C][Ring1][P][=C][C][Ring2][Ring1][Branch1] | COC1=CC23CCN(C)C(Cc4ccc5c(O)c42)C3=CC1.O5C |
1930165 | CC(C)CC(=O)Nc1nc(C(=O)N2CCCC2)cs1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][S][Ring1][N] | CC(C)CC3=O.c15nc6cs1.N14CCCC1.C46=O.N35 |
1930166 | CCc1ccc(OCC(=O)Nc2cnn(CC)c(=O)c2N(C)C)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][N][O][C][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2][N][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch1] | c16cnn8c(=O)c17.c19ccc5cc1.C4C3=O.N7(C)C.CC9.O45.N36.C8C |
1930167 | Cc1nc(OCCNC(=O)c2ccncc2)cc(N2CCOCC2)n1 | [C][C][=N][C][Branch1][P][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2] | Cc1nc5cc7n1.c18ccncc1.N17CCOCC1.C4C6.C38=O.O45.N36 |
1930168 | O=C(Cc1ccccc1)N1CC(c2nc(-c3ccco3)no2)C1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][Ring1][=C] | c15ccccc1.c17nc6no1.N14CC7C1.c16ccco1.O=C4C5 |
1930169 | COc1ccc(CC(=O)N2CC(c3nc(-c4ccco4)no3)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | c16ccc7cc1.c19nc8no1.N15CC9C1.c18ccco1.C7C5=O.CO6 |
1930170 | O=C(Cc1ccc(Cl)cc1)N1CC(c2nc(-c3ccco3)no2)C1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][Ring1][=C] | c15ccc(Cl)cc1.c17nc6no1.N14CC7C1.c16ccco1.O=C4C5 |
1930171 | Cc1cccc(CC(=O)N2CC(c3nc(-c4ccco4)no3)C2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][Ring1][=C][=C][Ring2][Ring1][#Branch1] | Cc1cccc6c1.c18nc7no1.N15CC8C1.c17ccco1.C6C5=O |
1930172 | CCC(C(=O)N1CC(c2nc(-c3ccco3)no2)C1)c1ccccc1 | [C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | CCC5C4=O.c17nc6no1.c15ccccc1.N14CC7C1.c16ccco1 |
1930173 | O=C(Cc1cccs1)N1CC(c2nc(-c3ccco3)no2)C1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][Ring1][=C] | c17nc6no1.c15cccs1.N14CC7C1.c16ccco1.O=C4C5 |
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