{"text_format":"2","workbook":"xls","n_sheets":23,"sheets":["rifampicin and NIAID (no shape)","Ethambutol and NIAID (shape)","ethambutol and NIAID (no shape)","Streptomycin and NIAID","rifampicin and GVKbio (no shape","ethambutol and GVKbio (shape)","ethambutol and GVKbio (no shape","streptomycin and GVKbio","ethambutol and MLSMR (shape)","ethambutol and MLSMR (no shape)","rifampicin and KEGG (no shape)","ethambutol and KEGG (shape)","ethambutol and KEGG (no shape)","streptomycinand KEGG","rifampicin & LipidMaps no shape","ethambutol & LipidMaps no shape","streptomycin & LipidMaps","Rifampicin & HMDB (no shape)","streptomycin & HMDB","rifampicin & Us drugs (no shape","ethambutol & US drugs (shape)","ethambutol & US drugs (no shape","streptomycin and US drugs"],"not_rendered":{"charts":0,"images":0,"macros":0,"external_links":0,"defined_names":0,"comments":0,"pivot_tables":0},"unopened":[],"bounds":{"document_bytes":16777216,"sheet_cells":100000,"run_cost":"one","rows_first":2000,"rows_last":500,"rows_between":2000,"halvings":0,"cell_chars":16384,"cell_head_chars":4096},"cells_cut":0,"cells_raw":0,"read":"whole","date_system":"1900","formulas":"cached_only"}

{"sheet":"rifampicin and NIAID (no shape)","index":0,"n_rows":4,"n_cols":8,"rows_kept":4,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Structure","Name","Index","FitValue","CDD Published Structure Registry Number","Molecule Name","SMILES","TB Prathiparti MIC A 2008-12-10: MIC (uM)"]
["O=C(N([H])[C@]2([H])C[C@]([H])([C@@]([H])(O[C@@]1([H])O[C@]([H])(C[N+]([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])[C@]2([H])O[C@@]3([H])O[C@]([H])(CO[H])[C@]([H])(O[H])[C@@]([H])([N+]([H])([H])[H])[C@]3([H])O[H])[N+]([H])([H])[H])[C@]([H])(CC[N+]([H])([H])[H])O[H]","Compound Number 60",1,0.838,"CDD-51465",7651,"[NH3+]CCC(O)C(=O)NC1CC([NH3+])C(OC2OC(C[NH3+])C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C([NH3+])C1O","0.132284\r\n.\r\n."]
["CC[C@@](C)([H])CCCCC(=O)N([H])[C@@]([H])(CC[N+]([H])([H])[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(CC[N+]([H])([H])[H])C(=O)N([H])[C@]1([H])CCN([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(CC[N+]([H])([H])[H])N([H])C(=O)[C@@]([H])(CC[N+]([H])([H])[H])N([H])C(=O)[C@]([H])(CC(C)(C)[H])N([H])C(=O)[C@]([H])(CC(C)(C)[H])N([H])C(=O)[C@@]([H])(CC[N+]([H])([H])[H])N([H])C1=O)[C@@](C)([H])O[H])[C@@](C)([H])O[H]","Compound Number 731",2,0.246,"CDD-52688",33059,"CCC(C)CCCCC(=O)NC(CC[NH3+])C(=O)NC(C(C)O)C(=O)NC(CC[NH3+])C(=O)NC1CCNC(=O)C(NC(=O)C(CC[NH3+])NC(=O)C(CC[NH3+])NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC[NH3+])NC1=O)C(C)O","4.25705\r\n.\r\n."]
["C[N+]([H])([H])[C@@]1([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(CO[H])O[C@]1([H])O[C@@]2([H])[C@@]([H])(O[C@@](C)([H])[C@]2(O[H])C=NN([H])C(=O)C3=CC=NC=C3)O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(N([H])C(N([H])[H])=[N+]([H])[H])[C@@]([H])(O[H])[C@@]4([H])N([H])C(N([H])[H])=[N+]([H])[H]","Compound Number 1050",3,1.104,"CDD-51573",58558,"C[NH2+]C1C(O)C(O)C(CO)OC1OC1C(OC(C)C1(O)\\C=N\\NC(=O)c1ccncc1)OC1C(O)C(O)C(NC(N)=[NH2+])C(O)C1NC(N)=[NH2+]","0.21315\r\n.\r\n."]

{"sheet":"Ethambutol and NIAID (shape)","index":1,"n_rows":2,"n_cols":10,"rows_kept":2,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Structure","Name","Index","FitValue","PercentFilled","ShapeSimilarity","CDD Published Structure Registry Number","Molecule Name","SMILES","TB Prathiparti MIC A 2008-12-10: MIC (uM)"]
["CC[C@@]([H])(CO[H])[N+]([H])([H])CC[N+]([H])([H])[C@]([H])(CC)CO[H]","Compound Number 63",1,4.802,85.036,0.754,"CDD-51901",7655,"CCC(CO)[NH2+]CC[NH2+]C(CC)CO","0.605826\r\n2.0\r\n."]

{"sheet":"ethambutol and NIAID (no shape)","index":2,"n_rows":20,"n_cols":8,"rows_kept":20,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Structure","Name","Index","FitValue","CDD Published Structure Registry Number","Molecule Name","SMILES","TB Prathiparti MIC A 2008-12-10: MIC (uM)"]
["[H]N([H])C(=[N+]([H])[H])C2=C/C=C(/OCCCCCO/C1=C/C=C(C=C1)C(N([H])[H])=[N+]([H])[H])C=C2","Compound Number 5",1,1.236,"CDD-52862",224,"NC(=[NH2+])c1ccc(OCCCCCOc2ccc(cc2)C(N)=[NH2+])cc1","5.84039\r\n.\r\n."]
["CC[C@@]([H])(CO[H])[N+]([H])([H])CC[N+]([H])([H])[C@]([H])(CC)CO[H]","Compound Number 63",2,4.853,"CDD-51901",7655,"CCC(CO)[NH2+]CC[NH2+]C(CC)CO","0.605826\r\n2.0\r\n."]
["CCN([H])C(=O)[C@@]([H])(N([H])C(=O)C/C1=C/C=CC=C1)[C@]4([H])[S]C(C)(C)[C@@]([H])(C(=O)N([H])CCN([H])C(=O)[C@]3([H])C(C)(C)[S][C@]([H])([C@]([H])(N([H])C(=O)C/C2=C/C=CC=C2)C(=O)N([H])CC)[N+]3([H])[H])[N+]4([H])[H]","Compound Number 1741",3,3.203,"CDD-52774",108409,"CCNC(=O)C(NC(=O)Cc1ccccc1)C1[NH2+]C(C(=O)NCCNC(=O)C2[NH2+]C(SC2(C)C)C(NC(=O)Cc2ccccc2)C(=O)NCC)C(C)(C)S1","5.09523\r\n.\r\n."]
["[H]N([H])C(=[N+]([H])[H])C4=C/C=C(/OCCCO/C1=C/C=CC(=C1)C3=CC2=CC(=CC=C2O3)C(N([H])[H])=[N+]([H])[H])C=C4","Compound Number 3473",4,2.715,"CDD-52099",337713,"NC(=[NH2+])c1ccc(OCCCOc2cccc(c2)-c2cc3cc(ccc3o2)C(N)=[NH2+])cc1","1.2311\r\n.\r\n."]
["[H]N([H])C(=[N+]([H])[H])C4=C/C=C(/OCCCCCO/C1=C/C=C(C=C1)C3=CC2=CC(=CC=C2O3)C(N([H])[H])=[N+]([H])[H])C=C4","Compound Number 3479",5,2.244,"CDD-52318",337731,"NC(=[NH2+])c1ccc(OCCCCCOc2ccc(cc2)-c2cc3cc(ccc3o2)C(N)=[NH2+])cc1","2.20254\r\n.\r\n."]
["[H]N([H])C(=[N+]([H])[H])C4=C/C=C(/OCCCO/C1=C/C=CC(=C1)C3=CC2=CC=C(C=C2O3)C(N([H])[H])=[N+]([H])[H])C=C4","Compound Number 3482",6,2.682,"CDD-52351",337737,"NC(=[NH2+])c1ccc(OCCCOc2cccc(c2)-c2cc3ccc(cc3o2)C(N)=[NH2+])cc1","2.36929\r\n.\r\n."]
["[H]N([H])C(=[N+]([H])[H])C4=C/C=C(/OCCCCO/C1=C/C=C(C=C1)C3=CC2=CC=C(C=C2O3)C(N([H])[H])=[N+]([H])[H])C=C4","Compound Number 3486",7,2.667,"CDD-52029",337752,"NC(=[NH2+])c1ccc(OCCCCOc2ccc(cc2)-c2cc3ccc(cc3o2)C(N)=[NH2+])cc1","1.01229\r\n.\r\n."]
["CC(C)([H])N([H])C(/C4=C/C=C(/OCCCCCCO/C1=C/C=C(C=C1)C3=CC2=CC=C(C=C2O3)C(=[N+]([H])[H])N([H])C(C)(C)[H])C=C4)=[N+]([H])[H]","Compound Number 3488",8,0.738,"CDD-52601",337759,"CC(C)NC(=[NH2+])c1ccc(OCCCCCCOc2ccc(cc2)-c2cc3ccc(cc3o2)C(=[NH2+])NC(C)C)cc1","3.78984\r\n.\r\n."]
["[H]ON([H])C(/C4=C/C=C(/OCCCO/C1=C/C=C(C=C1)C3=CC2=CC(=CC=C2O3)C(=[N+]([H])[H])N([H])O[H])C=C4)=[N+]([H])[H]","Compound Number 3490",9,1.169,"CDD-52154",337792,"ONC(=[NH2+])c1ccc(OCCCOc2ccc(cc2)-c2cc3cc(ccc3o2)C(=[NH2+])NO)cc1","1.40539\r\n.\r\n."]
["CCCCCCCCCC[N+]([H])([H])C[C@@]2([H])O[C@@]([H])(O[C@]1([H])O[C@@]([H])(C[N+]([H])([H])CCCCCCCCC)[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]2([H])O[H]","Compound Number 3506",10,2.011,"CDD-52299",339897,"CCCCCCCCCC[NH2+]CC1OC(OC2OC(C[NH2+]CCCCCCCCC)C(O)C(O)C2O)C(O)C(O)C1O","2.13514\r\n.\r\n."]
["CC(C)([H])N([H])C(/C2=C/C=C1OC(=CC1=C2)CC/C4=C/C3=CC(=CC=C3O4)C(=[N+]([H])[H])N([H])C(C)(C)[H])=[N+]([H])[H]","Compound Number 3631",11,0.291,"CDD-53536",344331,"CC(C)NC(=[NH2+])c1ccc2oc(CCc3cc4cc(ccc4o3)C(=[NH2+])NC(C)C)cc2c1","13.6626\r\n.\r\n."]
["[H]N([H])C(=[N+]([H])[H])C4=CC=C3/C=C(/CC/C2=C/C1=CC=C(C=C1O2)C(N([H])[H])=[N+]([H])[H])OC3=C4","Compound Number 3632",12,2.175,"CDD-53131",344333,"NC(=[NH2+])c1ccc2cc(CCc3cc4ccc(cc4o3)C(N)=[NH2+])oc2c1","8.78286\r\n.\r\n."]
["[H]N([H])C(=[N+]([H])[H])C4=CC=C3OC(CCC/C2=C/C1=CC(=CC=C1O2)C(N([H])[H])=[N+]([H])[H])=CC3=C4","Compound Number 3634",13,1.622,"CDD-52804",344339,"NC(=[NH2+])c1ccc2oc(CCCc3cc4cc(ccc4o3)C(N)=[NH2+])cc2c1","5.32512\r\n.\r\n."]
["CC(C)([H])N([H])C(/C2=C/C=C1OC(=CC1=C2)CCC/C4=C/C3=CC(=CC=C3O4)C(=[N+]([H])[H])N([H])C(C)(C)[H])=[N+]([H])[H]","Compound Number 3635",14,0.716,"CDD-52321",344340,"CC(C)NC(=[NH2+])c1ccc2oc(CCCc3cc4cc(ccc4o3)C(=[NH2+])NC(C)C)cc2c1","2.23916\r\n.\r\n."]
["[H]N([H])C(=[N+]([H])[H])C4=CC=C3/C=C(/CCCCC/C2=C/C1=CC=C(C=C1O2)C(N([H])[H])=[N+]([H])[H])OC3=C4","Compound Number 3636",15,2.65,"CDD-52270",344344,"NC(=[NH2+])c1ccc2cc(CCCCCc3cc4ccc(cc4o3)C(N)=[NH2+])oc2c1","2.02312\r\n.\r\n."]
["[H]N([H])C(=[N+]([H])[H])C4=CC=C3OC(CCCC/C2=C/C1=CC(=CC=C1O2)C(N([H])[H])=[N+]([H])[H])=CC3=C4","Compound Number 3638",16,2.433,"CDD-53858",344357,"NC(=[NH2+])c1ccc2oc(CCCCc3cc4cc(ccc4o3)C(N)=[NH2+])cc2c1","18.4083\r\n.\r\n."]
["CC(C)([H])N([H])C(/C2=C/C=C1OC(=CC1=C2)CCCC/C4=C/C3=CC(=CC=C3O4)C(=[N+]([H])[H])N([H])C(C)(C)[H])=[N+]([H])[H]","Compound Number 3639",17,1.541,"CDD-51482",344358,"CC(C)NC(=[NH2+])c1ccc2oc(CCCCc3cc4cc(ccc4o3)C(=[NH2+])NC(C)C)cc2c1","0.151968\r\n.\r\n."]
["[H]N([H])C(=[N+]([H])[H])C4=CC=C3OC(CCCCC/C2=C/C1=CC(=CC=C1O2)C(N([H])[H])=[N+]([H])[H])=CC3=C4","Compound Number 3641",18,1.175,"CDD-51520",344362,"NC(=[NH2+])c1ccc2oc(CCCCCc3cc4cc(ccc4o3)C(N)=[NH2+])cc2c1","0.179263\r\n.\r\n."]
["CC(C)([H])N([H])C(/C2=C/C=C1OC(=CC1=C2)CCCCC/C4=C/C3=CC(=CC=C3O4)C(=[N+]([H])[H])N([H])C(C)(C)[H])=[N+]([H])[H]","Compound Number 3642",19,1.042,"CDD-51507",344363,"CC(C)NC(=[NH2+])c1ccc2oc(CCCCCc3cc4cc(ccc4o3)C(=[NH2+])NC(C)C)cc2c1","0.168546\r\n.\r\n."]

{"sheet":"Streptomycin and NIAID","index":3,"n_rows":11,"n_cols":10,"rows_kept":11,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Structure","Name","Index","FitValue","PercentFilled","ShapeSimilarity","CDD Published Structure Registry Number","Molecule Name","SMILES","TB Prathiparti MIC A 2008-12-10: MIC (uM)"]
["C[C@]1([H])[C@@]([H])(O[H])CC[C@]2(C)[C@]1([H])CC[C@]4(C)[C@@]2([H])[C@@]([H])(O[H])C[C@@]3([H])C(=C(CC/C=C(\\C)C)C(=O)[O-])[C@@]([H])(C[C@]34C)OC(C)=O","Compound Number 4",1,0.507,73.205,0.549,"CDD-52622",132,"CC1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2\\C(C(CC12C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O","3.87814\r\n.\r\n."]
["[H][N+]([H])([H])C[C@@]4([H])O[C@]([H])(O[C@@]3([H])[C@@]([H])(CO[H])O[C@]([H])(O[C@@]1([H])[C@@]([H])(O[H])[C@@]([H])(C[C@@]([H])([N+]([H])([H])[H])[C@@]1([H])O[C@@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])[N+]([H])([H])[H])[N+]([H])([H])[H])[C@]3([H])O[H])[C@]([H])([N+]([H])([H])[H])[C@@]([H])(O[H])[C@]4([H])O[H]","Compound Number 31",2,2.14,71.979,0.54,"CDD-48108",5084,"[NH3+]CC1OC(OC2C(CO)OC(OC3C(O)C([NH3+])CC([NH3+])C3OC3OC(CO)C(O)C(O)C3[NH3+])C2O)C([NH3+])C(O)C1O","0.145004\r\n.\r\n."]
["[H][N+]([H])([H])C[C@@]3([H])O[C@@]([H])(O[C@]2([H])[C@]([H])(C[C@]([H])([N+]([H])([H])[H])[C@]([H])(O[C@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@@]([H])([N+]([H])([H])[H])[C@]1([H])O[H])[C@]2([H])O[H])[N+]([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H]","Compound Number 32",3,1.379,65.674,0.564,"CDD-52118",5086,"[NH3+]CC1OC(OC2C([NH3+])CC([NH3+])C(OC3OC(CO)C(O)C([NH3+])C3O)C2O)C(O)C(O)C1O","1.28957\r\n.\r\n."]
["[O-]C(=O)C2=CN(C1=C/C(=C(/[F])C=C1C2=O)N5CC[N+]([H])(CN4C(=O)C(=O)C3=CC=CC=C34)CC5)C6([H])CC6","Compound Number 1095",4,1.552,65.849,0.536,"CDD-51020",62144,"[O-]C(=O)c1cn(C2CC2)c2cc(N3CC[NH+](CC3)CN3C(=O)C(=O)c4ccccc34)c(F)cc2c1=O","0.00159\r\n.\r\n."]
["[O-]C(=O)C2=CN(C1=C/C(=C(/[F])C=C1C2=O)N5CC[N+]([H])(CN4C(=O)C(=O)C3=CC([Cl])=CC=C34)CC5)C6([H])CC6","Compound Number 2202",5,1.599,68.301,0.548,"CDD-51047",118657,"[O-]C(=O)c1cn(C2CC2)c2cc(N3CC[NH+](CC3)CN3C(=O)C(=O)c4cc(Cl)ccc34)c(F)cc2c1=O","0.00297\r\n.\r\n."]
["[S]=C(N([H])[H])N([H])N=C6C(=O)N(C[N+]1([H])CCN(CC1)C2=CC3=C(/C=C2/[F])C(=O)C(=CN3C4([H])CC4)C(=O)[O-])C5=C/C=C(/[Br])C=C56","Compound Number 2207",6,2.236,73.905,0.56,"CDD-51023",118662,"NC(=S)N\\N=C1\\C(=O)N(C[NH+]2CCN(CC2)c2cc3n(cc(C([O-])=O)c(=O)c3cc2F)C2CC2)c2ccc(Br)cc12","0.00188\r\n.\r\n."]
["O=C(N([H])[H])N([H])N=C6C(=O)N(C[N+]1([H])CCN(CC1)C2=CC3=C(/C=C2/[F])C(=O)C(=CN3C4([H])CC4)C(=O)[O-])C5=CC=CC=C56","Compound Number 2210",7,1.16,67.426,0.513,"CDD-51042",118665,"NC(=O)N\\N=C1\\C(=O)N(C[NH+]2CCN(CC2)c2cc3n(cc(C([O-])=O)c(=O)c3cc2F)C2CC2)c2ccccc12","0.00285\r\n.\r\n."]
["[S]=C(N([H])[H])N([H])N=C6C(=O)N(C[N+]1([H])CCN(CC1)C2=CC3=C(/C=C2/[F])C(=O)C(=CN3C4([H])CC4)C(=O)[O-])C5=CC=CC=C56","Compound Number 2211",8,2.127,71.629,0.558,"CDD-51012",118666,"NC(=S)N\\N=C1\\C(=O)N(C[NH+]2CCN(CC2)c2cc3n(cc(C([O-])=O)c(=O)c3cc2F)C2CC2)c2ccccc12","0.00138\r\n.\r\n."]
["CO/C2=C/C=C(/C/C1=C/N=C(/N=C1/N([H])[H])N([H])[H])C=C2OCCN(/C3=C/CC(C=C3)=[S](=O)=O)C4=CC=C(C=C4)[N+]([O-])=O","Compound Number 3207",9,1.886,71.279,0.556,"CDD-53503",231639,"COc1ccc(Cc2cnc(N)nc2N)cc1OCCN(C1=CCC(C=C1)=S(=O)=O)c1ccc(cc1)[N+]([O-])=O","13.2584\r\n.\r\n."]
["CO/C2=C/C=C(/C/C1=C/N=C(/N=C1/N([H])[H])N([H])[H])C=C2OCCCN(/C3=C/CC(C=C3)=[S](=O)=O)C4=CC=C(C=C4)N([H])[H]","Compound Number 3210",10,2.087,70.753,0.548,"CDD-52292",231646,"COc1ccc(Cc2cnc(N)nc2N)cc1OCCCN(C1=CCC(C=C1)=S(=O)=O)c1ccc(N)cc1","2.1\r\n.\r\n."]

{"sheet":"rifampicin and GVKbio (no shape","index":4,"n_rows":2,"n_cols":8,"rows_kept":2,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Structure","Name","Index","FitValue","CDD Published Structure Registry Number","Molecule Name","SMILES","TB Prathiparti MIC B 2008-12-10: MIC (uM)"]
["C[N+]([H])([H])[C@@]2([H])[C@]([H])(O[H])[C@]([H])(O[C@]1([H])O[C@@]([H])(CO[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(CO[H])O[C@@]2([H])O[C@]3([H])[C@]([H])(O[C@](C)([H])[C@@]3(O[H])C=O)O[C@@]4([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(N([H])C(N([H])[H])=[N+]([H])[H])[C@@]([H])(O[H])[C@@]4([H])N([H])C(N([H])[H])=[N+]([H])[H]","Compound Number 1462",1,2.54,"CDD-48357",227382,"C[NH2+]C1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OC1C(OC(C)C1(O)C=O)OC1C(O)C(O)C(NC(N)=[NH2+])C(O)C1NC(N)=[NH2+]",1.049]

{"sheet":"ethambutol and GVKbio (shape)","index":5,"n_rows":2,"n_cols":10,"rows_kept":2,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
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["[H]O/C1=C/C=C/C=C1/C[N+]([H])([H])CCC[N+]([H])([H])C/C2=C/C=C/C=C2/O[H]","Compound Number 2125",1,3.982,78.467,0.566,"CDD-50396",419076,"Oc1ccccc1C[NH2+]CCC[NH2+]Cc1ccccc1O",87.3]

{"sheet":"ethambutol and GVKbio (no shape","index":6,"n_rows":9,"n_cols":8,"rows_kept":9,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
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["[H]O/C1=C/C=C/C=C1/C[N+]([H])([H])CCCCCCC[N+]([H])([H])C/C2=C/C=C/C=C2/O[H]","Compound Number 443",1,0.099,"CDD-50319",40584,"Oc1ccccc1C[NH2+]CCCCCCC[NH2+]Cc1ccccc1O",72.997]
["[H]O/C1=C/C=C/C=C1/C[N+]([H])([H])CCCCC[N+]([H])([H])C/C2=C/C=C/C=C2/O[H]","Compound Number 968",2,2.361,"CDD-50363",176018,"Oc1ccccc1C[NH2+]CCCCC[NH2+]Cc1ccccc1O",79.511]
["CC1(C)C[C@@]3([H])[C@@]([H])(C1)[C@@]2([H])OC(C)(C)O[C@@]2([H])O[C@]3([H])[C@]([H])(CCO[H])[N+]([H])([H])CCCC[N+]([H])([H])[C@]([H])(CCO[H])[C@@]6([H])O[C@@]4([H])OC(C)(C)O[C@@]4([H])[C@@]5([H])OC(C)(C)O[C@@]56[H]","Compound Number 1077",3,1.568,"CDD-49192",188374,"CC1(C)CC2C(C1)C1OC(C)(C)OC1OC2C(CCO)[NH2+]CCCC[NH2+]C(CCO)C1OC2OC(C)(C)OC2C2OC(C)(C)OC12",19.03]
["[H][N+]=2C1=CC=CC=C1C(=C3CCCCC=23)N([H])CCCCCCCN([H])C6=C4CCCC/C4=[N+](\\[H])C5=CC=CC=C56","Compound Number 1682",4,1.137,"CDD-49505",237966,"C(CCCNc1c2CCCCc2[nH+]c2ccccc12)CCCNc1c2CCCCc2[nH+]c2ccccc12",25.37]
["[H][N+]=2C1=CC=CC=C1C(=C3CCCCC=23)N([H])CCCCCCCCCCN([H])C6=C4CCCC/C4=[N+](\\[H])C5=CC=CC=C56","Compound Number 2079",5,1.283,"CDD-49421",399730,"C(CCCCCNc1c2CCCCc2[nH+]c2ccccc12)CCCCNc1c2CCCCc2[nH+]c2ccccc12",23.374]
["[H]O/C1=C/C=C/C=C1/C[N+]([H])([H])CCC[N+]([H])([H])C/C2=C/C=C/C=C2/O[H]","Compound Number 2125",6,4.192,"CDD-50396",419076,"Oc1ccccc1C[NH2+]CCC[NH2+]Cc1ccccc1O",87.3]
["CC[C@@]([H])(CO[H])[N@+]1([H])CC[N@@+]([H])([C@@]1([H])O[S](=O)(=O)C2=C/C=C(/C)C=C2)[C@@]([H])(CC)CO[H]","Compound Number 2198",7,4.1,"CDD-49066",429872,"CCC(CO)[NH+]1CC[NH+](C(CC)CO)C1OS(=O)(=O)c1ccc(C)cc1",16.17]
["[H]O/C2=C/C=CC(C[N+]([H])([H])CCCCC[N+]([H])([H])CC=1C=C/C=C(/O[H])C=1)=C2","Compound Number 2347",8,2.261,"CDD-49237",450128,"Oc1cccc(C[NH2+]CCCCC[NH2+]Cc2cccc(O)c2)c1",19.878]

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["[Cl]/C5=C/C=CC(/C=N/N(CC(=O)N3CC[N+]([H])(C/C2=C/C=C1OCOC1=C2)CC3)C(=O)C4=CC=NC=C4)=C5","Compound Number 574",2,0.436,69.527,0.554,"CDD-48732",68312,"Clc1cccc(\\C=N\\N(CC(=O)N2CC[NH+](CC2)Cc2ccc3OCOc3c2)C(=O)c2ccncc2)c1",10.257]
["CO/C1=C/C(=C(/C)C=C1OCC(=O)[O-])C4=NN(C(=O)C2=CC=C(C=C2)[N+]([O-])=O)[C@]3([H])CCC[C@@]34[H]","Compound Number 643",3,0.345,62.872,0.522,"CDD-48934",87528,"COc1cc(c(C)cc1OCC([O-])=O)C1=NN(C2CCCC12)C(=O)c1ccc(cc1)[N+]([O-])=O",13.784]
["[O-][N+](=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CN(/N=C/C3=C/C=C(/[Cl])C=C3[Cl])C(=O)C4=CC=NC=C4","Compound Number 675",4,1.888,67.25,0.516,"CDD-49612",93340,"[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN(\\N=C\\c1ccc(Cl)cc1Cl)C(=O)c1ccncc1",29.554]

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{"sheet":"rifampicin and KEGG (no shape)","index":10,"n_rows":62,"n_cols":13,"rows_kept":62,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Structure","Name","Index","FitValue","Pathway","Pathway ID"," Synonyms","Pathway","Pathway ID","Synonyms","CDD Published Structure Registry Number","Molecule Name","SMILES"]
["C/C6=C/C=5N=C1C(=NC(=O)N([H])C1=O)N(C[C@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])CO[P@](=O)(O[P@@](=O)(OC[C@@]4([H])O[C@@]([H])(N3C=NC2=C(N=CN=C23)N([H])[H])[C@]([H])(O[H])[C@]4([H])O[H])O[H])O[H])C=5/C=C6/C","Compound Number 16",1,2.396,"Riboflavin metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00740\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","FAD\r\nFlavin adenine dinucleotide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Riboflavin metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00740\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","FAD\r\nFlavin adenine dinucleotide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00016","Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C"]
["O=C2C=1N=CN(C=1/N=C(/N([H])[H])N2[H])[C@]4([H])O[C@]([H])(CO[P@](=O)(O[P@@](=O)(O[C@@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H])[C@@]([H])(O[H])[C@@]4([H])O[H]","Compound Number 87",2,0.711,"Fructose and mannose metabolism\r\nAscorbate and aldarate metabolism\r\nN-Glycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00051\r\nmap00053\r\nmap00510\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-mannose\r\nGDP-D-mannose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Fructose and mannose metabolism\r\nAscorbate and aldarate metabolism\r\nN-Glycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00051\r\nmap00053\r\nmap00510\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-mannose\r\nGDP-D-mannose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00096","Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O"]
["C[C@]4([H])O[C@@]([H])(O[P@@](=O)(O[P@@](=O)(OC[C@@]3([H])O[C@@]([H])(N1C=NC2=C1N=C(N([H])C2=O)N([H])[H])[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[H]","Compound Number 293",3,0.259,"Fructose and mannose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-L-fucose\r\nGDP-beta-L-fucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Fructose and mannose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-L-fucose\r\nGDP-beta-L-fucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00325","C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H](O)[C@@H]1O"]
["O=C2C=1N=CN(C=1/N=C(/N([H])[H])N2[H])[C@]4([H])O[C@]([H])(CO[P@@](=O)(O[P@](=O)(O[C@@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])O[H])O[H])[C@@]([H])(O[H])[C@@]4([H])O[H]","Compound Number 349",4,0.26,"Starch and sucrose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00500\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-glucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Starch and sucrose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00500\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-glucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00394","Nc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O"]
["CCN([H])[C@@]2([H])[C@]([H])(O[H])O[C@]([H])(CO[H])[C@@]([H])(O[C@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])N([H])C(C)=O)[C@]2([H])O[C@](C)([H])C(=O)N([H])[C@](C)([H])C(=O)N([H])[C@]([H])(CCC(=O)N([H])[C@@]([H])(CCCCN([H])[H])C(=O)N([H])[C@@](C)([H])C(=O)O[H])C(=O)N([H])[H]","Compound Number 456",5,0.469,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Glycopeptide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00528","CCN[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(O)=O)C(N)=O"]
["O=[P@](OC[C@@]2([H])O[C@@]([H])(N1C=CC(=NC1=O)N([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])(O[P@](=O)(OC[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])CO[H])O[H])O[H]","Compound Number 655",6,1.793,"Pentose and glucuronate interconversions\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00040\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDP-ribitol\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Pentose and glucuronate interconversions\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00040\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDP-ribitol\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00789","Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OCC(O)C(O)C(O)CO)[C@@H](O)[C@H]2O)c(=O)n1"]
["[H]N([H])C[C@]4([H])O[C@]([H])(O[C@]3([H])[C@@]([H])(CO[H])O[C@@]([H])(O[C@]1([H])[C@@]([H])(O[H])[C@@]([H])(C[C@]([H])(N([H])[H])[C@@]1([H])O[C@@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])N([H])[H])N([H])[H])[C@]3([H])O[H])[C@]([H])(N([H])[H])[C@@]([H])(O[H])[C@]4([H])O[H]","Compound Number 688",7,0.177,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Paromomycin\r\nAminosidin\r\nCatenulin\r\nHydroxymycin\r\nMonomycin A\r\nZygomycin A1\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-758","C00832","NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O"]
["O=[P@](OC[C@@]3([H])O[C@@]([H])(N1C=NC=2C(=NC=NC1=2)N([H])[H])[C@]([H])(O[H])[C@]3([H])O[H])(O[P@](=O)(OC[C@@]5([H])O[C@@]([H])([N+]4=CC=CC(=C4)C(=O)O[H])[C@]([H])(O[H])[C@]5([H])O[H])O[H])O[H]","Compound Number 705",8,0.502,"Nicotinate and nicotinamide metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00760\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Deamino-NAD+\r\nDeamido-NAD+\r\nDeamido-NAD\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Nicotinate and nicotinamide metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00760\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Deamino-NAD+\r\nDeamido-NAD+\r\nDeamido-NAD\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00857","Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(O)=O)[C@@H](O)[C@H]1O"]
["CC(C)(CO[P@](=O)(O[P@](=O)(OC[C@@]3([H])O[C@@]([H])(N2C=NC1=C(N=CN=C12)N([H])[H])[C@]([H])(O[H])[C@]3([H])O[P](=O)(O[H])O[H])O[H])O[H])[C@]([H])(O[H])C(=O)N([H])CCC(=O)N([H])CC[S][S]C[C@@]([H])(C(=O)N([H])CC(=O)O[H])N([H])C(=O)CC[C@]([H])(N([H])[H])C(=O)O[H]","Compound Number 754",9,1.133,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CoA-glutathione\r\nCoenzyme A-glutathione mixed disulfide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00920","CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O"]
["O=C2C=1N=CN(C=1/N=C(/N([H])[H])N2[H])[C@]4([H])O[C@]([H])(CO[P@](=O)(O[P@@](=O)(O[C@@]3([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H])[C@@]([H])(O[H])[C@@]4([H])O[H]","Compound Number 797",10,1.118,"Fructose and mannose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-D-mannuronate\r\nGDP-D-mannuronic acid\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Fructose and mannose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-D-mannuronate\r\nGDP-D-mannuronic acid\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00976","Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)C(O)=O)[C@@H](O)[C@H]1O"]
["O=[P@@](OC[C@@]1([H])O[C@@]([H])(N([H])C(=N[H])N([H])CCC[C@]([H])(N([H])[H])C(=O)O[H])[C@]([H])(O[H])[C@]1([H])O[H])(O[P@@](=O)(OC[C@@]4([H])O[C@@]([H])(N3C=NC2=C(N=CN=C23)N([H])[H])[C@]([H])(O[H])[C@]4([H])O[H])O[H])O[H]","Compound Number 967",11,1.499,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","N(omega)-(ADP-D-ribosyl)-L-arginine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C01201","N[C@@H](CCCNC(=N)N[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O)C(O)=O"]
["C[C@@]4([H])O[C@]([H])(O[P@@](=O)(O[P@@](=O)(OC[C@@]3([H])O[C@@]([H])(N1C=NC2=C1N=C(N([H])C2=O)N([H])[H])[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])C4=O","Compound Number 984",12,0.197,"Fructose and mannose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-4-dehydro-6-deoxy-D-mannose\r\nGDP-4-dehydro-6-deoxy-D-talose\r\nGDP-4-oxo-6-deoxy-D-mannose\r\nGDP-4-dehydro-D-rhamnose\r\nGDP-4-keto-6-deoxy-D-mannose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Fructose and mannose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-4-dehydro-6-deoxy-D-mannose\r\nGDP-4-dehydro-6-deoxy-D-talose\r\nGDP-4-oxo-6-deoxy-D-mannose\r\nGDP-4-dehydro-D-rhamnose\r\nGDP-4-keto-6-deoxy-D-mannose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C01222","C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@@H](O)C1=O"]
["O=C2C=1N=CN(C=1/N=C(/N([H])[H])N2[H])[C@]6([H])O[C@]([H])(CO[P@](=O)(O[P@@](=O)(O[P@](=O)(O[P@@](=O)(OC[C@@]5([H])O[C@@]([H])(N3C=NC4=C3N=C(N([H])C4=O)N([H])[H])[C@]([H])(O[H])[C@]5([H])O[H])O[H])O[H])O[H])O[H])[C@@]([H])(O[H])[C@@]6([H])O[H]","Compound Number 1012",13,1.122,"Purine metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00230\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","P1,P4-Bis(5'-guanosyl) tetraphosphate\r\nGppppG\r\nBis(5'-guanosyl) tetraphosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Purine metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00230\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","P1,P4-Bis(5'-guanosyl) tetraphosphate\r\nGppppG\r\nBis(5'-guanosyl) tetraphosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C01261","Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H]1O"]
["CN([H])[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(CO[H])O[C@@]1([H])O[C@@]2([H])[C@@]([H])(O[C@](C)([H])[C@]2(O[H])CO[P](=O)(O[H])O[H])O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[P](=O)(O[H])O[H])[C@]([H])(N([H])C(=N[H])N([H])[H])[C@@]([H])(O[H])[C@]3([H])N([H])C(=N[H])N([H])[H]","Compound Number 1030",14,0.037,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Dihydrostreptomycin 3'alpha,6-bisphosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C01280","CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)COP(O)(O)=O)O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N"]
["[H]N([H])C[C@@]4([H])O[C@]([H])(O[C@]1([H])[C@]([H])(C[C@@]([H])(N([H])[H])[C@]([H])(O[H])[C@@]1([H])O[C@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[C@@]2([H])O[C@@]([H])(CN([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])N([H])[H])[C@@]3([H])O[H])N([H])[H])[C@]([H])(N([H])[H])[C@@]([H])(O[H])[C@]4([H])O[H]","Compound Number 1307",15,0.643,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Neomycin B\r\nFradiomycin B\r\nStreptothricin B\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-45839","C01737","NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O"]
["O=C2C=1N=CN(C=1/N=C(/N([H])[H])N2[H])[C@]4([H])O[C@]([H])(CO[P@](=O)(O[P@@](=O)(O[C@@]3([H])O[C@@]([H])(CO[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H])O[H])O[H])[C@@]([H])(O[H])[C@@]4([H])O[H]","Compound Number 1682",16,0.053,"Ascorbate and aldarate metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00053\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-L-galactose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Ascorbate and aldarate metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00053\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-L-galactose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C02280","Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H]1O"]
["CC(C)(CO[P@](=O)(O[P@@](=O)(OC[C@@]3([H])O[C@@]([H])(N2C=NC1=C(N=CN=C12)N([H])[H])[C@]([H])(O[H])[C@]3([H])O[P](=O)(O[H])O[H])O[H])O[H])[C@]([H])(O[H])C(=O)N([H])CCC(=O)N([H])CC[S]C(=O)CCN([H])[H]","Compound Number 1718",17,0.243,"beta-Alanine metabolism\r\nPropanoate metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00410\r\nmap00640\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","beta-Alanyl-CoA\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","beta-Alanine metabolism\r\nPropanoate metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00410\r\nmap00640\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","beta-Alanyl-CoA\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C02335","CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSC(=O)CCN"]
["O=C1N([H])[C@]([H])(C(=O)N([H])C[C@@]([H])(C(=O)N([H])[C@@]([H])(CO[P](=O)(O[H])O[H])C(=O)N([H])[C@@]([H])(CO[H])C(=O)N([H])C1=CN([H])C(=O)N([H])[H])N([H])C(=O)C[C@]([H])(CCCN([H])[H])N([H])[H])[C@@]2([H])C[C@]([H])(O[H])N([H])C(=N[H])N2[H]","Compound Number 1871",18,1.382,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","O-Phosphoviomycin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C02574","[H][C@@]1(C[C@H](O)NC(=N)N1)[C@]1([H])NC(=O)\\C(NC(=O)[C@H](CO)NC(=O)[C@H](COP(O)(O)=O)NC(=O)[C@H](CNC1=O)NC(=O)C[C@@H](N)CCCN)=C\\NC(N)=O"]
["CN([H])[C@]3([H])[C@]([H])(O[C@@]1([H])[C@@]([H])(O[C@](C)([H])[C@]1(O[H])C=O)O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(N([H])C(=N[H])N([H])[H])[C@@]([H])(O[H])[C@]2([H])N([H])C(=N[H])N([H])[H])O[C@@]([H])(CO[H])[C@]([H])(O[H])[C@@]3([H])O[P@@](=O)(OC[C@@]6([H])O[C@@]([H])(N5C=NC4=C(N=CN=C45)N([H])[H])[C@]([H])(O[H])[C@]6([H])O[H])O[H]","Compound Number 2465",19,1.764,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","3''-Adenylylstreptomycin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C03462","CN[C@@H]1[C@@H](O[C@@H](CO)[C@H](O)[C@H]1OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N"]
["CN([H])[C@]3([H])[C@]([H])(O[C@@]1([H])[C@@]([H])(O[C@](C)([H])[C@]1(O[H])C=O)O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(N([H])C(=N[H])N([H])[H])[C@@]([H])(O[H])[C@]2([H])N([H])C(=N[H])N([H])[H])O[C@@]([H])(CO[H])[C@]([H])(O[H])[C@@]3([H])O[P](=O)(O[H])O[H]","Compound Number 2642",20,0.016,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Streptomycin 3''-phosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C03731","CN[C@@H]1[C@@H](O[C@@H](CO)[C@H](O)[C@H]1OP(O)(O)=O)O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N"]
["O=[P@@](OC[C@@]2([H])O[C@@]([H])(N1C=CC(=NC1=O)N([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])(OC[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])CC(=O)C(=O)O[H])O[H]","Compound Number 2892",21,0.806,"Lipopolysaccharide biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00540\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CMP-3-deoxy-D-manno-octulosonate\r\nCMP-KDO\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Lipopolysaccharide biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00540\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CMP-3-deoxy-D-manno-octulosonate\r\nCMP-KDO\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04121","Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OCC(O)C(O)C(O)C(O)CC(=O)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1"]
["C[C@]4([H])N([H])C=1N=C(N([H])C(=O)C=1N5CN(/C3=C/C=C(/C[C@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])CO[C@@]2([H])O[C@]([H])(CO[P@@](=O)(O[C@@]([H])(CCC(=O)O[H])C(=O)O[H])O[H])[C@@]([H])(O[H])[C@@]2([H])O[H])C=C3)[C@@](C)([H])[C@@]45[H])N([H])[H]","Compound Number 3064",22,0.866,"Methane metabolism\r\nFolate biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00680\r\nmap00790\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","5,10-Methylenetetrahydromethanopterin\r\nN5,N10-Methylenetetrahydromethanopterin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Methane metabolism\r\nFolate biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00680\r\nmap00790\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","5,10-Methylenetetrahydromethanopterin\r\nN5,N10-Methylenetetrahydromethanopterin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04377","[H][C@]12[C@H](C)Nc3nc(N)[nH]c(=O)c3N1CN([C@@H]2C)c1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(O)(=O)O[C@@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)cc1"]
["O=C(N([H])[H])C1=CC=C[N+](=C1)[C@]5([H])O[C@]([H])(CO[P@](=O)(O[P@](=O)(OC[C@@]4([H])O[C@@]([H])(N2C=NC3=C2N=CN([H])C3=O)[C@]([H])(O[H])[C@]4([H])O[H])O[H])O[H])[C@@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 3091",23,0.214,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Nicotinamide hypoxanthine dinucleotide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04423","NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc[nH]c3=O)[C@@H](O)[C@H]1O"]
["C[C@]([H])(N([H])C(=O)[C@](C)([H])O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@]([H])(O[P@@](=O)(O[P@](=O)(OC[C@@]2([H])O[C@@]([H])(N1C=CC(=O)N([H])C1=O)[C@]([H])(O[H])[C@]2([H])O[H])O[H])O[H])[C@]3([H])N([H])C(C)=O)C(=O)N([H])[C@]([H])(CCC(=O)O[H])C(=O)N([H])[C@@]([H])(CCCCN([H])[H])C(=O)O[H]","Compound Number 3285",24,2.27,"Peptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine\r\nUDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Peptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine\r\nUDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04700","C[C@H](NC(=O)C(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O"]
["C[C@@]([H])(N([H])C(=O)[C@](C)([H])N([H])C(=O)[C@]([H])(CCCCN([H])[H])N([H])C(=O)CC[C@@]([H])(N([H])C(=O)[C@@](C)([H])N([H])C(=O)[C@](C)([H])O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@]([H])(O[P@](=O)(O[P@](=O)(OC[C@@]2([H])O[C@@]([H])(N1C=CC(=O)N([H])C1=O)[C@]([H])(O[H])[C@]2([H])O[H])O[H])O[H])[C@]3([H])N([H])C(C)=O)C(=O)O[H])C(=O)O[H]","Compound Number 3286",25,0.505,"Peptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)\r\nUDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D- alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Peptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)\r\nUDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D- alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04702","C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(O)=O)C(O)=O"]
["C[C@@]([H])(N([H])C(=O)[C@]([H])(CCC[C@@]([H])(N([H])[H])C(=O)O[H])N([H])C(=O)CC[C@@]([H])(N([H])C(=O)[C@@](C)([H])N([H])C(=O)[C@@](C)([H])O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])O[C@@]([H])(O[P@](=O)(O[P@](=O)(OC[C@@]2([H])O[C@@]([H])(N1C=CC(=O)N([H])C1=O)[C@]([H])(O[H])[C@]2([H])O[H])O[H])O[H])[C@]3([H])N([H])C(C)=O)C(=O)O[H])C(=O)O[H]","Compound Number 3352",26,1.012,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-D-Ala\r\nUDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D- alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04804","C[C@@H](NC(=O)[C@H](CCCC(N)C(O)=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)O[C@H]1[C@H](O)[C@@H](O)OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(O)=O)C(O)=O"]
["CCN([H])[C@@]3([H])[C@@]([H])(O[H])O[C@]([H])(CO[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[C@]1([H])O[C@]([H])(CO[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(C)=O)[C@]3([H])O[C@](C)([H])C(=O)N([H])[C@](C)([H])C(=O)N([H])[C@]([H])(CCC(=O)N([H])[C@@]([H])(CCCCN([H])[H])C(=O)N([H])[C@@](C)([H])C(=O)O[H])C(=O)N([H])[H]","Compound Number 3364",27,1.263,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","beta-D-Galactosyl-beta-1,4-N-acetyl-D-glucosaminylglycopeptide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04819","CCN[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(O)=O)C(N)=O"]
["C[C@@]([H])(N([H])C(=O)[C@](C)([H])N([H])C(=O)[C@]([H])(CCC[C@@]([H])(N([H])[H])C(=O)O[H])N([H])C(=O)CC[C@@]([H])(N([H])C(=O)[C@@](C)([H])N([H])C(=O)[C@@](C)([H])O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])O[C@@]([H])(O[P@@](=O)(O[P@@](=O)(OC[C@@]2([H])O[C@@]([H])(N1C=CC(=O)N([H])C1=O)[C@]([H])(O[H])[C@]2([H])O[H])O[H])O[H])[C@]3([H])N([H])C(C)=O)C(=O)O[H])C(=O)O[H]","Compound Number 3370",28,1.229,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-N-acetylmuramoyl-L-Ala-D-gamma-Glu-6-carboxy-L-Lys-(D-Ala)2\r\nUDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D- alanyl-D-alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04828","C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCC(N)C(O)=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)O[C@H]1[C@H](O)[C@@H](O)OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(O)=O)C(O)=O"]
["C[C@@]([H])(N([H])C(=O)[C@](C)([H])N([H])C(=O)[C@]([H])(CCCCN([H])[H])N([H])C(=O)[C@@]([H])(CCC(=O)O[H])N([H])C(=O)[C@@](C)([H])N([H])C(=O)[C@@](C)([H])O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@]([H])(O[P@@](=O)(O[P@@](=O)(OC[C@@]2([H])O[C@@]([H])(N1C=CC(=O)N([H])C1=O)[C@]([H])(O[H])[C@]2([H])O[H])O[H])O[H])[C@]3([H])N([H])C(C)=O)C(=O)O[H]","Compound Number 3381",29,1.167,"Peptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Peptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04846","C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)C(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(O)=O"]
["C[C@]([H])(N([H])C(=O)[C@](C)([H])O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@]([H])(O[P@@](=O)(O[P@](=O)(OC[C@@]2([H])O[C@@]([H])(N1C=CC(=O)N([H])C1=O)[C@]([H])(O[H])[C@]2([H])O[H])O[H])O[H])[C@]3([H])N([H])C(C)=O)C(=O)N([H])[C@]([H])(CCC(=O)N([H])[C@]([H])(CCC[C@@]([H])(N([H])[H])C(=O)O[H])C(=O)O[H])C(=O)O[H]","Compound Number 3403",30,1.226,"Lysine biosynthesis\r\nPeptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00300\r\nmap00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6- diaminopimelate\r\nUDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino- heptanedioate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Lysine biosynthesis\r\nPeptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00300\r\nmap00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6- diaminopimelate\r\nUDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino- heptanedioate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04877","C[C@H](NC(=O)C(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(=O)NC(CCCC(N)C(O)=O)C(O)=O)C(O)=O"]
["CCN([H])[C@@]4([H])[C@]([H])(O[H])O[C@]([H])(CO[H])[C@@]([H])(O[C@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(CO[H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])O[C@]([H])(CO[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]3([H])N([H])C(C)=O)[C@]4([H])O[C@@](C)([H])C(=O)N([H])[C@](C)([H])C(=O)N([H])[C@]([H])(CCC(=O)N([H])[C@@]([H])(CCCCN([H])[H])C(=O)N([H])[C@@](C)([H])C(=O)O[H])C(=O)N([H])[H]","Compound Number 3404",31,1.888,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","alpha-D-Galactosyl-1,3-D-galactosylbeta-1,4-N-acetyglucosaminyl- glycopeptide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04878","CCN[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(O)=O)C(N)=O"]
["C[C@]([H])(N([H])C(=O)CC[C@@]([H])(N([H])C(=O)[C@@](C)([H])N([H])C(=O)[C@](C)([H])O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@]([H])(O[P@@](=O)(O[P@](=O)(OC[C@@]2([H])O[C@@]([H])(N1C=CC(=O)N([H])C1=O)[C@]([H])(O[H])[C@]2([H])O[H])O[H])O[H])[C@]3([H])N([H])C(C)=O)C(=O)N([H])[C@@]([H])(CCCCN([H])[H])C(=O)N([H])[C@@](C)([H])C(=O)N([H])[C@@](C)([H])C(=O)O[H])C(=O)O[H]","Compound Number 3416",32,0.518,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D- alanyl-D-alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04894","C[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)N[C@H](C)C(O)=O)C(O)=O"]
["C[C@@]([H])(N([H])C(=O)[C@]([H])(CCC[C@]([H])(N([H])[H])C(=O)O[H])N([H])C(=O)CC[C@@]([H])(N([H])C(=O)[C@@](C)([H])N([H])C(=O)[C@](C)([H])O[C@]1([H])[C@@]([H])(N([H])C(C)=O)[C@@]([H])(O[H])O[C@]([H])(CO[H])[C@@]1([H])O[C@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(C)=O)C(=O)O[H])C(=O)O[H]","Compound Number 3425",33,0.974,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy- L-lysyl-D-alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04904","C[C@@H](NC(=O)[C@H](CCCC(N)C(O)=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)O[C@@H]1[C@@H](NC(C)=O)[C@@H](O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C(O)=O)C(O)=O"]
["O=C2N([H])[C@@]([H])(C=CC(C)=C[C@@](C)([H])[C@]([H])(C/C1=C/C=CC=C1)OC)[C@@](C)([H])C(=O)N([H])[C@]([H])(CCC(=O)N(C)C(=C)C(=O)N([H])[C@@](C)([H])C(=O)N([H])[C@@]([H])(CC(C)(C)[H])C(=O)N([H])[C@@]([H])(C(=O)O[H])[C@@](C)([H])C(=O)N([H])[C@@]2([H])CCCN([H])C(=N[H])N([H])[H])C(=O)O[H]","Compound Number 3649",34,0.308,"Nonribosomal peptide structures\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map01054\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Microcystin-LR\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Nonribosomal peptide structures\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map01054\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Microcystin-LR\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C05371","[H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O)\\C=C\\C(C)=C\\[C@H](C)[C@H](Cc1ccccc1)OC"]
["C[C@@]([H])(N([H])C(=O)[C@](C)([H])N([H])C(=O)[C@]([H])(CCCCN([H])[H])N([H])C(=O)[C@@]([H])(CCC(=O)O[H])N([H])C(=O)[C@@](C)([H])N([H])C(=O)[C@](C)([H])O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@]([H])(O[P@](=O)(O[P@@](=O)(OC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)C)O[H])O[H])[C@]1([H])N([H])C(C)=O)C(=O)O[H]","Compound Number 4012",35,1.392,"Peptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl- D-alanyl-D-alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Peptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl- D-alanyl-D-alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C05888","C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)C(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)C)[C@@H]1NC(C)=O)C(O)=O"]
["C[C@@]([H])(N([H])C(=O)[C@](C)([H])N([H])C(=O)[C@]([H])(CCCCN([H])[H])N([H])C(=O)[C@@]([H])(CCC(=O)O[H])N([H])C(=O)[C@@](C)([H])N([H])C(=O)[C@](C)([H])O[C@]1([H])[C@@]([H])(N([H])C(C)=O)[C@@]([H])(O[P@@](=O)(O[P@@](=O)(OC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)C)O[H])O[H])O[C@]([H])(CO[H])[C@@]1([H])O[C@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(C)=O)C(=O)O[H]","Compound Number 4013",36,0.943,"Peptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Peptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C05889","C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)C(C)O[C@@H]1[C@@H](NC(C)=O)[C@H](O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)OP(O)(=O)OP(O)(=O)OC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)C)C(O)=O"]
["C[C@@]([H])(N([H])C(=O)[C@](C)([H])N([H])C(=O)[C@]([H])(CCCCN([H])[H])N([H])C(=O)[C@@]([H])(CCC(=O)N([H])[H])N([H])C(=O)[C@@](C)([H])N([H])C(=O)[C@@](C)([H])O[C@]1([H])[C@@]([H])(N([H])C(C)=O)[C@@]([H])(O[P@](=O)(O[P@](=O)(OC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)C)O[H])O[H])O[C@]([H])(CO[H])[C@@]1([H])O[C@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(C)=O)C(=O)O[H]","Compound Number 4014",37,0.166,"Peptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-D-glutaminyl-L-lysyl-D-alanyl-D-alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Peptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-D-glutaminyl-L-lysyl-D-alanyl-D-alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C05890","C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)C(C)O[C@@H]1[C@@H](NC(C)=O)C(O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)OP(O)(=O)OP(O)(=O)OC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)C)C(O)=O |w:42.64|"]
["C[C@@]([H])(N([H])C(=O)[C@](C)([H])N([H])C(=O)[C@]([H])(CCCCN([H])C(=O)CN([H])C(=O)CN([H])C(=O)CN([H])C(=O)CN([H])C(=O)CN([H])[H])N([H])C(=O)C[C@@]([H])(CC(=O)N([H])C(=O)[C@@](C)([H])N([H])C(=O)[C@@](C)([H])O[C@]1([H])[C@@]([H])(N([H])C(C)=O)[C@@]([H])(O[P@](=O)(O[P@](=O)(OC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)C)O[H])O[H])O[C@]([H])(CO[H])[C@@]1([H])O[C@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(C)=O)N([H])[H])C(=O)O[H]","Compound Number 4019",38,0.306,"Peptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Peptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C05895","C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)NC(=O)C[C@H](N)CC(=O)NC(=O)[C@H](C)NC(=O)C(C)O[C@@H]1[C@@H](NC(C)=O)C(O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)OP(O)(=O)OP(O)(=O)OC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)C)C(O)=O |w:62.84|"]
["C[C@@]([H])(N([H])C(=O)[C@](C)([H])N([H])C(=O)[C@@]([H])(CCC[C@]([H])(N([H])[H])C(=O)O[H])N([H])C(=O)[C@@]([H])(CCC(=O)O[H])N([H])C(=O)[C@@](C)([H])N([H])C(=O)[C@](C)([H])O[C@]1([H])[C@@]([H])(N([H])C(C)=O)[C@@]([H])(O[P@](=O)(O[P@@](=O)(OC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)CC/C=C(\\C)C)O[H])O[H])O[C@]([H])(CO[H])[C@@]1([H])O[C@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(C)=O)C(=O)O[H]","Compound Number 4022",39,1.025,"Peptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Peptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C05898","C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC[C@H](N)C(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)C(C)O[C@@H]1[C@@H](NC(C)=O)[C@H](O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)OP(O)(=O)OP(O)(=O)OC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)CC\\C=C(/C)C)C(O)=O"]
["C[C@@]([H])(N([H])C2=C/C=C(/C[C@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])CO[C@@]1([H])O[C@]([H])(CO[P@](=O)(O[C@@]([H])(CCC(=O)O[H])C(=O)O[H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H])C=C2)C4=NC3=C(/N=C(/N([H])[H])N([H])C3=O)N([H])[C@]4(C)[H]","Compound Number 4049",40,2.953,"Folate biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00790\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","7,8-Dihydromethanopterin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Folate biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00790\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","7,8-Dihydromethanopterin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C05927","C[C@@H](Nc1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(O)(=O)O[C@@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)cc1)C1=Nc2c(N[C@H]1C)nc(N)[nH]c2=O |t:42|"]
["CC(C)([H])C[C@@]([H])(N(C)[H])C(=O)N([H])[C@@]2([H])C(=O)N([H])[C@@]([H])(CC(=O)N([H])[H])C(=O)N([H])[C@]7([H])C=5C=C(OC1=CC=C(/C=C1/[Cl])[C@@]2([H])O[H])C(O[C@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[C@@]4([H])C[C@](C)(N([H])[H])[C@]([H])(O[H])[C@@](C)([H])O4)=C(C=5)OC6=CC=C(/C=C6/[Cl])[C@@]([H])(O[H])[C@]%10([H])N([H])C(=O)[C@]([H])(N([H])C7=O)C8=C/C=C(/O[H])C(=C8)C9=C(O[H])C=C(O[H])C=C9[C@@]([H])(N([H])C%10=O)C(=O)O[H]","Compound Number 4642",41,1.617,"Biosynthesis of vancomycin group antibiotics\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map01055\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Vancomycin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Biosynthesis of vancomycin group antibiotics\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map01055\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Vancomycin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C06689","CN[C@H](CC(C)C)C(=O)NC1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2"]
["O=C(N([H])[C@]2([H])C[C@]([H])(N([H])[H])[C@@]([H])(O[C@@]1([H])O[C@]([H])(CN([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])[C@@]2([H])O[C@@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(N([H])[H])[C@@]3([H])O[H])[C@]([H])(CCN([H])[H])O[H]","Compound Number 4740",42,0.806,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Amikacin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-1757","C06820","NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O"]
["O=C(N([H])[C@]([H])(CCCCN([H])[H])C(=O)N([H])CC(=O)N([H])[H])[C@]1([H])CCCN1C(=O)[C@@]4([H])C[S][S]C[C@]([H])(N([H])[H])C(=O)N([H])[C@@]([H])(C/C2=C/C=C(/O[H])C=C2)C(=O)N([H])[C@@]([H])(C/C3=C/C=CC=C3)C(=O)N([H])[C@]([H])(CCC(=O)N([H])[H])C(=O)N([H])[C@]([H])(CC(=O)N([H])[H])C(=O)N4[H]","Compound Number 4909",43,0.367,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Lys-vasopressin\r\nLypressin\r\n8-L-Lysine vasopressin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-47343","C07105","NCCCCC(NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NCC(N)=O"]
["C[C@]([H])(O[H])[C@]([H])(CO[H])N([H])C(=O)[C@]5([H])C[S][S]C[C@]([H])(N([H])C(=O)[C@]([H])(C/C1=C/C=CC=C1)N([H])[H])C(=O)N([H])[C@]([H])(C/C2=C/C=CC=C2)C(=O)N([H])[C@@]([H])(C/C4=C/N([H])C3=CC=CC=C34)C(=O)N([H])[C@]([H])(CCCCN([H])[H])C(=O)N([H])[C@]([H])(C(=O)N5[H])[C@@](C)([H])O[H]","Compound Number 5035",44,1.861,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Octreotide\r\nD-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L- threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L- cysteinamide cyclic (2->7)-disulfide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-41733","C07306","CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1"]
["CC(C)([H])C[C@@]([H])(N(C)[H])C(=O)N([H])[C@@]2([H])C(=O)N([H])[C@@]([H])(CC(=O)N([H])[H])C(=O)N([H])[C@]7([H])C=5C=C(OC1=CC=C(/C=C1/[Cl])[C@@]2([H])O[H])C(O[C@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[C@@]4([H])C[C@](C)(N([H])[H])[C@]([H])(O[H])[C@@](C)([H])O4)=C(C=5)OC6=CC=C(/C=C6/[Cl])[C@@]([H])(O[H])[C@]%10([H])N([H])C(=O)[C@]([H])(N([H])C7=O)C8=C/C=C(/O[H])C(=C8)C9=C(O[H])C=C(O[H])C=C9[C@@]([H])(N([H])C%10=O)C(=O)O[H]","Compound Number 5493",45,1.617,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Vancomycin hydrochloride\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08121","Cl.CN[C@H](CC(C)C)C(=O)NC1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2"]
["C[C@@]([H])(C[C@]([H])(N([H])C(=O)C([H])(O[H])O[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]1([H])C(=O)N([H])C(=C[Cl])C(=O)N([H])[C@@]([H])(CC2=C(O[C@]1([H])C(C)(C)[H])C[C@]([H])(O[H])C2=O)C(=O)O[H])[C@]([H])(O[H])CCCN([H])[H])C([Cl])([Cl])[H]","Compound Number 5739",46,0.652,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Victorin C\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08443","[H]C(C)(C[C@H](NC(=O)C(O)O)C(=O)N[C@@H]([C@H](O)CCCN)C(=O)N[C@H]1[C@H](OC2=C(C[C@H](NC(=O)\\C(NC1=O)=C/Cl)C(O)=O)C(=O)C([H])(O)C2)C(C)C)C(Cl)Cl |r,w:45.46,1.0,c:27|"]
["CO/C6=C/C(/C=C/C(=O)O[C@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@@]2([H])OC=5C=C4C[C@@]([H])(C(=O)[O-])[N+](=C/C=C3/C[C@]([H])(N([H])C(=C3)C(=O)O[H])C(=O)O[H])C4=CC=5O[H])C(=O)O[H])=C/C=C6/O[H]","Compound Number 5833",47,2.138,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Celosianin II\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08542","COc1cc(\\C=C\\C(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc3C[C@@H](C([O-])=O)\\[N+](=C/C=C4C[C@H](NC(=C\\4)C(O)=O)C(O)=O)c3cc2O)C(O)=O)ccc1O |r,c:47|"]
["C[C@@]%10([H])CC[C@@]5(O[C@@]4([H])C[C@@]3([H])[C@]2([H])CC[C@@]1([H])C[C@]([H])(CC[C@]1(C)[C@@]2([H])CC[C@]3(C)[C@@]4([H])[C@@]5(C)[H])O[C@]9([H])O[C@]([H])(CO[H])[C@]([H])(O[C@]7([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[C@]6([H])OC[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[H])[C@@]7([H])O[C@]8([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]8([H])O[H])[C@]([H])(O[H])[C@@]9([H])O[H])N([H])C%10","Compound Number 7983",48,0.348,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Tomatine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C10827","C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O"]
["CC(C)([H])C[C@@]([H])(N(C)[H])C(=O)N([H])[C@@]2([H])C(=O)N([H])[C@@]([H])(CC(=O)N([H])[H])C(=O)N([H])[C@]8([H])C=5C=C(OC1=CC=C(/C=C1/[Cl])[C@@]2([H])O[H])C(O[C@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[C@@]4([H])C[C@](C)(N([H])[H])[C@@]([H])(O[H])[C@@](C)([H])O4)=C(C=5)OC6=CC=C(/C=C6/[Cl])[C@@]([H])(O[C@@]7([H])C[C@](C)(N([H])[H])[C@@]([H])(O[H])[C@@](C)([H])O7)[C@]%11([H])N([H])C(=O)[C@]([H])(N([H])C8=O)C9=C/C=C(/O[H])C(=C9)C%10=C(O[H])C=C(O[H])C=C%10[C@@]([H])(N([H])C%11=O)C(=O)O[H]","Compound Number 9071",49,1.692,"Biosynthesis of vancomycin group antibiotics\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map01055\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Chloroeremomycin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Biosynthesis of vancomycin group antibiotics\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map01055\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Chloroeremomycin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C12014","CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)(N)[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@@H](O)[C@H](C)O1)c(Cl)c2"]
["CC(C)([H])C[C@@]([H])(N(C)[H])C(=O)N([H])[C@@]2([H])C(=O)N([H])[C@@]([H])(CC(=O)N([H])[H])C(=O)N([H])[C@]%10([H])C=7C=C(OC1=CC=C(/C=C1/[Cl])[C@@]2([H])O[H])C(O[C@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[C@@]6([H])C[C@](C)(N([H])C/C4=C/C=C(C=C4)C5=C/C=C(/[Cl])C=C5)[C@@]([H])(O[H])[C@@](C)([H])O6)=C(C=7)OC8=CC=C(/C=C8/[Cl])[C@@]([H])(O[C@@]9([H])C[C@](C)(N([H])[H])[C@@]([H])(O[H])[C@@](C)([H])O9)[C@]%13([H])N([H])C(=O)[C@]([H])(N([H])C%10=O)C%11=C/C=C(/O[H])C(=C%11)C%12=C(O[H])C=C(O[H])C=C%12[C@@]([H])(N([H])C%13=O)C(=O)O[H]","Compound Number 9088",50,0.623,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Chlorobiphenyl-chloroeremomycin\r\nLY333328\r\nOritavancin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C12034","CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)(N)[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(NCc3ccc(cc3)-c3ccc(Cl)cc3)[C@@H](O)[C@H](C)O1)c(Cl)c2"]
["CC(C)([H])C[C@@]([H])(N(C)[H])C(=O)N([H])[C@@]2([H])C(=O)N([H])[C@@]([H])(CC(=O)N([H])[H])C(=O)N([H])[C@]9([H])C=7C=C(OC1=CC=C(/C=C1/[Cl])[C@@]2([H])O[H])C(O[C@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[C@@]6([H])C[C@](C)(N([H])C/C4=C/C=C(C=C4)C5=C/C=C(/[Cl])C=C5)[C@]([H])(O[H])[C@@](C)([H])O6)=C(C=7)OC8=CC=C(/C=C8/[Cl])[C@@]([H])(O[H])[C@]%12([H])N([H])C(=O)[C@]([H])(N([H])C9=O)C%10=C/C=C(/O[H])C(=C%10)C%11=C(O[H])C=C(O[H])C=C%11[C@@]([H])(N([H])C%12=O)C(=O)O[H]","Compound Number 9089",51,1.143,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Chlorobiphenyl-vancomycin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C12035","CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(NCc3ccc(cc3)-c3ccc(Cl)cc3)[C@H](O)[C@H](C)O1)c(Cl)c2"]
["C[C@]3([H])O[C@]([H])(C[C@](C)(N([H])C/C1=C/C=C(C=C1)C2=C/C=C(/[Cl])C=C2)[C@]3([H])O[H])O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@@]4([H])O/C9=C%11\\OC5=CC=C(/C=C5/[Cl])[C@@]([H])(O[H])[C@@]([H])(N([H])[H])C(=O)N([H])[C@@]([H])(CC(=O)N([H])[H])C(=O)N([H])[C@@]%10([H])C(=O)N([H])[C@@]7([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)O[H])C6=CC(O[H])=CC(O[H])=C6C=8C=C7C=CC=8O[H])[C@]([H])(O[H])C%12=CC=C(OC9=CC%10=C%11)C([Cl])=C%12","Compound Number 9090",52,1.707,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Chlorobiphenyl-desleucyl-vancomycin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C12036","C[C@@H]1O[C@H](C[C@](C)(NCc2ccc(cc2)-c2ccc(Cl)cc2)[C@@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(cc3Cl)[C@@H](O)[C@@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]3C(=O)N[C@H]4C(=O)N[C@@H]([C@H](O)c5ccc(Oc1cc3c2)c(Cl)c5)C(=O)N[C@@H](C(O)=O)c1cc(O)cc(O)c1-c1cc4ccc1O"]
["CC(C)([H])CCCCCCC(=O)N([H])[C@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@@]1([H])O/C%10=C%12\\OC%14=CC=C(C[C@]3([H])C(=O)N([H])[C@@]([H])(C=4C=C(C=C(OC2=CC(=C/C=C2/O[H])[C@]([H])(C(=O)N3[H])N([H])[H])C=4)O[H])C(=O)N([H])[C@@]%11([H])C(=O)N([H])[C@@]7([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)O[H])C6=CC(O[H])=CC(O[C@@]5([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]5([H])O[H])=C6C=8C=C7C=CC=8O[H])[C@]([H])(O[C@]9([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]9([H])N([H])C(C)=O)C%13=CC=C(OC%10=CC%11=C%12)C([Cl])=C%13)C=C%14[Cl]","Compound Number 9100",53,0.246,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Teicoplanin A2-2\r\nTeichomycin A2 factor 2\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C12046","CC(C)CCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@H]4C(=O)N[C@H]6C(=O)N[C@@H]([C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7NC(C)=O)c7ccc(Oc1cc4c2)c(Cl)c7)C(=O)N[C@@H](C(O)=O)c1cc(O)cc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1-c1cc6ccc1O)c5)cc3Cl"]
["CN1[C@@]5([H])CC[C@]1([H])[C@]([H])(C(=O)[S]CCN([H])C(=O)CCN([H])C(=O)[C@@]([H])(O[H])C(C)(C)CO[P@@](=O)(O[P@@](=O)(OC[C@@]4([H])O[C@@]([H])(N3C=NC2=C(N=CN=C23)N([H])[H])[C@]([H])(O[H])[C@]4([H])O[P](=O)(O[H])O[H])O[H])O[H])[C@@]([H])(O[H])C5","Compound Number 9474",54,1.037,"Alkaloid biosynthesis II\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00960\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Pseudoecgonyl-CoA\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Alkaloid biosynthesis II\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00960\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Pseudoecgonyl-CoA\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C12450","CN1C2CCC1[C@@H]([C@@H](O)C2)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12"]
["CCCCC/C=C/CCC(=O)N([H])[C@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@@]1([H])O/C%10=C%12\\OC%14=CC=C(C[C@]3([H])C(=O)N([H])[C@@]([H])(C=4C=C(C=C(OC2=CC(=C/C=C2/O[H])[C@]([H])(C(=O)N3[H])N([H])[H])C=4)O[H])C(=O)N([H])[C@@]%11([H])C(=O)N([H])[C@@]7([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)O[H])C6=CC(O[H])=CC(O[C@@]5([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]5([H])O[H])=C6C=8C=C7C=CC=8O[H])[C@]([H])(O[C@]9([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]9([H])N([H])C(C)=O)C%13=CC=C(OC%10=CC%11=C%12)C([Cl])=C%13)C=C%14[Cl]","Compound Number 9736",55,0.398,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Teicoplanin A2-1\r\nTeichomycin A2 factor 1\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C13587","CCCCC\\C=C\\CCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@H]4C(=O)N[C@H]6C(=O)N[C@@H]([C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7NC(C)=O)c7ccc(Oc1cc4c2)c(Cl)c7)C(=O)N[C@@H](C(O)=O)c1cc(O)cc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1-c1cc6ccc1O)c5)cc3Cl"]
["CCCCCCCCCC(=O)N([H])[C@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@@]1([H])O/C%10=C%12\\OC%14=CC=C(C[C@]3([H])C(=O)N([H])[C@@]([H])(C=4C=C(C=C(OC2=CC(=C/C=C2/O[H])[C@]([H])(C(=O)N3[H])N([H])[H])C=4)O[H])C(=O)N([H])[C@@]%11([H])C(=O)N([H])[C@@]7([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)O[H])C6=CC(O[H])=CC(O[C@@]5([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]5([H])O[H])=C6C=8C=C7C=CC=8O[H])[C@]([H])(O[C@]9([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]9([H])N([H])C(C)=O)C%13=CC=C(OC%10=CC%11=C%12)C([Cl])=C%13)C=C%14[Cl]","Compound Number 9737",56,0.391,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Teicoplanin A2-3\r\nTeichomycin A2 factor 3\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C13588","CCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@H]4C(=O)N[C@H]6C(=O)N[C@@H]([C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7NC(C)=O)c7ccc(Oc1cc4c2)c(Cl)c7)C(=O)N[C@@H](C(O)=O)c1cc(O)cc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1-c1cc6ccc1O)c5)cc3Cl"]
["CC[C@](C)([H])CCCCCCC(=O)N([H])[C@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@@]1([H])O/C%10=C%12\\OC%14=CC=C(C[C@]3([H])C(=O)N([H])[C@@]([H])(C=4C=C(C=C(OC2=CC(=C/C=C2/O[H])[C@]([H])(C(=O)N3[H])N([H])[H])C=4)O[H])C(=O)N([H])[C@@]%11([H])C(=O)N([H])[C@@]7([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)O[H])C6=CC(O[H])=CC(O[C@@]5([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]5([H])O[H])=C6C=8C=C7C=CC=8O[H])[C@]([H])(O[C@]9([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]9([H])N([H])C(C)=O)C%13=CC=C(OC%10=CC%11=C%12)C([Cl])=C%13)C=C%14[Cl]","Compound Number 9741",57,0.804,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Teicoplanin A2-4\r\nTeichomycin A2 factor 4\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C13610","CCC(C)CCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@H]4C(=O)N[C@H]6C(=O)N[C@@H]([C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7NC(C)=O)c7ccc(Oc1cc4c2)c(Cl)c7)C(=O)N[C@@H](C(O)=O)c1cc(O)cc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1-c1cc6ccc1O)c5)cc3Cl"]
["CC(C)([H])CCCCCCCC(=O)N([H])[C@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@@]1([H])O/C%10=C%12\\OC%14=CC=C(C[C@]3([H])C(=O)N([H])[C@@]([H])(C=4C=C(C=C(OC2=CC(=C/C=C2/O[H])[C@]([H])(C(=O)N3[H])N([H])[H])C=4)O[H])C(=O)N([H])[C@@]%11([H])C(=O)N([H])[C@@]7([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)O[H])C6=CC(O[H])=CC(O[C@@]5([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]5([H])O[H])=C6C=8C=C7C=CC=8O[H])[C@]([H])(O[C@]9([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]9([H])N([H])C(C)=O)C%13=CC=C(OC%10=CC%11=C%12)C([Cl])=C%13)C=C%14[Cl]","Compound Number 9742",58,0.431,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Teicoplanin A2-5\r\nTeichomycin A2 factor 5\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C13612","CC(C)CCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@H]4C(=O)N[C@H]6C(=O)N[C@@H]([C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7NC(C)=O)c7ccc(Oc1cc4c2)c(Cl)c7)C(=O)N[C@@H](C(O)=O)c1cc(O)cc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1-c1cc6ccc1O)c5)cc3Cl"]
["CC(=O)N([H])[C@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@@]1([H])O[C@]3([H])C%13=CC=C(OC=%12C=C2C=C(OC%11=CC=C(C[C@]9([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]2([H])C(=O)N([H])[C@@]6([H])C(=O)N([H])[C@]3([H])C(=O)N([H])[C@]([H])(C5=CC(=CC(O[C@@]4([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[H])=C5C7=CC6=C/C=C7/O[H])O[H])C(=O)O[H])C%10=CC(O[H])=CC(OC8=CC(=C/C=C8/O[H])[C@]([H])(C(=O)N9[H])N([H])[H])=C%10)C=C%11[Cl])C=%12O[H])C([Cl])=C%13","Compound Number 9743",59,0.838,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Teicoplanin A3-1\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C13613","CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(Oc6cc3cc(Oc3ccc1cc3Cl)c6O)c(Cl)c5)NC(=O)[C@H](N)c1ccc(O)c(Oc3cc(O)cc4c3)c1)c1ccc(O)c(c1)-c1c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc(O)cc1[C@@H](NC2=O)C(O)=O"]
["[H]N([H])C[C@@]4([H])O[C@]([H])(O[C@]1([H])[C@]([H])(C[C@@]([H])(N([H])[H])[C@]([H])(O[H])[C@@]1([H])O[C@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[C@@]2([H])O[C@]([H])(CN([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])N([H])[H])[C@@]3([H])O[H])N([H])[H])[C@]([H])(N([H])[H])[C@@]([H])(O[H])[C@]4([H])O[H]","Compound Number 11529",60,0.598,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Neomycin C\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C15652","NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O"]
["O=C2C=1N=CN(C=1/N=C(/N([H])[H])N2[H])[C@@]4([H])O[C@]([H])(CO[P@](=O)(O[P@@](=O)(O[C@@]3([H])O[C@@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H])[C@@]([H])(O[H])[C@@]4([H])O[H]","Compound Number 11744",61,0.824,"Ascorbate and aldarate metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00053\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-L-gulose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Ascorbate and aldarate metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00053\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-L-gulose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C15925","Nc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O"]

{"sheet":"ethambutol and KEGG (shape)","index":11,"n_rows":2,"n_cols":15,"rows_kept":2,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Structure","Name","Index","FitValue","PercentFilled","ShapeSimilarity","Pathway"," Pathway ID","Synonyms","Pathway","Pathway ID"," Synonyms","CDD Published Structure Registry Number","Molecule Name","SMILES"]
["CC[C@@]([H])(CO[H])N([H])CCN([H])[C@@]([H])(CC)CO[H]","Compound Number 4844",1,4.427,85.401,0.767,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Ethambutol\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-1761","C06984","CC[C@@H](CO)NCCN[C@@H](CC)CO"]

{"sheet":"ethambutol and KEGG (no shape)","index":12,"n_rows":10,"n_cols":13,"rows_kept":10,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Structure","Name","Index","FitValue"," Pathway","Pathway ID"," Synonyms"," Pathway","Pathway ID"," Synonyms","CDD Published Structure Registry Number","Molecule Name","SMILES"]
["O=C(N([H])CCCC[C@]([H])(CN([H])[H])N([H])[C@@]([H])(O[H])C=1C=C/C=C(/O[H])C=1O[H])C=2C=C/C=C(/O[H])C=2O[H]","Compound Number 4431",1,2.186,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Myxochlin B\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C06449","NCC(CCCCNC(=O)c1cccc(O)c1O)NC(O)c1cccc(O)c1O"]
["[Cl]/C1=C/C=C(C=C1)N([H])C(=N[H])N([H])C(=N[H])N([H])CCCCCCN([H])C(=N[H])N([H])C(=N[H])N([H])C2=C/C=C(/[Cl])C=C2","Compound Number 4796",2,2.231,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Chlorhexidine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-134","C06902","Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1"]
["CC[C@@]([H])(CO[H])N([H])CCN([H])[C@@]([H])(CC)CO[H]","Compound Number 4844",3,4.311,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Ethambutol\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-1761","C06984","CC[C@@H](CO)NCCN[C@@H](CC)CO"]
["COC=1C=C9C(=CC=1[C@]2(C[C@]5([H])CN(CCC4=C2N([H])C3=CC=CC=C34)C[C@](O[H])(CC)C5)C(=O)OC)[C@]78CCN6CC=C[C@](CC)([C@@]67[H])[C@@]([H])(OC(C)=O)[C@](O[H])(C(=O)OC)[C@]8([H])N9C","Compound Number 4964",4,0.245,"Indole and ipecac alkaloid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00901\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Vinblastine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Indole and ipecac alkaloid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00901\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Vinblastine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C07201","[H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@@H]2C[N@](CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC |c:32|"]
["COC=1C=C9C(=CC=1[C@]2(C[C@]5([H])CN(CCC4=C2N([H])C3=CC=CC=C34)C[C@](O[H])(CC)C5)C(=O)OC)[C@]78CCN6CC=C[C@](CC)([C@@]67[H])[C@@]([H])(OC(C)=O)[C@](O[H])(C(=O)OC)[C@]8([H])N9C=O","Compound Number 4966",5,0.279,"Indole and ipecac alkaloid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00901\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Vincristine\r\n22-Oxovincaleukoblastine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Indole and ipecac alkaloid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00901\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Vincristine\r\n22-Oxovincaleukoblastine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C07204","[H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C=O)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@@H]2C[N@](CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC |c:33|"]
["CN3CC[C@]2(C1=CC=CC=C1N([H])[C@@]23[H])C4=CC=CC6=C4N([H])[C@@]5([H])N(C)CC[C@@]56/C7=C/C=CC9=C7N([H])[C@@]8([H])N(C)CC[C@@]89[C@]%10%12CCN(C)[C@@]%10([H])N([H])C%11=C(C=CC=C%11%12)[C@@]%13%15CCN(C)[C@]%13([H])N([H])C%14=CC=CC=C%14%15","Compound Number 6496",6,0.097,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Psychotridine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C09233","[H]C12Nc3ccccc3C1(CCN2C)c1cccc2c1NC1([H])N(C)CCC21c1cccc2c1NC1([H])N(C)CCC21C12CCN(C)C1([H])Nc1c(cccc21)C12CCN(C)C1([H])Nc1ccccc21 |w:9.16,27.33,56.67,41.50,35.42,47.57,21.25,1.0,61.74|"]
["CN3CC[C@]2(C1=CC=CC=C1N([H])[C@@]23[H])C4=CC=CC6=C4N([H])[C@]5([H])N(C)CC[C@]56[C@@]79CCN(C)[C@]7([H])N([H])C8=C(C=CC=C89)[C@@]%10%12CCN(C)[C@]%10([H])N([H])C%11=CC=CC=C%11%12","Compound Number 6497",7,0.883,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Quadrigemine A\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C09234","[H]C12Nc3ccccc3C1(CCN2C)c1cccc2c1NC1([H])N(C)CCC21C12CCN(C)C1([H])Nc1c(cccc21)C12CCN(C)C1([H])Nc1ccccc21 |w:42.50,9.16,1.0,21.25,28.33,33.40,47.57|"]
["COC=1C=C9C(=CC=1[C@]2(C[C@]5([H])CN(CCC4=C2N([H])C3=CC=CC=C34)C[C@](O[H])(CC)C5)C(=O)OC)[C@]78CCN6CC=C[C@](CC)([C@@]67[H])[C@@]([H])(OC(C)=O)[C@](O[H])(C(=O)OC)[C@]8([H])N9C","Compound Number 8701",8,0.245,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Vinblastine sulfate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11626","OS(O)(=O)=O.[H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@@H]2C[N@](CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC |c:36|"]
["C[C@]1([H])O[C@]([H])(C[C@@]([H])(N(C)C)[C@]1([H])O[H])C7=C/C(=C(/O[H])C=6C(=O)C2=C(/C=C(/C)C3=C2OC(=CC3=O)[C@]4(C)O[C@]4([H])[C@@]5([H])O[C@]5(C)[H])C(=O)C=67)[C@]8([H])C[C@](C)(N(C)C)[C@@]([H])(O[H])[C@@](C)([H])O8","Compound Number 11633",9,2.566,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Hedamycin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C15759","CC1OC(CC(C1O)N(C)C)c1cc(C2CC(C)(C(O)C(C)O2)N(C)C)c(O)c2C(=O)c3c(cc(C)c4c3oc(cc4=O)C3(C)OC3C3OC3C)C(=O)c12"]

{"sheet":"streptomycinand KEGG","index":13,"n_rows":204,"n_cols":15,"rows_kept":204,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Structure","Name","Index","FitValue","PercentFilled","ShapeSimilarity","Pathway","Pathway ID","Synonyms"," Pathway","Pathway ID","Synonyms","CDD Published Structure Registry Number","Molecule Name","SMILES"]
["O=C(N([H])[H])C1=CN(C=CC1)[C@]5([H])O[C@]([H])(CO[P@@](=O)(O[P@](=O)(OC[C@@]4([H])O[C@@]([H])(N3C=NC2=C(N=CN=C23)N([H])[H])[C@]([H])(O[H])[C@]4([H])O[H])O[H])O[H])[C@@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 4",1,1.435,72.154,0.553,"Oxidative phosphorylation\r\nCalcium signaling pathway\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00190\r\nmap04020\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","NADH\r\nDPNH\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Oxidative phosphorylation\r\nCalcium signaling pathway\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00190\r\nmap04020\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","NADH\r\nDPNH\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00004","NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |c:6,t:3|"]
["CC(=O)N([H])[C@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@]1([H])O[P@@](=O)(O[P@@](=O)(OC[C@@]3([H])O[C@@]([H])(N2C=CC(=O)N([H])C2=O)[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H]","Compound Number 41",2,0.282,68.827,0.548,"Aminosugars metabolism\r\nLipopolysaccharide biosynthesis\r\nPeptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00530\r\nmap00540\r\nmap00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-N-acetyl-D-glucosamine\r\nUDP-N-acetylglucosamine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Aminosugars metabolism\r\nLipopolysaccharide biosynthesis\r\nPeptidoglycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00530\r\nmap00540\r\nmap00550\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-N-acetyl-D-glucosamine\r\nUDP-N-acetylglucosamine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00043","CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O"]
["O=[P@@](O[C@@]1([H])O[C@]([H])(CO[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])(O[P@](=O)(OC[C@@]3([H])O[C@]([H])(N2C=CC(=O)N([H])C2=O)[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H]","Compound Number 48",3,2.111,66.9,0.565,"Galactose metabolism\r\nNucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00052\r\nmap00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-D-galactose\r\nUDP-galactose\r\nUDP-D-galactopyranose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Galactose metabolism\r\nNucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00052\r\nmap00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-D-galactose\r\nUDP-galactose\r\nUDP-D-galactopyranose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00052","OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O"]
["O=C2C=1N=CN(C=1/N=C(/N([H])[H])N2[H])[C@]4([H])O[C@]([H])(CO[P@](=O)(O[P@@](=O)(O[C@@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H])[C@@]([H])(O[H])[C@@]4([H])O[H]","Compound Number 87",4,1.735,67.075,0.543,"Fructose and mannose metabolism\r\nAscorbate and aldarate metabolism\r\nN-Glycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00051\r\nmap00053\r\nmap00510\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-mannose\r\nGDP-D-mannose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Fructose and mannose metabolism\r\nAscorbate and aldarate metabolism\r\nN-Glycan biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00051\r\nmap00053\r\nmap00510\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-mannose\r\nGDP-D-mannose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00096","Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O"]
["[H]OC[C@@]4([H])O[C@]([H])(OC[C@@]2([H])O[C@]([H])(O[C@]1([H])[C@@]([H])(CO[H])O[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[C@@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H]","Compound Number 168",5,0.673,69.702,0.511,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Glycogen\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00182","OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@@H]3[C@@H](CO)O[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"]
["O=[P@@](O[C@@]1([H])OC[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])(O[P@@](=O)(OC[C@@]3([H])O[C@]([H])(N2C=CC(=O)N([H])C2=O)[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H]","Compound Number 176",6,1.589,63.222,0.543,"Starch and sucrose metabolism\r\nNucleotide sugars metabolism\r\nChondroitin sulfate biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00500\r\nmap00520\r\nmap00532\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-D-xylose\r\nUDP-xylose\r\nUDP-alpha-D-xylose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Starch and sucrose metabolism\r\nNucleotide sugars metabolism\r\nChondroitin sulfate biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00500\r\nmap00520\r\nmap00532\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-D-xylose\r\nUDP-xylose\r\nUDP-alpha-D-xylose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00190","O[C@@H]1CO[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O"]
["C[C@]4([H])O[C@@]([H])(O[P@@](=O)(O[P@@](=O)(OC[C@@]3([H])O[C@@]([H])(N1C=NC2=C1N=C(N([H])C2=O)N([H])[H])[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[H]","Compound Number 293",7,1.309,66.024,0.538,"Fructose and mannose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-L-fucose\r\nGDP-beta-L-fucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Fructose and mannose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-L-fucose\r\nGDP-beta-L-fucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00325","C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H](O)[C@@H]1O"]
["CN([H])[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(CO[H])O[C@@]1([H])O[C@@]2([H])[C@@]([H])(O[C@](C)([H])[C@]2(O[H])C=O)O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(N([H])C(=N[H])N([H])[H])[C@@]([H])(O[H])[C@]3([H])N([H])C(=N[H])N([H])[H]","Compound Number 365",8,0.405,69.002,0.532,"Streptomycin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00521\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Streptomycin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Streptomycin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00521\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Streptomycin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-16368","C00413","CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N"]
["C[C@]34CC[C@@]2([H])C(=CC(=O)[C@]1([H])C[C@@]([H])(O[H])[C@@]([H])(O[H])C[C@]12C)[C@@]3(CC[C@]4([H])[C@@](C)([H])[C@]([H])(O[H])CCC(C)(C)O[H])O[H]","Compound Number 415",9,2.334,65.674,0.507,"Insect hormone biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00981\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Ecdysone\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Insect hormone biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00981\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Ecdysone\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00477","[H][C@]12CC[C@]3(C)[C@H](CC[C@@]3(O)C1=CC(=O)[C@]1([H])C[C@@H](O)[C@@H](O)C[C@]21C)[C@H](C)[C@H](O)CCC(C)(C)O |c:13|"]
["O=[P@](OC[C@@]3([H])O[C@@]([H])(N1C=NC=2C(=NC=NC1=2)N([H])[H])[C@]([H])(O[H])[C@]3([H])O[H])(O[P@@](=O)(O[C@@]4([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])O[H])O[H]","Compound Number 430",10,2.01,66.024,0.533,"Starch and sucrose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00500\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","ADP-glucose\r\nAdenosine diphosphoglucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Starch and sucrose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00500\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","ADP-glucose\r\nAdenosine diphosphoglucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00498","Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O"]
["O=[P@](OC[C@@]2([H])O[C@@]([H])(N1C=CC(=NC1=O)N([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])(O[P@](=O)(O[C@@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])O[H])O[H]","Compound Number 433",11,1.529,65.149,0.543,"Starch and sucrose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00500\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDP-glucose\r\nCDP-D-Glucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Starch and sucrose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00500\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDP-glucose\r\nCDP-D-Glucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00501","Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)n1"]
["O=[P@](OC[C@@]2([H])O[C@@]([H])(N1C=CC(=O)N([H])C1=O)[C@]([H])(O[H])[C@]2([H])O[H])(O[P@](=O)(O[C@@]3([H])O[C@]([H])(C(=O)O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])O[H])O[H]","Compound Number 525",12,2.181,65.324,0.547,"Starch and sucrose metabolism\r\nNucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00500\r\nmap00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-D-galacturonate\r\nUDPgalacturonate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Starch and sucrose metabolism\r\nNucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00500\r\nmap00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-D-galacturonate\r\nUDPgalacturonate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00617","O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)OC([C@@H]1O)n1ccc(=O)[nH]c1=O"]
["C[C@]([H])(CCC(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@]([H])(O[H])C[C@]1([H])C[C@]([H])(O[H])CC[C@]1(C)[C@@]2([H])C[C@]([H])(O[H])[C@]34C","Compound Number 589",13,1.845,62.872,0.529,"Bile acid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00120\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate\r\nCholate\r\n3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid\r\nCholic acid\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Bile acid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00120\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate\r\nCholate\r\n3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid\r\nCholic acid\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-799","C00695","C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C"]
["O=[P@](OC[C@@]3([H])O[C@@]([H])(N1C=NC2=C1N([H])C(=O)N([H])C2=O)[C@]([H])(O[H])[C@]3([H])O[H])(O[P@](=O)(O[P](=O)(O[H])O[H])O[H])O[H]","Compound Number 592",14,1.718,60.07,0.533,"Purine metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00230\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","XTP\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Purine metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00230\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","XTP\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00700","O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O"]
["[H]OC[C@@]3([H])O[C@]([H])(OC[C@]2([H])O[C@]([H])(O[C@]1([H])[C@@]([H])(CO[H])O[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H]","Compound Number 602",15,1.589,63.748,0.542,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Panose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00713","OC[C@H]1O[C@H](OCC2O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |w:16.16|"]
["[H]N([H])C[C@@]3([H])O[C@]([H])(O[C@]2([H])[C@]([H])(C[C@@]([H])(N([H])[H])[C@]([H])(O[C@@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(N([H])[H])[C@@]1([H])O[H])[C@@]2([H])O[H])N([H])[H])[C@]([H])(N([H])[H])[C@@]([H])(O[H])[C@]3([H])O[H]","Compound Number 681",16,0.309,62.872,0.529,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Kanamycin B\r\nBekanamycin\r\nNebramycin factor 5\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-14880","C00825","NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O"]
["[H]N([H])C[C@]4([H])O[C@]([H])(O[C@]3([H])[C@@]([H])(CO[H])O[C@@]([H])(O[C@]1([H])[C@@]([H])(O[H])[C@@]([H])(C[C@]([H])(N([H])[H])[C@@]1([H])O[C@@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])N([H])[H])N([H])[H])[C@]3([H])O[H])[C@]([H])(N([H])[H])[C@@]([H])(O[H])[C@]4([H])O[H]","Compound Number 688",17,1.254,74.431,0.573,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Paromomycin\r\nAminosidin\r\nCatenulin\r\nHydroxymycin\r\nMonomycin A\r\nZygomycin A1\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-758","C00832","NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O"]
["C/C1=C/N(C(=O)N([H])C1=O)[C@@]3([H])C[C@]([H])(O[H])[C@@]([H])(CO[P@](=O)(O[P@](=O)(O[C@@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])O[H])O[H])O3","Compound Number 693",18,0.96,63.748,0.521,"Nucleotide sugars metabolism\r\nStreptomycin biosynthesis\r\nPolyketide sugar unit biosynthesis\r\nBiosynthesis of vancomycin group antibiotics\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\nmap00521\r\nmap00523\r\nmap01055\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dTDP-glucose\r\ndTDP-D-glucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Nucleotide sugars metabolism\r\nStreptomycin biosynthesis\r\nPolyketide sugar unit biosynthesis\r\nBiosynthesis of vancomycin group antibiotics\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\nmap00521\r\nmap00523\r\nmap01055\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dTDP-glucose\r\ndTDP-D-glucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00842","Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=O"]
["O=[P@@](OC[C@@]3([H])O[C@@]([H])(N1C=NC=2C(=NC=NC1=2)N([H])[H])[C@]([H])(O[H])[C@]3([H])O[H])(O[P@@](=O)(OC[C@@]5([H])O[C@@]([H])([N+]4=CC=CC(=C4)C(=O)O[H])[C@]([H])(O[H])[C@]5([H])O[H])O[H])O[H]","Compound Number 705",19,1.422,73.38,0.56,"Nicotinate and nicotinamide metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00760\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Deamino-NAD+\r\nDeamido-NAD+\r\nDeamido-NAD\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Nicotinate and nicotinamide metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00760\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Deamino-NAD+\r\nDeamido-NAD+\r\nDeamido-NAD\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00857","Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(O)=O)[C@@H](O)[C@H]1O"]
["[H]OC[C@@]3([H])O[C@]([H])(OC[C@@]1([H])O[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[C@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H]","Compound Number 723",20,1.664,65.674,0.562,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Galactomannan\r\nGalactomannoglycan\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00883","OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O"]
["O=C2C=1N=CN(C=1/N=C(/N([H])[H])N2[H])[C@]4([H])O[C@]([H])(CO[P@@](=O)(O[P@@](=O)(O[C@@]3([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H])[C@@]([H])(O[H])[C@@]4([H])O[H]","Compound Number 797",21,2.346,65.849,0.536,"Fructose and mannose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-D-mannuronate\r\nGDP-D-mannuronic acid\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Fructose and mannose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-D-mannuronate\r\nGDP-D-mannuronic acid\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C00976","Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)C(O)=O)[C@@H](O)[C@H]1O"]
["O=[P@@](O[C@@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@@]([H])(C1)O[H])(O[P@](=O)(OC[C@@]3([H])O[C@@]([H])(N2C=CC(=O)N([H])C2=O)[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H]","Compound Number 818",22,2.081,63.923,0.54,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-2-deoxyglucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C01009","OC[C@H]1O[C@@H](C[C@@H](O)[C@@H]1O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O"]
["CC(=O)N([H])[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@]1([H])O[P@](=O)(O[P@@](=O)(OC[C@@]3([H])O[C@@]([H])(N2C=CC(=O)N([H])C2=O)[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H]","Compound Number 943",23,1.348,68.651,0.551,"Aminosugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00530\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-N-acetyl-D-mannosamine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Aminosugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00530\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-N-acetyl-D-mannosamine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C01170","CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O"]
["O=[P@](OC[C@@]1([H])O[C@]([H])(C[C@]1([H])O[H])N2C=NC3=C2N([H])C(=O)N([H])C3=O)(O[P@@](=O)(O[P](=O)(O[H])O[H])O[H])O[H]","Compound Number 1077",24,0.635,57.968,0.506,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dXTP\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C01348","O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1cnc2c1[nH]c(=O)[nH]c2=O"]
["[H]OC[C@@]4([H])O[C@]([H])(OC[C@@]3([H])O[C@]([H])(OC[C@@]2([H])O[C@]([H])(O[C@@]1(O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]1([H])O[H])CO[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]4([H])O[H]","Compound Number 1221",25,1.993,72.855,0.54,"Galactose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00052\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Stachyose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Galactose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00052\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Stachyose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C01613","OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O[C@]4(CO)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O"]
["O=[P@@](O[C@@]1([H])OC[C@@](CO[H])(O[H])[C@@]1([H])O[H])(O[P@@](=O)(OC[C@@]3([H])O[C@@]([H])(N2C=CC(=O)N([H])C2=O)[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H]","Compound Number 1230",26,1.056,66.725,0.588,"Nucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-apiose\r\nUDP-D-apiose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Nucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-apiose\r\nUDP-D-apiose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C01623","OC[C@@]1(O)CO[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1O"]
["C[C@]([H])(CCCC(C)(C)O[H])[C@@]2([H])CC[C@@]1([H])C(CCC[C@]12C)=C/C=C3/C[C@]([H])(C[C@]([H])(O[H])C3=C)O[H]","Compound Number 1272",27,2.268,63.923,0.505,"Biosynthesis of steroids\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00100\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Calcitriol\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Biosynthesis of steroids\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00100\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Calcitriol\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-92","C01673","C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@]1(C)CCC\\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C"]
["[H]N([H])[C@@]2([H])C[C@@]([H])(N([H])[H])[C@]([H])(O[C@@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(N([H])[H])[C@@]1([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[C@@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])N([H])[H]","Compound Number 1362",28,1.442,63.222,0.536,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Kanamycin C\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C01823","N[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N"]
["[H]OC[C@@]3([H])O[C@]([H])(O[C@]2([H])[C@@]([H])(CO[H])O[C@]([H])(O[C@]1([H])[C@@]([H])(CO[H])O[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H]","Compound Number 1368",29,1.309,63.222,0.531,"ABC transporters - General\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map02010\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Maltotriose\r\nAmylotriose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","ABC transporters - General\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map02010\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Maltotriose\r\nAmylotriose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C01835","OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"]
["O=C(C[C@]([H])(O[H])C[C@]([H])(O[H])CC[C@]2([H])[C@]1([H])C(=C[C@@]([H])(O[H])C[C@]1([H])OC(=O)[C@](C)([H])CC)C=C[C@@]2(C)[H])O[H]","Compound Number 1375",30,1.947,65.674,0.547,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Pravastatin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C01844","[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC |c:6,9|"]
["C[C@]([H])(CCC(=O)N([H])CC(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@]([H])(O[H])C[C@]1([H])C[C@]([H])(O[H])CC[C@]1(C)[C@@]2([H])C[C@]([H])(O[H])[C@]34C","Compound Number 1428",31,1.665,68.476,0.549,"Bile acid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00120\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Glycocholate\r\nGlycocholic acid\r\n3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Bile acid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00120\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Glycocholate\r\nGlycocholic acid\r\n3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C01921","[H][C@@](C)(CCC(=O)NCC(O)=O)C1CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C"]
["[H]OC[C@@]4([H])O[C@@]([H])(O[C@]3([H])[C@@]([H])(CO[H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO[H])O[C@@]([H])(O[C@]1([H])[C@@]([H])(CO[H])O[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H]","Compound Number 1494",32,2.099,72.154,0.538,"Starch and sucrose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00500\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cellotetraose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Starch and sucrose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00500\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cellotetraose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C02013","OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)OC(O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"]
["[H]OC[C@@]3([H])O[C@]([H])(OC[C@@]2([H])O[C@]([H])(OC[C@@]1([H])O[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H]","Compound Number 1598",33,2.339,65.499,0.553,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Isomaltotriose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C02160","OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3OC(O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"]
["C[C@]3([H])O[C@]([H])(O[P@@](=O)(O[P@@](=O)(OC[C@@]2([H])O[C@@]([H])(N1C=CC(=O)N([H])C1=O)[C@]([H])(O[H])[C@]2([H])O[H])O[H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H]","Compound Number 1623",34,1.83,66.55,0.567,"Nucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-L-rhamnose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Nucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-L-rhamnose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C02199","C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@H](O)[C@H]1O"]
["O=[P@@](O[C@@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])N([H])[H])(O[P@@](=O)(OC[C@@]3([H])O[C@@]([H])(N2C=CC(=O)N([H])C2=O)[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H]","Compound Number 1624",35,2.145,64.273,0.532,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-glucosamine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C02200","N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O"]
["C[C@@]([H])(CCC(=O)N([H])CO[S](=O)(=O)O[H])[C@]1([H])CC[C@]2([H])[C@@]1(C)[C@@]([H])(O[H])C[C@@]4([H])[C@@]2([H])[C@]([H])(O[H])C[C@@]3([H])C[C@]([H])(O[H])CC[C@]34C","Compound Number 1668",36,1.554,67.951,0.534,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Choloyl-taurine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C02258","[H][C@@]12CCC(C(C)CCC(=O)NCOS(O)(=O)=O)C1(C)[C@@H](O)C[C@@]1([H])C2[C@H](O)CC2C[C@H](O)CCC12C"]
["O=C2C=1N=CN(C=1/N=C(/N([H])[H])N2[H])[C@]4([H])O[C@]([H])(CO[P@@](=O)(O[P@](=O)(O[C@@]3([H])O[C@@]([H])(CO[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H])O[H])O[H])[C@@]([H])(O[H])[C@@]4([H])O[H]","Compound Number 1682",37,2.625,67.951,0.553,"Ascorbate and aldarate metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00053\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-L-galactose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Ascorbate and aldarate metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00053\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-L-galactose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C02280","Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H]1O"]
["O=[P@](OC[C@@]2([H])O[C@@]([H])(N1C=CC(=O)N([H])C1=O)[C@]([H])(O[H])[C@]2([H])O[H])(O[P@@](=O)(O[C@@]3([H])O[C@@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])O[H])O[H]","Compound Number 1713",38,0.553,65.849,0.551,"Nucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-L-iduronate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Nucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-L-iduronate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C02330","O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O"]
["O=[P@](O[C@@]1([H])O[C@]([H])(CO[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])N([H])[H])(O[P@](=O)(OC[C@@]3([H])O[C@@]([H])(N2C=CC(=O)N([H])C2=O)[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H]","Compound Number 1797",39,2.526,63.573,0.53,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-galactosamine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C02467","N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O"]
["C[C@]([H])(CCC(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@]([H])(O[H])C[C@]1([H])C[C@]([H])(O[H])CC[C@]1(C)[C@@]2([H])CC[C@]34C","Compound Number 1844",40,1.367,64.974,0.558,"Bile acid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00120\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Chenodeoxycholate\r\nChenodeoxycholic acid\r\n3alpha,7alpha-Dihydroxy-5beta-cholanic acid\r\nChenodiol\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Bile acid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00120\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Chenodeoxycholate\r\nChenodeoxycholic acid\r\n3alpha,7alpha-Dihydroxy-5beta-cholanic acid\r\nChenodiol\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-797","C02528","C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C"]
["C[C@]12C[C@]([H])(O[H])[C@@]([H])(C[C@@]1([H])C(=O)C=C4[C@]2([H])CC[C@]3(C)[C@]([H])(CC[C@@]34O[H])[C@](C)(O[H])[C@]([H])(O[H])CCC(C)(C)O[H])O[H]","Compound Number 1907",41,0.177,68.301,0.545,"Insect hormone biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00981\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","20-Hydroxyecdysone\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Insect hormone biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00981\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","20-Hydroxyecdysone\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C02633","[H][C@@]12C[C@@H](O)[C@@H](O)C[C@]1(C)C1CC[C@]3(C)[C@H](CC[C@@]3(O)C1=CC2=O)C(C)(O)[C@H](O)CCC(C)(C)O |c:23|"]
["O=[P](OC[C@@]4([H])O[C@@]([H])(N1C=NC2=C1N=CN(/C2=N/[H])[C@@]3([H])O[C@]([H])(CO[P](=O)(O[H])O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])[C@]([H])(O[H])[C@]4([H])O[H])(O[H])O[H]","Compound Number 1979",42,0.786,66.024,0.558,"Histidine metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00340\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Phosphoribosyl-AMP\r\nN1-(5-Phospho-D-ribosyl)-AMP\r\n1-(5-Phosphoribosyl)-AMP\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Histidine metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00340\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Phosphoribosyl-AMP\r\nN1-(5-Phospho-D-ribosyl)-AMP\r\n1-(5-Phosphoribosyl)-AMP\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C02741","O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1ncn([C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)c2=N"]
["CC(=O)N([H])[C@@]3([H])[C@]([H])(O[H])[C@]([H])(CO[H])O[C@@]([H])(O[C@]2([H])[C@]([H])(C[C@@]([H])(N([H])[H])[C@]([H])(O[C@@]1([H])O[C@@]([H])(CN([H])[H])[C@]([H])(C[C@]1([H])N([H])[H])O[H])[C@@]2([H])O[H])N([H])[H])[C@@]3([H])O[H]","Compound Number 2167",43,0.633,64.448,0.523,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","N3'-Acetyltobramycin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C03010","CC(=O)NC1C(O)C(CO)OC(OC2C(N)CC(N)C(OC3OC(CN)C(O)CC3N)C2O)C1O"]
["O=[P](O[C@@]1([H])C[C@@]([H])(O[C@]1([H])CO[H])N4CN([H])C[C@@]3([H])[C@@]2([H])CN([H])CN([C@@]2([H])[C@]34[H])[C@@]5([H])C[C@]([H])(O[P](=O)(O[H])O[H])[C@@]([H])(CO[H])O5)(O[H])O[H]","Compound Number 2235",44,1.127,66.725,0.537,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cyclobutadipyrimidine\r\nCyclobutadipyrimidine (in DNA)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C03103","OC[C@H]1O[C@H](C[C@@H]1OP(O)(O)=O)N1CNCC2C3CNCN([C@H]4C[C@H](OP(O)(O)=O)[C@@H](CO)O4)C3C12 |r|"]
["O=[P@@](OC[C@@]3([H])O[C@@]([H])(N1C=NC=2C(=NC=NC1=2)N([H])[H])[C@]([H])(O[P](=O)(O[H])O[H])[C@]3([H])O[H])(O[P@](=O)(OC[C@@]4([H])O[C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[H])O[H])O[H]","Compound Number 2338",45,1.609,69.527,0.558,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","ADPribose 2'-phosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C03246","Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1OP(O)(O)=O"]
["O=[P](O[C@]3([H])[C@@]([H])(O[H])[C@@]([H])(O[C@]2([H])[C@]([H])(C[C@@]([H])(N([H])[H])[C@]([H])(O[C@@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(N([H])[H])[C@@]1([H])O[H])[C@@]2([H])O[H])N([H])[H])O[C@]([H])(CN([H])[H])[C@@]3([H])O[H])(O[H])O[H]","Compound Number 2354",46,2.475,67.951,0.562,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Kanamycin A 3'-phosphate\r\nKanamycin 3'-phosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C03281","NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O"]
["C[C@]3([H])O[C@@]([H])(O[P@@](=O)(O[P@@](=O)(OC[C@@]1([H])O[C@]([H])(C[C@]1([H])O[H])N2/C=C(/C)C(=O)N([H])C2=O)O[H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H]","Compound Number 2378",47,1.4,66.9,0.563,"Novobiocin biosynthesis\r\nNucleotide sugars metabolism\r\nStreptomycin biosynthesis\r\nPolyketide sugar unit biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00401\r\nmap00520\r\nmap00521\r\nmap00523\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dTDP-6-deoxy-L-mannose\r\ndTDP-L-rhamnose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Novobiocin biosynthesis\r\nNucleotide sugars metabolism\r\nStreptomycin biosynthesis\r\nPolyketide sugar unit biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00401\r\nmap00520\r\nmap00521\r\nmap00523\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dTDP-6-deoxy-L-mannose\r\ndTDP-L-rhamnose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C03319","C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)[C@H]1O"]
["[H]OC[C@@]3([H])O[C@]([H])(O[C@]2([H])[C@@]([H])(CO[H])O[C@]([H])(OC[C@@]1([H])O[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H]","Compound Number 2404",48,1.719,62.347,0.53,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","6-alpha-Maltosylglucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C03367","OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](OC[C@H]3OC(O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"]
["C[C@]([H])(CCC(=O)N([H])CC[S](=O)(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])CC[C@]1([H])C[C@@]([H])(CC[C@]1(C)[C@@]2([H])CC[C@]34C)O[S](=O)(=O)O[H]","Compound Number 2581",49,2.249,69.877,0.523,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Taurolithocholate sulfate\r\n3alpha-Sulfatolithocholyltaurine\r\nTaurolithocholic acid 3-sulfate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C03642","[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS(O)(=O)=O"]
["O=[P@](OC[C@@]3([H])O[C@@]([H])(N1C=NC=2C(=NC=NC1=2)N([H])[H])[C@]([H])(O[H])[C@]3([H])O[H])(O[P@](=O)(OC[C@@]([H])(O[P](=O)(O[H])O[H])C(=O)O[H])O[H])O[H]","Compound Number 2604",50,1.918,64.448,0.53,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","3-(ADP)-2-phosphoglycerate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C03673","Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OCC(OP(O)(O)=O)C(O)=O)[C@@H](O)[C@H]1O"]
["O=C(CO[H])N([H])[C@]1([H])[C@@]([H])(O[H])C[C@@](O[C@@]1([H])[C@]([H])(O[H])[C@]([H])(O[H])CO[H])(O[P@@](=O)(OC[C@@]3([H])O[C@@]([H])(N2C=CC(=NC2=O)N([H])[H])[C@]([H])(O[H])[C@]3([H])O[H])O[H])C(=O)O[H]","Compound Number 2619",51,1.327,70.403,0.548,"Aminosugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00530\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CMP-N-glycoloylneuraminate\r\nCMP-N-glycolylneuraminate\r\nCMP-NeuNGc\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Aminosugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00530\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CMP-N-glycoloylneuraminate\r\nCMP-N-glycolylneuraminate\r\nCMP-NeuNGc\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C03691","[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(=O)CO)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C(O)=O)[C@H](O)[C@H](O)CO"]
["CN([H])[C@]3([H])[C@]([H])(O[C@@]1([H])[C@@]([H])(O[C@](C)([H])[C@]1(O[H])C=O)O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(N([H])C(=N[H])N([H])[H])[C@@]([H])(O[H])[C@]2([H])N([H])C(=N[H])N([H])[H])O[C@@]([H])(CO[H])[C@]([H])(O[H])[C@@]3([H])O[P](=O)(O[H])O[H]","Compound Number 2642",52,1.938,73.03,0.544,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Streptomycin 3''-phosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C03731","CN[C@@H]1[C@@H](O[C@@H](CO)[C@H](O)[C@H]1OP(O)(O)=O)O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)C=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N"]
["O=[P@](O[H])(O[P@@](=O)(OC[C@@]2([H])O[C@@]([H])(N1C=CC(=O)N([H])C1=O)[C@]([H])(O[H])[C@]2([H])O[H])O[H])O[C@@]3([H])O[C@]([H])([C@]([H])(O[H])[C@@]3([H])O[H])[C@]([H])(O[H])CO[H]","Compound Number 2643",53,1.672,64.799,0.543,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-alpha-D-galacto-1,4-furanose\r\nUDP-D-galacto-1,4-furanose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C03733","[H][C@]1(O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)[C@H](O)CO"]
["O=[S](=O)(O/C1=C/C(=C/C=C1/O[H])C=3OC2=CC(O[S](=O)(=O)O[H])=CC(O[H])=C2C(=O)C=3O[S](=O)(=O)O[H])O[H]","Compound Number 2748",54,1.707,61.121,0.53,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Quercetin 3,3',7-trissulfate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C03897","Oc1ccc(cc1OS(O)(=O)=O)-c1oc2cc(OS(O)(=O)=O)cc(O)c2c(=O)c1OS(O)(=O)=O"]
["C[C@@]3([H])O[C@]([H])(O[P@@](=O)(O[P@@](=O)(OC[C@@]2([H])O[C@@]([H])(N1C=CC(=O)N([H])C1=O)[C@]([H])(O[H])[C@]2([H])O[H])O[H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])C3=O","Compound Number 2872",55,2.073,64.448,0.544,"Nucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-4-dehydro-6-deoxy-D-glucose\r\nUDP-4-keto-6-deoxy-D-glucose\r\nUDP-4-oxo-6-deoxy-D-glucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Nucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-4-dehydro-6-deoxy-D-glucose\r\nUDP-4-keto-6-deoxy-D-glucose\r\nUDP-4-oxo-6-deoxy-D-glucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04089","C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)C1=O"]
["O=[P@](OC[C@@]2([H])O[C@@]([H])(N1C=CC(=NC1=O)N([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])(OC[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])CC(=O)C(=O)O[H])O[H]","Compound Number 2892",56,0.707,66.375,0.554,"Lipopolysaccharide biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00540\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CMP-3-deoxy-D-manno-octulosonate\r\nCMP-KDO\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Lipopolysaccharide biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00540\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CMP-3-deoxy-D-manno-octulosonate\r\nCMP-KDO\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04121","Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OCC(O)C(O)C(O)C(O)CC(=O)C(O)=O)[C@@H](O)[C@H]2O)c(=O)n1"]
["CN([H])[C@]3([H])[C@]([H])(O[C@@]1([H])[C@@]([H])(O[C@](C)([H])[C@]1(O[H])CO[H])O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(N([H])C(=N[H])N([H])[H])[C@@]([H])(O[H])[C@]2([H])N([H])C(=N[H])N([H])[H])O[C@@]([H])(CO[H])[C@]([H])(O[H])[C@@]3([H])O[P](=O)(O[H])O[H]","Compound Number 2934",57,2.107,72.855,0.532,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Dihydrostreptomycin 3''-phosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04191","CN[C@@H]1[C@@H](O[C@@H](CO)[C@H](O)[C@H]1OP(O)(O)=O)O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)CO)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N"]
["C[C@@]34CC[C@@]2([H])C1=CC=C(C=C1CC[C@]2([H])[C@]3([H])CC[C@@]4([H])O[H])O[C@]5([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 3012",58,1.774,64.799,0.552,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Estradiol-17alpha 3-D-glucuronoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04300","CC12CCC3C(CCc4cc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)ccc34)C1CC[C@H]2O"]
["CN([H])[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(CO[H])O[C@@]1([H])O[C@@]2([H])[C@@]([H])(O[C@](C)([H])[C@]2(O[H])CO[P](=O)(O[H])O[H])O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(N([H])C(=N[H])N([H])[H])[C@@]([H])(O[H])[C@]3([H])N([H])C(=N[H])N([H])[H]","Compound Number 3069",59,1.664,72.504,0.534,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Dihydrostreptomycin 3'alpha-phosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04382","CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)COP(O)(O)=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N"]
["CC(=O)N([H])[C@]1([H])[C@@]([H])(O[H])[C@@]([H])(O[S](=O)(=O)O[H])[C@@]([H])(CO[H])O[C@]1([H])O[P@](=O)(O[P@@](=O)(OC[C@@]3([H])O[C@@]([H])(N2C=CC(=O)N([H])C2=O)[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H]","Compound Number 3094",60,1.496,74.431,0.584,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-N-acetyl-D-galactosamine 4-sulfate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04426","CC(=O)N[C@@H]1[C@@H](O)[C@@H](OS(O)(=O)=O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O"]
["CN([H])[C@]3([H])[C@]([H])(O[C@@]1([H])[C@@]([H])(O[C@](C)([H])[C@]1(O[H])CO[H])O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[P](=O)(O[H])O[H])[C@]([H])(N([H])C(=N[H])N([H])[H])[C@@]([H])(O[H])[C@]2([H])N([H])C(=N[H])N([H])[H])O[C@@]([H])(CO[H])[C@]([H])(O[H])[C@@]3([H])O[P](=O)(O[H])O[H]","Compound Number 3118",61,2.064,74.431,0.521,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Dihydrostreptomycin 6,3''-bis-phosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04458","CN[C@@H]1[C@@H](O[C@@H](CO)[C@H](O)[C@H]1OP(O)(O)=O)O[C@H]1[C@@H](O[C@@H](C)[C@]1(O)CO)O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](NC(N)=N)[C@@H](O)[C@@H]1NC(N)=N"]
["C[C@]5([H])O[C@@]([H])(OC[C@@]4([H])O[C@@]([H])(O/C2=C/C1=C(\\O[H])C=C(O[H])C=C1/[O+]=C2/C3=C/C=C(/O[H])C(=C3)O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 3142",62,0.844,71.454,0.564,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cyanidin-3-rhamnoglucoside chloride\r\nCyanidin 3-rutinoside\r\nKeracyanin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04491","[Cl-].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]
["O=C2C=1N=CN(C=1/N=C(/N([H])[H])N2[H])[C@]3([H])O[C@]([H])(CO[P@@](=O)(O[P@](=O)(O[P](=O)(O[H])O[H])O[H])O[H])[C@@]([H])(O[P@@](=O)(O[P](=O)(O[H])O[H])O[H])[C@@]3([H])O[H]","Compound Number 3143",63,2.368,68.651,0.556,"Purine metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00230\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Guanosine 3'-diphosphate 5'-triphosphate\r\nGuanosine 5'-triphosphate,3'-diphosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Purine metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00230\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Guanosine 3'-diphosphate 5'-triphosphate\r\nGuanosine 5'-triphosphate,3'-diphosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04494","Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H]1O"]
["C[C@@]3([H])O[C@@]([H])(O[P@](=O)(O[P@@](=O)(OC[C@@]2([H])O[C@@]([H])(N1C=CC(=O)N([H])C1=O)[C@]([H])(O[H])[C@]2([H])O[H])O[H])O[H])[C@]([H])(N([H])C(C)=O)[C@@]([H])(O[H])C3=O","Compound Number 3219",64,2.056,66.2,0.539,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-2-acetamido-4-dehydro-2,6-dideoxyglucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04613","C[C@H]1O[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)C1=O"]
["C[C@@]3([H])O[C@@]([H])(O[P@](=O)(O[P@](=O)(OC[C@@]2([H])O[C@@]([H])(N1C=CC(=O)N([H])C1=O)[C@]([H])(O[H])[C@]2([H])O[H])O[H])O[H])[C@]([H])(N([H])C(C)=O)[C@@]([H])(O[H])[C@]3([H])N([H])[H]","Compound Number 3231",65,0.541,67.075,0.524,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-2-acetamido-4-amino-2,4,6-trideoxyglucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04630","C[C@H]1O[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1N"]
["C[C@@]([H])(CCC(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])C(=O)C[C@]1([H])C[C@]([H])(O[H])CC[C@]1(C)[C@@]2([H])C[C@]([H])(O[H])[C@]34C","Compound Number 3243",66,1.839,63.047,0.538,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04643","[H][C@](C)(CCC(O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])C(=O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C"]
["C[C@@]([H])(CCC(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@]([H])(O[H])C[C@]1([H])C[C@]([H])(O[H])CC[C@]1(C)[C@@]2([H])C[C@@]([H])(O[H])[C@]34C","Compound Number 3256",67,1.251,63.397,0.537,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","3alpha,7alpha,12beta-Trihydroxy-5beta-cholanate\r\n3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04661","[H][C@](C)(CCC(O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C"]
["[H]OC[C@@]4([H])O[C@@]([H])(O[H])[C@@]([H])(O[C@@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]1([H])O[C@@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@]3([H])O[H])[C@@]([H])(O[H])[C@]4([H])O[H]","Compound Number 3392",68,1.745,71.454,0.528,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","1,3-alpha-D-Mannosyl-1,2-alpha-D-mannosyl-1,2-alpha-D-mannosyl-D- mannose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04861","OC[C@H]1O[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O"]
["O=C(N([H])[H])C=1N=CN(C=1/N=C/N([H])CC(=O)[C@]([H])(O[H])[C@]([H])(O[H])CO[P](=O)(O[H])O[H])[C@]2([H])O[C@]([H])(CO[P](=O)(O[H])O[H])[C@@]([H])(O[H])[C@@]2([H])O[H]","Compound Number 3434",69,2.195,66.2,0.535,"Histidine metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00340\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D- ribosyl)-4-imidazolecarboxamide\r\n5-[(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5- phosphoribosyl)imidazole-4-carboxamide\r\nPhosphoribulosyl-formimino-AICAR-phosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Histidine metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00340\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D- ribosyl)-4-imidazolecarboxamide\r\n5-[(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5- phosphoribosyl)imidazole-4-carboxamide\r\nPhosphoribulosyl-formimino-AICAR-phosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C04916","NC(=O)c1ncn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c1\\N=C\\NCC(=O)[C@H](O)[C@H](O)COP(O)(O)=O"]
["C[C@]4([H])O[C@@]([H])(O[P@@](=O)(O[P@](=O)(OC[C@@]3([H])O[C@@]([H])(N1C=NC2=C1N=C(N([H])C2=O)N([H])[H])[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])C4=O","Compound Number 3641",70,2.312,67.25,0.553,"Nucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-4-dehydro-6-deoxy-L-mannose\r\nGDP-4-oxo-6-deoxy-L-mannose\r\nGDP-4-oxo-L-rhamnose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Nucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","GDP-4-dehydro-6-deoxy-L-mannose\r\nGDP-4-oxo-6-deoxy-L-mannose\r\nGDP-4-oxo-L-rhamnose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C05344","C[C@@H]1O[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@H](O)[C@H](O)C1=O"]
["C/C2=N/C=C(/C[N+]=1C(C)=C(CCO[P@@](=O)(O[P](=O)(O[H])O[H])O[H])[S]C=1[C@@]([H])(O[H])CCC(=O)O[H])C(=N2)N([H])[H]","Compound Number 3656",71,1.786,63.573,0.513,"Citrate cycle (TCA cycle)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00020\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","3-Carboxy-1-hydroxypropyl-ThPP\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Citrate cycle (TCA cycle)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00020\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","3-Carboxy-1-hydroxypropyl-ThPP\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C05381","Cc1ncc(C[n+]2c(C)c(CCOP(O)(=O)OP(O)(O)=O)sc2C(O)CCC(O)=O)c(N)n1"]
["[H]OC[C@@]3([H])O[C@]([H])(OC[C@@]2([H])O[C@]([H])(OC[C@@]1([H])O[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H]","Compound Number 3668",72,0.204,62.697,0.53,"Galactose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00052\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose\r\nD-Gal-alpha1->6D-Gal-alpha1->6D-Glucose\r\nManninotriose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Galactose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00052\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose\r\nD-Gal-alpha1->6D-Gal-alpha1->6D-Glucose\r\nManninotriose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C05404","OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3OC(O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |w:14.14|"]
["C[C@]12CC[C@]([H])(C[C@@]1([H])C[C@@]([H])(O[H])[C@]4([H])[C@]2([H])CC[C@]3(C)[C@]([H])(CC[C@@]34[H])[C@@](C)([H])CCC(=O)N([H])CC[S](=O)(=O)O[H])O[H]","Compound Number 3713",73,1.818,68.126,0.53,"Bile acid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00120\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Taurochenodeoxycholate\r\nChenodeoxycholoyltaurine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Bile acid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00120\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Taurochenodeoxycholate\r\nChenodeoxycholoyltaurine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C05465","[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS(O)(=O)=O"]
["C[C@@]([H])(CCC[C@]([H])(CO[H])CO[S](=O)(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@]([H])(O[H])C[C@@]1([H])C[C@]([H])(O[H])CC[C@@]1(C)[C@@]2([H])C[C@]([H])(O[H])[C@]34C","Compound Number 3716",74,0.183,71.103,0.549,"Bile acid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00120\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","5beta-Cyprinolsulfate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Bile acid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00120\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","5beta-Cyprinolsulfate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C05468","CC(CCCC(CO)COS(O)(=O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CCC4(C)C3C[C@H](O)C12C"]
["C[C@]34CC[C@]2([H])C1=CC=C(C=C1CC[C@@]2([H])[C@]3([H])CC[C@]4([H])O[H])O[C@]5([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 3744",75,1.639,62.347,0.522,"Androgen and estrogen metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00150\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Estradiol-17beta 3-glucuronide\r\n17beta-Estradiol 3-(beta-D-glucuronide)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Androgen and estrogen metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00150\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Estradiol-17beta 3-glucuronide\r\n17beta-Estradiol 3-(beta-D-glucuronide)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C05503","[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc21"]
["C[C@]35CC[C@]2([H])C1=CC=C(C=C1CC[C@@]2([H])[C@]3([H])C[C@@]([H])(O[C@]4([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@]5([H])O[H])O[H]","Compound Number 3745",76,1.892,66.2,0.565,"Androgen and estrogen metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00150\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","16-Glucuronide-estriol\r\n16alpha,17beta-Estriol 16-(beta-D-glucuronide)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Androgen and estrogen metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00150\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","16-Glucuronide-estriol\r\n16alpha,17beta-Estriol 16-(beta-D-glucuronide)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C05504","[H][C@]12CC[C@]3(C)[C@@H](O)[C@@H](C[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O"]
["C[C@]5([H])O[C@@]([H])(OC[C@@]4([H])O[C@@]([H])(O/C2=C(/OC1=CC(O[H])=CC(O[H])=C1C2=O)C3=C/C=C(/O[H])C(O[H])=C3)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 3815",77,1.766,72.329,0.566,"Flavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00941\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Rutin\r\n3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]- 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one\r\nQuercetin 3-rutinoside\r\nRutoside\r\nPhytomelin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Flavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00941\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Rutin\r\n3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]- 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one\r\nQuercetin 3-rutinoside\r\nRutoside\r\nPhytomelin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C05625","C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]
["C[C@]12CC[C@]([H])(C[C@@]1([H])C[C@]([H])(O[H])[C@]4([H])[C@]2([H])C[C@]([H])(O[H])[C@]3(C)[C@]([H])(CC[C@@]34[H])[C@@](C)([H])CCC(=O)N([H])CC[P](=O)(O[H])O[H])O[H]","Compound Number 3863",78,2.314,67.426,0.518,"Aminophosphonate metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00440\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","2-Aminoethylphosphocholate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Aminophosphonate metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00440\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","2-Aminoethylphosphocholate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C05683","[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])C(O)C2)[C@H](C)CCC(=O)NCCP(O)(O)=O |r|"]
["C/C1=C/N(C(=O)N([H])C1=O)[C@@]3([H])C[C@]([H])(O[H])[C@@]([H])(CO[P@@](=O)(O[P@@](=O)(O[C@@]2([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])O[H])O[H])O3","Compound Number 4115",79,2.149,63.923,0.517,"Nucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dTDP-D-glucuronate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Nucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dTDP-D-glucuronate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C06017","Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)O2)c(=O)[nH]c1=O |r|"]
["O=[P@](OC[C@@]3([H])O[C@@]([H])(N1C=NC=2C(=NC=NC1=2)N([H])[H])[C@]([H])(O[H])[C@]3([H])O[H])(O[P@@](=O)(O[C@@]4([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[H])O[H])O[H]","Compound Number 4253",80,1.247,65.324,0.525,"Fructose and mannose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","ADP-mannose\r\nAPD-D-mannose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Fructose and mannose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","ADP-mannose\r\nAPD-D-mannose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C06192","Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O"]
["O=[P@](OC[C@@]2([H])O[C@@]([H])(N1C=CC(=O)N([H])C1=O)[C@]([H])(O[H])[C@]2([H])O[H])(O[P@](=O)(O[P@@](=O)(O[P@@](=O)(OC[C@@]4([H])O[C@@]([H])(N3C=CC(=O)N([H])C3=O)[C@]([H])(O[H])[C@]4([H])O[H])O[H])O[H])O[H])O[H]","Compound Number 4259",81,1.339,73.03,0.516,"Pyrimidine metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00240\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","P1,P4-Bis(5'-uridyl) tetraphosphate\r\nUppppU\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Pyrimidine metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00240\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","P1,P4-Bis(5'-uridyl) tetraphosphate\r\nUppppU\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C06198","O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O"]
["[H]OC[C@@]3([H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO[H])O[C@@]([H])(O[C@]1([H])[C@@]([H])(CO[H])O[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H]","Compound Number 4275",82,1.53,63.222,0.532,"Starch and sucrose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00500\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cellotriose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Starch and sucrose metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00500\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cellotriose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C06219","OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"]
["O=[P@](OC[C@@]3([H])O[C@@]([H])(N1C=NC=2C(=NC=NC1=2)N([H])[H])[C@]([H])(O[H])[C@]3([H])O[H])(O[P@@](=O)(O[C@@]4([H])O[C@]([H])([C@@]([H])(O[H])CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[H])O[H])O[H]","Compound Number 4393",83,2.017,67.426,0.531,"Lipopolysaccharide biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00540\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","ADP-L-glycero-D-manno-heptose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Lipopolysaccharide biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00540\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","ADP-L-glycero-D-manno-heptose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C06398","Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O"]
["O=C2C=1N=CN(C=1/N=C(/N([H])[H])N2[H])[C@]3([H])O[C@]([H])(CO[P@@](=O)(O[P@](=O)(C[P](=O)(O[H])O[H])O[H])O[H])[C@@]([H])(O[H])[C@@]3([H])O[H]","Compound Number 4471",84,1.19,59.545,0.506,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","5'-Guanosyl-methylene-triphosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C06500","Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O"]
["C[C@@]1([H])O[C@@]([H])(CC(=O)C1=O)O[P@](=O)(O[P@@](=O)(OC[C@@]2([H])O[C@]([H])(C[C@]2([H])O[H])N3/C=C(/C)C(=O)N([H])C3=O)O[H])O[H]","Compound Number 4577",85,1.509,66.9,0.567,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dTDP-3,4-dioxo-2,6-dideoxy-D-glucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C06620","C[C@H]1O[C@@H](CC(=O)C1=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O"]
["C[C@]1([H])O[C@@]([H])(C[C@@]([H])(O[H])C1=O)O[P@@](=O)(O[P@@](=O)(OC[C@@]2([H])O[C@]([H])(C[C@]2([H])O[H])N3/C=C(/C)C(=O)N([H])C3=O)O[H])O[H]","Compound Number 4579",86,0.909,65.674,0.551,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dTDP-4-oxo-2,6-dideoxy-L-glucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C06622","C[C@@H]1O[C@@H](C[C@@H](O)C1=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O"]
["O=C(O[H])C4=CC(=O)C=3C(OCC([H])(O[H])CO/C2=C/C=CC=1OC(=CC(=O)C=12)C(=O)O[H])=CC=CC=3O4","Compound Number 4811",87,0.451,62.872,0.54,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cromolyn\r\nCromoglicic acid\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-170","C06928","OC(COc1cccc2oc(cc(=O)c12)C(O)=O)COc1cccc2oc(cc(=O)c12)C(O)=O"]
["C=C[C@@]2([H])[C@]([H])(O[C@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])O/C=C(/C(=O)OC)[C@@]2([H])C[C@]4([H])N([H])CCC=3/C=C(/O[H])C(O[H])=CC=34","Compound Number 5034",88,0.21,70.753,0.572,"Indole and ipecac alkaloid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00901\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Deacetylisoipecoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Indole and ipecac alkaloid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00901\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Deacetylisoipecoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C07304","[H][C@@]1(C[C@]2([H])C(=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]2([H])C=C)C(=O)OC)NCCc2cc(O)c(O)cc12 |c:5|"]
["C=C[C@@]2([H])[C@]([H])(O[C@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])O/C=C(/C(=O)OC)[C@@]2([H])C[C@@]4([H])N([H])CCC=3/C=C(/O[H])C(O[H])=CC=34","Compound Number 5036",89,2.212,67.426,0.529,"Indole and ipecac alkaloid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00901\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Deacetylipecoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Indole and ipecac alkaloid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00901\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Deacetylipecoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C07307","[H][C@]1(C[C@]2([H])C(=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]2([H])C=C)C(=O)OC)NCCc2cc(O)c(O)cc12 |c:5|"]
["C[C@@]4([H])C[C@]1([H])[C@](C)(C[C@]([H])(O[H])[C@@]3([Cl])[C@@]1([H])CCC2=CC(=O)C=C[C@]23C)[C@@]4(OC(=O)CC)C(=O)COC(=O)CC","Compound Number 5347",90,1.14,71.629,0.567,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Beclomethasone dipropionate\r\nBeclometasone dipropionate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-773","C07813","[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:36,t:32|"]
["CCC(/C1=C/C=C(/O[P](=O)(O[H])O[H])C=C1)=C(CC)C2=C/C=C(/O[P](=O)(O[H])O[H])C=C2","Compound Number 5504",91,2.578,60.946,0.53,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Diethylstilbestrol diphosphate\r\nFosfestrol\r\nDiethylstilbestrol bisphosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08145","CC\\C(c1ccc(OP(O)(O)=O)cc1)=C(\\CC)c1ccc(OP(O)(O)=O)cc1"]
["[H]OC[C@@]3([H])O[C@@]([H])(OC[C@@]2([H])O[C@]([H])(O[C@]1(CO[H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]1([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H]","Compound Number 5548",92,1.051,65.849,0.563,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside\r\nGentianose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08239","OC[C@H]1O[C@@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |r|"]
["[H]OC[C@@]4([H])O[C@]([H])(OC[C@@]3([H])O[C@]([H])(O[C@]2(CO[C@@]1([H])O[C@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(CO[H])[C@@]1([H])O[H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]4([H])O[H]","Compound Number 5551",93,1.519,70.578,0.517,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Lychnose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08242","OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO[C@H]4O[C@H](O)[C@H](O)[C@H](CO)[C@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|"]
["[H]OC[C@@]4([H])O[C@]([H])(OC[C@@]3([H])O[C@]([H])(OC[C@@]2([H])O[C@@](CO[H])(O[C@@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]4([H])O[H]","Compound Number 5557",94,1.597,71.103,0.517,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl- (2-1)-alpha-D-glucoside\r\nSesamose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08248","OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@@](CO)(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|"]
["N#C[C@@]([H])(O[C@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C3=C/C=C(/O[C@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C=C3","Compound Number 5644",95,0.717,64.448,0.553,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Proteacin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08339","OC[C@H]1O[C@@H](O[C@H](C#N)c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|"]
["O=[S](=O)([O-])OC[C@@]4([H])O[C@@]([H])(OC=3C=C2C[C@@]([H])(C(=O)O[H])[N+](=C/C=C1/C[C@@]([H])(N([H])C(=C1)C(=O)O[H])C(=O)O[H])C2=CC=3O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H]","Compound Number 5858",96,2.152,69.177,0.523,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Prebetanin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08567","O[C@H]1[C@H](O)[C@@H](COS([O-])(=O)=O)O[C@@H](Oc2cc3C[C@@H](C(O)=O)\\[N+](=C/C=C4C[C@@H](NC(=C\\4)C(O)=O)C(O)=O)c3cc2O)[C@@H]1O |r,c:29|"]
["C[C@]5([H])O[C@@]([H])(OC[C@@]4([H])O[C@@]([H])(O/C2=C/C1=C(\\O[H])C=C(O[H])C=C1/[O+]=C2/C3=C/C=C(/O[H])C(=C3)O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 5908",97,0.844,71.454,0.564,"Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cyanidin 3-O-rutinoside\r\nCyanidin 3-O-rhamnosylglucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cyanidin 3-O-rutinoside\r\nCyanidin 3-O-rhamnosylglucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08620","C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]
["[H]OC[C@@]5([H])O[C@@]([H])(O/C3=C/C2=C(\\O[C@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C=C(O[H])C=C2/[O+]=C3/C4=C/C=C(/O[H])C(=C4)O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]5([H])O[H]","Compound Number 5925",98,1.373,69.702,0.534,"Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cyanin\r\nCyanidin 3,5-di-O-glucoside\r\nCyanidin 3,5-O-diglucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cyanin\r\nCyanidin 3,5-di-O-glucoside\r\nCyanidin 3,5-O-diglucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08639","OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O"]
["[H]OC[C@@]5([H])O[C@@]([H])(O/C3=C/C2=C(\\O[C@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C=C(O[H])C=C2/[O+]=C3/C4=C/C=C(C=C4)O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]5([H])O[H]","Compound Number 6009",99,1.646,69.702,0.54,"Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Pelargonin\r\nPelargonidin 3,5-di-beta-D-glucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Pelargonin\r\nPelargonidin 3,5-di-beta-D-glucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08725","OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|"]
["O=C4[C@@]([H])(O[H])C[C@]3([H])C(=CC[C@@]2([H])[C@]1(C)C[C@@]([H])(O[H])[C@]([H])([C@@](C)(O[H])C(=O)C=CC(C)(C)O[H])[C@@]1(C)CC(=O)[C@@]23C)C4(C)C","Compound Number 6080",100,2.356,69.177,0.52,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cucurbitacin D\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08796","[H][C@@]12C[C@H](O)C(=O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@@H](O)[C@]([H])([C@@](C)(O)C(=O)\\C=C\\C(C)(C)O)[C@@]3(C)CC(=O)[C@@]21C |r,c:11|"]
["O=C4[C@@]([H])(O[H])C[C@]3([H])C(=CC[C@@]2([H])[C@]1(C)C[C@@]([H])(O[H])[C@]([H])([C@@](C)(O[H])C(=O)C[C@@]([H])(O[H])C(C)(C)O[H])[C@@]1(C)CC(=O)[C@@]23C)C4(C)C","Compound Number 6083",101,1.455,70.753,0.531,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cucurbitacin H\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08799","[H][C@@]12C[C@H](O)C(=O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@@H](O)[C@]([H])([C@@](C)(O)C(=O)CC(O)C(C)(C)O)[C@@]3(C)CC(=O)[C@@]21C |r,w:28.29,c:11|"]
["O=C4C(O[H])=C[C@]1([H])C(=CC[C@]3([H])[C@@]1(C)C(=O)C[C@]2(C)[C@]([H])([C@@]([H])(C[C@@]23C)O[H])[C@@](C)(O[H])C(=O)C=CC(C)(C)O[H])C4(C)C","Compound Number 6084",102,2.449,70.052,0.534,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cucurbitacin I\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08800","[H][C@@]12C=C(O)C(=O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@@H](O)[C@]([H])([C@@](C)(O)C(=O)\\C=C\\C(C)(C)O)[C@@]3(C)CC(=O)[C@@]21C |r,c:11,t:2|"]
["O=C4C(O[H])=C[C@]1([H])C(=CC[C@]2([H])[C@@]1(C)CC[C@@]3(C)[C@@]2(C)C[C@@]([H])(O[H])[C@]3([H])[C@@](C)(O[H])C(=O)C=CC(C)(C)O[H])C4(C)C","Compound Number 6091",103,1.86,69.177,0.532,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","11-Deoxocucurbitacin I\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08807","[H][C@@]12C=C(O)C(=O)C(C)(C)C1=CC[C@]1([H])[C@@]2(C)CC[C@]2(C)[C@]([H])([C@H](O)C[C@@]12C)[C@@](C)(O)C(=O)\\C=C\\C(C)(C)O |r,c:11,t:2|"]
["C[C@@]1([H])OC(=O)[C@](C)([H])[C@]1([H])C[C@@]([H])(O[H])[C@](C)(O[H])[C@@]5([H])CC[C@@]4(O[H])C3=CC(=O)[C@]2([H])C[C@@]([H])(O[H])[C@@]([H])(O[H])C[C@]2(C)[C@@]3([H])CC[C@]45C","Compound Number 6098",104,2.176,68.126,0.521,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cyasterone\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08816","[H][C@@]1(C[C@@H](O)[C@](C)(O)[C@@]2([H])CC[C@@]3(O)C4=CC(=O)[C@]5([H])C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@]4([H])CC[C@]23C)[C@@H](C)OC(=O)[C@H]1C |r,t:14|"]
["O=C1C=C(CO1)[C@@]6([H])CC[C@]25O[C@]24CC[C@]3([H])C[C@]([H])(CC[C@]3(C)[C@@]4([H])CC[C@]56C)O[C@@]7([H])C[C@@]([H])(OC)[C@@]([H])(O[H])[C@](C)([H])O7","Compound Number 6120",105,1.606,68.827,0.514,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Adynerin\r\nAdynerigenin 3-O-beta-D-diginoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08845","[H][C@]12CC[C@@]34O[C@@]33CC[C@]([H])(C5=CC(=O)OC5)[C@@]3(C)CC[C@]4([H])[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@@H](OC)[C@@H](O)[C@@H](C)O1 |r,t:12|"]
["C[C@@]6([H])O[C@@]([H])(O[C@@]5([H])CC[C@]4(C=O)[C@@]3([H])C[C@@]([H])(O[H])[C@@]1(C)[C@](O[H])(CC[C@]1([H])C2=CC(=O)OC2)[C@]3([H])CC[C@@]4(C5)O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[H]","Compound Number 6122",106,1.427,72.679,0.565,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","alpha-Antiarin\r\nAntiarigenin 3-O-beta-D-antiaroside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08847","[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4(O)C[C@H](CC[C@]4(C=O)[C@@]3([H])C[C@@H](O)[C@]12C)O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O)C1=CC(=O)OC1 |r,t:42|"]
["C[C@]6([H])O[C@@]([H])(O[C@@]5([H])CC[C@]4(C)[C@@]3([H])C[C@@]([H])(O[H])[C@@]1(C)[C@](O[H])(CC[C@]1([H])C2=CC(=O)OC2)[C@]3([H])CC[C@@]4(C5)O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[H]","Compound Number 6123",107,2.318,70.052,0.535,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Antioside\r\nAntiogenin 3-O-alpha-L-rhamnoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08848","[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4(O)C[C@H](CC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C1=CC(=O)OC1 |r,t:41|"]
["C[C@]45C(=O)C(O[H])=C2[C@@]([H])(CC[C@]1([H])C[C@]([H])(CC[C@]12C)O[C@@]3([H])C[C@]([H])(OC)[C@@]([H])(O[H])[C@@](C)([H])O3)[C@]4(CC[C@]5([H])C6=CC(=O)OC6)O[H]","Compound Number 6134",108,1.896,72.679,0.559,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Decoside\r\nDecogenin 3-O-alpha-L-oleandroside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08860","[H][C@]12CC[C@]3([H])C(=C(O)C(=O)[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](OC)[C@@H](O)[C@H](C)O1 |r,t:6,21|"]
["CO[C@]6([H])C[C@]([H])(O[C@@]5([H])CC[C@]4(C=O)[C@@]3([H])CC[C@]2(C)[C@@]([H])(C1=CC(=O)OC1)[C@@]([H])(O[H])C[C@]2(O[H])[C@]3([H])CC[C@]4(O[H])C5)O[C@@](C)([H])[C@]6([H])O[H]","Compound Number 6158",109,0.09,70.753,0.534,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Vernadigin\r\nStrophadogenin 3-O-beta-D-diginoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C08884","[H][C@@]12CC[C@]3(O)C[C@H](CC[C@]3(C=O)[C@@]1([H])CC[C@]1(C)[C@]([H])([C@@H](O)C[C@]21O)C1=CC(=O)OC1)O[C@H]1C[C@@H](OC)[C@@H](O)[C@@H](C)O1 |r,t:30|"]
["C[C@]36C1=CC(=O)O[C@@]([H])([C@]12O[C@]2([H])[C@@]5([H])OC(=O)[C@@](C)([C@@]([H])(O[H])[C@@]4([H])O[C@@]34[H])[C@@]56[H])[C@@](C)([H])O[C@]7([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])O[H]","Compound Number 6381",110,2.11,66.024,0.53,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Inumakilactone A glycoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C09114","[H][C@]12O[C@@]1([H])[C@]1(C)C3=CC(=O)O[C@]([H])([C@H](C)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]33O[C@@H]3[C@@]3([H])OC(=O)[C@@](C)([C@H]2O)[C@@]13[H] |t:8|"]
["O=C3C=2C(O[H])=CC(O[C@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])=CC=2O/C=C3/C4=C/C=C(/O[H])C=C4","Compound Number 6393",111,1.844,60.07,0.523,"Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Genistein 7-O-beta-D-glucoside\r\nGenistin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Genistein 7-O-beta-D-glucoside\r\nGenistin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C09126","OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O"]
["O=C3C=CC2=CC=1C[C@@]([H])(OC=1C=C2O3)C(C)(C)O[C@]4([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H]","Compound Number 6536",112,1.703,59.019,0.521,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Nodakenin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C09279","[H][C@@]1(Cc2cc3ccc(=O)oc3cc2O1)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O"]
["CC(=O)N2CCC1=CC(O[H])=C(O[H])C=C1[C@@]2([H])C[C@]4([H])C(=CO[C@@]([H])(O[C@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@]4([H])C=C)C(=O)OC","Compound Number 6708",113,0.18,71.629,0.553,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Ipecoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C09464","[H][C@]1(C[C@]2([H])C(=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]2([H])C=C)C(=O)OC)N(CCc2cc(O)c(O)cc12)C(C)=O |c:5|"]
["CO/C1=C(\\O[H])C=C(/C=C1/O[C@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@]4([H])CCC3=C/C=C(/O[H])C=C3O4","Compound Number 6722",114,0.731,63.573,0.547,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Auriculoside\r\n7,3',5'-Trihydroxy-4'-methoxyflavan 3'-glucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C09478","COc1c(O)cc(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CCc2ccc(O)cc2O1"]
["C[C@]4([H])C[C@@]1([H])OC(=O)C(=C)[C@@]1([H])C[C@]3(C)C(=O)C[C@]([H])(O[C@]2([H])O[C@]([H])(COC(C)=O)[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@@]34[H]","Compound Number 6768",115,0.939,66.375,0.557,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Paucin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C09525","[H][C@@]12C[C@@H](C)[C@]3([H])[C@H](CC(=O)[C@@]3(C)C[C@]1([H])C(=C)C(=O)O2)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O"]
["O=C(OC/C3=C/[C@@]([H])(O[H])[C@]2([H])C=CO[C@@]([H])(O[C@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@]23[H])C4=C/C=C(/O[H])C=C4","Compound Number 6995",116,2.273,63.397,0.533,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Agnuside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C09765","[H][C@@]12C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]1([H])C(COC(=O)c1ccc(O)cc1)=C[C@H]2O |c:2,34|"]
["C[C@]5([H])O[C@@]([H])(O[C@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@@]1([H])OC=3/C=C(/O[H])C=2C(=O)C[C@]([H])(OC=2C=3)C4=C/C=C(/O[H])C=C4)[C@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 7019",117,0.846,71.979,0.57,"Flavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00941\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Naringin\r\nNaringenin 7-O-neohesperidoside\r\nNaringenin 7-O-[beta-L-rhamnosyl-(1->2)-beta-D-glucoside]\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Flavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00941\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Naringin\r\nNaringenin 7-O-neohesperidoside\r\nNaringenin 7-O-[beta-L-rhamnosyl-(1->2)-beta-D-glucoside]\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-45812","C09789","C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O"]
["COC(=O)C2=CO[C@@]([H])(O[C@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C(=CC)[C@]2([H])CC(=O)OCC/C3=C/C=C(/O[H])C(=C3)O[H]","Compound Number 7024",118,0.149,68.126,0.527,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Oleuropein\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C09794","COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\\C(=C\\C)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1 |t:4|"]
["C[C@]5([H])O[C@@]([H])(O[C@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@@]1([H])OC=3/C=C(/O[H])C=2C(=O)C[C@]([H])(OC=2C=3)C4=C/C=C(/O[H])C(O[H])=C4)[C@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 7034",119,1.543,69.352,0.536,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Neoeriocitrin\r\nEriodictyol 7-O-neohesperidoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C09805","C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O"]
["CC(C)=CC/C2=C(/C=C(/O[H])C=1C(=O)[C@]([H])(O[H])[C@]([H])(OC=12)C3=C/C=C(/O[H])C=C3)O[C@]4([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H]","Compound Number 7037",120,2.331,68.651,0.551,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Phellamurin\r\n8-Prenyldihydrokaempferol 7-glucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C09808","C\\C(C)=C\\Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2C(=O)[C@H](O)[C@H](Oc12)c1ccc(O)cc1"]
["CO/C1=C/C=C(C=C1)[C@]5([H])CC(=O)C4=C(O[H])C=C(O[C@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[C@]3([H])O[C@](C)([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])C=C4O5","Compound Number 7059",121,1.351,73.205,0.565,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Poncirin\r\nIsosakuranetin 7-O-neohesperidoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C09830","COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O1"]
["CC(C)=CC[C@]24OC1=CC(O[H])=C(C(O[H])=C1C(=O)[C@@]2(O[H])OC3=CC(O[H])=CC=C34)[C@]6([H])C=C(C)C[C@]([H])(C5=C/C=C(/O[H])C=C5O[H])[C@@]6([H])C(=O)C7=C/C=C(/O[H])C=C7O[H]","Compound Number 7064",122,1.148,82.137,0.569,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Sanggenon D\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C09835","C\\C(C)=C\\CC12Oc3cc(O)c([C@@H]4C=C(C)C[C@@H]([C@H]4C(=O)c4ccc(O)cc4O)c4ccc(O)cc4O)c(O)c3C(=O)C1(O)Oc1cc(O)ccc21 |w:5.4,42.47,t:13|"]
["O=C(OC[C@@]4([H])O[C@@]([H])(OC=1/C=C(/O[H])C2=C(C=1)OC(=CC2=O)C3=C/C=C(/O[H])C=C3)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])CC(=O)O[H]","Compound Number 7241",123,1.63,64.273,0.524,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Apigenin 7-(6''-malonylglucoside)\r\nApigenin 7-O-(6-malonyl-beta-D-glucoside)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C10020","O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@H]1O"]
["O=C1C=C(OC2=C(C(O[H])=C(C(O[H])=C12)[C@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@]4([H])OC[C@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])C5=C/C=C(/O[H])C(O[H])=C5","Compound Number 7246",124,1.91,66.9,0.525,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Carlinoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C10026","OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1"]
["O=C(OC[C@@]4([H])O[C@@]([H])(OC=1/C=C(/O[H])C2=C(C=1)OC(=CC2=O)C3=C/C=C(/O[H])C(O[H])=C3)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])CC(=O)O[H]","Compound Number 7317",125,1.958,64.448,0.518,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Luteolin 7-O-(6''-malonylglucoside)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C10103","O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O"]
["O=C1C=C(OC2=C(C(O[H])=C(C(O[H])=C12)[C@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@]4([H])OC[C@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])C5=C/C=C(/O[H])C=C5","Compound Number 7389",126,1.27,68.126,0.538,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Schaftoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C10181","OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c2oc(cc(=O)c2c1O)-c1ccc(O)cc1"]
["O=C1C=C(OC2=C(C(O[H])=C(C(O[H])=C12)[C@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@]4([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])C5=C/C=C(/O[H])C=C5","Compound Number 7401",127,1.946,68.126,0.519,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Vicenin-2\r\nApigenin-6,8-di-C-glycoside\r\n5,7,4'-Trihydroxyflavone-6,8-di-C-glucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C10195","OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2oc(cc(=O)c2c1O)-c1ccc(O)cc1"]
["O=C3OC[C@@]5([H])O[C@@]([H])(OC(=O)C1=CC(O[H])=C(O[H])C(O[H])=C1)[C@]([H])(O[H])[C@@]([H])(OC(=O)C2=CC(O[H])=C(O[H])C(O[H])=C2C=4C3=CC(O[H])=C(O[H])C=4O[H])[C@]5([H])O[H]","Compound Number 7423",128,0.802,69.352,0.545,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Corilagin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C10219","O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]1[C@@H](O)[C@@H](O2)OC(=O)c1cc(O)c(O)c(O)c1"]
["CO/C4=C(\\O[C@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C=C3C(=O)C2=CC(C)=C(O[H])C(OC)=C2C(=O)C3=C4O[H]","Compound Number 7504",129,1.907,64.799,0.532,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Aurantio-obtusin beta-D-glucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C10303","COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2C(=O)c3cc(C)c(O)c(OC)c3C(=O)c2c1O |r|"]
["O=C3C=1C(=CC=CC=1O[C@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@@]([H])(C4=CC(CO[H])=CC(O[H])=C34)[C@]5([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 7508",130,0.349,66.55,0.513,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cascaroside A\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C10307","[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(CO)cc12"]
["O=C(O[C@@]1([H])[C@@]([H])(O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]1([H])O[H])O[C@]2([H])CCCC[C@]2([H])O[H])C=C/C3=C/C=C(/O[H])C=C3","Compound Number 7642",131,1.134,65.149,0.569,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Grandidentatin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C10463","OC[C@H]1O[C@@H](O[C@@H]2CCCC[C@@H]2O)[C@H](OC(=O)\\C=C\\c2ccc(O)cc2)[C@@H](O)[C@@H]1O"]
["O=C(O[C@@]3([H])[C@]([H])(O[C@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@@]([H])(O[H])[C@]([H])(OC[C@@]([H])(O[H])C2=C/C=C(/O[H])C(O[H])=C2)O[C@]3([H])CO[H])C=C/C4=C/C=C(/O[H])C(O[H])=C4","Compound Number 7644",132,1.81,73.205,0.544,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Hellicoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C10466","OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OC[C@@H](O)c3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)\\C=C\\c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O"]
["O=C(O[C@]1([H])C[C@](C[C@@]([H])(O[H])[C@@]1([H])OC(=O)C=C/C2=C/C=C(/O[H])C(O[H])=C2)(O[H])C(=O)O[H])C=C/C3=C/C=C(/O[H])C(O[H])=C3","Compound Number 7646",133,0.879,66.375,0.545,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Isochlorogenic acid b\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C10468","O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\\C=C\\c2ccc(O)c(O)c2)[C@@H]1OC(=O)\\C=C\\c1ccc(O)c(O)c1)C(O)=O"]
["CO/C4=C(\\O[C@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C=C3O/C=C(/C2=C/C=C(/O[H])C=C2)C(=O)C3=C4O[H]","Compound Number 7703",134,1.934,61.646,0.529,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Tectoridin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C10533","COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O"]
["O=C4OC[C@@]2([H])[C@]1([H])CC[C@@]([H])([C@@]1(C)CC[C@]2([H])[C@@]3(C)C[C@@]([H])(O[H])[C@]([H])(C[C@]34[H])O[H])[C@@](C)([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@](C)([H])C(C)(C)O[H]","Compound Number 8189",135,2.541,68.651,0.532,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","25-Hydroxy-24-epi-brassinolide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11050","[H][C@@]1(CC[C@@]2([H])[C@]3([H])COC(=O)[C@@]4([H])C[C@H](O)[C@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)(C)O"]
["C[C@]34CC[C@]2([H])C1=CC(OC)=C(C=C1CC[C@@]2([H])[C@]3([H])CC[C@]4([H])O[H])O[C@]5([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 8267",136,2.459,65.499,0.537,"Androgen and estrogen metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00150\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","2-Methoxy-estradiol-17beta 3-glucuronide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Androgen and estrogen metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00150\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","2-Methoxy-estradiol-17beta 3-glucuronide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11131","[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(OC)cc21 |r|"]
["C[C@]34CC[C@]2([H])C1=CC(OC)=C(C=C1CC[C@@]2([H])[C@]3([H])CCC4=O)O[C@]5([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 8268",137,1.772,66.55,0.544,"Androgen and estrogen metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00150\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","2-Methoxyestrone 3-glucuronide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Androgen and estrogen metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00150\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","2-Methoxyestrone 3-glucuronide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11132","[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(OC)cc21 |r|"]
["C[C@]34CC[C@]2([H])C1=CC=C(C=C1CC[C@@]2([H])[C@]3([H])CCC4=O)O[C@]5([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 8269",138,1.55,61.646,0.521,"Androgen and estrogen metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00150\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Estrone glucuronide\r\nEstrone 3-glucuronide\r\nEstrone beta-D-glucuronide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Androgen and estrogen metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00150\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Estrone glucuronide\r\nEstrone 3-glucuronide\r\nEstrone beta-D-glucuronide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11133","[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc21 |r|"]
["O=C5C=C4CC[C@]2([H])[C@]([H])(CC[C@]1(C)[C@]([H])(CC[C@@]12[H])O[C@]3([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]4(C)CC5","Compound Number 8270",139,1.226,65.324,0.534,"Androgen and estrogen metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00150\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Testosterone glucuronide\r\nTestosterone 17beta-(beta-D-glucuronide)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Androgen and estrogen metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00150\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Testosterone glucuronide\r\nTestosterone 17beta-(beta-D-glucuronide)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11134","[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r,t:4|"]
["O=C4CC[C@@]3([H])[C@]2([H])CC[C@]1([H])C[C@@]([H])(CC[C@]1(C)[C@@]2([H])CC[C@]34C)O[C@]5([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 8272",140,0.738,62.872,0.506,"Androgen and estrogen metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00150\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Etiocholan-3alpha-ol-17-one 3-glucuronide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Androgen and estrogen metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00150\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Etiocholan-3alpha-ol-17-one 3-glucuronide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11136","[H][C@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r|"]
["O=C(O[H])C2=C(CN1C=C/C(=N/[H])N1CCO[H])C[S][C@@]3([H])N2C(=O)[C@@]3([H])N([H])C(=O)C(=NOC)C4=C[S]C(=N4)N([H])[H]","Compound Number 8326",141,2.093,68.126,0.562,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cefoselis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11210","[H][C@]12SCC(Cn3ccc(=N)n3CCO)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\\c1csc(N)n1)C(O)=O |c:15|"]
["C[C@]34CC[C@]2([H])C1=CC=C(C=C1CC[C@@]2([H])[C@]3([H])CC[C@]4([H])O[C@]5([H])O[C@]([H])(C(=O)[O-])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H])O[H]","Compound Number 8351",142,0.967,62.347,0.524,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","17beta-Estradiol 17-(beta-D-glucuronide)\r\nEstradiol-17beta-glucuronide\r\nGlucuronosylestradiol\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11237","[H][C@]12CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O"]
["C[C@]15CC[C@]([H])(C[C@@]1([H])[C@@]([H])(O[C@]2([H])O[C@]([H])(C(=O)[O-])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C[C@@]4([H])[C@]3([H])CC[C@@]([H])([C@@]3(C)CC[C@]45[H])[C@@](C)([H])CCC(=O)O[H])O[H]","Compound Number 8359",143,1.921,69.877,0.522,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","6alpha-Glucuronosylhyodeoxycholate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11246","[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C([O-])=O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O"]
["C/C3=C(\\C(=O)O[H])C(O[H])=CC=2C(=O)C1=C(O[H])C(O[H])=C(C(O[H])=C1C(=O)C=23)[C@@]4([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H]","Compound Number 8366",144,0.797,61.296,0.519,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Carmine\r\nCarminic acid\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11254","Cc1c(C(O)=O)c(O)cc2C(=O)c3c(O)c(O)c([C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3C(=O)c12"]
["C[C@]34CC[C@]2([H])C1=CC=C(C=C1CC[C@@]2([H])[C@]3([H])C[C@@]([H])(O[H])[C@]4([H])O[H])O[C@]5([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 8394",145,2.387,63.397,0.523,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","16alpha,17beta-Estriol 3-(beta-D-glucuronide)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11288","[H][C@]12CC[C@]3(C)[C@@H](O)[C@H](O)C[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc21"]
["C[C@]34CC[C@]2([H])C1=CC=C(C=C1CC[C@@]2([H])[C@]3([H])CC[C@]4([H])O[C@]5([H])O[C@]([H])(C(=O)[O-])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H])O[S](=O)(=O)O[H]","Compound Number 8395",146,2.039,64.623,0.516,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11289","[H][C@]12CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCc1cc(OS(O)(=O)=O)ccc21)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O"]
["C/C1=C/N(C(=O)N([H])C1=O)[C@@]3([H])C[C@]([H])(O[H])[C@@]([H])(CO[P@](=O)(O[P@](=O)(O[C@@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])O[H])O[H])O3","Compound Number 8545",147,0.96,63.748,0.521,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dTDP-alpha-D-glucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11451","Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=O"]
["C/C1=C/N(C(=O)N([H])C1=O)[C@@]3([H])C[C@]([H])(O[H])[C@@]([H])(CO[P@@](=O)(O[P@@](=O)(O[C@@]2([H])OC(C)(C)C(=O)[C@@]([H])(O[H])[C@@]2([H])O[H])O[H])O[H])O3","Compound Number 8553",148,1.538,68.827,0.564,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dTDP-4-oxo-5-C-methyl-L-rhamnose\r\ndTDP-4-oxo-6-deoxy-5-C-methyl-L-mannose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11460","Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]3OC(C)(C)C(=O)[C@@H](O)[C@H]3O)O2)c(=O)[nH]c1=O"]
["O=[S](=O)([O-])C[C@@]3([H])O[C@]([H])(O[P@@](=O)(O[P@](=O)(OC[C@@]2([H])O[C@@]([H])(N1C=CC(=O)N([H])C1=O)[C@]([H])(O[H])[C@]2([H])O[H])O[H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H]","Compound Number 8607",149,1.95,68.827,0.56,"Nucleotide sugars metabolism\r\nGlycerolipid metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\nmap00561\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-6-sulfoquinovose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Nucleotide sugars metabolism\r\nGlycerolipid metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\nmap00561\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-6-sulfoquinovose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11521","O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CS([O-])(=O)=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O"]
["O=C3N2CCC1=CC(O[H])=C(C=C1[C@]2([H])C[C@]5([H])C3=CO[C@@]([H])(O[C@]4([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@]5([H])C=C)O[H]","Compound Number 8881",150,0.563,62.172,0.507,"Indole and ipecac alkaloid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00901\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Demethylisoalangiside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Indole and ipecac alkaloid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00901\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Demethylisoalangiside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11814","[H][C@@]12C[C@]3([H])N(CCc4cc(O)c(O)cc34)C(=O)C1=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2C=C |c:21|"]
["C[C@@]3([H])O[C@@]([H])(O[P@@](=O)(O[P@@](=O)(OC[C@@]1([H])O[C@]([H])(C[C@]1([H])O[H])N2/C=C(/C)C(=O)N([H])C2=O)O[H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H]","Compound Number 8974",151,1.153,65.849,0.539,"Biosynthesis of 12-, 14- and 16-membered macrolides\r\nPolyketide sugar unit biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00522\r\nmap00523\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dTDP-6-deoxy-D-allose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Biosynthesis of 12-, 14- and 16-membered macrolides\r\nPolyketide sugar unit biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00522\r\nmap00523\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dTDP-6-deoxy-D-allose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11912","C[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)[C@@H]1O |w:3.3|"]
["C[C@@]3([H])O[C@]([H])(O[P@](=O)(O[P@@](=O)(OC[C@@]1([H])O[C@]([H])(C[C@]1([H])O[H])N2/C=C(/C)C(=O)N([H])C2=O)O[H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])C3=O","Compound Number 8986",152,1.074,65.849,0.549,"Polyketide sugar unit biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00523\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dTDP-4-oxo-6-deoxy-D-allose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Polyketide sugar unit biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00523\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dTDP-4-oxo-6-deoxy-D-allose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11926","C[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)C1=O |w:3.3|"]
["C[C@]3([H])O[C@@]([H])(O[P@@](=O)(O[P@@](=O)(OC[C@@]1([H])O[C@]([H])(C[C@]1([H])O[H])N2/C=C(/C)C(=O)N([H])C2=O)O[H])O[H])C=C(O[H])C3=O","Compound Number 8991",153,1.642,65.674,0.55,"Polyketide sugar unit biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00523\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dTDP 1-ester with (6S)-5,6-dihydro-4-hydroxy-6-methyl-5-oxo-2H-pyran\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Polyketide sugar unit biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00523\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dTDP 1-ester with (6S)-5,6-dihydro-4-hydroxy-6-methyl-5-oxo-2H-pyran\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C11931","C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)C=C(O)C1=O |w:3.3,t:31|"]
["[H]OC[C@@]2([H])C[C@]([H])(N([H])[C@@]1([H])C=C(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[C@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H]","Compound Number 9157",154,1.745,64.448,0.543,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Validamycin A\r\nValidacin\r\nValidamycin\r\nValimon\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C12112","OC[C@H]1C[C@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |t:7|"]
["O=[P@@](O[C@@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])C(=O)[C@@]1([H])O[H])(O[P@](=O)(OC[C@@]3([H])O[C@@]([H])(N2C=CC(=O)N([H])C2=O)[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H]","Compound Number 9245",155,1.861,64.273,0.532,"Biosynthesis of ansamycins\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map01051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-3-ketoglucose\r\nUDP-3-keto-D-glucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Biosynthesis of ansamycins\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map01051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-3-ketoglucose\r\nUDP-3-keto-D-glucose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C12210","OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)C(=O)[C@@H]1O"]
["O=[P@](O[C@@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(N([H])[H])[C@@]1([H])O[H])(O[P@](=O)(OC[C@@]3([H])O[C@@]([H])(N2C=CC(=O)N([H])C2=O)[C@]([H])(O[H])[C@]3([H])O[H])O[H])O[H]","Compound Number 9246",156,1.305,65.499,0.545,"Biosynthesis of ansamycins\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map01051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-kanosamine\r\nUDP-D-kanosamine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Biosynthesis of ansamycins\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map01051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-kanosamine\r\nUDP-D-kanosamine\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C12211","N[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1O"]
["C[C@@]1([H])O[C@]([H])(C[C@@]([H])(O[H])[C@@]1([H])O[H])O[P@](=O)(O[P@@](=O)(OC[C@@]2([H])O[C@]([H])(C[C@]2([H])O[H])N3/C=C(/C)C(=O)N([H])C3=O)O[H])O[H]","Compound Number 9470",157,1.673,66.725,0.566,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","dTDP-beta-D-oliose\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C12446","C[C@H]1O[C@H](C[C@@H](O)[C@H]1O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O"]
["C[C@]5([H])O[C@@]([H])(O[C@@]1([H])[C@@]([H])(O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]1([H])O[H])OC=2/C=C(/O[H])C3=C(C=2)OC(=CC3=O)C4=C/C=C(/O[H])C(O[H])=C4)[C@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 9535",158,1.366,71.454,0.568,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Luteolin 7-O-neohesperidoside\r\nScolymoside\r\nVeronicastroside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C12630","C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@@H](O)[C@@H]2O)Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O"]
["O=C(O[H])[C@@]5([H])O[C@@]([H])(OC=1/C=C(/O[H])C2=C(C=1)OC(=CC2=O)C3=C/C=C(/O[H])C(O[H])=C3)[C@]([H])(O[C@]4([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@@]([H])(O[H])[C@]5([H])O[H]","Compound Number 9537",159,2.727,72.154,0.568,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]\r\nLuteolin 7-O-beta-D-diglucuronide\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C12632","O[C@H]1[C@H](O[C@H]2[C@@H](O[C@@H]([C@@H](O)[C@@H]2O)C(O)=O)Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O"]
["O=C(OC[C@@]4([H])O[C@@]([H])(O/C2=C(/OC1=CC(O[H])=CC(O[H])=C1C2=O)C3=C/C=C(/O[H])C(O[H])=C3)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])CC(=O)O[H]","Compound Number 9543",160,2.205,69.177,0.576,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)\r\nQuercetin 3-O-malonylglucoside\r\nQuercetin-3-O-(6''-malonylglucoside)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C12638","O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O"]
["O=C(OC[C@@]4([H])O[C@@]([H])(O/C2=C/C1=C(\\O[H])C=C(O[H])C=C1/[O+]=C2/C3=C/C=C(C=C3)O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])CC(=O)O[H]","Compound Number 9547",161,0.688,66.024,0.55,"Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C12642","O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@H]1O"]
["O=C(OC[C@@]4([H])O[C@@]([H])(O/C2=C/C1=C(\\O[H])C=C(O[H])C=C1/[O+]=C2/C3=C/C=C(/O[H])C(=C3)O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])CC(=O)O[H]","Compound Number 9548",162,1.195,66.725,0.547,"Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside)\r\nCyanidin 3-O-(6'-O-malonylglucoside)\r\nCyanidin-3-(6'-malonylglucoside)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside)\r\nCyanidin 3-O-(6'-O-malonylglucoside)\r\nCyanidin-3-(6'-malonylglucoside)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C12643","O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O"]
["C[C@]5([H])O[C@@]([H])(OC[C@@]4([H])O[C@@]([H])(O/C2=C/C1=C(\\O[H])C=C(O[H])C=C1/[O+]=C2/C3=C/C=C(C=C3)O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 9549",163,0.238,70.403,0.558,"Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Pelargonidin 3-O-rutinoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Pelargonidin 3-O-rutinoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C12644","C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]
["O=C2C=C1CC[C@]3([H])[C@@]([H])([C@@]1(C)CC2)[C@@]([H])(O[H])C[C@@]4(C)[C@@]3([H])CC[C@]4(O[H])C(=O)COC(=O)CCCCC","Compound Number 9694",164,0.945,70.403,0.579,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Hydrocortisone caproate\r\n[2-(11,17-Dihydroxy-10,13-dimethyl-3-oxo- 1,2,6,7,8,9,10,11,12,13,14,15,16,17- tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl]hexanoate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C13422","[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)COC(=O)CCCCC |r,t:4|"]
["CC(=O)OC[C@@]4([H])O[C@]([H])(O[C@]3([H])[C@@]([H])(CO[H])O[C@@]([H])(N2C=NC1=C(N=CN=C12)N([H])[H])[C@]3([H])O[P](=O)(O[H])O[H])[C@]([H])(O[H])[C@@]([H])(O[P](=O)(O[H])O[H])[C@]4([H])O[P](=O)(O[H])O[H]","Compound Number 9814",165,2.341,76.532,0.591,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Adenophostin B\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C13722","CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2OP(O)(O)=O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O |r|"]
["O=[P](O[C@@]4([H])[C@]([H])(O[P](=O)(O[H])O[H])[C@]([H])(O[C@]([H])(O[C@]3([H])[C@]([H])(O[C@@]([H])(N1C=NC=2C(=NC=NC1=2)N([H])[H])[C@]3([H])O[P](=O)(O[H])O[H])CO[H])[C@]4([H])O[H])CO[H])(O[H])O[H]","Compound Number 9819",166,1.902,70.403,0.545,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Adenophostin A\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C13727","Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]2O)[C@H]1OP(O)(O)=O |r|"]
["C/C2=N/C(/N=N/C1=C/C=C(/C=C1/[S](=O)(=O)O[H])[S](=O)(=O)O[H])=C(CO[P](=O)(O[H])O[H])C(C=O)=C2O[H]","Compound Number 9836",167,0.962,63.222,0.548,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Pyridoxalphosphate-6-azophenyl-2',4'-disulfonic acid\r\nPPADS\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C13745","Cc1nc(\\N=N\\c2ccc(cc2S(O)(=O)=O)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O"]
["O=C(O[H])C2=C(CN1C=C/C(=N/[H])N1CCO[H])C[S][C@@]3([H])N2C(=O)[C@@]3([H])N([H])C(=O)C(=NOC)C4=C[S]C(=N4)N([H])[H]","Compound Number 10016",168,2.093,68.126,0.562,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cefoselis sulfate\r\nFK 037\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C14011","OS(O)(=O)=O.[H][C@]12SCC(Cn3ccc(=N)n3CCO)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\\c1csc(N)n1)C(O)=O |c:19|"]
["C[C@@]1([H])C=C/C=C(/C)C(=O)N([H])C4=CC(O[H])=C3C2=C(O[C@](C)(OC=C[C@]([H])(O[H])[C@](C)([H])[C@@]([H])(O[H])[C@@](C)([H])[C@]([H])(O[H])[C@@](C)([H])[C@@]1([H])O[H])C2=O)C(C)=C(O[H])C3=C4O[H]","Compound Number 10645",169,1.279,74.431,0.518,"Biosynthesis of ansamycins\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map01051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Demethyl-desacetyl-rifamycin SV\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Biosynthesis of ansamycins\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map01051\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Demethyl-desacetyl-rifamycin SV\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C14725","C[C@H]1\\C=C\\C=C(C)/C(=O)Nc2cc(O)c3c4C(=O)C(C)(O\\C=C\\[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O)Oc4c(C)c(O)c3c2O |t:2,4,21|"]
["C[C@]12CC[C@@]([H])(CC1=CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])N(CCO[H])CCO[H])O[H]","Compound Number 10883",170,1.891,60.245,0.51,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C14966","[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])N(CCO)CCO |t:3|"]
["C[C@]34CC[C@]2([H])C1=CC=C(C=C1CC[C@@]2([H])[C@]3([H])CC[C@]4([H])O[S](=O)(=O)O[H])O[C@]5([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 11121",171,1.902,64.974,0.52,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate\r\nEstradiol 3-glucuronide 17beta-sulfate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C15207","[H][C@]12CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc21)OS(O)(=O)=O"]
["O=C4C=C3CC[C@]1([H])[C@]([H])(C(=O)C[C@@]2(C)[C@@]1([H])CC[C@]2(O[H])C(=O)COC(=O)CCC(=O)O[H])[C@@]3(C)CC4","Compound Number 11341",172,0.784,67.951,0.566,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)\r\n21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-3,11,20-trione\r\nCortisone 21-succinate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C15429","[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])C(=O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)COC(=O)CCC(O)=O |t:4|"]
["C[C@]12CC[C@]([H])(C[C@@]1([H])[C@@]([H])(C[C@]4([H])[C@]2([H])CC[C@]3(C)[C@]([H])(CC[C@@]34[H])[C@@](C)([H])CCC(=O)O[H])O[H])O[H]","Compound Number 11420",173,1.292,63.573,0.544,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","6beta-Hydroxylithocholate\r\nMurideoxycholic acid\r\n3alpha,6beta-Dihydroxy-5beta-cholanic acid\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C15515","[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])C[C@H]2O)[C@H](C)CCC(O)=O"]
["C[C@]([H])(CCC(=O)N([H])CC(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])CC[C@]1([H])C[C@@]([H])(CC[C@]1(C)[C@@]2([H])CC[C@]34C)O[H]","Compound Number 11460",174,0.581,65.324,0.533,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Glycolithocholate\r\nGlycolithocholic acid\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C15557","[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC(O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2"]
["C[C@]12CC[C@]([H])(C[C@@]1([H])C[C@@]([H])(O[S](=O)(=O)O[H])[C@]4([H])[C@]2([H])CC[C@]3(C)[C@]([H])(CC[C@@]34[H])[C@@](C)([H])CCC(=O)N([H])CC(=O)O[H])O[H]","Compound Number 11462",175,1.47,67.25,0.513,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Glycochenodeoxycholate 7-sulfate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C15559","[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@@H](C2)OS(O)(=O)=O)[C@H](C)CCC(=O)NCC(O)=O"]
["C[C@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@]1([H])OC(=O)C=C(C)C=C[C@@]2(O[H])C(C)=CC(=O)CC2(C)C","Compound Number 11770",176,0.708,64.799,0.541,"Carotenoid biosynthesis - General\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00906\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Abscisic acid glucose ester\r\nabscisic acid-beta-D-glucopyranosyl ester\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Carotenoid biosynthesis - General\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00906\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Abscisic acid glucose ester\r\nabscisic acid-beta-D-glucopyranosyl ester\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C15970","C[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1OC(=O)\\C=C(C)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C |c:23,@@:27|"]
["CC(C)([H])[C@]([H])(O[H])C=1[S]C(CCO[P@@](=O)(O[P](=O)(O[H])O[H])O[H])=C(C)[N+]=1C/C2=C/N=C(/C)N=C2N([H])[H]","Compound Number 11776",177,0.503,67.075,0.558,"Valine, leucine and isoleucine degradation\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00280\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","2-Methyl-1-hydroxypropyl-ThPP\r\n2-Methyl-1-hydroxypropyl-TPP\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Valine, leucine and isoleucine degradation\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00280\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","2-Methyl-1-hydroxypropyl-ThPP\r\n2-Methyl-1-hydroxypropyl-TPP\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C15976","CC(C)C(O)c1sc(CCOP(O)(=O)OP(O)(O)=O)c(C)[n+]1Cc1cnc(C)nc1N"]
["O=[P@@](OC[C@@]2([H])O[C@@]([H])(N1C=CC(=O)N([H])C1=O)[C@]([H])(O[H])[C@]2([H])O[H])(O[P@](=O)(O[C@@]3([H])OCC(=O)[C@]([H])(O[H])[C@@]3([H])O[H])O[H])O[H]","Compound Number 11880",178,1.204,63.222,0.54,"Nucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-L-Ara4O\r\nUDP-4''-ketopentose\r\nUridine 5'-diphospho-beta-(L-threo-pentapyranosyl-4''-ulose)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Nucleotide sugars metabolism\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00520\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","UDP-L-Ara4O\r\nUDP-4''-ketopentose\r\nUridine 5'-diphospho-beta-(L-threo-pentapyranosyl-4''-ulose)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16155","O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2OCC(=O)[C@H](O)[C@H]2O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O"]
["O=C(OC[C@@]4([H])O[C@@]([H])(O/C1=C/C=C3C(=C1)O/C=C(/C2=C/C=C(/O[H])C=C2)C3=O)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])CC(=O)O[H]","Compound Number 11909",179,2.12,66.375,0.554,"Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Malonyldaidzin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Malonyldaidzin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16191","O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@H]1O"]
["CO/C1=C/C4=C(/C=C1/O[C@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])O/C=C(/C3=C/C=C(/O[H])C=C3)C4=O","Compound Number 11912",180,2.643,60.595,0.514,"Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Glycitin\r\nGlycitein 7-O-glucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Glycitin\r\nGlycitein 7-O-glucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16195","COc1cc2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)occ(-c1ccc(O)cc1)c2=O"]
["CO/C1=C/C4=C(/C=C1/O[C@]2([H])O[C@]([H])(COC(=O)CC(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])O/C=C(/C3=C/C=C(/O[H])C=C3)C4=O","Compound Number 11914",181,2.428,64.974,0.519,"Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Malonylglycitin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Malonylglycitin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16197","COc1cc2c(cc1O[C@@H]1O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]1O)occ(-c1ccc(O)cc1)c2=O"]
["CO/C1=C/C=C(C=C1)C4=COC=3/C=C(/O[C@]2([H])O[C@]([H])(COC(=O)CC(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C=CC=3C4=O","Compound Number 11938",182,2.341,67.601,0.551,"Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Formononetin 7-O-glucoside-6''-O-malonate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Formononetin 7-O-glucoside-6''-O-malonate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16222","COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O"]
["COC=5C=C4O[C@@]3([H])C2=C/C=C(/O[C@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C=C2OC[C@@]3([H])C4=CC=5","Compound Number 11939",183,1.504,59.895,0.517,"Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","(-)-Medicocarpin\r\nMedicarpin 3-O-glucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","(-)-Medicocarpin\r\nMedicarpin 3-O-glucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16223","[H][C@@]12COc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3[C@]1([H])Oc1cc(OC)ccc21"]
["C[C@]12CC[C@]([H])(C[C@]1([H])C[C@@]([H])(O[H])[C@]4([H])[C@]2([H])C[C@]([H])(O[H])[C@]3(C)[C@]([H])(CC[C@@]34[H])[C@@](C)([H])CCCO[S](=O)(=O)O[H])O[H]","Compound Number 11973",184,0.616,64.799,0.517,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Petromyzonol 24-sulfate\r\n5alpha-Cholan-3alpha,7alpha,12alpha-triol 24-sulfate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16259","[H][C@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCOS(O)(=O)=O"]
["C[C@]12CC[C@]([H])(C[C@@]1([H])C[C@@]([H])(O[H])[C@]4([H])[C@]2([H])C[C@]([H])(O[H])[C@]3(C)[C@]([H])(CC[C@@]34[H])[C@@](C)([H])CC[C@@]([H])(O[H])C([H])(CO[H])CO[H])O[H]","Compound Number 11974",185,2.136,67.601,0.541,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Scymnol\r\n5beta-Scymnol\r\n5beta-Cholestane-3alpha,7alpha,12alpha,24,26,27-hexol\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16260","[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CC[C@@H](O)C(CO)CO"]
["C[C@]12CC[C@]([H])(C[C@@]1([H])C[C@@]([H])(O[H])[C@]4([H])[C@]2([H])C[C@]([H])(O[H])[C@]3(C)[C@]([H])(CC[C@@]34[H])[C@@](C)([H])CC[C@@]([H])(O[H])[C@@]([H])(CO[H])CO[S](=O)(=O)O[H])O[H]","Compound Number 11975",186,1.666,70.928,0.543,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","5beta-Scymnol sulfate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16261","[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CC[C@@H](O)C(CO)COS(O)(=O)=O"]
["[H]OC[C@@]4([H])O[C@@]([H])(OC=3/C=C(/O[H])C=C2/[O+]=C(/C=1C=CC(O[H])=C(O[H])C=1)C(=CC2=3)O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H]","Compound Number 12012",187,1.733,59.895,0.514,"Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cyanidin 5-O-glucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cyanidin 5-O-glucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16298","OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(c(O)cc23)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O"]
["O=C(OC[C@@]4([H])O[C@@]([H])(O/C2=C/C1=C(\\O[H])C=C(O[H])C=C1/[O+]=C2/C3=C/C(O[H])=C(O[H])C(=C3)O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])CC(=O)O[H]","Compound Number 12015",188,0.033,63.222,0.505,"Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Delphinidin 3-O-(6-O-malonyl-beta-D-glucoside)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Delphinidin 3-O-(6-O-malonyl-beta-D-glucoside)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16301","O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O"]
["[H]OC[C@@]5([H])O[C@@]([H])(O[C@@]1([H])[C@@]([H])(O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]1([H])O[H])O/C3=C/C2=C(\\O[H])C=C(O[H])C=C2/[O+]=C3/C4=C/C=C(/O[H])C(=C4)O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]5([H])O[H]","Compound Number 12020",189,1.695,67.776,0.507,"Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cyanidin 3-O-sophoroside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Cyanidin 3-O-sophoroside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16306","OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@@H](O)[C@@H]2O)Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O"]
["[H]OC[C@@]5([H])O[C@@]([H])(O[C@@]1([H])[C@@]([H])(O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]1([H])O[H])O/C3=C/C2=C(\\O[H])C=C(O[H])C=C2/[O+]=C3/C4=C/C(O[H])=C(O[H])C(=C4)O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]5([H])O[H]","Compound Number 12021",190,1.138,70.052,0.533,"Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Delphinidin 3-O-sophoroside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Delphinidin 3-O-sophoroside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16307","OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@@H](O)[C@@H]2O)Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O"]
["C[C@]5([H])O[C@@]([H])(OC[C@@]4([H])O[C@@]([H])(O/C2=C/C1=C(\\O[H])C=C(O[H])C=C1/[O+]=C2/C3=C/C(O[H])=C(O[H])C(=C3)O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 12029",191,1.427,67.776,0.514,"Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Tulipanin\r\nDelphinidin 3-O-rutinoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Anthocyanin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00942\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Tulipanin\r\nDelphinidin 3-O-rutinoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16315","C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O"]
["C[C@]4([H])O[C@@]([H])(O[C@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(CO[H])O[C@@]1([H])OC=3/C=C(/O[H])C(C(=O)C=C/C2=C/C=C(/O[H])C=C2)=C(O[H])C=3)[C@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H]","Compound Number 12125",192,1.854,68.476,0.523,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Naringin chalcone\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16423","C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c(C(=O)\\C=C\\c3ccc(O)cc3)c(O)c2)[C@H](O)[C@H](O)[C@H]1O"]
["CC(CO[H])=CCN([H])C2=NC=NC=1N(C=NC=12)[C@]3([H])O[C@]([H])(CO[P@](=O)(O[P@@](=O)(O[P](=O)(O[H])O[H])O[H])O[H])[C@@]([H])(O[H])[C@@]3([H])O[H]","Compound Number 12129",193,1.572,64.799,0.52,"Zeatin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00908\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","trans-Zeatin riboside triphosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Zeatin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00908\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","trans-Zeatin riboside triphosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16428","C\\C(CO)=C\\CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O"]
["CC(CO[H])=CCN([H])C2=NC=NC=1N(C=NC=12)[C@]3([H])O[C@]([H])(CO[P@](=O)(O[P](=O)(O[H])O[H])O[H])[C@@]([H])(O[H])[C@@]3([H])O[H]","Compound Number 12130",194,1.196,64.273,0.538,"Zeatin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00908\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","trans-Zeatin riboside diphosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Zeatin biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00908\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","trans-Zeatin riboside diphosphate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16429","C\\C(CO)=C\\CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O"]
["C[C@]34CC[C@@]2([H])C(=CC(=O)[C@]1([H])C[C@@]([H])(O[H])CC[C@]12C)[C@@]3(CC[C@]4([H])[C@@](C)([H])CCCC(C)(C)O[H])O[H]","Compound Number 12188",195,2.221,64.448,0.515,"Insect hormone biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00981\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","3beta,5beta-Ketotriol\r\n2,22-Dideoxyecdysone\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Insect hormone biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00981\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","3beta,5beta-Ketotriol\r\n2,22-Dideoxyecdysone\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16494","[H][C@]12CC[C@]3(C)[C@H](CC[C@@]3(O)C1=CC(=O)[C@]1([H])C[C@@H](O)CC[C@]21C)[C@H](C)CCCC(C)(C)O |c:13|"]
["C[C@]34CC[C@@]2([H])C(=CC(=O)[C@]1([H])C[C@@]([H])(O[H])[C@@]([H])(O[H])C[C@]12C)[C@@]3(CC[C@]4([H])[C@@](C)(O[H])[C@]([H])(O[H])CC[C@](C)(O[H])CO[H])O[H]","Compound Number 12194",196,2.115,65.849,0.511,"Insect hormone biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00981\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","20,26-Dihydroxyecdysone\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Insect hormone biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00981\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","20,26-Dihydroxyecdysone\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","C16500","[H][C@]12CC[C@]3(C)[C@H](CC[C@@]3(O)C1=CC(=O)[C@]1([H])C[C@@H](O)[C@@H](O)C[C@]21C)[C@@](C)(O)[C@H](O)CCC(C)(O)CO |c:13|"]
["C[C@]5([H])O[C@@]([H])(O[C@@]1([H])[C@@]([H])(O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]1([H])O[H])OC=2/C=C(/O[H])C3=C(C=2)OC(=CC3=O)C4=C/C=C(/O[H])C=C4)[C@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","Compound Number 12555",197,2.085,68.301,0.531,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Apigenin 7-O-neohesperidoside\r\nRhoifolin\r\nRhoifoloside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-15262","hts_ru033265-1","C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@@H](O)[C@@H]2O)Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O"]
["O=C(CC/C1=C/C=C(/O[H])C=C1)C3=C(O[C@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C=C(O[H])C=C3O[H]","Compound Number 12646",198,1.577,59.369,0.522,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Phlorizin\r\nPhlorhizin\r\nPhloridzin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","CDD-14924","hts_ru033608-1","OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O"]
["O=C(OC[C@@]4([H])O[C@@]([H])(OC=1/C=C(/O[H])C3=C(C=1)O/C=C(/C2=C/C=C(/O[H])C=C2)C3=O)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])CC(=O)O[H]","Compound Number 12729",199,2.442,65.499,0.544,"Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Malonylgenistin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Malonylgenistin\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","hts_ru130500-1","O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@H]1O"]
["O=C3C2=C/C=C(/O[C@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C=C2O/C=C3/C4=C/C=C(/O[H])C=C4","Compound Number 12746",200,1.735,60.245,0.531,"Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Daidzin\r\nDaidzein 7-O-glucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Daidzin\r\nDaidzein 7-O-glucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","hts_ru130714-1","OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O"]
["O=C(OC[C@@]6([H])O[C@@]([H])(O/C5=C/C=C4C(OC[C@@]3([H])C2=CC=1OCOC=1C=C2O[C@@]34[H])=C5)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]6([H])O[H])CC(=O)O[H]","Compound Number 12750",201,1.394,67.25,0.552,"Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","(-)-Maackiain-3-O-glucosyl-6''-O-malonate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","(-)-Maackiain-3-O-glucosyl-6''-O-malonate\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","hts_ru130784-1","O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2ccc3[C@@H]4Oc5cc6OCOc6cc5[C@@H]4COc3c2)[C@H](O)[C@H]1O"]
["CO/C1=C/C=C(C=C1)C4=COC=3/C=C(/O[C@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C=CC=3C4=O","Compound Number 12769",202,2.189,60.595,0.519,"Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Ononin\r\nFormononetin 7-O-glucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Isoflavonoid biosynthesis\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","map00943\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Ononin\r\nFormononetin 7-O-glucoside\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","hts_ru131102-1","COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O"]
["O=C(O[C@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])OC(=O)CC[N+]([O-])=O)COC(=O)CC[N+]([O-])=O)CC[N+]([O-])=O","Compound Number 12772",203,1.754,63.748,0.552,".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.","Karakin\r\nbeta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.\r\n.",".","hts_ru131155-1","O[C@H]1[C@H](O)[C@@H](OC(=O)CC[N+]([O-])=O)[C@@H](O[C@@H]1COC(=O)CC[N+]([O-])=O)OC(=O)CC[N+]([O-])=O"]

{"sheet":"rifampicin & LipidMaps no shape","index":14,"n_rows":2,"n_cols":19,"rows_kept":2,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
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{"sheet":"ethambutol & LipidMaps no shape","index":15,"n_rows":3,"n_cols":19,"rows_kept":3,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Structure","Name","Index","FitValue","PUBCHEM_SUBSTANCE_URL","LIPID_MAPS_CMPD_URL","LM_ID","SYSTEMATIC_NAME","CATEGORY","MAIN_CLASS","EXACT_MASS","FORMULA","COMMON_NAME","SUB_CLASS","PUBCHEM_SID","KEGG_ID","LIPIDBANK_ID","SYNONYMS","LIPIDAT_ID"]
["C[C@@]([H])(N([H])[H])[C@@]([H])(CCCCCCCCCCCCCCC(=O)CCCCCCCC[C@@]([H])(O[H])[C@](C)([H])N([H])[H])O[C@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]1([H])O[H]","LMSP01080039",1,0.653,".","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMSP01080039","LMSP01080039",".","Sphingolipids [SP]","Sphingoid bases [SP01]",646.513,"C35H70N2O8","Rhizochalinin D","Sphingoid base analogs [SP0108]",".",".",".",".","."]
["C[C@]([H])(N([H])[H])[C@@]([H])(CCCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C[C@@]([H])(O[H])[C@@](C)([H])N([H])[H])O[H]","LMSP01080040",2,2.35,".","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMSP01080040","LMSP01080040","(2S,3R,5Z,8Z,11Z,14Z,17Z,20Z,28R,29S)-2,29-diaminotriaconta-5,8,11,14,17,20-hexaene-3,28-diol","Sphingolipids [SP]","Sphingoid bases [SP01]",472.403,"C30H52N2O2","Leucettamol A","Sphingoid base analogs [SP0108]",".",".",".",".","."]

{"sheet":"streptomycin & LipidMaps","index":16,"n_rows":248,"n_cols":21,"rows_kept":248,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Structure","Name","Index","FitValue","PercentFilled","ShapeSimilarity","PUBCHEM_SUBSTANCE_URL","LIPID_MAPS_CMPD_URL","LM_ID","SYSTEMATIC_NAME","CATEGORY","MAIN_CLASS","EXACT_MASS","FORMULA","COMMON_NAME","SUB_CLASS","PUBCHEM_SID","KEGG_ID","LIPIDBANK_ID","SYNONYMS","LIPIDAT_ID"]
["CCCCC[C@@]([H])(C=C[C@]1([H])[C@@]([H])(C/C=C\\CCCC(=O)N([H])CCO[H])C(=O)C[C@@]1([H])O[H])O[H]","LMFA03010151",1,1.381,63.047,0.518,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4266067","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMFA03010151","LMFA03010151","N-(11R,15S-dihydroxy-9-oxo-5Z,13E-prostadienoyl)-ethanolamine","Fatty Acyls [FA]","Eicosanoids [FA03]",395.267,"C22H37NO5","PGE2-EA","Prostaglandins [FA0301]",4266067,".",".",".","."]
["CCCCC[C@@]([H])(C=C[C@]1([H])[C@@]([H])(C/C=C\\CCCC(=O)OC[C@]([H])(CO[H])O[H])[C@]([H])(C[C@@]1([H])O[H])O[H])O[H]","LMFA03010181",2,1.19,64.799,0.522,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=49703489","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMFA03010181","LMFA03010181","9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid 1(3)-glyceryl ester","Fatty Acyls [FA]","Eicosanoids [FA03]",428.277,"C23H40O7","1(3)-glyceryl-PGF2alpha","Prostaglandins [FA0301]",49703489,".",".","PGF2alpha-G","."]
["CCCCC[C@@]([H])(C=C[C@]1([H])[C@@]([H])(CC(=O)CCCCC(=O)OC[C@@]([H])(CO[H])O[H])[C@]([H])(C[C@@]1([H])O[H])O[H])O[H]","LMFA03010187",3,0.662,65.674,0.524,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=49703495","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMFA03010187","LMFA03010187","6-oxo-9S,11R,15S-trihydroxy-13E-prostenoic acid 1(3)-glyceryl ester","Fatty Acyls [FA]","Eicosanoids [FA03]",444.272,"C23H40O8","1(3)-glyceryl-6-keto-PGF1alpha","Prostaglandins [FA0301]",49703495,".",".","6-keto-PGF1a-G","."]
["O=C(O[H])CC/C=C\\C[C@]([H])(C=C/C=C\\C=C\\C=C\\[C@]([H])(O[H])[C@]([H])(C/C=C\\CC)O[H])O[H]","LMFA04000007",4,0.979,61.996,0.523,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24701332","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMFA04000007","LMFA04000007","7S,16,17S-trihydroxy-docosa-4Z,8E,10Z,12E,14E,19Z-hexaenoic acid","Fatty Acyls [FA]","Docosanoids [FA04]",376.225,"C22H32O5","Resolvin D2",".",24701332,".",".",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2(C)C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCCC([H])(CO[H])CO[H]","LMST01010025",5,2.017,68.651,0.545,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850679","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST01010025","LMST01010025","3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one","Sterol Lipids [ST]","Sterols [ST01]",450.371,"C28H50O4",".","Cholesterol and derivatives [ST0101]",7850679,".","SST9010",".","."]
["C[C@@]12C[C@@]([H])(O[H])[C@]([H])([C@@](C)(O[H])C(=O)C=CC(C)(C)O[H])[C@@]1(C)CC(=O)[C@]3(C)[C@@]2([H])CC=C4[C@@]3([H])C[C@]([H])(O[H])C(=O)C4(C)C","LMST01010106",6,2.358,69.177,0.52,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702186","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST01010106","LMST01010106",".","Sterol Lipids [ST]","Sterols [ST01]",516.309,"C30H44O7","Cucurbitacin D","Cholesterol and derivatives [ST0101]",24702186,"C08796",".",".","."]
["C[C@@]12C[C@@]([H])(O[H])[C@]([H])([C@@](C)(O[H])C(=O)C[C@@]([H])(O[H])C(C)(C)O[H])[C@@]1(C)CC(=O)[C@]3(C)[C@@]2([H])CC=C4[C@@]3([H])C[C@]([H])(O[H])C(=O)C4(C)C","LMST01010109",7,1.448,70.753,0.531,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702189","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST01010109","LMST01010109",".","Sterol Lipids [ST]","Sterols [ST01]",534.319,"C30H46O8","Cucurbitacin H","Cholesterol and derivatives [ST0101]",24702189,"C08799",".",".","."]
["C[C@@]12C[C@@]([H])(O[H])[C@]([H])([C@@](C)(O[H])C(=O)C=CC(C)(C)O[H])[C@@]1(C)CC(=O)[C@]3(C)[C@@]2([H])CC=C4[C@@]3([H])C=C(O[H])C(=O)C4(C)C","LMST01010110",8,2.449,70.052,0.534,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702190","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST01010110","LMST01010110",".","Sterol Lipids [ST]","Sterols [ST01]",514.293,"C30H42O7","Cucurbitacin I","Cholesterol and derivatives [ST0101]",24702190,"C08800",".",".","."]
["C[C@]34CC[C@@]2([H])[C@]([H])(CC=C1C[C@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CC[C@]([H])(O[H])[C@@](C)([H])CO[H]","LMST01010129",9,1.461,66.024,0.538,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=49703659","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST01010129","LMST01010129","cholest-5-en-3beta,24S,26-triol","Sterol Lipids [ST]","Sterols [ST01]",418.345,"C27H46O3","24S,27-dihydroxycholesterol","Cholesterol and derivatives [ST0101]",49703659,".",".",".","."]
["C[C@]34CC[C@@]2([H])[C@@]([H])(CC=C1C[C@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@@](C)(CO[H])O[H]","LMST01010131",10,1.704,64.623,0.516,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=49703661","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST01010131","LMST01010131","cholest-5-en-3beta,25,26-triol","Sterol Lipids [ST]","Sterols [ST01]",418.345,"C27H46O3","25,27-dihydroxycholesterol","Cholesterol and derivatives [ST0101]",49703661,".",".",".","."]
["C[C@]34C[C@]([H])(O[H])[C@@]1([H])[C@@]([H])(CCC2=CC(=O)CC[C@]12C)[C@]3([H])CC[C@]4(O[H])C(=O)COC(=O)CCCCC","LMST02030129",11,0.947,70.403,0.579,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702341","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST02030129","LMST02030129","11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-hexanoate","Sterol Lipids [ST]","Steroids [ST02]",460.282,"C27H40O6","Hydrocortisone caproate","C21 steroids and derivatives [ST0203]",24702341,"C13422",".",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C(=O)N([H])[C@@](C)([H])C(C)(C)O[H]","LMST03010007",12,1.815,67.776,0.533,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14714965","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03010007","LMST03010007","(5Z,7E)-(1S,3R,24R)-23-aza-22-oxo-9,10-seco-5,7,10(19)-ergostatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",445.319,"C27H43NO4","1alpha,25-dihydroxy-24-oxo-23-azavitamin D2 / 1alpha,25-dihydroxy-24-oxo-23-azaergocalciferol","Vitamin D2 and derivatives [ST0301]",14714965,".","VVD0235",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(CCC1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C=C[C@@](C)(O[H])C(C)(C)O[H]","LMST03010048",13,1.27,65.149,0.505,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14714997","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03010048","LMST03010048","(5Z,7E,22E)-(3S,24R)-9,10-seco-5,7,10(19),22-ergostatetraene-3,24,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",428.329,"C28H44O3","(24R)-24,25-dihydroxyvitamin D2 / (24R)-24,25-dihydroxyergocalciferol","Vitamin D2 and derivatives [ST0301]",14714997,".","VVD0395",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(CCC1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C=C[C@@](C)(O[H])[C@@](C)([H])CO[H]","LMST03010050",14,1.712,66.2,0.525,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14714998","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03010050","LMST03010050","(5Z,7E,22E)-(3S,24R)-9,10-seco-5,7,10(19),22-ergostatetraene-3,24,26-triol","Sterol Lipids [ST]","Secosteroids [ST03]",428.329,"C28H44O3","(24R)-24,26-dihydroxyvitamin D2 / (24R)-24,26-dihydroxyergocalciferol","Vitamin D2 and derivatives [ST0301]",14714998,".","VVD0397",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C=C[C@]([H])(CO[H])C(C)(C)O[H]","LMST03010053",15,2.373,67.776,0.532,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715001","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03010053","LMST03010053","(5Z,7E,22E)-(1S,3R)-9,10-seco-5,7,10(19),22-ergostatetraene-1,3,25,28-tetrol","Sterol Lipids [ST]","Secosteroids [ST03]",444.324,"C28H44O4","1alpha,25,28-trihydroxyvitamin D2 / 1alpha,25,28-trihydroxyergocalciferol","Vitamin D2 and derivatives [ST0301]",14715001,".","VVD0401",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C=C[C@](O[H])(CO[H])C(C)(C)O[H]","LMST03010055",16,1.668,67.25,0.527,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715003","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03010055","LMST03010055","(5Z,7E,22E)-(1S,3R)-9,10-seco-5,7,10(19),22-ergostatetraene-1,3,24,25,28-pentol","Sterol Lipids [ST]","Secosteroids [ST03]",460.319,"C28H44O5","1alpha,24,25,28-tetrahydroxyvitamin D2 / 1alpha,24,25,28-tetrahydroxyergocalciferol","Vitamin D2 and derivatives [ST0301]",14715003,".","VVD0403",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CC(=O)O[H]","LMST03020013",17,1.234,60.771,0.524,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715021","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020013","LMST03020013","(5Z,7E)-(1S,3R)-1,3-dihydroxy-24-nor- 9,10-seco-5,7,10(19)-cholatrien-23-oic acid","Sterol Lipids [ST]","Secosteroids [ST03]",374.246,"C23H34O4","1alpha-hydroxy-24,25,26,27-tetranorvitamin D3 23-carboxylic acid / calcitroic acid","Vitamin D2 and derivatives [ST0301]",14715021,".","VVD0014",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCO[H]","LMST03020020",18,1.441,61.471,0.524,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715028","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020020","LMST03020020","(5Z,7E)-(1S,3R)-24-nor-9,10-seco-5,7,10(19)-cholatriene-1,3,23-triol","Sterol Lipids [ST]","Secosteroids [ST03]",360.266,"C23H36O3","1alpha,23-dihydroxy-24,25,26,27-tetranorvitamin D3 / 1alpha,23-dihydroxy-24,25,26,27-tetranorcholecalciferol","Vitamin D2 and derivatives [ST0301]",14715028,".","VVD0021",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCC(=O)O[H]","LMST03020022",19,2.813,62.872,0.538,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715030","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020022","LMST03020022","(5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-seco-5,7,10(19)-cholatrien-24-oic acid","Sterol Lipids [ST]","Secosteroids [ST03]",388.261,"C24H36O4","1alpha-hydroxy-25,26,27-trinorvitamin D3 24-carboxylic acid","Vitamin D2 and derivatives [ST0301]",14715030,".","VVD0023",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCCO[H]","LMST03020023",20,2.361,62.522,0.536,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715031","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020023","LMST03020023","(5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholatriene-1,3,24-triol","Sterol Lipids [ST]","Secosteroids [ST03]",374.282,"C24H38O3","1alpha,24-dihydroxy-25,26,27-trinorvitamin D3 / 1alpha,24-dihydroxy-25,26,27-trinorcholecalciferol","Vitamin D2 and derivatives [ST0301]",14715031,".","VVD0024",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CC(C)(C)O[H]","LMST03020027",21,0.231,65.149,0.541,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715035","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020027","LMST03020027","(5Z,7E)-(1S,3R)-23,24-dinor-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",388.298,"C25H40O3","1alpha,25-dihydroxy-23,24-dinorvitamin D3 / 1alpha,25-dihydroxy-23,24-dinorcholecalciferol","Vitamin D2 and derivatives [ST0301]",14715035,".","VVD0028",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCCCO[H]","LMST03020028",22,1.526,64.098,0.539,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715036","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020028","LMST03020028","(5Z,7E)-(1S,3R)-26,27-dinor-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",388.298,"C25H40O3","1alpha,25-dihydroxy-26,27-dinorvitamin D3 / 1alpha,25-dihydroxy-26,27-dinorcholecalciferol","Vitamin D2 and derivatives [ST0301]",14715036,".","VVD0029",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])OCC(C)(C)O[H]","LMST03020030",23,1.356,64.098,0.523,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715038","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020030","LMST03020030","(5Z,7E)-(1S,3R)-24-nor-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",404.293,"C25H40O4","1alpha,25-dihydroxy-24-nor-22-oxavitamin D3 / 1alpha,25-dihydroxy-24-nor-22-oxacholecalciferol","Vitamin D2 and derivatives [ST0301]",14715038,".","VVD0031",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CC[C@@]([H])(O[H])[C@]4([H])OC4","LMST03020037",24,0.994,63.047,0.508,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715045","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020037","LMST03020037","(5Z,7E)-(1S,3R,24R,25S)-25,26-epoxy-27-nor-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol","Sterol Lipids [ST]","Secosteroids [ST03]",416.293,"C26H40O4","(24R,25S)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / (24R,25S)-25,26-epoxy-1alpha,24-dihydroxy-27-norcholecalciferol","Vitamin D2 and derivatives [ST0301]",14715045,".","VVD0039",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CC[C@]([H])(O[H])[C@@]4([H])OC4","LMST03020038",25,2.264,65.324,0.529,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715046","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020038","LMST03020038","(5Z,7E)-(1S,3R,24S,25R)-25,26-epoxy-27-nor-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol","Sterol Lipids [ST]","Secosteroids [ST03]",416.293,"C26H40O4","(24S,25R)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 / (24S,25R)-25,26-epoxy-1alpha,24-dihydroxy-27-norcholecalciferol","Vitamin D2 and derivatives [ST0301]",14715046,".","VVD0040",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCC(C)(C)O[H]","LMST03020046",26,1.953,64.623,0.525,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715054","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020046","LMST03020046","(5Z,7E)-(1S,3R)-24-nor-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",402.313,"C26H42O3","1alpha,25-dihydroxy-24-norvitamin D3 / 1alpha,25-dihydroxy-24-norcholecalciferol","Vitamin D2 and derivatives [ST0301]",14715054,".","VVD0048",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C[S]CC(C)(C)O[H]","LMST03020055",27,1.227,66.2,0.523,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715063","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020055","LMST03020055","(5Z,7E)-(1S,3R)-9,10-seco-23-thia-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",434.285,"C26H42O3S","1alpha,25-dihydroxy-23-thiavitamin D3 / 1alpha,25-dihydroxy-23-thiacholecalciferol","Vitamin D2 and derivatives [ST0301]",14715063,".","VVD0057",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])OC[C@@]([H])(O[H])C(C)(C)[H]","LMST03020058",28,1.259,64.273,0.516,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715066","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020058","LMST03020058","(5Z,7E)-(1S,3R,24S)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol","Sterol Lipids [ST]","Secosteroids [ST03]",418.308,"C26H42O4","(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / (24S)-1alpha,24-dihydroxy-22-oxacholecalciferol","Vitamin D2 and derivatives [ST0301]",14715066,".","VVD0060",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])COCC(C)(C)O[H]","LMST03020063",29,2.567,64.974,0.517,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715071","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020063","LMST03020063","(5Z,7E)-(1S,3R)-23-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",418.308,"C26H42O4","1alpha,25-dihydroxy-23-oxavitamin D3 / 1alpha,25-dihydroxy-23-oxacholecalciferol","Vitamin D2 and derivatives [ST0301]",14715071,".","VVD0065",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@](C)(CCC(C)(C)O[H])O[H]","LMST03020064",30,1.696,65.849,0.533,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715072","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020064","LMST03020064","(5Z,7E)-(1S,3R,20S)-24-nor-9,10-seco-5,7,10(19)-cholestatriene-1,3,20,25-tetrol","Sterol Lipids [ST]","Secosteroids [ST03]",418.308,"C26H42O4","(20S)-1alpha,20,25-trihydroxy-24-norvitamin D3/(20S)-1alpha,20,25-trihydroxy-24-norcholecalciferol","Vitamin D2 and derivatives [ST0301]",14715072,".","VVD0068",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])OC[C@@]([H])(O[H])C(C)(C)O[H]","LMST03020065",31,2.422,64.448,0.511,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715073","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020065","LMST03020065","(5Z,7E)-(1S,3R,24R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,24,25-tetrol","Sterol Lipids [ST]","Secosteroids [ST03]",434.303,"C26H42O5","(24R)-1alpha,24,25-trihydroxy-22-oxavitamin D3 / (24R)-1alpha,24,25-trihydroxy-22-oxacholecalciferol","Vitamin D2 and derivatives [ST0301]",14715073,".","VVD0069",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])OCC[C@](C)(CO[H])O[H]","LMST03020067",32,1.279,63.748,0.508,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715075","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020067","LMST03020067","(5Z,7E)-(1S,3R,25R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25,26-tetrol","Sterol Lipids [ST]","Secosteroids [ST03]",434.303,"C26H42O5","(25R)-1alpha,25,26-trihydroxy-22-oxavitamin D3 / (25R)-1alpha,25,26-trihydroxy-22-oxacholecalciferol","Vitamin D2 and derivatives [ST0301]",14715075,".","VVD0071",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CN([H])CC(C)(C)O[H]","LMST03020070",33,2.624,64.799,0.522,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715078","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020070","LMST03020070","(5Z,7E)-(1S,3R)-23-aza-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",417.324,"C26H43NO3","1alpha,25-dihydroxy-23-azavitamin D3 / 1alpha,25-dihydroxy-23-azacholecalciferol","Vitamin D2 and derivatives [ST0301]",14715078,".","VVD0074",".","."]
["C[C@]12CCC/C(=C\\C=C(\\CCO[H])C(=C)CO[H])[C@]1([H])CC[C@]2([H])[C@@](C)([H])CCCC(C)(C)O[H]","LMST03020075",34,1.123,64.623,0.51,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715083","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020075","LMST03020075","(5Z,7E)-A-nor-(1,2)-(9,10)-diseco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",404.329,"C26H44O3","1,25-dihydroxy-2-nor-1,2-secovitamin D3 / 1,25-dihydroxy-2-nor-1,2-secocholecalciferol","Vitamin D2 and derivatives [ST0301]",14715083,".","VVD0079",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C[C@@]([H])(CC(O[H])(C([F])([F])[F])C([F])([F])[F])O[H]","LMST03020090",35,0.045,66.9,0.511,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715098","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020090","LMST03020090","(5Z,7E)-(1S,3R,23S)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,23,25-tetrol","Sterol Lipids [ST]","Secosteroids [ST03]",540.267,"C27H38F6O4","(23S)-26,26,26,27,27,27-hexafluoro-1alpha,23,25-trihydroxyvitamin D3 / (23S)-26,26,26,27,27,27-hexafluoro-1alpha,23,25-trihydroxycholecalciferol","Vitamin D2 and derivatives [ST0301]",14715098,".","VVD0100",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@](C)([H])C=C[C@@]([H])(O[H])[C@@]4([H])CC4","LMST03020108",36,0.363,65.149,0.53,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715115","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020108","LMST03020108","(5Z,7E,22E)-(1S,3R,20S,24S)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol","Sterol Lipids [ST]","Secosteroids [ST03]",412.298,"C27H40O3","(22E)-(24S)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydro-20-epivitamin D3 / (22E)-(24S)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydro-20-epicholecalciferol","Vitamin D2 and derivatives [ST0301]",14715115,".","VVD0123",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C=C=CC(C)(C)O[H]","LMST03020111",37,2.087,64.623,0.523,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715118","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020111","LMST03020111","(5Z,7E)-(1S,3R,23R)-9,10-seco-5,7,10(19),22,23-cholestapentaene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",412.298,"C27H40O3","(23R)-1alpha,25-dihydroxy-22,23,23,24-tetradehydrovitamin D3 / (23R)-1alpha,25-dihydroxy-22,23,23,24-tetradehydrocholecalciferol","Vitamin D2 and derivatives [ST0301]",14715118,".","VVD0126",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C=C=CC(C)(C)O[H]","LMST03020112",38,2.087,64.623,0.523,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715119","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020112","LMST03020112","(5Z,7E)-(1S,3R,23S)-9,10-seco-5,7,10(19),22,23-cholestapentaene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",412.298,"C27H40O3","(23S)-1alpha,25-dihydroxy-22,23,23,24-tetradehydrovitamin D3 / (23S)-1alpha,25-dihydroxy-22,23,23,24-tetradehydrocholecalciferol","Vitamin D2 and derivatives [ST0301]",14715119,".","VVD0127",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C=C[C@@]([H])(O[H])[C@]4(C)OC4","LMST03020119",39,1.623,65.324,0.519,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715126","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020119","LMST03020119","(5Z,7E,22E)-(1S,3R,24R,25R)-25,26-epoxy-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol","Sterol Lipids [ST]","Secosteroids [ST03]",428.293,"C27H40O4","(22E)-(24R,25R)-25,26-epoxy-1alpha,24-dihydroxy-22,23-didehydrovitamin D3 / (22E)-(24R,25R)-25,26-epoxy-1alpha,24-dihydroxy-22,23-didehydrocholecalciferol","Vitamin D2 and derivatives [ST0301]",14715126,".","VVD0134",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C=C[C@]([H])(O[H])[C@@]4(C)OC4","LMST03020120",40,1.764,66.2,0.527,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715127","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020120","LMST03020120","(5Z,7E,22E)-(1S,3R,24S,25S)-25,26-epoxy-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol","Sterol Lipids [ST]","Secosteroids [ST03]",428.293,"C27H40O4","(22E)-(24S,25S)-25,26-epoxy-1alpha,24-dihydroxy-22,23-didehydrovitamin D3 / (22E)-(24S,25S)-25,26-epoxy-1alpha,24-dihydroxy-22,23-didehydrocholecalciferol","Vitamin D2 and derivatives [ST0301]",14715127,".","VVD0135",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C[C@]4([H])C[C@](C)(O[H])C(=O)O4","LMST03020124",41,2.797,66.024,0.521,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715131","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020124","LMST03020124","(5Z,7E)-(1S,3R,23R,25S)-1,3,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-lactone","Sterol Lipids [ST]","Secosteroids [ST03]",444.288,"C27H40O5","(23R,25S)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / (23R,25S)-1alpha,25-dihydroxycholecalciferol 26,23-lactone","Vitamin D2 and derivatives [ST0301]",14715131,".","VVD0139",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([F])CC[C@@]([H])(O[H])[C@@]4([H])CC4","LMST03020128",42,2.115,63.047,0.502,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715135","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020128","LMST03020128","(5Z,7E)-(1S,3R,20S,24R)-20-fluoro-26,27-cyclo-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol","Sterol Lipids [ST]","Secosteroids [ST03]",432.304,"C27H41FO3","(20S,24R)-20-fluoro-1alpha,24-dihydroxy-26,27-cyclovitamin D3 / (20S,24R)-20-fluoro-1alpha,24-dihydroxy-26,27-cyclocholecalciferol","Vitamin D2 and derivatives [ST0301]",14715135,".","VVD0146",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@](C)([F])CC[C@]([H])(O[H])[C@]4([H])CC4","LMST03020129",43,2.193,66.9,0.547,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715136","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020129","LMST03020129","(5Z,7E)-(1S,3R,20R,24S)-20-fluoro-26,27-cyclo-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol","Sterol Lipids [ST]","Secosteroids [ST03]",432.304,"C27H41FO3","(20R,24S)-20-fluoro-1alpha,24-dihydroxy-26,27-cyclovitamin D3 / (20R,24S)-20-fluoro-1alpha,24-dihydroxy-26,27-cyclocholecalciferol","Vitamin D2 and derivatives [ST0301]",14715136,".","VVD0147",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCC[C@]4(C)OC4","LMST03020161",44,2.228,65.324,0.522,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715155","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020161","LMST03020161","(5Z,7E)-(1S,3R)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol","Sterol Lipids [ST]","Secosteroids [ST03]",414.313,"C27H42O3","25,26-epoxy-1alpha-hydroxyvitamin D3 / 25,26-epoxy-1alpha-hydroxycholecalciferol","Vitamin D2 and derivatives [ST0301]",14715155,".","VVD0179",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C[C@@]([H])(CC(C)=C)O[H]","LMST03020167",45,0.615,65.499,0.525,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850775","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020167","LMST03020167","(5Z,7E)-(1S,3R,23S)-9,10-seco-5,7,10(19),25-cholestatetraene-1,3,23-triol","Sterol Lipids [ST]","Secosteroids [ST03]",414.313,"C27H42O3","(23S)-1alpha,23-dihydroxy-25,26-didehydrovitamin D_3 / (23S)-1alpha,23-dihydroxy-25,26-didehydrocholecalciferol","Vitamin D3 and derivatives [ST0302]",7850775,".","VVD0185",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C=C[C@]([H])(O[H])C(C)(C)[H]","LMST03020168",46,1.364,65.149,0.52,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850776","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020168","LMST03020168","(5Z,7E,22E)-(1S,3R,24R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol","Sterol Lipids [ST]","Secosteroids [ST03]",414.313,"C27H42O3","(22E)-(24R)-1alpha,24-dihydroxy-22,23-didehydrovitamin D_3 / (22E)-(24R)-1alpha,24-dihydroxy-22,23-didehydrocholecalciferol","Vitamin D3 and derivatives [ST0302]",7850776,".","VVD0186",".","."]
["C[C@]23CC=C/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCCC(C)(C)O[H]","LMST03020170",47,1.802,64.448,0.51,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850778","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020170","LMST03020170","(5Z,7E)-(1S,3R)-9,10-seco-5,7,9(11),10(19)-cholestatetraene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",414.313,"C27H42O3","1alpha,25-dihydroxy-9,11-didehydrovitamin D_3 / 1alpha,25-dihydroxy-9,11-didehydrocholecalciferol","Vitamin D3 and derivatives [ST0302]",7850778,".","VVD0188",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(CCC1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C=C[C@]([H])(O[H])C(C)(C)O[H]","LMST03020179",48,2.005,64.448,0.515,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850783","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020179","LMST03020179","(5Z,7E,22E)-(3S,24S)-9,10-seco-5,7,10(19),22-cholestatetraene-3,24,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",414.313,"C27H42O3","(22E)-(24S)-24,25-dihydroxy-22,23-didehydrovitamin D_3 / (22E)-(24S)-24,25-dihydroxy-22,23-didehydrocholecalciferol","Vitamin D3 and derivatives [ST0302]",7850783,".","VVD0197",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CC[C@@]([H])(O[H])[C@]4(C)OC4","LMST03020181",49,1.897,66.9,0.54,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715161","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020181","LMST03020181","(5Z,7E)-(1S,3R,24R,25R)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol","Sterol Lipids [ST]","Secosteroids [ST03]",430.308,"C27H42O4","(24R,25R)-25,26-epoxy-1alpha,24-dihydroxyvitamin D3 / (24R,25R)-25,26-epoxy-1alpha,24-dihydroxycholecalciferol","Vitamin D2 and derivatives [ST0301]",14715161,".","VVD0199",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CC[C@@]([H])(O[H])[C@@]4(C)OC4","LMST03020182",50,1.935,64.974,0.515,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715162","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020182","LMST03020182","(5Z,7E)-(1S,3R,24R,25S)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol","Sterol Lipids [ST]","Secosteroids [ST03]",430.308,"C27H42O4","(24R,25S)-25,26-epoxy-1alpha,24-dihydroxyvitamin D3 / (24R,25S)-25,26-epoxy-1alpha,24-dihydroxycholecalciferol","Vitamin D2 and derivatives [ST0301]",14715162,".","VVD0200",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CC[C@]([H])(O[H])[C@@]4(C)OC4","LMST03020184",51,1.864,65.849,0.526,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715164","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020184","LMST03020184","(5Z,7E)-(1S,3R,24S,25S)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol","Sterol Lipids [ST]","Secosteroids [ST03]",430.308,"C27H42O4","(24S,25S)-25,26-epoxy-1alpha,24-dihydroxyvitamin D3 / (24S,25S)-25,26-epoxy-1alpha,24-dihydroxycholecalciferol","Vitamin D2 and derivatives [ST0301]",14715164,".","VVD0202",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCC(=O)C(C)(C)O[H]","LMST03020186",52,2.382,66.024,0.523,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850786","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020186","LMST03020186","(5Z,7E)-(1S,3R)-1,3,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrien-24-one","Sterol Lipids [ST]","Secosteroids [ST03]",430.308,"C27H42O4","1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-dihydroxy-24-oxocholecalciferol","Vitamin D3 and derivatives [ST0302]",7850786,".","VVD0204",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C[C@@]([H])(O[H])C(=O)C(C)(C)O[H]","LMST03020194",53,1.94,67.951,0.545,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715167","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020194","LMST03020194","(5Z,7E)-(1S,3R,23R)-1,3,23,25-tetrahydroxy-9-10-seco-5,7,10(19)-cholestatrien-24-one","Sterol Lipids [ST]","Secosteroids [ST03]",446.303,"C27H42O5","(23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3 / (23R)-1alpha,23,25-trihydroxy-24-oxocholecalciferol","Vitamin D2 and derivatives [ST0301]",14715167,".","VVD0212",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCCC(C)(C)O[H]","LMST03020258",54,2.268,63.923,0.505,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850823","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020258","LMST03020258","(5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",416.329,"C27H44O3","1alpha,25-dihydroxyvitamin D_3 / 1alpha,25-dihydroxycholecalciferol / calcitriol","Vitamin D3 and derivatives [ST0302]",7850823,".","VVD0285",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(CCC1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C[C@@]([H])(CC(C)(C)O[H])O[H]","LMST03020272",55,0.657,66.024,0.529,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850835","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020272","LMST03020272","(5Z,7E)-(3S,23S)-9,10-seco-5,7,10(19)-cholestatriene-3,23,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",416.329,"C27H44O3","(23S)-23,25-dihydroxyvitamin D_3 / (23S)-23,25-dihydroxycholecalciferol","Vitamin D3 and derivatives [ST0302]",7850835,".","VVD0299",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@](C)([H])[C@@]([H])(CCC(C)(C)O[H])O[H]","LMST03020291",56,1.092,65.849,0.523,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850843","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020291","LMST03020291","(5Z,7E)-(1S,3R,20R,22R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,22,25-tetrol","Sterol Lipids [ST]","Secosteroids [ST03]",432.324,"C27H44O4","(22R)-1alpha,22,25-trihydroxy-20-epivitamin D_3 / (22R)-1alpha,22,25-trihydroxy-20-epicholecalciferol","Vitamin D3 and derivatives [ST0302]",7850843,".","VVD0318",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C[C@@]([H])(CC(C)(C)O[H])O[H]","LMST03020292",57,1.455,65.324,0.515,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715212","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020292","LMST03020292","(5Z,7E)-(1S,3R,23S)-9,10-seco-5,7,10( 19)-cholestatriene-1,3,23,25-tetrol","Sterol Lipids [ST]","Secosteroids [ST03]",432.324,"C27H44O4","(23S)-1alpha,23,25-trihydroxyvitamin D3 / (23S)-1alpha,23,25-trihydroxycholecalciferol","Vitamin D2 and derivatives [ST0301]",14715212,".","VVD0319",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCC[C@@](C)(CO[H])O[H]","LMST03020296",58,2.499,65.324,0.514,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850846","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020296","LMST03020296","(5Z,7E)-(1S,3R,25S)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25,26-tetrol","Sterol Lipids [ST]","Secosteroids [ST03]",432.324,"C27H44O4","(25S)-1alpha,25,26-trihydroxyvitamin D_3 / (25S)-1alpha,25S,26-trihydroxycholecalciferol","Vitamin D3 and derivatives [ST0302]",7850846,".","VVD0323",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(CCC1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])[C@@]([H])(C[C@]([H])(O[H])C(C)(C)O[H])O[H]","LMST03020297",59,1.294,64.448,0.506,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850847","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020297","LMST03020297","(5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatriene-3,22,24,25-tetrol","Sterol Lipids [ST]","Secosteroids [ST03]",432.324,"C27H44O4","22,24,25-trihydroxyvitamin D_3 / 22,24,25-trihydroxycholecalciferol","Vitamin D3 and derivatives [ST0302]",7850847,".","VVD0324",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])C[C@@]([H])(C[C@](C)(CO[H])O[H])O[H]","LMST03020306",60,0.584,65.324,0.514,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850851","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020306","LMST03020306","(5Z,7E)-(1S,3R,23S,25R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,23,25,26-pentol","Sterol Lipids [ST]","Secosteroids [ST03]",448.319,"C27H44O5","(23S,25R)-1alpha,23,25,26-tetrahydroxyvitamin D_3 / (23S,25R)-1alpha,23,25,26-tetrahydroxycholecalciferol","Vitamin D3 and derivatives [ST0302]",7850851,".","VVD0333",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(CO[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCCC(C)(C)O[H]","LMST03020341",61,1.964,66.375,0.514,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715239","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020341","LMST03020341","(5Z,7E)-(1S,3S)-1-(hydroxymethyl)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol","Sterol Lipids [ST]","Secosteroids [ST03]",430.345,"C28H46O3","(1S)-25-hydroxy-1-(hydroxymethyl)vitamin D3 / (1S)-25-hydroxy-1-(hydroxymethyl)cholecalciferol","Vitamin D2 and derivatives [ST0301]",14715239,".","VVD0425",".","."]
["C[C@]12CCCC(C[C@]1([H])CC[C@]2([H])[C@@](C)([H])CCCC(C)(C)O[H])=C/C=C3/C[C@]([H])(C[C@]([H])(O[H])C3=C)O[H]","LMST03020347",62,2.016,65.849,0.52,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715245","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020347","LMST03020347","(5Z,7E)-(1S,3R)-8(14)a-homo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",430.345,"C28H46O3","1alpha,25-dihydroxy-8(14)a-homovitamin D3 / 1alpha,25-dihydroxy-8(14)a-homocholecalciferol","Vitamin D2 and derivatives [ST0301]",14715245,".","VVD0431",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(O[H])[C@@](C)([H])[C@]([H])(O[H])C1=C)[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCCC(C)(C)O[H]","LMST03020349",63,0.933,67.075,0.529,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850865","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020349","LMST03020349","(5Z,7E)-(1S,2S,3S)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",430.345,"C28H46O3","2alpha-methyl-3-epi-1alpha,25-dihydroxyvitamin D_3 / 2alpha-methyl-3-epi-1alpha,25-dihydroxycholecalciferol","Vitamin D3 and derivatives [ST0302]",7850865,".","VVD0433",".","."]
["C[C@]23C[C@@](C)([H])C/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCCC(C)(C)O[H]","LMST03020364",64,2.173,66.375,0.517,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850880","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020364","LMST03020364","(5Z,7E)-(1S,3R,11R)-11-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",430.345,"C28H46O3","1alpha,25-dihydroxy-11beta-methylvitamin D_3 / 1alpha,25-dihydroxy-11beta-methylcholecalciferol","Vitamin D3 and derivatives [ST0302]",7850880,".","VVD0448",".","."]
["C[C@]23C[C@@]([H])(C/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCCC(C)(C)O[H])OC","LMST03020379",65,2.032,70.403,0.553,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715258","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020379","LMST03020379","(5Z,7E)-(1S,3R,11R)-11-methoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",446.34,"C28H46O4","1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol","Vitamin D2 and derivatives [ST0301]",14715258,".","VVD0463",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@](C)(CCCC(C)(C)O[H])OC","LMST03020380",66,1.742,65.149,0.503,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715259","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020380","LMST03020380","(5Z,7E)-(1S,3R,20S)-20-methoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",446.34,"C28H46O4","(20S)-1alpha,25-dihydroxy-20-methoxyvitamin D3 / (20S)-1alpha,25-dihydroxy-20-methoxycholecalciferol","Vitamin D2 and derivatives [ST0301]",14715259,".","VVD0464",".","."]
["C[C@]23C[C@]([H])(C/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCCC(C)(C)O[H])C#C","LMST03020394",67,1.836,66.9,0.524,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715270","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020394","LMST03020394","(5Z,7E)-(1S,3R,11S)-11-ethynyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",440.329,"C29H44O3","11alpha-ethynyl-1alpha,25-dihydroxyvitamin D3 / 11alpha-ethynyl-1alpha,25-dihydroxycholecalciferol","Vitamin D2 and derivatives [ST0301]",14715270,".","VVD0478",".","."]
["C[C@]23C[C@]([H])(C/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCCC(C)(C)O[H])[C@@]4([H])OC4","LMST03020411",68,1.667,67.776,0.523,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715286","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020411","LMST03020411","(5Z,7E)-(1S,3R,11S)-11-[(1R)-oxiranyl]-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",458.34,"C29H46O4","1alpha,25-dihydroxy-11alpha-[(1R)-oxiranyl]vitamin D3 / 1alpha,25-dihydroxy-11alpha-[(1R)-oxiranyl]cholecalciferol","Vitamin D2 and derivatives [ST0301]",14715286,".","VVD0499",".","."]
["CC(C)(CCC[C@](C)([H])[C@@]2([H])CC[C@@]1([H])C(CCC[C@]12COC(C)=O)=C/C=C3/C[C@]([H])(C[C@]([H])(O[H])C3=C)O[H])O[H]","LMST03020414",69,1.341,69.702,0.539,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715289","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020414","LMST03020414","(5Z,7E)-(1S,3R)-18-acetoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",474.335,"C29H46O5","18-acetoxy-1alpha,25-dihydroxyvitamin D3 / 18-acetoxy-1alpha,25-dihydroxycholecalciferol","Vitamin D2 and derivatives [ST0301]",14715289,".","VVD0502",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@](C)(CCCCC(C)(C)O[H])OC","LMST03020428",70,2.587,67.776,0.519,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715303","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020428","LMST03020428","(5Z,7E)-(1S,3R,20S)-20-methoxy-24a-homo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",460.355,"C29H48O4","(20S)-1alpha,25-dihydroxy-20-methoxy-24a-homovitamin D3 / (20S)-1alpha,25-dihydroxy-20-methoxy-24a-homocholecalciferol","Vitamin D2 and derivatives [ST0301]",14715303,".","VVD0518",".","."]
["C[C@]23C[C@]([H])(C/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCCC(C)(C)O[H])C4=CC=CC=C4","LMST03020528",71,0.261,70.928,0.532,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715403","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020528","LMST03020528","(5Z,7E)-(1S,3R,11S)-11-phenyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",492.36,"C33H48O3","1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1alpha,25-dihydroxy-11alpha-phenylcholecalciferol","Vitamin D2 and derivatives [ST0301]",14715403,".","VVD0618",".","."]
["C[C@]23C[C@@]([H])(C/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCCC(C)(C)O[H])C4=CC=CC=C4","LMST03020529",72,0.596,71.979,0.546,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715404","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020529","LMST03020529","(5Z,7E)-(1S,3R,11R)-11-phenyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",492.36,"C33H48O3","1alpha,25-dihydroxy-11beta-phenylvitamin D3 / 1alpha,25-dihydroxy-11beta-phenylcholecalciferol","Vitamin D2 and derivatives [ST0301]",14715404,".","VVD0619",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@@]([H])(O[H])[C@@](C)([H])[C@]([H])(O[H])C1=C)[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCCC(C)(C)O[H]","LMST03020540",73,1.788,65.674,0.512,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850885","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020540","LMST03020540","(5Z,7E)-(1S,2S,3R)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",430.345,"C28H46O3","2alpha-methyl-1alpha,25-dihydroxyvitamin D_3 / 2alpha-methyl-1alpha,25-dihydroxycholecalciferol","Vitamin D3 and derivatives [ST0302]",7850885,".","VVD0632",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(CO[H])C1=C)O[H])[C@]2([H])C/C=C3/[C@@](C)([H])CCCC(C)(C)O[H]","LMST03020578",74,0.557,66.375,0.521,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715452","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020578","LMST03020578","(5Z,7E)-(1S,3S)-1-hydroxymethyl-9,10-seco-5,7,10(19),16-cholestatetraene-3,25-diol","Sterol Lipids [ST]","Secosteroids [ST03]",428.329,"C28H44O3","25-hydroxy-1alpha-hydroxymethyl-16,17-didehydrovitamin D3 / 25-hydroxy-1alpha-hydroxymethyl-16,17-didehydrocholecalciferol","Vitamin D2 and derivatives [ST0301]",14715452,".","VVD0679",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])[C@]2([H])C/C=C3/[C@]([H])(CCCC(C)(C)O[H])C4=CC=CC=C4","LMST03020585",75,1.815,70.052,0.537,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715459","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020585","LMST03020585","(5Z,7E)-(1S,3R,20R)-20-phenyl-21-nor-9,10-seco-5,7,10(19),16-cholestatetraene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",476.329,"C32H44O3","(20R)-1alpha,25-dihydroxy-20-phenyl-16,17-didehydro-21-norvitamin D3 / (20R)-1alpha,25-dihydroxy-20-phenyl-16,17-didehydro-21-norcholecalciferol","Vitamin D2 and derivatives [ST0301]",14715459,".","VVD0686",".","."]
["C[C@]23CCC/C(=C\\C=C1\\C[C@@]([H])(O[H])[C@]([F])([H])[C@]([H])(O[H])C1=C)[C@]2([H])CC[C@]3([H])[C@@](C)([H])CCCC(C)(C)O[H]","LMST03020602",76,1.869,64.799,0.51,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715474","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020602","LMST03020602","(5Z,7E)-(1R,2R,3R)-2-fluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",434.32,"C27H43FO3","2beta-fluoro-1alpha,25-dihydroxyvitamin D3","Vitamin D2 and derivatives [ST0301]",14715474,".","VVD0705",".","."]
["C[C@]([H])(CCC(=O)C(C)(C)O[H])C2=CC[C@@]1([H])C(CCC[C@]12C)=C/C=C3\\C[C@]([H])(C[C@@]([H])(C3)O[H])O[H]","LMST03020609",77,2.498,63.397,0.509,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=49703691","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020609","LMST03020609","(5Z,7E,16Z)-(1R,3R)-19-nor-24-oxo-9,10-seco-5,7,16-cholestatrien-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",416.293,"C26H40O4","1alpha,25-Dihydroxy-16-ene-19-nor-24-oxovitamin D3","Vitamin D3 and derivatives [ST0302]",49703691,".",".",".","."]
["CC(C)(CCC[C@]([H])(CC[C@@]([H])(O[H])C(C)(C)O[H])[C@@]1([H])CC[C@@]2([H])C(CCC[C@]12C)=C/C=C3/C[C@]([H])(C[C@]([H])(O[H])C3=C)O[H])O[H]","LMST03020631",78,2.018,73.38,0.539,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=49703713","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020631","LMST03020631","(5Z,7E)-(1S,3R,20R)-20-(3R,4-dihydroxy-4-methy-propyl)-9,10-seco-5,7,10(19)-cholestatrien-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",518.397,"C32H54O5","(20R)-24-Hydroxygeminivitamin D3","Vitamin D3 and derivatives [ST0302]",49703713,".",".",".","."]
["C=C1C(C[C@]([H])(C[C@]1([H])O[H])O[H])=C/C=C2\\CCC[C@@]3(C)[C@@]2([H])C[C@@]([H])(OC(=O)CCCC(=O)O[H])[C@]3([H])[C@@](C)([H])CCCC(C)(C)O[H]","LMST03020634",79,0.864,73.73,0.536,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=49703716","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020634","LMST03020634","(5Z,7E)-(1S,3R,16R)-16-glutaryloxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",546.356,"C32H50O7","16-Glutaryloxy-1alpha,25-dihydroxyvitamin D3","Vitamin D3 and derivatives [ST0302]",49703716,".",".",".","."]
["C[C@@]([H])(CCCC(C)(C)O[H])C3=CC[C@@]2([H])C(=C/C=C1/C[C@]([H])(C[C@]([H])(O[H])C1=C)O[H])CCC[C@]23C","LMST03020639",80,1.66,64.799,0.517,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=49703721","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020639","LMST03020639","(5Z,7E,16Z)-(1S,3R)-9,10-seco-5,7,10(19),16-cholestatetraene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",414.313,"C27H42O3","16-Dehydroepicalcitriol","Vitamin D3 and derivatives [ST0302]",49703721,".",".",".","."]
["C=C1C(C[C@@]([H])(O[H])C[C@]1([H])O[H])=C/C=C2\\CCC[C@@]3(C)[C@@]2([H])CC[C@]3([H])[C@@](C)([H])CC(=O)CC(C)(C)O[H]","LMST03020668",81,1.751,67.075,0.533,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=49703750","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST03020668","LMST03020668","(5Z,7E)-(1S,3R)-23-oxo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol","Sterol Lipids [ST]","Secosteroids [ST03]",430.308,"C27H42O4","1,25-Dihydroxy-23-oxo-vitamin D3","Vitamin D3 and derivatives [ST0302]",49703750,".",".",".","."]
["C[C@]12[C@]([H])(C[C@@]4([H])[C@]([H])([C@]1([H])CC[C@]2([H])[C@@](C)([H])CCC(=O)O[H])[C@@]([H])(C[C@]3([H])C[C@@]([H])(CC[C@]34C)O[H])O[H])O[H]","LMST04010001",82,1.842,62.872,0.529,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4266387","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010001","LMST04010001","3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholan-24-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5","Cholic acid","C24 bile acids, alcohols, and derivatives [ST0401]",4266387,".","BBA0084","Cholic Acid","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(C[C@@]([H])(O[H])[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010025",83,1.292,63.573,0.544,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850913","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010025","LMST04010025","3alpha,6beta-Dihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",392.293,"C24H40O4",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850913,".","BBA0025",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(C[C@@]([H])(O[H])[C@]2([H])C[C@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010027",84,0.585,62.697,0.539,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850915","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010027","LMST04010027","3beta,6beta-Dihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",392.293,"C24H40O4",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850915,".","BBA0027",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(C[C@]([H])(O[H])[C@@]2([H])C[C@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010030",85,1.569,60.946,0.517,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850918","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010030","LMST04010030","3beta,6alpha-Dihydroxy-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",392.293,"C24H40O4",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850918,".","BBA0030",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010032",86,1.367,64.974,0.558,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850920","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010032","LMST04010032","3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",392.293,"C24H40O4","Chenodeoxycholic Acid","C24 bile acids, alcohols, and derivatives [ST0401]",7850920,".","BBA0032",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@]([H])(C[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010037",87,1.686,62.522,0.527,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850925","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010037","LMST04010037","3alpha,7beta-Dihydroxy-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",392.293,"C24H40O4",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850925,".","BBA0037",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(C[C@@]([H])(O[H])[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010058",88,1.759,61.646,0.518,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850946","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010058","LMST04010058","1beta,3alpha,7alpha-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850946,".","BBA0058",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@]([H])(O[H])[C@]([H])(C[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010059",89,2.137,65.324,0.557,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850947","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010059","LMST04010059","2beta,3alpha,7alpha-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850947,".","BBA0059",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])[C@@]([H])(O[H])[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010060",90,2.257,64.623,0.555,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850948","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010060","LMST04010060","3alpha,4beta,7alpha-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850948,".","BBA0060",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])[C@@]([H])(O[H])[C@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010061",91,1.267,65.849,0.569,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850949","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010061","LMST04010061","3beta,4beta,7alpha-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850949,".","BBA0061",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@@]2(C[C@@]([H])(CC[C@]12C)O[H])O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010062",92,2.148,65.149,0.557,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850950","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010062","LMST04010062","3alpha,5beta,7alpha-Trihydroxycholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850950,".","BBA0062",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010066",93,0.981,63.222,0.543,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850954","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010066","LMST04010066","3alpha,6beta,7alpha-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850954,".","BBA0066",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010073",94,1.958,62.697,0.526,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850961","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010073","LMST04010073","3alpha,6alpha,7beta-Trihydroxy-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850961,".","BBA0073",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010075",95,2.322,60.771,0.503,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850963","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010075","LMST04010075","3alpha,6beta,7beta-Trihydroxy-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850963,".","BBA0075",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])(C[C@@]([H])(O[H])[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010081",96,1.226,65.149,0.551,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850969","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010081","LMST04010081","3alpha,6beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850969,".","BBA0081",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])(C[C@@]([H])(O[H])[C@]2([H])C[C@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010083",97,1.699,63.397,0.535,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850971","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010083","LMST04010083","3beta,6beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850971,".","BBA0083",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010088",98,0.966,61.821,0.521,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850975","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010088","LMST04010088","3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850975,".","BBA0088",".","."]
["C[C@]34[C@@]([H])(C[C@@]1([H])[C@@]([H])([C@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010089",99,0.863,64.273,0.549,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850976","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010089","LMST04010089","3alpha,7beta,12beta-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850976,".","BBA0089",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@]([H])(C[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010096",100,1.377,61.121,0.516,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850983","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010096","LMST04010096","3alpha,7beta,12alpha-Trihydroxy-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850983,".","BBA0096",".","."]
["C[C@]34[C@@]([H])(C[C@@]1([H])[C@@]([H])([C@]([H])(C[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010097",101,0.953,64.098,0.546,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850984","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010097","LMST04010097","3alpha,7beta,12beta-Trihydroxy-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850984,".","BBA0097",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])[C@@]([H])(CC(=O)O[H])O[H]","LMST04010100",102,1.806,65.149,0.559,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850987","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010100","LMST04010100","(22R)-3alpha,7alpha,22-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850987,".","BBA0100",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])[C@]([H])(CC(=O)O[H])O[H]","LMST04010101",103,1.618,65.324,0.554,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850988","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010101","LMST04010101","(22S)-3alpha,7alpha,22-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850988,".","BBA0101",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])C[C@@]([H])(O[H])C(=O)O[H]","LMST04010102",104,1.528,63.923,0.547,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850989","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010102","LMST04010102","(23R)-3alpha,7alpha,23-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850989,".","BBA0102",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])C[C@]([H])(O[H])C(=O)O[H]","LMST04010103",105,1.858,65.499,0.555,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850990","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010103","LMST04010103","(23S)-3alpha,7alpha,23-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850990,".","BBA0103",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])C[C@@]([H])(O[H])[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010107",106,1.263,64.448,0.553,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850994","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010107","LMST04010107","3alpha,7alpha,16alpha-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850994,".","BBA0107",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])(CC[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])[C@]([H])(C[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H])O[H]","LMST04010110",107,0.797,64.448,0.552,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7850997","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010110","LMST04010110","3alpha,12alpha,15alpha-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7850997,".","BBA0110",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(C[C@@]([H])(O[H])[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010114",108,0.724,63.047,0.526,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851001","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010114","LMST04010114","1beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",424.282,"C24H40O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851001,".","BBA0114",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])[C@@]([H])(O[H])[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010116",109,2.249,67.075,0.573,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851003","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010116","LMST04010116","3alpha,4beta,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",424.282,"C24H40O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851003,".","BBA0116",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])[C@@]([H])(O[H])[C@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010117",110,1.729,64.974,0.55,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851004","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010117","LMST04010117","3beta,4beta,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",424.282,"C24H40O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851004,".","BBA0117",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(O[H])[C@]([H])(O[H])[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010119",111,1.983,64.098,0.54,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851006","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010119","LMST04010119","3alpha,6alpha,7beta,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",424.282,"C24H40O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851006,".","BBA0119",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010120",112,1.187,66.375,0.569,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851007","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010120","LMST04010120","3alpha,6beta,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",424.282,"C24H40O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851007,".","BBA0120",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010121",113,1.347,63.222,0.534,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851008","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010121","LMST04010121","3alpha,6beta,7beta,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",424.282,"C24H40O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851008,".","BBA0121",".","."]
["C[C@]34[C@@]([H])(C[C@@]1([H])[C@@]([H])([C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010122",114,1.239,64.799,0.557,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851009","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010122","LMST04010122","3alpha,6beta,7alpha,12beta-Tetrahydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",424.282,"C24H40O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851009,".","BBA0122",".","."]
["C[C@]34[C@@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010123",115,1.753,64.448,0.542,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851010","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010123","LMST04010123","3alpha,6beta,7beta,12beta-Tetrahydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",424.282,"C24H40O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851010,".","BBA0123",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010124",116,1.927,63.748,0.539,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851011","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010124","LMST04010124","3alpha,6alpha,7beta,12alpha-Tetrahydroxy-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",424.282,"C24H40O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851011,".","BBA0124",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010125",117,2.19,63.923,0.535,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851012","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010125","LMST04010125","3alpha,6beta,7beta,12alpha-Tetrahydroxy-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",424.282,"C24H40O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851012,".","BBA0125",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(CC(=O)[C@@]2([H])CC(=O)CC[C@]12C)[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010135",118,2.206,62.872,0.535,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851022","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010135","LMST04010135","3,6-Dioxo-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",388.261,"C24H36O4",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851022,".","BBA0135",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(C(=O)C[C@@]2([H])CC(=O)CC[C@]12C)[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010137",119,1.393,62.872,0.539,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851024","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010137","LMST04010137","3,7-Dioxo-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",388.261,"C24H36O4",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851024,".","BBA0137",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(CC(=O)[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010148",120,2.174,62.872,0.529,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851035","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010148","LMST04010148","3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",390.277,"C24H38O4",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851035,".","BBA0148",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(CC(=O)[C@@]2([H])C[C@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010149",121,1.973,63.573,0.543,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851036","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010149","LMST04010149","3beta-Hydroxy-6-oxo-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",390.277,"C24H38O4",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851036,".","BBA0149",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(C[C@@]([H])(O[H])[C@]2([H])CC(=O)CC[C@]12C)[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010159",122,1.227,63.748,0.547,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851046","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010159","LMST04010159","6beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",390.277,"C24H38O4",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851046,".","BBA0159",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@]([H])(C[C@]2([H])CC(=O)CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010162",123,0.911,61.296,0.517,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851049","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010162","LMST04010162","7beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",390.277,"C24H38O4",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851049,".","BBA0162",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@@]2([H])CC(=O)CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010163",124,1.191,61.121,0.526,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851050","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010163","LMST04010163","7alpha-Hydroxy-3-oxo-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",390.277,"C24H38O4",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851050,".","BBA0163",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@]([H])(O[H])C(=O)[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010174",125,1.923,64.273,0.554,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851061","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010174","LMST04010174","3alpha,7alpha-Dihydroxy-6-oxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",406.272,"C24H38O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851061,".","BBA0174",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(O[H])C(=O)[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010175",126,2.161,63.397,0.536,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851062","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010175","LMST04010175","3alpha,7beta-Dihydroxy-6-oxo-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",406.272,"C24H38O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851062,".","BBA0175",".","."]
["C[C@]34C(=O)C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010176",127,1.704,62.697,0.532,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851063","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010176","LMST04010176","3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",406.272,"C24H38O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851063,".","BBA0176",".","."]
["C[C@]34C(=O)C[C@@]1([H])[C@@]([H])([C@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010177",128,1.899,62.697,0.534,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851064","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010177","LMST04010177","3alpha,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",406.272,"C24H38O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851064,".","BBA0177",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])(CC[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@@]3([H])C(=O)C[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010189",129,0.232,61.646,0.521,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851076","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010189","LMST04010189","3alpha,12alpha-Dihydroxy-15-oxo-5beta,14beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",406.272,"C24H38O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851076,".","BBA0189",".","."]
["C[C@]34C(=O)C[C@@]1([H])[C@@]([H])([C@]([H])(C[C@]2([H])CC(=O)CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010195",130,1.249,62.522,0.528,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851082","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010195","LMST04010195","7beta-Hydroxy-3,12-dioxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",404.256,"C24H36O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851082,".","BBA0195",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])(C(=O)C[C@]2([H])CC(=O)CC[C@]12C)[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010196",131,0.991,61.996,0.522,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851083","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010196","LMST04010196","12alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",404.256,"C24H36O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851083,".","BBA0196",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(C[C@@]([H])(O[H])C2=C[C@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010214",132,0.671,61.821,0.526,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851101","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010214","LMST04010214","3beta,6beta-Dihydroxychol-4-en-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",390.277,"C24H38O4",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851101,".","BBA0214",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@]([H])(C[C@]2([H])C[C@@]([H])(C[C@@]([H])(O[H])[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010246",133,2.103,62.347,0.527,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851132","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010246","LMST04010246","1beta,3alpha,7beta-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851132,".","BBA0246",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@]([H])(C[C@@]2(C[C@@]([H])(CC[C@]12C)O[H])O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010247",134,1.776,60.946,0.507,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851133","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010247","LMST04010247","3alpha,5beta,7beta-Trihydroxycholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851133,".","BBA0247",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@]([H])(CCC(=O)O[H])CO[H]","LMST04010248",135,1.53,63.047,0.533,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851134","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010248","LMST04010248","3alpha,7beta,21chi-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851134,".","BBA0248",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])[C@]([H])(CC(=O)O[H])O[H]","LMST04010249",136,1.484,61.996,0.522,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851135","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010249","LMST04010249","3alpha,7beta,22chi-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851135,".","BBA0249",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])C[C@@]([H])(O[H])C(=O)O[H]","LMST04010250",137,1.818,62.697,0.524,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851136","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010250","LMST04010250","(23R)-3alpha,7beta,23-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851136,".","BBA0250",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])C[C@]([H])(O[H])C(=O)O[H]","LMST04010251",138,2.233,61.646,0.519,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851137","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010251","LMST04010251","(23S)-3alpha,7beta,23-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851137,".","BBA0251",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@]([H])(O[H])[C@]([H])(O[H])[C@]2([H])C[C@]([H])(O[H])[C@]([H])(C[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010252",139,1.571,66.375,0.567,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851138","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010252","LMST04010252","2chi,3alpha,6alpha,7alpha-Tetrahydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",424.282,"C24H40O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851138,".","BBA0252",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])C[C@@]([H])(O[H])C(=O)O[H])O[H]","LMST04010254",140,1.333,63.047,0.528,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851140","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010254","LMST04010254","(23R)-3alpha,7alpha,12alpha,23-Tetrahydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",424.282,"C24H40O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851140,".","BBA0254",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12CO[H])O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010256",141,1.701,63.222,0.539,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851142","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010256","LMST04010256","3alpha,7alpha,19-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851142,".","BBA0256",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(C(=O)C[C@]2([H])CC(=O)CC(=O)[C@]12C)[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010259",142,1.776,64.098,0.548,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851145","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010259","LMST04010259","1,3,7-Trioxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",402.241,"C24H34O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851145,".","BBA0259",".","."]
["C[C@]34C(=O)C[C@@]1([H])[C@@]([H])(CC[C@]2([H])CC(=O)CC[C@]12C)[C@]3([H])C(=O)C[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010260",143,0.214,62.697,0.535,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851146","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010260","LMST04010260","3,12,15-Trioxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",402.241,"C24H34O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851146,".","BBA0260",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])C[C@]([H])(O[H])C(=O)O[H])O[H]","LMST04010261",144,1.689,65.149,0.556,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851147","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010261","LMST04010261","(23S)-3alpha,7alpha,12alpha,23-Tetrahydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",424.282,"C24H40O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851147,".","BBA0261",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(O[H])C(=O)[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010262",145,2.163,63.573,0.535,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851148","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010262","LMST04010262","3alpha,7beta,12alpha-Trihydroxy-6-oxo-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",422.267,"C24H38O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851148,".","BBA0262",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])(C[C@@]([H])(O[H])[C@]2([H])CC(=O)CC[C@]12C)[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010272",146,1.862,64.448,0.543,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851158","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010272","LMST04010272","6beta,12alpha-Dihydroxy-3-oxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",406.272,"C24H38O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851158,".","BBA0272",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])(C(=O)[C@]([H])(O[H])[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010274",147,2.015,63.397,0.536,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851160","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010274","LMST04010274","3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",422.267,"C24H38O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851160,".","BBA0274",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(C(=O)C[C@]2([H])C[C@@]([H])(CC(=O)[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010276",148,1.706,63.748,0.541,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851162","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010276","LMST04010276","3alpha-Hydroxy-1,7-dioxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",404.256,"C24H36O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851162,".","BBA0276",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@@]2([H])C[C@]([H])(O[H])[C@]([H])(C[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010294",149,1.656,62.872,0.527,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851180","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010294","LMST04010294","2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",424.282,"C24H40O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851180,".","BBA0294",".","."]
["C[C@]34C=C[C@@]1([H])[C@@]([H])([C@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010298",150,0.739,61.121,0.519,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851184","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010298","LMST04010298","3alpha,7beta-Dihydroxy-5beta-chol-11-en-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",390.277,"C24H38O4",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851184,".","BBA0298",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])(CC[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])[C@@]([H])(C[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H])O[H]","LMST04010300",151,0.692,62.172,0.521,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851186","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010300","LMST04010300","3alpha,12alpha,15beta-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851186,".","BBA0300",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])C[C@@]([H])(CO[H])O[H]","LMST04010303",152,1.685,64.974,0.561,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851189","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010303","LMST04010303","5beta-Cholane-3alpha,7alpha,23,24-tetrol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",394.308,"C24H42O4",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851189,".","BBA0342",".","."]
["C[C@]34C=C[C@@]1([H])C(CC[C@]2([H])CC(=O)CC[C@]12C)=C3CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010331",153,0.975,60.946,0.526,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851214","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010331","LMST04010331","3-Oxo-5beta-chola-8(14),11-dien-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",370.251,"C24H34O3",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851214,".","BBA0615",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(C(=O)C[C@]2([H])CC(=O)CC[C@]12C)[C@]3([H])CC[C@]4([H])[C@@](C)([H])C[C@@]([H])(O[H])C(=O)O[H]","LMST04010346",154,0.981,62.697,0.535,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851229","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010346","LMST04010346","(23R)-23-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",404.256,"C24H36O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851229,".","BBA0630",".","."]
["C[C@@]34C(=C2CC[C@]1([H])C[C@@]([H])(CC[C@]1(C)[C@@]2([H])C[C@]3([H])O[H])O[H])C(=O)C[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010357",155,1.727,62.697,0.536,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851238","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010357","LMST04010357","3alpha,12alpha-Dihydroxy-15-oxo-5beta-chol-8(14)-en-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",404.256,"C24H36O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851238,".","BBA0641",".","."]
["C[C@]34C(=O)C[C@@]1([H])[C@@]([H])(C(=O)C[C@]2([H])CC(=O)C=C[C@]12C)[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010362",156,1.369,62.872,0.54,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851243","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010362","LMST04010362","3,7,12-Trioxo-5beta-chol-1-en-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",400.225,"C24H32O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851243,".","BBA0646",".","."]
["C[C@]34[C@]([H])(O[H])C(=O)[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010383",157,1.469,64.448,0.552,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851263","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010383","LMST04010383","3alpha,7alpha,12beta-Trihydroxy-11-oxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",422.267,"C24H38O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851263,".","BBA0667",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(C[C@]([H])(O[H])C2=CC(=O)CC[C@]12C)[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010406",158,1.985,63.222,0.54,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851286","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010406","LMST04010406","6alpha-Hydroxy-3-oxochol-4-en-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",388.261,"C24H36O4",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851286,".","BBA0690",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])CC(=O)[C@]([H])(C[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010409",159,1.98,62.522,0.531,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851289","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010409","LMST04010409","2beta,7alpha,12alpha-Trihydroxy-3-oxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",422.267,"C24H38O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851289,".","BBA0693",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])[C@]([H])(C[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010411",160,1.577,63.397,0.539,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851290","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010411","LMST04010411","3alpha,7alpha,15alpha-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851290,".","BBA0695",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4(O[H])[C@@](C)([H])CCC(=O)O[H]","LMST04010414",161,1.451,62.347,0.522,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851293","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010414","LMST04010414","3alpha,7alpha,17alpha-Trihydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",408.288,"C24H40O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851293,".","BBA0698",".","."]
["C[C@]34C(=O)[C@@]([H])(O[H])[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010415",162,1.314,65.324,0.556,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851294","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010415","LMST04010415","3alpha,7alpha,11alpha-Trihydroxy-12-oxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",422.267,"C24H38O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851294,".","BBA0699",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@@]2(C[C@@]([H])(CC[C@]12C)O[H])O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H])O[H]","LMST04010419",163,2.502,61.821,0.516,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851298","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010419","LMST04010419","3alpha,5beta,7alpha,12alpha-Tetrahydroxycholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",424.282,"C24H40O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851298,".","BBA0703",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@@]2(C[C@@]([H])(CC[C@]12C)O[H])O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])C[C@@]([H])(O[H])C(=O)O[H]","LMST04010420",164,2.107,63.748,0.542,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851299","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010420","LMST04010420","(23R)-3alpha,5beta,7alpha,23-Tetrahydroxycholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",424.282,"C24H40O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851299,".","BBA0704",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4(O[H])[C@@](C)([H])C[C@@]([H])(O[H])C(=O)O[H]","LMST04010421",165,1.504,64.974,0.555,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851300","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010421","LMST04010421","(23R)-3alpha,7alpha,17alpha,23-Tetrahydroxy-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",424.282,"C24H40O6",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851300,".","BBA0705",".","."]
["C[C@]34C(=O)C[C@@]1([H])[C@@]([H])(C[C@@]([H])(O[H])[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010423",166,2.09,63.573,0.542,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851302","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010423","LMST04010423","3alpha,6beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",406.272,"C24H38O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851302,".","BBA0707",".","."]
["C[C@]34C(=O)C[C@@]1([H])[C@@]([H])(CC(=O)[C@@]2([H])CC(=O)CC[C@]12C)[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010425",167,2.051,62.172,0.532,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851304","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010425","LMST04010425","3,6,12-Trioxo-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",402.241,"C24H34O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851304,".","BBA0709",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(C(=O)C[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010426",168,1.391,62.347,0.534,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851305","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010426","LMST04010426","3alpha-Hydroxy-7-oxo-5alpha-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",390.277,"C24H38O4",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851305,".","BBA0710",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(C[C@@]([H])(O[H])C2=CC(=O)CC[C@]12C)[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010430",169,1.635,61.646,0.525,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851308","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010430","LMST04010430","6beta-Hydroxy-3-oxochol-4-en-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",388.261,"C24H36O4",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851308,".","BBA0714",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(CC=C2C[C@]([H])(CC[C@]12C)O[H])[C@]3([H])C/C=C4/[C@@](C)([H])CCC(=O)O[H]","LMST04010436",170,0.628,59.895,0.513,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851313","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010436","LMST04010436","3beta-Hydroxychola-5,16-dien-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",372.266,"C24H36O3",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851313,".","BBA0720",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])C(=O)CC(=O)O[H]","LMST04010439",171,0.935,63.573,0.555,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851316","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010439","LMST04010439","3alpha,7alpha-Dihydroxy-22-oxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",406.272,"C24H38O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851316,".","BBA0723",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(C(=O)[C@]([H])(O[H])[C@]2([H])CC(=O)CC[C@]12C)[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)O[H]","LMST04010440",172,0.15,62.697,0.53,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851317","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04010440","LMST04010440","6alpha-Hydroxy-3,7-dioxo-5beta-cholan-24-oic Acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",404.256,"C24H36O5",".","C24 bile acids, alcohols, and derivatives [ST0401]",7851317,".","BBA0724",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@]([H])(O[H])[C@]([H])(C[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@@](C)([H])CO[H])O[H]","LMST04030004",173,1.392,66.375,0.524,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851321","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030004","LMST04030004","5beta-Cholestane-2beta,3alpha,7alpha,12alpha,26-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",452.35,"C27H48O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851321,".","BBA0306",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@]([H])(O[H])[C@]([H])(C[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCCC([H])(CO[H])CO[H])O[H]","LMST04030005",174,1.873,66.55,0.531,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851322","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030005","LMST04030005","5beta-Cholestane-2beta,3alpha,7alpha,12alpha,26,27-hexol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",468.345,"C27H48O6",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851322,".","BBA0307",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCCC(CO[H])(CO[H])O[H])O[H]","LMST04030006",175,2.312,65.849,0.521,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851323","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030006","LMST04030006","5alpha-Cholestane-3alpha,7alpha,12alpha,25,26,27-hexol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",468.345,"C27H48O6",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851323,".","BBA0308",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@@]2([H])C[C@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCCC([H])(CO[H])CO[H])O[H]","LMST04030009",176,1.519,67.075,0.532,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851326","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030009","LMST04030009","5alpha-Cholestane-3beta,7alpha,12alpha,26,27-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",452.35,"C27H48O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851326,".","BBA0311",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@@]2([H])C[C@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@@](C)(CO[H])O[H])O[H]","LMST04030012",177,2.015,66.024,0.521,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851329","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030012","LMST04030012","5alpha-Cholestane-3beta,7alpha,12alpha,25,26-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",452.35,"C27H48O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851329,".","BBA0314",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@](C)(CO[H])O[H])O[H]","LMST04030015",178,2.082,65.674,0.526,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851332","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030015","LMST04030015","5alpha-Cholestane-3alpha,7alpha,12alpha,25,26-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",452.35,"C27H48O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851332,".","BBA0321",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@@](C)(CO[H])O[H])O[H]","LMST04030016",179,2.368,67.426,0.551,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851333","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030016","LMST04030016","5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",452.35,"C27H48O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851333,".","BBA0322",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CC[C@@]([H])(O[H])[C@](C)([H])CO[H])O[H]","LMST04030017",180,2.621,66.55,0.542,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851334","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030017","LMST04030017","5alpha-Cholestane-3alpha,7alpha,12alpha,24,26-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",452.35,"C27H48O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851334,".","BBA0325",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CC[C@]([H])(O[H])[C@@](C)([H])CO[H])O[H]","LMST04030018",181,1.373,66.024,0.524,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851335","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030018","LMST04030018","5beta-Cholestane-3alpha,7alpha,12alpha,24,26-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",452.35,"C27H48O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851335,".","BBA0326",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCCC([H])(CO[H])CO[H])O[H]","LMST04030019",182,1.804,66.55,0.526,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851336","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030019","LMST04030019","5alpha-Cholestane-3alpha,7alpha,12alpha,26,27-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",452.35,"C27H48O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851336,".","BBA0327",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CC[C@@]([H])(O[H])[C@](C)([H])CO[H]","LMST04030023",183,2.321,63.748,0.506,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851340","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030023","LMST04030023","5beta-Cholestane-3alpha,7alpha,24,26-tetrol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",436.355,"C27H48O4",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851340,".","BBA0331",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@](C)(CO[H])O[H]","LMST04030024",184,1.773,68.126,0.557,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851341","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030024","LMST04030024","5beta-Cholestane-3alpha,7alpha,25,26-tetrol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",436.355,"C27H48O4",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851341,".","BBA0332",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCCC([H])(CO[H])CO[H]","LMST04030025",185,2.145,67.426,0.545,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851342","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030025","LMST04030025","5beta-Cholestane-3alpha,7alpha,26,27-tetrol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",436.355,"C27H48O4",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851342,".","BBA0333",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@@](C)(CO[H])O[H]","LMST04030026",186,0.583,67.601,0.544,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851343","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030026","LMST04030026","5beta-Cholestane-3alpha,6beta,7beta,25,26-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",452.35,"C27H48O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851343,".","BBA0334",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(O[H])[C@]([H])(O[H])[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@](C)(CO[H])O[H]","LMST04030027",187,0.615,67.075,0.536,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851344","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030027","LMST04030027","5beta-Cholestane-3alpha,6alpha,7beta,25,26-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",452.35,"C27H48O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851344,".","BBA0335",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@](C)([H])CO[H]","LMST04030028",188,0.972,68.301,0.562,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851345","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030028","LMST04030028","5beta-Cholestane-3alpha,6beta,7alpha,26-tetrol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",436.355,"C27H48O4",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851345,".","BBA0336",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CC[C@]([H])(O[H])[C@](C)(CO[H])O[H])O[H]","LMST04030030",189,2.111,67.951,0.542,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851347","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030030","LMST04030030","5beta-Cholestane-3alpha,7alpha,12alpha,24,25,26-hexol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",468.345,"C27H48O6",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851347,".","BBA0338",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])C[C@@]([H])(CC(C)(C)O[H])O[H])O[H]","LMST04030038",190,2.041,68.301,0.542,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851355","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030038","LMST04030038","5beta-Cholestane-3alpha,7alpha,12alpha,23,25-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",452.35,"C27H48O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851355,".","BBA0351",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CC[C@@]([H])(O[H])C(C)(C)O[H])O[H]","LMST04030039",191,2.57,68.827,0.55,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851356","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030039","LMST04030039","5beta-Cholestane-3alpha,7alpha,12alpha,24,25-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",452.35,"C27H48O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851356,".","BBA0352",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CC[C@]([H])(O[H])C([H])(CO[H])CO[H])O[H]","LMST04030040",192,2.248,67.776,0.541,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851357","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030040","LMST04030040","5beta-Cholestane-3alpha,7alpha,12alpha,24,26,27-hexol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",468.345,"C27H48O6",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851357,".","BBA0353",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCCC([H])(CO[H])CO[H])O[H]","LMST04030041",193,1.77,66.9,0.531,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851358","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030041","LMST04030041","5beta-Cholestane-3alpha,7alpha,12alpha,26,27-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",452.35,"C27H48O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851358,".","BBA0356",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@]([H])(O[H])[C@]([H])(C[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@@](C)([H])C(=O)O[H])O[H]","LMST04030042",194,1.806,66.2,0.524,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851359","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030042","LMST04030042","2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",466.329,"C27H46O6",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851359,".","BBA0362",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])[C@]([H])(CC[C@@](C)([H])C(=O)O[H])O[H])O[H]","LMST04030043",195,1.171,66.55,0.528,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851360","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030043","LMST04030043","3alpha,7alpha,12alpha,22-Tetrahydroxy-5beta-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",466.329,"C27H46O6",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851360,".","BBA0363",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CC[C@]([H])(O[H])[C@@](C)([H])C(=O)O[H])O[H]","LMST04030044",196,1.969,68.301,0.547,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851361","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030044","LMST04030044","3alpha,7alpha,12alpha,24-Tetrahydroxy-5alpha-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",466.329,"C27H46O6",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851361,".","BBA0364",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])C[C@@]([H])(C[C@](C)([H])C(=O)O[H])O[H])O[H]","LMST04030045",197,1.677,67.25,0.541,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851362","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030045","LMST04030045","3alpha,7alpha,12alpha,23-Tetrahydroxy-5beta-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",466.329,"C27H46O6",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851362,".","BBA0365",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@@]2([H])C[C@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@](C)([H])C(=O)O[H])O[H]","LMST04030046",198,0.403,66.9,0.535,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851363","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030046","LMST04030046","3beta,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",450.335,"C27H46O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851363,".","BBA0366",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@]([H])(C[C@]2([H])CC(=O)CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@@](C)([H])C(=O)O[H])O[H]","LMST04030049",199,0.37,66.2,0.532,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851365","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030049","LMST04030049","7beta,12alpha-Dihydroxy-3-oxo-5beta-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",448.319,"C27H44O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851365,".","BBA0369",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])CC(=O)CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@](C)([H])C(=O)O[H])O[H]","LMST04030050",200,1.48,68.126,0.555,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851366","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030050","LMST04030050","7alpha,12alpha-Dihydroxy-3-oxo-5beta-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",448.319,"C27H44O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851366,".","BBA0370",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])(C(=O)C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@](C)([H])C(=O)O[H])O[H]","LMST04030052",201,2.071,65.149,0.517,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851368","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030052","LMST04030052","3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",448.319,"C27H44O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851368,".","BBA0372",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(CC[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@](C)([H])C(=O)O[H]","LMST04030054",202,0.117,65.849,0.524,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851370","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030054","LMST04030054","3alpha-Hydroxy-5beta-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",418.345,"C27H46O3",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851370,".","BBA0374",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@]([H])(C[C@]2([H])C[C@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@](C)([H])C(=O)O[H]","LMST04030057",203,2.187,63.748,0.502,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851373","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030057","LMST04030057","3beta,7beta-Dihydroxy-5beta-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",434.34,"C27H46O4",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851373,".","BBA0377",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@](C)([H])C(=O)O[H]","LMST04030058",204,1.14,64.448,0.514,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851374","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030058","LMST04030058","3alpha,7beta-Dihydroxy-5beta-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",434.34,"C27H46O4",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851374,".","BBA0378",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CC/C=C(\\C)C(=O)O[H]","LMST04030059",205,1.288,67.776,0.547,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851375","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030059","LMST04030059","3alpha,7alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",432.324,"C27H44O4",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851375,".","BBA0379",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])C/C=C/[C@](C)([H])C(=O)O[H]","LMST04030060",206,1.355,66.2,0.542,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851376","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030060","LMST04030060","3alpha,7alpha-Dihydroxy-5beta-cholest-23-en-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",432.324,"C27H44O4",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851376,".","BBA0380",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CC[C@@]([H])(O[H])[C@](C)([H])C(=O)O[H]","LMST04030062",207,2.407,65.499,0.519,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851378","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030062","LMST04030062","3alpha,7alpha,24-Trihydroxy-5beta-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",450.335,"C27H46O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851378,".","BBA0382",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CC/C=C(\\C)C(=O)O[H])O[H]","LMST04030064",208,1.868,67.776,0.547,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851380","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030064","LMST04030064","3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-en-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",448.319,"C27H44O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851380,".","BBA0384",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@](C)([H])C(=O)O[H]","LMST04030066",209,2.231,65.849,0.532,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851382","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030066","LMST04030066","3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",434.34,"C27H46O4",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851382,".","BBA0386",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CC[C@@]([H])(O[H])[C@](C)([H])C(=O)O[H])O[H]","LMST04030067",210,2.196,65.849,0.519,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851383","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030067","LMST04030067","3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",466.329,"C27H46O6",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851383,".","BBA0387",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@]([H])(O[H])[C@]([H])(O[H])[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@](C)([H])C(=O)O[H])O[H]","LMST04030071",211,0.691,66.55,0.533,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851385","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030071","LMST04030071","3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",466.329,"C27H46O6",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851385,".","BBA0391",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(CC=C2C[C@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@](C)([H])C(=O)O[H]","LMST04030072",212,0.482,64.799,0.524,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851386","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030072","LMST04030072","3beta-Hydroxycholest-5-en-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",416.329,"C27H44O3",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851386,".","BBA0392",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@@](C)(O[H])C(=O)O[H])O[H]","LMST04030073",213,2.316,67.601,0.537,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851387","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030073","LMST04030073","3alpha,7alpha,12alpha,25-Tetrahydroxy-5beta-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",466.329,"C27H46O6",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851387,".","BBA0393",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C=C2C[C@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CC[C@@]([H])(O[H])C(C)(C)O[H])O[H]","LMST04030082",214,2.593,67.776,0.548,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851393","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030082","LMST04030082","5-Cholestene-3beta,7alpha,12alpha,24,25-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",450.335,"C27H46O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851393,".","BBA0404",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C=C2C[C@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@@](C)(CO[H])O[H]","LMST04030083",215,2.043,64.799,0.517,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851394","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030083","LMST04030083","5-Cholestene-3beta,7alpha,25,26-tetrol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",434.34,"C27H46O4","7alpha,25,27-trihydroxycholesterol","C27 bile acids, alcohols, and derivatives [ST0403]",7851394,".","BBA0405",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C=C2C[C@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@](C)(CO[H])O[H])O[H]","LMST04030084",216,2.017,65.849,0.52,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851395","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030084","LMST04030084","5-Cholestene-3beta,7alpha,12alpha,25,26-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",450.335,"C27H46O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851395,".","BBA0406",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])C[C@@]([H])(CC(C)(C)O[H])O[H])O[H]","LMST04030086",217,2.518,66.024,0.516,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851396","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030086","LMST04030086","5alpha-Cholestane-3alpha,7alpha,12alpha,23,25-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",452.35,"C27H48O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851396,".","BBA0412",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCCC([H])(CO[H])CO[H]","LMST04030087",218,2.186,64.974,0.516,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851397","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030087","LMST04030087","5alpha-Cholestane-3alpha,7alpha,26,27-tetrol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",436.355,"C27H48O4",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851397,".","BBA0413",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])[C@@]([H])(CC[C@](C)([H])CO[H])O[H])O[H]","LMST04030091",219,1.816,66.2,0.53,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851401","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030091","LMST04030091","5beta-Cholestane-3alpha,7alpha,12alpha,22,26-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",452.35,"C27H48O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851401,".","BBA0417",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])C[C@@]([H])(C[C@@](C)([H])CO[H])O[H])O[H]","LMST04030092",220,1.721,67.426,0.541,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851402","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030092","LMST04030092","5beta-Cholestane-3alpha,7alpha,12alpha,23,26-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",452.35,"C27H48O5",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851402,".","BBA0418",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CC[C@@]([H])(O[H])C(C)(C)O[H]","LMST04030117",221,2.624,66.2,0.539,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851425","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030117","LMST04030117","5beta-Cholestane-3alpha,7alpha,24,25-tetrol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",436.355,"C27H48O4",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851425,".","BBA0443",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(CC[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CC[C@@]([H])(O[H])C(C)(C)O[H]","LMST04030118",222,2.562,67.426,0.545,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851426","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030118","LMST04030118","5beta-Cholestane-3alpha,24,25-triol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",420.36,"C27H48O3",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851426,".","BBA0444",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@]([H])(O[H])[C@]([H])(O[H])[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CC/C=C(\\C)C(=O)O[H])O[H]","LMST04030128",223,0.647,67.25,0.527,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851434","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030128","LMST04030128","3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",464.314,"C27H44O6",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851434,".","BBA0454",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@@](C)([H])C(=O)O[H]","LMST04030130",224,1.848,66.375,0.531,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851436","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030130","LMST04030130","3alpha,7alpha-Dihydroxy-5alpha-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",434.34,"C27H46O4",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851436,".","BBA0456",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(C(=O)C[C@@]2([H])CC(=O)CC[C@]12C)[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@](C)([H])C(=O)O[H]","LMST04030133",225,2.023,67.601,0.553,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851439","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04030133","LMST04030133","3,7-Dioxo-5alpha-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",430.308,"C27H42O4",".","C27 bile acids, alcohols, and derivatives [ST0403]",7851439,".","BBA0462",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CC[C@](C)(O[H])[C@](C)([H])C(=O)O[H])O[H]","LMST04040001",226,2.644,69.352,0.547,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851448","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04040001","LMST04040001","3alpha,7alpha,12alpha,24-tetrahydroxy-24-methyl-5beta-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",480.345,"C28H48O6",".","C28 bile acids, alcohols, and derivatives [ST0404]",7851448,".","BBA0358",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])[C@@]([H])(CO[H])O[H])O[H]","LMST04060001",227,0.946,61.121,0.525,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851451","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04060001","LMST04060001","24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",396.288,"C23H40O5",".","C23 bile acids, alcohols, and derivatives [ST0406]",7851451,".","BBA0492",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])[C@]([H])(CO[H])O[H]","LMST04060004",228,1.138,61.821,0.54,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851454","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04060004","LMST04060004","24-Nor-5beta-cholane-3alpha,7alpha,22,23-tetrol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",380.293,"C23H40O4",".","C23 bile acids, alcohols, and derivatives [ST0406]",7851454,".","BBA0495",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])([C@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])[C@]([H])(CO[H])O[H]","LMST04060005",229,1.206,61.121,0.526,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7851455","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04060005","LMST04060005","24-Nor-5beta-cholane-3alpha,7beta,22,23-tetrol","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",380.293,"C23H40O4",".","C23 bile acids, alcohols, and derivatives [ST0406]",7851455,".","BBA0496",".","."]
["C[C@]34[C@]([H])(C[C@@]1([H])[C@@]([H])([C@@]([H])(C[C@]2([H])C[C@@]([H])(CC[C@]12C)O[H])O[H])[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC[C@]([H])(CCC(=O)O[H])C(=O)O[H])O[H]","LMST04080001",230,1.918,73.555,0.578,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14715487","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST04080001","LMST04080001","3alpha,7alpha,12alpha-trihydroxy-27-carboxymethyl-5beta-cholestan-26-oic acid","Sterol Lipids [ST]","Bile acids and derivatives [ST04]",508.34,"C29H48O7",".","C29 bile acids, alcohols, and derivatives [ST0408]",14715487,".","BBA0394","3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid","."]
["C[C@]12CC[C@]([H])(C[C@]1([H])CC[C@]4([H])[C@]2([H])CC[C@]3(C)C(=O)CC[C@@]34[H])O[C@]5([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]5([H])O[H]","LMST05010001",231,1.99,63.397,0.515,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4266390","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST05010001","LMST05010001","3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide","Sterol Lipids [ST]","Steroid conjugates [ST05]",466.257,"C25H38O8",".","Glucuronides [ST0501]",4266390,".",".",".","."]
["C[C@]12CC[C@]([H])(C[C@]1([H])CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])O[H])O[C@]5([H])O[C@@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]5([H])O[H]","LMST05010004",232,2.33,65.499,0.533,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702342","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST05010004","LMST05010004","Androstane-3alpha,17beta-diol 3-D-glucuronide","Sterol Lipids [ST]","Steroid conjugates [ST05]",468.272,"C25H40O8","3alpha-androstanediol glucuronide","Glucuronides [ST0501]",24702342,".",".",".","."]
["C[C@@]45CC[C@@]3([H])C=2C=CC(O[C@]1([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])=CC=2CC[C@]3([H])[C@]4([H])CC[C@@]5([H])O[H]","LMST05010005",233,1.774,64.799,0.552,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702343","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST05010005","LMST05010005","estra-1,3,5(10)-triene-3,17alpha-diol 3-D-glucuronide","Sterol Lipids [ST]","Steroid conjugates [ST05]",448.21,"C24H32O8","17alpha-Estradiol 3-D-glucuronide","Glucuronides [ST0501]",24702343,"C04300",".",".","."]
["C[C@]45CC[C@]3([H])C=2C=CC(O[C@]1([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])=CC=2CC[C@@]3([H])[C@]4([H])CC[C@]5([H])O[H]","LMST05010007",234,1.639,62.347,0.522,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702345","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST05010007","LMST05010007","estra-1,3,5(10)-triene-3,17beta-diol 3-D-glucuronide","Sterol Lipids [ST]","Steroid conjugates [ST05]",448.21,"C24H32O8","17beta-Estradiol 3-(beta-D-glucuronide)","Glucuronides [ST0501]",24702345,"C05503",".",".","."]
["C[C@]35CC[C@]2([H])C=1C=CC(O[H])=CC=1CC[C@@]2([H])[C@]3([H])C[C@@]([H])(O[C@]4([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@]5([H])O[H]","LMST05010008",235,1.892,66.2,0.565,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702346","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST05010008","LMST05010008","estra-1,3,5(10)-triene-3,16alpha,17beta-triol 16-D-glucuronide","Sterol Lipids [ST]","Steroid conjugates [ST05]",464.205,"C24H32O9","16alpha,17beta-Estriol 16-(beta-D-glucuronide)","Glucuronides [ST0501]",24702346,"C05504",".",".","."]
["C[C@]34CC[C@]2([H])C=1/C=C(/OC)C(=CC=1CC[C@@]2([H])[C@]3([H])CC[C@]4([H])O[H])O[C@]5([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","LMST05010009",236,2.459,65.499,0.537,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702347","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST05010009","LMST05010009","2-methoxy-estra-1,3,5(10)-triene-3,17beta-diol 3-D-glucuronide","Sterol Lipids [ST]","Steroid conjugates [ST05]",478.22,"C25H34O9","2-Methoxy-estradiol-17beta 3-glucuronide","Glucuronides [ST0501]",24702347,"C11131",".",".","."]
["C[C@]45CC[C@]3([H])C=2/C=C(/OC)C(O[C@]1([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])=CC=2CC[C@@]3([H])[C@]4([H])CCC5=O","LMST05010010",237,1.772,66.55,0.544,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702348","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST05010010","LMST05010010","2-methoxy,3-hydroxy-estra-1,3,5(10)-trien-17-one 3-D-glucuronide","Sterol Lipids [ST]","Steroid conjugates [ST05]",476.205,"C25H32O9","2-Methoxyestrone 3-glucuronide","Glucuronides [ST0501]",24702348,"C11132",".",".","."]
["C[C@]45CC[C@]3([H])C=2C=CC(O[C@]1([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])=CC=2CC[C@@]3([H])[C@]4([H])CCC5=O","LMST05010011",238,1.55,61.646,0.521,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702349","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST05010011","LMST05010011","3-hydroxy-estra-1,3,5(10)-trien-17-one 3-D-glucuronide","Sterol Lipids [ST]","Steroid conjugates [ST05]",446.194,"C24H30O8","Estrone 3-glucuronide","Glucuronides [ST0501]",24702349,"C11133",".",".","."]
["C[C@]12CCC(=O)C=C1CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])O[C@]5([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","LMST05010012",239,1.226,65.324,0.534,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702350","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST05010012","LMST05010012","17beta-hydroxyandrost-4-en-3-one 3-D-glucuronide","Sterol Lipids [ST]","Steroid conjugates [ST05]",464.241,"C25H36O8","Testosterone glucuronide","Glucuronides [ST0501]",24702350,"C11134",".",".","."]
["C[C@]23CC[C@@]([H])(O[C@]1([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C[C@@]2([H])CC[C@]4([H])[C@]3([H])CC[C@]5(C)C(=O)CC[C@@]45[H]","LMST05010014",240,0.743,62.872,0.506,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702352","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST05010014","LMST05010014","3alpha-hydroxy-5beta-androstan-17-one 3-D-glucuronide","Sterol Lipids [ST]","Steroid conjugates [ST05]",466.257,"C25H38O8","Etiocholan-3alpha-ol-17-one 3-glucuronide","Glucuronides [ST0501]",24702352,"C11136",".",".","."]
["[O-]C(=O)[C@@]5([H])O[C@@]([H])(O[C@@]4([H])C[C@@]2([H])[C@]1([H])CC[C@@]([H])([C@@]1(C)CC[C@]2([H])[C@@]3(C)CC[C@]([H])(C[C@@]34[H])O[H])[C@@](C)([H])CCC(=O)O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]5([H])O[H]","LMST05010016",241,1.918,69.877,0.522,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702354","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST05010016","LMST05010016","3alpha,6alpha-dihydroxy-5beta-cholan-24-oic acid 6-D-glucuronide","Sterol Lipids [ST]","Steroid conjugates [ST05]",567.317,"C30H47O10","6alpha-Glucuronosylhyodeoxycholate","Glucuronides [ST0501]",24702354,"C11246",".",".","."]
["C[C@]45CC[C@]3([H])C2=C/C=C(/O[C@]1([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C=C2CC[C@@]3([H])[C@]4([H])C[C@@]([H])(O[H])[C@]5([H])O[H]","LMST05010017",242,2.384,63.397,0.523,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702355","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST05010017","LMST05010017","estra-1,3,5(10)-triene-3,16alpha,17beta-triol 3-D-glucuronide","Sterol Lipids [ST]","Steroid conjugates [ST05]",464.205,"C24H32O9","16alpha,17beta-Estriol 3-(beta-D-glucuronide)","Glucuronides [ST0501]",24702355,"C11288",".",".","."]
["O=[S](=O)(O[H])O/C1=C/C=C2C(=C1)CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])O[C@]5([H])O[C@]([H])(C(=O)[O-])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H]","LMST05010018",243,2.039,64.623,0.516,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702356","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST05010018","LMST05010018","estra-1,3,5(10)-triene-3,17beta-diol 3-sulfate-17-D-glucuronide","Sterol Lipids [ST]","Steroid conjugates [ST05]",527.159,"C24H31O11S","17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide)","Glucuronides [ST0501]",24702356,"C11289",".",".","."]
["C[C@]34CC[C@@]1([H])[C@@]([H])(CC[C@]2([H])C[C@]([H])(O[S](=O)(=O)O[H])CC[C@]12C)[C@]3([H])CC[C@]4([H])[C@@](C)([H])CCC(=O)N([H])CC[S](=O)(=O)O[H]","LMST05020003",244,2.249,69.877,0.523,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702358","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST05020003","LMST05020003","N-(3alpha-hydroxy-5beta-cholan-24-oyl)-taurine 3-sulfate","Sterol Lipids [ST]","Steroid conjugates [ST05]",563.259,"C26H45NO8S2","Taurolithocholate sulfate","Sulfates [ST0502]",24702358,"C03642",".",".","."]
["O=[S](=O)(OC[C@]([H])(CCC[C@@](C)([H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@]([H])(O[H])C[C@@]1([H])C[C@]([H])(O[H])CC[C@@]1(C)[C@@]2([H])C[C@]([H])(O[H])[C@]34C)CO[H])O[H]","LMST05020004",245,0.183,71.103,0.549,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702359","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST05020004","LMST05020004","3alpha,7alpha,12alpha,26,27-pentahydroxy-5beta-cholestane 26-sulfate","Sterol Lipids [ST]","Steroid conjugates [ST05]",532.307,"C27H48O8S","5beta-Cyprinolsulfate","Sulfates [ST0502]",24702359,"C05468",".",".","."]
["C[C@]12[C@]([H])(C[C@@]4([H])[C@]([H])([C@]1([H])CC[C@]2([H])[C@@](C)([H])CCC(=O)N([H])CC(=O)O[H])[C@@]([H])(C[C@]3([H])C[C@@]([H])(CC[C@]34C)O[H])O[H])O[H]","LMST05030001",246,1.658,68.476,0.549,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=4266392","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST05030001","LMST05030001","N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-glycine","Sterol Lipids [ST]","Steroid conjugates [ST05]",465.309,"C26H43NO6",".","Glycine conjugates [ST0503]",4266392,".",".","Glycocholic Acid","."]
["C[C@]12CC[C@@]3([H])[C@]([H])([C@]1([H])CC[C@]2([H])[C@@](C)([H])CCC(=O)N([H])CC[S](=O)(=O)O[H])[C@@]([H])(C[C@]4([H])C[C@]([H])(O[H])CC[C@]34C)O[H]","LMST05040005",247,1.818,68.126,0.53,"http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=24702369","http://www.lipidmaps.org/data/get_lm_lipids_dbgif.php?LM_ID=LMST05040005","LMST05040005","N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)-taurine","Sterol Lipids [ST]","Steroid conjugates [ST05]",499.297,"C26H45NO6S","Taurochenodeoxycholate","Taurine conjugates [ST0504]",24702369,"C05465",".",".","."]

{"sheet":"Rifampicin & HMDB (no shape)","index":17,"n_rows":15,"n_cols":4,"rows_kept":15,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Structure","Name","Index","FitValue"]
["O=C2C=1N=CN(C=1N=C(N2[H])N([H])[H])[C@]4([H])O[C@]([H])(CO[P@@](=O)(O[H])O[P@@](=O)(O[H])O[C@]3([H])O[C@](C)([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H])[C@@]([H])(O[H])[C@@]4([H])O[H]","Beginning of SDF File of HMDB01095#GDP-L-fucose",1,0.297]
["O=C2C=1N=CN(C=1N=C(N2[H])N([H])[H])[C@]4([H])O[C@]([H])(CO[P@@](=O)(O[H])O[P@](=O)(O[H])O[C@@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])[C@@]([H])(O[H])[C@@]4([H])O[H]","Beginning of SDF File of HMDB01163#Guanosine diphosphate mannose",2,0.667]
["O=[P@](OC[C@@]3([H])O[C@@]([H])(N2C=NC1=C(N=CN=C12)N([H])[H])[C@]([H])(O[H])[C@]3([H])O[H])(O[P@@](=O)(OC[C@@]5([H])O[C@@]([H])([N+]4=CC=CC(=C4)C(=O)[O-])[C@]([H])(O[H])[C@]5([H])O[H])O[H])O[H]","Beginning of SDF File of HMDB01179#Nicotinic acid adenine dinucleotide",3,0.737]
["C/C6=C/C=5N=C1C(=NC(=O)N([H])C1=O)N(C[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(CO[P@](=O)(O[H])O[P@@](=O)(O[H])OC[C@@]4([H])O[C@@]([H])(N3C=NC2=C(N=CN=C23)N([H])[H])[C@]([H])(O[H])[C@]4([H])O[H])O[H])C=5/C=C6/C","Beginning of SDF File of HMDB01248#FAD",4,1.815]
["O=[P@@](OC[C@@]3([H])O[C@@]([H])(N2C=NC1=C(N=CN=C12)N([H])[H])[C@]([H])(O[H])[C@]3([H])O[H])(O[P@](=O)(OC[C@@]4([H])O[C@@]([H])(N([H])C(=NCCC[C@]([H])(C(=O)O[H])N([H])[H])N([H])[H])[C@]([H])(O[H])[C@@]4([H])O[H])O[H])O[H]","Beginning of SDF File of HMDB01260#ADP-Ribosyl-L-arginine",5,2.884]
["O=C2C=1N=CN(C=1N=C(N2[H])N([H])[H])[C@]6([H])O[C@]([H])(CO[P@](=O)(O[H])O[P@@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC[C@@]5([H])O[C@@]([H])(N4C=NC=3C(=O)N([H])C(=NC=34)N([H])[H])[C@]([H])(O[H])[C@]5([H])O[H])[C@@]([H])(O[H])[C@@]6([H])O[H]","Beginning of SDF File of HMDB01340#Diguanosine tetraphosphate",6,1.639]
["O=C2C=1N=CN(C=1N=C(N2[H])N([H])[H])[C@]4([H])O[C@]([H])(CO[P@@](=O)(O[H])O[P@@](=O)(O[H])O[C@@]3([H])O[C@@](C)([H])C(=O)[C@]([H])(O[H])[C@]3([H])O[H])[C@@]([H])(O[H])[C@@]4([H])O[H]","Beginning of SDF File of HMDB01346#GDP-4-Dehydro-6-deoxy-D-mannose",7,0.177]
["O=C2N=C(N([H])C=1N(C=NC=12)[C@]6([H])O[C@]([H])(CO[P@@](=O)(O[H])O[P](=O)(O[H])O[P@](=O)(O[H])OC[C@@]5([H])O[C@@]([H])(N3C=NC4=C3N([H])C(=NC4=O)N([H])[H])[C@]([H])(O[H])[C@]5([H])O[H])[C@@]([H])(O[H])[C@@]6([H])O[H])N([H])[H]","Beginning of SDF File of HMDB01379#Diguanosine triphosphate",8,0.701]
["O=C2N=C(N([H])C=1N(C=NC=12)[C@]6([H])O[C@]([H])(CO[P@](=O)(O[H])O[P@](=O)(O[H])O[P](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC[C@]5([H])O[C@]([H])(N3C=NC4=C3N([H])C(=NC4=O)N([H])[H])[C@@]([H])(O[H])[C@@]5([H])O[H])[C@@]([H])(O[H])[C@@]6([H])O[H])N([H])[H]","Beginning of SDF File of HMDB01380#Diguanosine pentaphosphate",9,1.226]
["O=C2N=C(N([H])C=1N(C=NC=12)[C@]6([H])O[C@]([H])(CO[P@@](=O)(O[H])O[P@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OC[C@@]5([H])O[C@@]([H])(N3C=NC=4C(=NC=NC3=4)N([H])[H])[C@]([H])(O[H])[C@]5([H])O[H])[C@@]([H])(O[H])[C@@]6([H])O[H])N([H])[H]","Beginning of SDF File of HMDB01454#Guanosine tetraphosphate adenosine",10,0.501]
["O=C2N=C(N([H])C=1N(C=NC=12)[C@]6([H])O[C@]([H])(CO[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OC[C@@]5([H])O[C@@]([H])(N3C=NC=4C(=NC=NC3=4)N([H])[H])[C@]([H])(O[H])[C@]5([H])O[H])[C@@]([H])(O[H])[C@@]6([H])O[H])N([H])[H]","Beginning of SDF File of HMDB01472#Guanosine pentaphosphate adenosine",11,0.725]
["O=C2N=C(N([H])C=1N(C=NC=12)[C@]6([H])O[C@]([H])(CO[P@@](=O)(O[H])O[P@](=O)(O[H])OC[C@@]5([H])O[C@@]([H])(N3C=NC4=C3N([H])C(=NC4=O)N([H])[H])[C@]([H])(O[H])[C@]5([H])O[H])[C@@]([H])(O[H])[C@@]6([H])O[H])N([H])[H]","Beginning of SDF File of HMDB01507#Diguanosine diphosphate",12,0.852]
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{"sheet":"streptomycin & HMDB","index":18,"n_rows":87,"n_cols":6,"rows_kept":87,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Structure","Name","Index","FitValue","PercentFilled","ShapeSimilarity"]
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["C[C@@]([H])(CCC(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@@]([H])(C[C@@]1([H])C[C@@]([H])(O[H])[C@@]([H])(C[C@]1(C)[C@]2([H])C[C@@]([H])(O[H])[C@@]34C)O[H])O[H]","Beginning of SDF File of HMDB00316#2b,3a,7a,12a-Tetrahydroxy-5b-cholan",5,0.343,64.098,0.542]
["O=C(CC[C@](C)([H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@]([H])(O[H])C[C@@]1([H])[C@](C)(CC[C@@]([H])(O[H])[C@]1([H])O[H])[C@@]2([H])CC[C@]34C)O[H]","Beginning of SDF File of HMDB00320#3a,4b,7a-Trihydroxy-5b-cholanoic ac",6,2.318,64.623,0.555]
["C[C@]([H])(CCC(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])C[C@@]([H])(CC[C@]1(C)[C@@]2([H])C[C@]([H])(O[H])[C@]34C)O[H]","Beginning of SDF File of HMDB00367#3a,6b,7b,12a-Tetrahydroxy-5b-cholan",7,1.347,63.222,0.534]
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["C[C@]([H])(CCC(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])C[C@@]([H])(CC[C@]1(C)[C@@]2([H])C[C@@]([H])(O[H])[C@]34C)O[H]","Beginning of SDF File of HMDB00377#3a,6b,7b,12b-Tetrahydroxy-5b-cholan",9,1.753,64.448,0.542]
["C[C@]([H])(CCC(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@@]([H])(C[C@]1([H])C[C@@]([H])(CC[C@]1(C)[C@@]2([H])CC[C@]34C)O[H])O[H]","Beginning of SDF File of HMDB00384#3a,7a-Dihydroxycholanoic acid",10,1.367,64.974,0.558]
["C[C@]([H])(CCC(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@]([H])(C[C@]1([H])C[C@@]([H])(CC[C@]1(C)[C@@]2([H])C[C@@]([H])(O[H])[C@]34C)O[H])O[H]","Beginning of SDF File of HMDB00390#3a,7b,12b-Trihydroxy-5b-cholanoic a",11,0.863,64.273,0.549]
["C[C@]([H])(CCC(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])C[C@@]([H])(CC[C@]1(C)[C@@]2([H])C[C@]([H])(O[H])[C@]34C)O[H]","Beginning of SDF File of HMDB00399#3a,6b,7a,12a-Tetrahydroxy-5b-cholan",12,1.187,66.375,0.569]
["C[C@]([H])(CCC(=O)O[H])[C@@]1([H])CC[C@]3([H])[C@]1(C)C(=O)C[C@]4([H])[C@@]2(C)CC[C@]([H])(C[C@@]2([H])C[C@@]([H])(O[H])[C@@]34[H])O[H]","Beginning of SDF File of HMDB00400#3,7-Dihydroxy-12-oxocholanoic acid",13,1.704,62.697,0.532]
["C[C@]([H])(CCC(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@@]([H])(C[C@]1([H])C[C@]([H])(O[H])[C@]([H])(C[C@]1(C)[C@@]2([H])CC[C@]34C)O[H])O[H]","Beginning of SDF File of HMDB00404#2b,3a,7a-Trihydroxy-5b-cholanoic ac",14,2.137,65.324,0.557]
["C[C@]([H])(CCC(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@@]([H])(C[C@]1([H])C[C@@]([H])(C[C@@]([H])(O[H])[C@]1(C)[C@@]2([H])CC[C@]34C)O[H])O[H]","Beginning of SDF File of HMDB00414#1b,3a,7a-Trihydroxy-5b-cholanoic ac",15,1.759,61.646,0.518]
["CC(C)(O[H])[C@@]([H])(CC[C@](C)([H])[C@@]3([H])CC[C@@]2([H])C(=C/C=C1/C[C@@]([H])(CCC1=C)O[H])CCC[C@]23C)O[H]","Beginning of SDF File of HMDB00430#24,25-Dihydroxyvitamin D",16,2.215,64.974,0.516]
["C[C@]([H])(CCC(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@]([H])(C[C@@]1([H])C[C@@]([H])(CC[C@]1(C)[C@@]2([H])C[C@]([H])(O[H])[C@]34C)O[H])O[H]","Beginning of SDF File of HMDB00432#3a,7b,12a-Trihydroxy-5a-Cholanoic a",17,1.377,61.121,0.516]
["C[C@]([H])(CCC(=O)O[H])[C@@]3([H])CC[C@@]4([H])[C@]2([H])[C@]([H])(C[C@]1([H])C[C@@]([H])(C[C@]([H])(O[H])[C@]1(C)[C@@]2([H])C[C@@]([H])(O[H])[C@]34C)O[H])O[H]","Beginning of SDF File of HMDB00433#1,3,7,12-Tetrahydroxycholan-24-oic",18,1.963,64.974,0.549]
["C[C@]([H])(CCC(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@@]([H])(C[C@]1([H])[C@@]([H])(O[H])[C@@]([H])(CC[C@]1(C)[C@@]2([H])C[C@]([H])(O[H])[C@]34C)O[H])O[H]","Beginning of SDF File of HMDB00437#3a,4b,7a,12a-Tetrahydroxy-5b-cholan",19,2.249,67.075,0.573]
["O=C4C[C@@]1([H])C[C@]([H])(O[H])CC[C@]1(C)[C@@]3([H])CC[C@]2(C)[C@]([H])(CC[C@@]2([H])[C@]34[H])[C@@](C)([H])CCC(=O)O[H]","Beginning of SDF File of HMDB00467#Nutriacholic acid",20,1.391,62.347,0.534]
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["C[C@]12CC[C@@]3([H])[C@]([H])([C@]1([H])CC[C@]2([H])[C@@](C)([H])CCC(=O)O[H])[C@@]([H])(C[C@]4([H])C[C@@]([H])(CC[C@]34C)O[H])O[H]","Beginning of SDF File of HMDB00518#Chenodeoxycholic acid",22,1.367,64.974,0.558]
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["C[C@]12CC[C@@]4([H])[C@]([H])([C@]1([H])CC[C@]2([H])CCCC(=O)O[H])[C@@]([H])(C[C@]3([H])C[C@@]([H])(CC[C@]34C)O[S](=O)(=O)O[H])O[S](=O)(=O)O[H]","Beginning of SDF File of HMDB00545#Chenodeoxycholic acid disulfate",24,2.566,70.228,0.568]
["CC(C)(C[C@@]([H])(C[C@@](C)([H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])[C@@]([H])(C[C@@]1([H])C[C@@]([H])(CC[C@]1(C)[C@@]2([H])C[C@]([H])(O[H])[C@]34C)O[H])O[H])O[H])O[H]","Beginning of SDF File of HMDB00558#5a-Cholestane-3a,7a,12a,23,25-pento",25,0.702,68.651,0.545]
["O=C(CC[C@](C)([H])[C@@]1([H])CC[C@]3([H])[C@]1(C)[C@]([H])(C[C@]4([H])[C@@]2(C)CC[C@@]([H])(O[H])C[C@@]2([H])C[C@@]([H])(O[H])[C@@]34[H])O[H])O[H]","Beginning of SDF File of HMDB00619#Cholic acid",26,1.845,62.872,0.529]
["C[C@]([H])(CCC(=O)O[H])[C@@]4([H])CC[C@@]3([H])[C@]2([H])CC[C@]1([H])C[C@@]([H])(CC[C@]1(C)[C@@]2([H])C[C@]([H])(O[S](=O)(=O)O[H])[C@]34C)O[S](=O)(=O)O[H]","Beginning of SDF File of HMDB00659#Deoxycholic acid disulfate",27,2.462,70.228,0.563]
["C[C@]([H])(CCC(=O)N([H])CC(=O)O[H])[C@@]1([H])CC[C@]2([H])[C@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@]4([H])C[C@@]([H])(CC[C@]34C)O[H]","Beginning of SDF File of HMDB00698#Lithocholic acid glycine conjugate",28,0.576,65.324,0.533]
["[H]O[C@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[C@]1([H])O[C@]3([H])[C@]([H])(O[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])O[C@]2([H])CO[H])[C@]([H])(O[H])[C@@]3([H])O[H])CO[C@@]4([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])CO[H]","Beginning of SDF File of HMDB00757#Glycogen",29,0.673,69.702,0.511]
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["O=[P](O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N2C=NC=3C2=NC=NC=3N([H])[H])CO[P@](=O)(O[H])O[P@@](=O)(O[H])O[C@]4([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@@]4([H])O[H])(O[H])O[H]","Beginning of SDF File of HMDB06336#ADPribose 2'-phosphate",78,1.299,70.052,0.568]
["O=C1N(/C=C(/C)C(=O)N1[H])[C@@]2([H])C[C@]([H])(O[H])[C@]([H])(O2)CO[P@@](=O)(O[H])O[P@@](=O)(O[H])O[C@]3([H])O[C@](C)([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H]","Beginning of SDF File of HMDB06354#Deoxythymidine diphosphate-l-rhamno",79,1.421,66.9,0.563]
["O=[P@@](OC[C@@]3([H])O[C@@]([H])(N1C=NC=2C1=NC=NC=2N([H])[H])[C@]([H])(O[H])[C@]3([H])O[H])(O[H])O[P@](=O)(O[H])O[C@@]4([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[H]","Beginning of SDF File of HMDB06369#ADP-Mannose",80,1.247,65.324,0.525]
["C=C1C(C[C@]([H])(C[C@]1([H])O[H])O[H])=C/C=C2\\CCC[C@@]3(C)[C@@]2([H])CC[C@]3([H])[C@](C)([H])CC(=O)O[H]","Beginning of SDF File of HMDB06472#Calcitroic acid (D3)",81,1.331,59.545,0.512]
["O=C(C)N([H])[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@]2([H])O[C@]([H])(CO[C@@]1(O[C@]([H])([C@]([H])(N([H])C(=O)C)[C@@]([H])(O[H])C1)[C@]([H])(O[H])[C@]([H])(O[H])CO[H])C(=O)O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@]([H])(O[C@]3([H])O[H])CO[H]","Beginning of SDF File of HMDB06584#6-Sialyl-N-acetyllactosamine",82,1.524,73.205,0.521]
["O=C(C)N([H])[C@]2([H])[C@@]([H])(O[C@]1([H])O[C@]([H])(CO[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])[C@]([H])(O[C@@]2([H])O[C@@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@]([H])(O[H])[C@]3([H])O[H])CO[H])CO[H]","Beginning of SDF File of HMDB06592#Lacto-N-triaose",83,1.762,70.403,0.587]
["O=C[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@]2([H])O[C@]([H])(CO[H])[C@]([H])(O[H])[C@]([H])(O[C@]1([H])O[C@]([H])(CO[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@@]2([H])O[H])[C@]([H])(O[H])CO[H]","Beginning of SDF File of HMDB06599#3-Galactosyllactose",84,0.735,61.996,0.515]
["O=C[C@]([H])(N([H])[H])[C@@]([H])(O[H])[C@]([H])(O[C@]2([H])O[C@]([H])(CO[H])[C@]([H])(O[H])[C@]([H])(O[C@]1(O[C@]([H])([C@]([H])(N([H])C(=O)C)[C@@]([H])(O[H])C1)[C@]([H])(O[H])[C@]([H])(O[H])CO[H])C(=O)O[H])[C@@]2([H])O[H])[C@]([H])(O[H])CO[H]","Beginning of SDF File of HMDB06607#3-Sialyllactosamine",85,1.031,75.131,0.579]
["CO[C@@]3([H])O[C@]([H])(CO[C@@]1([H])OC[C@@]([H])(O[H])[C@]([H])(O[H])[C@]1([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@]3([H])O[H]","Beginning of SDF File of HMDB06620#Fucosyllactose",86,1.094,62.697,0.523]

{"sheet":"rifampicin & Us drugs (no shape","index":19,"n_rows":6,"n_cols":14,"rows_kept":6,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Structure","Name","Index","FitValue","ID","MOLENAME","plate","position","therap","ref","cas#","source","STATUS","class"]
["O=C(N([H])[C@]2([H])C[C@]([H])(N([H])[H])[C@@]([H])(O[C@@]1([H])O[C@]([H])(CN([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])[C@@]2([H])O[C@@]3([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(N([H])[H])[C@@]3([H])O[H])[C@@]([H])(CCN([H])[H])O[H]","Compound Number 22",1,0.738,1500111,"AMIKACIN SULFATE",208001,"C03","antibacterial",".","39831-55-5, 37517-28-5 [amikacin]","semisynthetic","USP, JAN\r\n.","."]
["O=C(N([H])[C@]([H])(CCN([H])[H])C(=O)N([H])[C@@]2([H])CCN([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(CCN([H])[H])N([H])C(=O)[C@]([H])(CCN([H])[H])N([H])C(=O)[C@@]([H])(CC(C)(C)[H])N([H])C(=O)[C@@]([H])(C/C1=C/C=CC=C1)N([H])C(=O)[C@]([H])(CCN([H])[H])N([H])C2=O)[C@](C)([H])O[H])[C@]([H])(N([H])C(=O)[C@@]([H])(CCN([H])[H])N([H])C(=O)CCCC[C@@](C)([H])CC)[C@](C)([H])O[H]","Compound Number 292",2,1.226,1500492,"POLYMYXIN B SULFATE",208004,"F03","antibacterial",".","1405-20-5, 1404-26-8 [polymyxin B]","Bacillus polymyxa","USP, INN, BAN, JAN\r\n.","macrolide"]
["O=C3N([H])[C@]([H])(C1=CC(O[H])=CC(O[H])=C1C=2C=C(C=CC=2O[H])[C@@]6([H])C(=O)C[C@@]3([H])[C@]([H])(O[H])C%10=CC=C(OC=7C=C5C=C(OC=4C=CC(=CC=4[Cl])[C@@]([H])(O[H])[C@]([H])(C(=O)N([H])[C@@]([H])(CC(=O)N([H])[H])C(=O)N([H])[C@@]5([H])C(=O)N6[H])N([H])C(=O)[C@@]([H])(CC(C)(C)[H])N(C)[H])C=7O[C@]8([H])O[C@@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]8([H])O[C@@]9([H])C[C@](C)(N([H])[H])[C@]([H])(O[H])[C@@](C)([H])O9)C([Cl])=C%10)C(=O)O[H]","Compound Number 384",3,3.528,1500607,"VANCOMYCIN HYDROCHLORIDE",208005,"G05","antibacterial",".","1404-93-9, 1404-90-6 [vancomycin]","Streptomyces orientalis","USP, INN, BAN, JAN\r\n.","macrolide"]
["[H]N([H])[C@@]4([H])[C@@]([H])(O[C@@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]2([H])[C@]([H])(O[C@@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])N([H])[H])[C@]([H])(C[C@@]([H])(N([H])[H])[C@]2([H])O[H])N([H])[H])O[C@]3([H])CO[H])O[C@@]([H])(CN([H])[H])[C@@]([H])(O[H])[C@]4([H])O[H]","Compound Number 648",4,0.185,1503228,"PAROMOMYCIN SULFATE",208009,"A09","antibacterial, antiamebic",".","1263-89-4, 7542-37-2 [paromomycin], 59-04-1 [paromomycin, replaced]","Streptomyces rimosis paramomycinus","USP, INN, BAN\r\n.","aminoglycoside"]
["O=C4N([H])[C@]6([H])C(=O)N([H])[C@@]([H])(C=2C=C(/C=C(/O[C@@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]1([H])O[H])C=2C=3C=C(C=CC=3O[H])[C@@]4([H])N([H])C(=O)[C@@]%11([H])C=9C=C(OC=5C=CC(=CC=5[Cl])[C@@]6([H])O[C@]7([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])N([H])C(C)=O)C(O[C@]8([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]8([H])N([H])C(=O)CC/C=C/CCCCC)=C(C=9)OC%10=CC=C(/C=C%10/[Cl])C[C@@]%14([H])C(=O)N([H])[C@]([H])(C(=O)N%11[H])C%12=CC(=CC(=C%12)O[H])OC%13=CC(=C/C=C%13/O[H])[C@@]([H])(N([H])[H])C(=O)N%14[H])O[H])C(=O)O[H]","Compound Number 1004",5,1.913,1505707,"TEICOPLANIN [A(2-1) shown]",208013,"E05","antibacterial",".","61036-62-2","Actinoplanes teichomyceticus; MDL-507","USAN, INN, BAN\r\n.","."]

{"sheet":"ethambutol & US drugs (shape)","index":20,"n_rows":2,"n_cols":16,"rows_kept":2,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Structure","Name","Index","FitValue","PercentFilled","ShapeSimilarity","ID","MOLENAME","plate","position","therap","ref","cas#","source","STATUS","class"]
["CC[C@@]([H])(CO[H])N([H])CCN([H])[C@]([H])(CO[H])CC","Compound Number 159",1,4.427,85.401,0.767,1500288,"ETHAMBUTOL HYDROCHLORIDE",208002,"H10","antibacterial (tuberculostatic)",".","1070-11-7, 74-55-5 [ethambutol]","synthetic","USP, INN, BAN, JAN\r\n.","."]

{"sheet":"ethambutol & US drugs (no shape","index":21,"n_rows":6,"n_cols":14,"rows_kept":6,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Structure","Name","Index","FitValue","ID","MOLENAME","plate","position","therap","ref","cas#","source","STATUS","class"]
["[Cl]/C1=C/C=C(C=C1)N([H])C(=N[H])N([H])C(=N[H])N([H])CCCCCCN([H])C(=N[H])N([H])C(=N[H])N([H])C2=C/C=C(/[Cl])C=C2","Compound Number 74",1,2.659,1500177,"CHLORHEXIDINE",208001,"H05","antibacterial (topical), disinfectant",".","3697-42-5, 55-56-1 [chlorhexidine]","synthetic","USP, INN, BAN, JAN\r\n.","."]
["CC[C@@]([H])(CO[H])N([H])CCN([H])[C@]([H])(CO[H])CC","Compound Number 159",2,4.311,1500288,"ETHAMBUTOL HYDROCHLORIDE",208002,"H10","antibacterial (tuberculostatic)",".","1070-11-7, 74-55-5 [ethambutol]","synthetic","USP, INN, BAN, JAN\r\n.","."]
["CC[C@@]9(C[C@@]3([H])CN(CCC1=C(N([H])C2=CC=CC=C12)[C@](C3)(C4=CC6=C(/C=C4/OC)N(C)[C@@]5([H])[C@@](O[H])(C(=O)OC)[C@]([H])(OC(=O)C)[C@@]7(C=CCN8CC[C@]56[C@]78[H])CC)C(=O)OC)C9)O[H]","Compound Number 386",3,0.254,1500611,"VINBLASTINE SULFATE",208005,"G07","antineoplastic, spindle poison",".","143-67-9, 865-21-4 [vinblastine]","Vinca rosea","USP, INN, BAN, JAN\r\n.","alkaloid"]
["COC=1C=CC=CC=1OC[C@@]([H])(CN2CCN(CC2)CC(=O)N([H])C3=C(C)C=C/C=C3/C)O[H]","Compound Number 802",4,1.854,1505366,"RANOLAZINE",208011,"A03","antianginal, antiischemic",".","95635-55-5","synthetic; RS-43285-003; CVT-303","USAN, INN\r\n.","."]
["O=C(OC)[C@@]3(O[H])[C@]([H])(OC(=O)C)[C@@]8(C=CCN9CC[C@@]2(C1=CC(=C(C=C1N(C=O)[C@@]23[H])OC)[C@]4(C[C@]7([H])CN(CCC6=C4N([H])C=5C=CC=CC=56)C[C@](C7)(O[H])CC)C(=O)OC)[C@]89[H])CC","Compound Number 830",5,0.274,1505672,"VINCRISTINE SULFATE",208011,"C11","antineoplastic","Int Pharmacodyn Ther 157:299 (1965)","2068-78-2","Vinca rosea; 37231, NSC-67574","USP, INN, BAN, JAN\r\n.","alkaloid"]

{"sheet":"streptomycin and US drugs","index":22,"n_rows":12,"n_cols":16,"rows_kept":12,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Structure","Name","Index","FitValue","PercentFilled","ShapeSimilarity","ID","MOLENAME","plate","position","therap","ref","cas#","source","STATUS","class"]
["[O-][P](=O)([O-])OCC(=O)[C@]4(O[H])[C@@]3(C)C[C@]([H])(O[H])[C@@]2([F])[C@@]([H])(CCC1=CC(=O)C=C[C@]12C)[C@]3([H])C[C@]4(C)[H]","Compound Number 114",1,1.574,63.748,0.534,1500232,"DEXAMETHASONE SODIUM PHOSPHATE",208002,"D05","glucocorticoid, antiinflammatory",".","2392-39-4, 312-93-6 [dexamethasone 21-(dihydrogen phosphate)]","semisynthetic","USP, BAN, JAN\r\n.","."]
["[H]N([H])[C@@]4([H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[C@@]2([H])O[C@]([H])(CO[H])[C@@]([H])(O[C@@]1([H])O[C@@]([H])(CN([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])N([H])[H])[C@@]2([H])O[H])[C@@]([H])(O[H])[C@@]([H])(C[C@]3([H])N([H])[H])N([H])[H])O[C@]([H])(CN([H])[H])[C@@]([H])(O[H])[C@]4([H])O[H]","Compound Number 246",2,2.288,71.629,0.544,1500427,"NEOMYCIN SULFATE",208004,"A07","antibacterial",".","1405-10-3, 1404-04-2 [neomycin]","Streptomyces fradiae","USP, JAN\r\n.","."]
["C[C@]3([H])O[C@@]([H])(O[C@]1([H])[C@@]([H])(N([H])C(=N[H])N([H])[H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=N[H])N([H])[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@@]([H])(O[C@]2([H])O[C@@]([H])(CO[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])N(C)[H])[C@]3(C=O)O[H]","Compound Number 330",3,1.466,70.753,0.557,1500541,"STREPTOMYCIN SULFATE",208005,"A11","antibacterial (tuberculostatic)",".","3810-74-0, 57-92-1 [streptomycin]","Streptomyces griseus","USP, INN, BAN, JAN\r\n.","macrolide"]
["C[C@]([H])(CCC(=O)O[H])[C@@]1([H])CC[C@]2([H])[C@]1(C)CC[C@]4([H])[C@@]2([H])[C@]([H])(C[C@]3([H])C[C@@]([H])(CC[C@]34C)O[H])O[H]","Compound Number 382",4,0.139,62.347,0.528,1500605,"URSODIOL",208005,"G03","anticholelithogenic; LD50(rat) 890 mg/kg ip","Hoppe Seyler's Z Physiol Chem 244:181 (1936); Drugs 21:90 (1981); Gastroenterology 91:1007 (1986)","128-13-2","bear bile","USP, INN, BAN, JAN\r\n.","sterol"]
["O=C1C=C(CO1)[C@@]2([H])CC[C@@]6(O[H])[C@]2(C)C[C@@]([H])(O[H])[C@]5([H])[C@]4(CO[H])[C@@](C[C@@]([H])(O[C@]3([H])O[C@](C)([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])C[C@@]4([H])O[H])(CC[C@]56[H])O[H]","Compound Number 502",5,2.109,73.38,0.562,1500676,"OUABAIN",208007,"C03","antiarrhythmic, cardiotonic, hypertensive, Na/K ATPase inhibitor","Ann Rev Biochem 15: 155 (1946); Helv Chim Acta 42: 1418 (1959); 45: 1244 (1962); 50: 2299 (1967)","11018-89-6, 630-60-4 [anhydrous]","Acokanthera and Strophanthus spp","USP-XX, JAN\r\n.","sterol glycoside"]
["[H]N([H])[C@@]3([H])[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[C@@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(N([H])[H])[C@@]1([H])O[H])[C@@]([H])(C[C@]2([H])N([H])[H])N([H])[H])O[C@]([H])(CN([H])[H])[C@@]([H])(O[H])[C@]3([H])O[H]","Compound Number 518",6,0.299,62.872,0.529,1500812,"BEKANAMYCIN SULFATE",208007,"D09","antibacterial","JACS 80:2911 (1958); 85:1547 (1963)","4696-76-8 (base)","semisynthetic; Streptomyces kanamyceticus; NK-1006","USP, INN, BAN, JAN\r\n.","carbohydrate"]
["C[C@]([H])(CCC(=O)O[H])[C@@]1([H])CC[C@]2([H])[C@]1(C)CC[C@@]4([H])[C@@]2([H])[C@@]([H])(C[C@]3([H])C[C@@]([H])(CC[C@]34C)O[H])O[H]","Compound Number 521",7,1.401,64.974,0.558,1500837,"CHENODIOL",208007,"E02","anticholithogenic, antilipemic agent","Helv Chim Acta 43: 1595 (1960)","474-25-9","human bile","USAN, INN, BAN, JAN\r\n.","sterol"]
["[H]N([H])[C@@]4([H])[C@@]([H])(O[C@@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]2([H])[C@]([H])(O[C@@]1([H])O[C@]([H])(CO[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])N([H])[H])[C@]([H])(C[C@@]([H])(N([H])[H])[C@]2([H])O[H])N([H])[H])O[C@]3([H])CO[H])O[C@@]([H])(CN([H])[H])[C@@]([H])(O[H])[C@]4([H])O[H]","Compound Number 648",8,1.254,74.431,0.573,1503228,"PAROMOMYCIN SULFATE",208009,"A09","antibacterial, antiamebic",".","1263-89-4, 7542-37-2 [paromomycin], 59-04-1 [paromomycin, replaced]","Streptomyces rimosis paramomycinus","USP, INN, BAN\r\n.","aminoglycoside"]
["[O-][P](=O)([O-])OCC(=O)[C@]4(CC[C@@]3([H])[C@]2([H])CCC1=CC(=O)CC[C@@]1(C)[C@]2([H])[C@@]([H])(O[H])C[C@@]34C)O[H]","Compound Number 867",9,1.633,62.872,0.54,1500340,"HYDROCORTISONE PHOSPHATE TRIETHYLAMINE",208011,"G08","glucocorticoid",".","3863-59-0 [cortisol 21-(dihydrogen phosphate)]","semisynthetic","USP, INN, BAN, JAN\r\n.","."]
["O=C4C(O[C@]2([H])O[C@]([H])(CO[C@]1([H])O[C@](C)([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C(OC=3C=C(/C=C(/O[H])C=34)O[H])C=5/C=C(/O[H])C(=CC=5)O[H]","Compound Number 901",10,1.793,72.329,0.566,300607,"RUTOSIDE  (rutin)",208012,"C02","vascular protectant",".","153-18-4","Ruta graveolens, widespread in plants","NF-XI, INN, BAN, JAN\r\n.","flavone glycoside"]
["[F][C@]24[C@@]([H])(CCC1=CC(=O)C=C[C@]12C)[C@]3([H])C[C@@](C)([H])[C@](O[H])(C(=O)CO[P](=O)([O-])[O-])[C@@]3(C)C[C@]4([H])O[H]","Compound Number 1023",11,1.644,63.748,0.534,1505725,"BETAMETHAZONE SODIUM PHOSPHATE",208013,"G04","antiinflammatory, glucocorticoid",".","151-73-5","semisynthetic","USP, BAN, JAN\r\n.","."]