[{"ID":"0","Name":"Methylmalonyl-coa","SMILES":"CC(C(=O)O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O","Products":28,"Pathways":202,"Selected":0,"Compounds":["100","105","110","123","128","133","138","245","249","255","27","284","285","330","338","357","358","364","368","370","383","384","388","42","53","68","95","96"]},{"ID":"1","Name":"Benzoate","SMILES":"O=C(O)c1ccccc1","Products":1,"Pathways":0,"Selected":0,"Compounds":["175"]},{"ID":"3","Name":"2-methylbenzoate","SMILES":"Cc1ccccc1C(=O)O","Products":52,"Pathways":1984,"Selected":0,"Compounds":["110","123","128","129","13","133","138","151","245","250","255","257","27","271","278","284","285","287","288","308","312","318","321","322","329","330","336","357","364","368","370","383","384","388","42","434","445","455","48","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"4","Name":"4-methylbenzoate","SMILES":"Cc1ccc(C(=O)O)cc1","Products":54,"Pathways":4337,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","151","192","245","249","250","255","257","27","271","278","284","287","288","308","312","318","321","322","329","341","342","358","364","365","368","370","388","390","42","434","455","460","48","55","57","58","59","60","68","7","84","87","89","90"]},{"ID":"5","Name":"Salicylic acid","SMILES":"O=C(O)c1ccccc1O","Products":4,"Pathways":7,"Selected":0,"Compounds":["318","322","358","90"]},{"ID":"7","Name":"Malonyl-coa","SMILES":"CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O","Products":2,"Pathways":0,"Selected":0,"Compounds":["153","438"]},{"ID":"8","Name":"Quinic acid","SMILES":"O=C(O)C1(O)CC(O)C(O)C(O)C1","Products":66,"Pathways":5277,"Selected":0,"Compounds":["110","123","128","129","13","132","133","138","14","151","158","172","180","181","185","189","192","200","217","218","227","245","250","255","257","27","284","287","288","312","318","321","322","330","336","341","342","357","358","364","365","368","370","383","384","388","390","397","434","445","455","460","48","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"9","Name":"Mevalonate","SMILES":"CC(O)(CCO)CC(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["253"]},{"ID":"10","Name":"Cai-1","SMILES":"CCCCCCCCCC(=O)[C@@H](O)CC","Products":3,"Pathways":458,"Selected":0,"Compounds":["329","434","445"]},{"ID":"11","Name":"Phenylalanine","SMILES":"NC(Cc1ccccc1)C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["180"]},{"ID":"12","Name":"Tryptophan","SMILES":"NC(Cc1c[nH]c2ccccc12)C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["226"]},{"ID":"13","Name":"Tyrosine","SMILES":"N[C@@H](Cc1ccc(O)cc1)C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["193"]},{"ID":"14","Name":"Naringenin","SMILES":"O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21","Products":1,"Pathways":0,"Selected":0,"Compounds":["164"]},{"ID":"15","Name":"Putrescine","SMILES":"NCCCCN","Products":1,"Pathways":0,"Selected":0,"Compounds":["361"]},{"ID":"16","Name":"Cadaverine","SMILES":"NCCCCCN","Products":1,"Pathways":0,"Selected":0,"Compounds":["337"]},{"ID":"17","Name":"3-chlorobenzoate","SMILES":"O=C(O)c1cccc(Cl)c1","Products":44,"Pathways":1285,"Selected":0,"Compounds":["100","105","110","129","13","138","192","245","250","257","284","287","288","312","318","321","322","329","342","357","358","364","365","368","370","383","384","388","390","397","434","455","460","48","55","57","58","59","60","7","84","87","89","90"]},{"ID":"23","Name":"Phenol","SMILES":"Oc1ccccc1","Products":1,"Pathways":0,"Selected":0,"Compounds":["39"]},{"ID":"24","Name":"2-chloro-cis,cis-muconate","SMILES":"O=C(O)/C=C\\C=C(\\Cl)C(=O)O","Products":39,"Pathways":1564,"Selected":0,"Compounds":["100","105","123","128","129","13","132","133","192","257","284","287","288","312","318","321","322","329","342","357","358","364","365","368","370","383","384","388","390","397","434","455","7","84","87","89","90","95","96"]},{"ID":"26","Name":"2-hydroxytoluene","SMILES":"Cc1ccccc1O","Products":51,"Pathways":686,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","138","192","245","249","250","257","27","284","287","288","318","321","322","329","330","336","341","342","357","364","365","370","383","384","388","390","42","434","445","455","48","55","57","58","59","60","7","84","87","89","90","95","96"]},{"ID":"27","Name":"3-hydroxytoluene","SMILES":"Cc1cccc(O)c1","Products":1,"Pathways":0,"Selected":0,"Compounds":["436"]},{"ID":"28","Name":"4-hydroxytoluene","SMILES":"Cc1ccc(O)cc1","Products":65,"Pathways":665,"Selected":0,"Compounds":["100","105","110","128","129","132","133","138","14","151","172","178","180","185","187","189","192","217","218","227","245","249","250","255","257","27","271","278","284","285","287","288","308","312","318","321","322","329","330","336","341","358","364","368","370","388","390","397","42","434","444","445","455","48","53","55","57","58","59","60","68","7","90","95","96"]},{"ID":"29","Name":"Chlorohydroquinone","SMILES":"Oc1ccc(O)c(Cl)c1","Products":59,"Pathways":5085,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","14","151","154","172","180","185","186","189","192","218","227","245","249","250","255","284","285","287","288","312","318","321","322","330","336","341","342","357","358","364","365","370","383","384","388","390","42","434","445","455","53","68","7","84","87","89","90","95","96"]},{"ID":"30","Name":"2,6-dichlorohydroquinone(dich)","SMILES":"Oc1cc(Cl)c(O)c(Cl)c1","Products":51,"Pathways":5066,"Selected":0,"Compounds":["110","123","128","129","13","132","133","138","192","245","249","250","255","257","27","284","285","287","288","318","321","322","330","336","342","357","358","364","365","368","370","383","384","388","390","397","434","445","455","460","48","55","57","58","59","60","68","7","90","95","96"]},{"ID":"31","Name":"2,5-dichlorohydroquinone","SMILES":"Oc1cc(Cl)c(O)cc1Cl","Products":56,"Pathways":1331,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","138","192","245","249","250","257","27","284","285","287","288","312","318","321","322","329","336","341","357","358","364","365","368","370","383","384","388","390","397","42","434","445","455","460","48","53","55","57","58","59","60","7","84","87","89","90","95","96"]},{"ID":"32","Name":"Atp","SMILES":"Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O","Products":42,"Pathways":12032,"Selected":0,"Compounds":["110","128","13","132","133","138","151","172","178","180","181","185","189","218","245","249","277","279","299","318","322","329","330","336","357","364","368","370","383","384","388","42","434","444","460","53","84","87","89","90","95","96"]},{"ID":"35","Name":"3-methylbenzylalcohol","SMILES":"Cc1cccc(CO)c1","Products":56,"Pathways":1453,"Selected":0,"Compounds":["100","105","110","123","128","129","13","133","138","192","245","249","250","257","27","284","285","287","288","312","318","321","322","329","330","336","341","342","357","358","364","365","368","370","383","384","388","390","397","42","434","460","48","53","55","57","58","59","60","7","84","87","89","90","95","96"]},{"ID":"37","Name":"P-xylene","SMILES":"Cc1ccc(C)cc1","Products":1,"Pathways":0,"Selected":0,"Compounds":["119"]},{"ID":"38","Name":"Toluene","SMILES":"Cc1ccccc1","Products":1,"Pathways":0,"Selected":0,"Compounds":["189"]},{"ID":"39","Name":"M-amino-nitrotoluene","SMILES":"Cc1ccc(N)cc1N","Products":52,"Pathways":1397,"Selected":0,"Compounds":["110","123","128","129","13","132","133","138","192","245","249","250","255","27","284","285","287","288","312","318","321","322","329","330","336","357","358","365","383","384","390","397","42","434","445","455","460","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"40","Name":"4-chlorobenzaldehyde","SMILES":"O=Cc1ccc(Cl)cc1","Products":51,"Pathways":1065,"Selected":0,"Compounds":["100","105","110","123","128","13","132","138","192","245","249","250","255","27","284","287","288","312","318","321","322","329","341","342","357","358","364","365","368","370","383","384","388","390","42","434","445","455","48","53","55","57","58","59","60","68","7","84","87","89","90"]},{"ID":"41","Name":"Benzene","SMILES":"c1ccccc1","Products":1,"Pathways":0,"Selected":0,"Compounds":["196"]},{"ID":"43","Name":"1,1,2-trichloroethylene","SMILES":"ClC=C(Cl)Cl","Products":45,"Pathways":1513,"Selected":0,"Compounds":["100","105","128","129","13","132","133","192","255","257","260","27","318","321","322","328","329","330","336","341","342","357","358","364","365","370","383","384","388","390","397","455","460","48","53","55","57","58","59","60","68","7","90","95","96"]},{"ID":"44","Name":"Ethylbenzene","SMILES":"CCc1ccccc1","Products":1,"Pathways":1,"Selected":0,"Compounds":["460"]},{"ID":"45","Name":"P-cumate","SMILES":"CC(C)c1ccc(C(=O)O)cc1","Products":54,"Pathways":1771,"Selected":0,"Compounds":["110","123","128","129","132","138","151","192","245","249","250","257","271","278","284","285","287","288","308","318","321","322","329","330","336","341","342","357","358","364","365","368","370","383","384","388","390","42","455","460","48","53","55","57","58","59","60","7","84","87","89","90","95","96"]},{"ID":"46","Name":"Cis,cis-muconate","SMILES":"O=C(O)C=CC=CC(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["142"]},{"ID":"52","Name":"P-cymene","SMILES":"Cc1ccc(C(C)C)cc1","Products":1,"Pathways":0,"Selected":0,"Compounds":["263"]},{"ID":"53","Name":"Naphthalene","SMILES":"c1ccc2ccccc2c1","Products":70,"Pathways":15036,"Selected":0,"Compounds":["100","105","110","128","129","132","133","138","14","151","172","178","180","181","185","189","217","218","219","222","245","249","250","255","257","27","271","277","278","279","284","285","287","288","299","308","312","318","322","330","336","342","357","358","364","368","370","383","384","388","434","444","445","455","460","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"54","Name":"4-hydroxyphenylacetate","SMILES":"O=C(O)Cc1ccc(O)cc1","Products":1,"Pathways":0,"Selected":0,"Compounds":["192"]},{"ID":"55","Name":"3-hydroxyphenylacetate","SMILES":"O=C(O)Cc1cccc(O)c1","Products":63,"Pathways":5885,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","151","172","180","181","185","189","192","218","245","249","255","257","284","285","312","318","321","322","329","330","336","341","342","348","351","357","364","365","368","370","383","384","388","390","42","434","455","465","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"56","Name":"3,4-dihydroxyphenylacetate","SMILES":"O=C(O)Cc1ccc(O)c(O)c1","Products":54,"Pathways":5856,"Selected":0,"Compounds":["100","105","110","123","128","129","132","138","154","178","186","192","245","249","250","255","257","27","284","285","287","288","312","318","321","322","329","330","336","342","364","365","368","370","388","390","397","42","434","444","445","455","48","53","55","57","58","59","60","68","7","90","95","96"]},{"ID":"60","Name":"Benzylacetate","SMILES":"O=C(O)CCc1ccccc1","Products":65,"Pathways":2325,"Selected":0,"Compounds":["100","105","110","123","129","13","133","138","151","172","178","180","181","185","187","189","192","218","245","249","250","255","257","27","271","278","284","285","287","288","308","312","318","321","322","329","336","342","357","358","364","365","370","383","384","388","390","397","42","434","444","445","455","48","55","57","58","59","60","68","7","84","87","89","90"]},{"ID":"61","Name":"Benzaldehyde","SMILES":"O=Cc1ccccc1","Products":1,"Pathways":0,"Selected":0,"Compounds":["166"]},{"ID":"63","Name":"Benzylalcohol","SMILES":"OCc1ccccc1","Products":1,"Pathways":0,"Selected":0,"Compounds":["167"]},{"ID":"64","Name":"3,4-dihydroxybenzoate","SMILES":"O=C(O)c1ccc(O)c(O)c1","Products":1,"Pathways":0,"Selected":0,"Compounds":["200"]},{"ID":"67","Name":"Phenylacetate","SMILES":"O=C(O)Cc1ccccc1","Products":1,"Pathways":0,"Selected":0,"Compounds":["183"]},{"ID":"71","Name":"Styrene","SMILES":"C=Cc1ccccc1","Products":1,"Pathways":0,"Selected":0,"Compounds":["173"]},{"ID":"72","Name":"2,4-dimethylphenol","SMILES":"Cc1ccc(O)c(C)c1","Products":4,"Pathways":2664,"Selected":0,"Compounds":["318","322","330","336"]},{"ID":"75","Name":"2-amino-4,6-dinitrotoluene","SMILES":"Cc1c(N)cc([N+](=O)[O-])cc1[N+](=O)[O-]","Products":56,"Pathways":937,"Selected":0,"Compounds":["110","123","128","129","13","132","133","138","192","245","249","250","255","257","27","284","285","287","288","312","318","321","322","329","330","336","341","342","357","358","364","365","368","370","383","384","388","390","397","42","434","445","455","460","48","55","57","58","59","60","68","7","84","87","89","90"]},{"ID":"77","Name":"4-amino-2,6-dinitrotoluene","SMILES":"Cc1c([N+](=O)[O-])cc(N)cc1[N+](=O)[O-]","Products":51,"Pathways":657,"Selected":0,"Compounds":["110","123","128","129","13","132","133","138","192","245","250","257","27","284","285","287","288","312","318","321","322","329","330","336","342","357","358","364","365","368","370","383","384","388","390","397","42","434","445","455","48","53","55","57","58","59","60","7","90","95","96"]},{"ID":"78","Name":"Nitrobenzene","SMILES":"O=[N+]([O-])c1ccccc1","Products":60,"Pathways":2039,"Selected":0,"Compounds":["100","105","110","123","128","129","132","133","138","14","172","180","181","185","189","192","217","218","219","220","245","250","257","27","284","285","287","288","312","318","321","322","329","330","336","341","342","357","358","364","365","368","370","383","384","388","390","42","434","48","53","55","57","58","59","60","7","90","95","96"]},{"ID":"80","Name":"Anthranilate","SMILES":"Nc1ccccc1C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["221"]},{"ID":"82","Name":"Phenylacetyl-coa","SMILES":"CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccccc1","Products":57,"Pathways":8889,"Selected":0,"Compounds":["110","123","128","129","132","133","138","151","158","172","178","180","181","185","189","192","217","218","245","249","250","255","257","284","285","287","288","312","318","321","322","336","341","358","364","365","368","370","388","390","42","434","444","445","460","48","53","55","57","58","59","60","68","7","90","95","96"]},{"ID":"83","Name":"Vanillate","SMILES":"COc1cc(C(=O)O)ccc1O","Products":77,"Pathways":17052,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","14","151","172","178","180","181","185","189","192","193","217","218","219","220","227","245","249","250","255","257","27","271","278","284","285","287","288","308","312","318","321","322","329","330","336","341","342","357","364","365","370","383","384","388","390","397","42","434","444","445","455","460","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"84","Name":"3-oxoadipate","SMILES":"O=C(O)CCC(=O)CC(=O)O","Products":62,"Pathways":12999,"Selected":0,"Compounds":["100","105","123","128","129","132","133","172","180","185","189","192","218","255","27","277","279","284","285","287","288","299","312","318","321","322","329","330","336","341","342","357","358","364","365","368","370","383","384","388","390","397","42","434","445","455","460","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"88","Name":"Aniline","SMILES":"Nc1ccccc1","Products":1,"Pathways":0,"Selected":0,"Compounds":["222"]},{"ID":"89","Name":"Hydroxycinnamoyl-coa","SMILES":"CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C(O)=C/c1ccccc1","Products":62,"Pathways":10722,"Selected":0,"Compounds":["100","105","110","123","128","129","13","138","172","180","185","189","192","218","245","249","255","257","27","277","279","284","285","299","312","318","321","322","330","341","342","348","351","357","358","364","365","368","370","383","384","388","390","397","434","445","465","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"90","Name":"Cinnamic_acid","SMILES":"O=C(O)/C=C/c1ccccc1","Products":1,"Pathways":0,"Selected":0,"Compounds":["177"]},{"ID":"91","Name":"4-hydroxybenzoate","SMILES":"O=C(O)c1ccc(O)cc1","Products":1,"Pathways":0,"Selected":0,"Compounds":["228"]},{"ID":"95","Name":"Benzoyl-coa","SMILES":"CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccccc1","Products":57,"Pathways":8997,"Selected":0,"Compounds":["100","105","110","128","132","138","14","151","172","178","180","181","185","189","192","217","218","219","222","245","249","250","255","257","27","284","287","288","312","318","321","322","329","342","357","358","365","368","383","384","390","397","42","444","455","460","48","55","57","58","59","60","68","7","90","95","96"]},{"ID":"96","Name":"Ethylsalicylic acid","SMILES":"CCOC(=O)c1ccccc1O","Products":50,"Pathways":163,"Selected":0,"Compounds":["0","1","100","105","113","116","12","120","125","133","138","14","177","178","180","181","185","187","189","192","193","217","218","219","222","245","255","281","284","287","288","3","304","318","322","329","330","336","364","370","388","42","434","444","445","53","68","84","87","89"]},{"ID":"97","Name":"2,3-dihydroxybiphenyl","SMILES":"Oc1cccc(-c2ccccc2)c1O","Products":52,"Pathways":1567,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","192","245","249","250","257","27","284","285","287","288","312","318","321","322","329","330","336","341","357","358","365","368","383","384","390","397","42","434","445","455","460","48","53","55","57","58","59","60","7","90","95","96"]},{"ID":"98","Name":"3-hydroxybenzoate","SMILES":"O=C(O)c1cccc(O)c1","Products":55,"Pathways":763,"Selected":0,"Compounds":["104","117","124","133","138","14","158","172","178","180","185","189","192","217","218","219","222","245","255","257","27","284","287","288","312","317","318","321","322","336","341","348","351","354","365","390","397","417","42","422","434","444","445","455","460","465","53","58","59","60","68","82","85","86","90"]},{"ID":"99","Name":"Tagatose-6-phosphate","SMILES":"O=P(O)(O)OCC1OC(O)(CO)C(O)C1O","Products":15,"Pathways":4079,"Selected":0,"Compounds":["1","138","139","178","434","444","460","59","60","69","71","72","82","83","90"]},{"ID":"100","Name":"L-galactose","SMILES":"O=C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO","Products":48,"Pathways":77244,"Selected":0,"Compounds":["100","105","110","123","128","13","132","138","151","185","189","192","217","218","245","249","250","27","271","278","284","285","308","312","318","322","329","330","336","357","364","365","370","383","384","388","390","434","445","460","53","7","84","87","89","90","95","96"]},{"ID":"101","Name":"Phosphate","SMILES":"O=P(O)(O)O","Products":45,"Pathways":1828,"Selected":0,"Compounds":["110","112","117","128","13","132","133","138","151","172","180","185","189","192","217","218","245","249","255","257","27","284","285","318","322","329","336","341","365","390","42","429","434","445","455","460","48","53","55","57","58","59","60","68","90"]},{"ID":"102","Name":"Oleate","SMILES":"CCCCCCCCC=CCCCCCCCC(=O)O","Products":2,"Pathways":2,"Selected":0,"Compounds":["281","304"]},{"ID":"103","Name":"Linoleate","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O","Products":2,"Pathways":2,"Selected":0,"Compounds":["281","304"]},{"ID":"104","Name":"Phytanate","SMILES":"CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O","Products":24,"Pathways":15650,"Selected":0,"Compounds":["116","120","123","133","192","255","284","285","312","318","322","330","336","354","358","390","397","417","420","422","434","460","53","68"]},{"ID":"105","Name":"Gamma-linolenic acid","SMILES":"CCCCC/C=C\\C/C=C\\C/C=C\\CCCCC(=O)O","Products":5,"Pathways":6841,"Selected":0,"Compounds":["271","278","304","308","434"]},{"ID":"106","Name":"Fructose-1,6-diphosphate","SMILES":"O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O","Products":52,"Pathways":3185,"Selected":0,"Compounds":["110","112","117","13","133","138","151","172","178","180","181","185","189","192","217","218","245","249","250","284","285","287","288","318","321","322","329","336","341","342","357","358","365","383","384","390","397","42","429","434","444","455","460","48","53","55","57","58","59","60","7","90"]},{"ID":"107","Name":"L-fuculose-1-phosphate","SMILES":"C[C@H](O)[C@@H](O)[C@@H](O)C(=O)COP(=O)(O)O","Products":42,"Pathways":279,"Selected":0,"Compounds":["110","112","117","123","13","133","138","151","172","180","181","185","189","218","245","249","250","255","27","284","285","329","330","342","345","357","364","370","383","384","388","42","429","434","445","460","53","68","84","87","89","90"]},{"ID":"108","Name":"Fucose","SMILES":"C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O","Products":68,"Pathways":6750,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","151","172","178","180","181","185","189","192","218","245","250","255","257","27","284","285","287","288","318","321","322","329","330","336","341","342","357","358","364","365","368","370","383","384","388","390","397","42","434","444","445","455","460","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"109","Name":"Sorbitol","SMILES":"OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO","Products":35,"Pathways":10484,"Selected":0,"Compounds":["100","105","110","128","133","138","151","185","189","193","217","218","245","249","27","284","287","288","312","318","322","330","336","342","42","48","53","55","57","58","59","60","90","95","96"]},{"ID":"110","Name":"Glycerol-3-phosphate","SMILES":"O=P(O)(O)OCC(O)CO","Products":1,"Pathways":0,"Selected":0,"Compounds":["78"]},{"ID":"111","Name":"Oxygen","SMILES":"O=O","Products":23,"Pathways":4148,"Selected":0,"Compounds":["100","105","129","133","151","172","180","185","189","217","218","318","322","329","330","336","342","358","368","42","434","53","90"]},{"ID":"112","Name":"Nitric oxide","SMILES":"[N]=O","Products":17,"Pathways":66,"Selected":0,"Compounds":["13","178","181","185","189","217","218","271","278","279","281","308","435","444","84","87","89"]},{"ID":"115","Name":"Uracil","SMILES":"Oc1ccnc(O)n1","Products":60,"Pathways":4224,"Selected":0,"Compounds":["100","105","110","128","129","13","132","133","138","151","178","181","185","189","217","218","245","249","255","27","271","278","284","285","308","312","318","321","322","329","330","336","341","342","357","364","370","383","384","388","42","434","444","455","460","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"116","Name":"Glucosamine-6-phosphate","SMILES":"NC1C(O)OC(COP(=O)(O)O)C(O)C1O","Products":1,"Pathways":0,"Selected":0,"Compounds":["398"]},{"ID":"117","Name":"Cellobiose-6-phosphate","SMILES":"O=P(O)(O)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O","Products":42,"Pathways":2056,"Selected":0,"Compounds":["100","105","110","116","120","13","133","138","151","172","180","181","185","189","217","218","245","249","250","255","27","284","285","318","321","322","330","341","342","348","351","357","358","383","384","42","434","445","465","53","68","90"]},{"ID":"118","Name":"Lactose","SMILES":"OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O","Products":55,"Pathways":30359,"Selected":0,"Compounds":["100","105","110","116","120","128","132","133","138","178","181","192","245","249","255","257","27","271","278","284","285","287","288","308","312","318","321","322","330","341","342","357","358","364","368","370","383","384","388","390","397","42","434","444","48","53","55","57","58","59","60","68","90","95","96"]},{"ID":"119","Name":"2,4-dinitrophenol","SMILES":"O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1","Products":23,"Pathways":83,"Selected":0,"Compounds":["100","105","110","128","129","13","132","138","245","250","257","284","287","288","312","318","322","358","364","368","370","388","434"]},{"ID":"121","Name":"Ascorbate-6-phosphate","SMILES":"O=C1O[C@H](C(O)COP(=O)(O)O)C(O)=C1O","Products":69,"Pathways":6515,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","14","151","172","178","180","181","185","189","192","217","218","227","245","249","250","255","257","284","285","312","318","321","322","329","330","336","341","342","348","351","354","357","358","364","368","370","383","384","388","390","397","417","42","420","422","434","444","445","460","465","48","55","57","58","59","60","68","7","90"]},{"ID":"122","Name":"Chloramphenicol","SMILES":"O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)N=C(O)C(Cl)Cl)cc1","Products":52,"Pathways":29409,"Selected":0,"Compounds":["100","105","110","123","128","132","133","138","151","178","181","187","192","245","249","250","255","257","271","278","284","285","287","288","308","312","318","321","322","336","341","357","365","368","383","384","390","397","42","444","455","48","55","57","58","59","60","68","7","90","95","96"]},{"ID":"124","Name":"Arsenite","SMILES":"O[As](O)O","Products":51,"Pathways":5291,"Selected":0,"Compounds":["110","123","128","129","132","133","138","14","151","178","185","189","217","218","227","245","249","250","255","257","27","271","278","284","287","288","308","312","318","321","322","329","330","336","341","358","364","368","370","388","42","434","444","445","460","53","68","7","84","87","89"]},{"ID":"125","Name":"Trehalose","SMILES":"OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","Products":45,"Pathways":3754,"Selected":0,"Compounds":["100","105","110","116","120","129","13","138","192","245","249","250","255","27","271","278","284","285","308","330","357","358","364","365","370","383","384","388","390","42","434","460","48","53","55","57","58","59","60","68","7","84","87","89","90"]},{"ID":"126","Name":"Mannose","SMILES":"OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O","Products":2,"Pathways":0,"Selected":0,"Compounds":["1","3"]},{"ID":"127","Name":"Fructose-1-phosphate","SMILES":"O=C(COP(=O)(O)O)C(O)C(O)C(O)CO","Products":59,"Pathways":6490,"Selected":0,"Compounds":["100","105","110","123","128","13","132","133","138","151","172","178","180","181","185","189","192","218","245","249","250","27","284","285","287","288","312","321","329","330","341","342","357","364","365","370","383","384","388","390","42","434","444","455","460","48","53","55","57","58","59","60","7","84","87","89","90","95","96"]},{"ID":"128","Name":"Fructose","SMILES":"OCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O","Products":1,"Pathways":0,"Selected":0,"Compounds":["4"]},{"ID":"129","Name":"Fructose-6-phosphate","SMILES":"O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O","Products":1,"Pathways":1,"Selected":0,"Compounds":["90"]},{"ID":"130","Name":"Beta-glucoside-6-phosphate","SMILES":"O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1","Products":5,"Pathways":5,"Selected":0,"Compounds":["348","351","358","465","90"]},{"ID":"131","Name":"D-glycerate","SMILES":"O=C(O)C(O)CO","Products":1,"Pathways":0,"Selected":0,"Compounds":["72"]},{"ID":"134","Name":"Glycerate","SMILES":"O=C(O)[C@H](O)CO","Products":1,"Pathways":0,"Selected":0,"Compounds":["72"]},{"ID":"135","Name":"Pyridoxal-5-phosphate","SMILES":"Cc1ncc(COP(=O)(O)O)c(C=O)c1O","Products":46,"Pathways":576,"Selected":0,"Compounds":["110","112","123","128","129","13","132","133","138","14","158","172","180","181","185","189","192","217","218","227","245","249","255","271","278","308","318","321","322","330","336","342","345","365","390","42","429","434","445","455","68","7","84","87","89","90"]},{"ID":"137","Name":"Hydrogen peroxide","SMILES":"OO","Products":54,"Pathways":81,"Selected":0,"Compounds":["100","105","110","112","117","123","128","129","132","138","151","178","181","187","192","245","249","250","255","271","278","279","284","285","304","312","318","319","321","322","330","336","354","357","364","368","370","383","384","388","417","42","420","429","434","435","444","445","53","68","84","87","89","90"]},{"ID":"139","Name":"Ribose","SMILES":"OC1OC[C@@H](O)[C@@H](O)[C@H]1O","Products":2,"Pathways":0,"Selected":0,"Compounds":["2","5"]},{"ID":"140","Name":"Ferulic acid","SMILES":"COc1cc(/C=C/C(=O)O)ccc1O","Products":1,"Pathways":0,"Selected":0,"Compounds":["147"]},{"ID":"141","Name":"Galacturonate","SMILES":"O=C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O","Products":61,"Pathways":14321,"Selected":0,"Compounds":["100","105","110","123","128","129","13","138","151","158","172","180","185","189","192","217","218","245","249","250","255","27","284","287","288","312","318","321","322","336","341","342","357","358","364","365","368","370","383","384","388","390","397","42","445","455","460","48","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"142","Name":"Glucuronate","SMILES":"O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O","Products":56,"Pathways":12129,"Selected":0,"Compounds":["100","105","110","123","128","129","13","138","151","158","172","180","185","189","192","217","218","245","249","250","255","257","27","284","287","288","312","318","322","336","357","364","365","370","383","384","388","390","42","434","445","455","460","48","55","57","58","59","60","68","84","87","89","90","95","96"]},{"ID":"143","Name":"Allose-6-phosphate","SMILES":"O=C[C@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O","Products":48,"Pathways":3557,"Selected":0,"Compounds":["110","123","128","132","133","138","151","172","178","180","185","189","217","218","245","249","250","255","27","284","285","287","288","312","318","321","322","329","330","336","341","342","357","383","384","42","434","444","455","460","53","68","7","84","87","89","95","96"]},{"ID":"144","Name":"Acetate","SMILES":"CC(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["252"]},{"ID":"145","Name":"D-allose","SMILES":"OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O","Products":2,"Pathways":0,"Selected":0,"Compounds":["1","3"]},{"ID":"146","Name":"Mannitol","SMILES":"OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO","Products":57,"Pathways":4763,"Selected":0,"Compounds":["100","105","110","123","128","132","133","138","151","172","180","185","189","192","217","218","245","249","250","255","27","284","285","287","288","318","321","322","330","336","341","357","365","383","384","390","397","42","434","445","455","460","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"150","Name":"Nitrite","SMILES":"O=N[O-]","Products":51,"Pathways":1942,"Selected":0,"Compounds":["100","105","110","123","128","129","132","138","151","192","245","249","255","257","27","284","285","287","288","312","318","321","322","330","336","341","342","357","358","364","365","368","370","383","384","388","390","397","42","434","455","460","53","68","7","84","87","89","90","95","96"]},{"ID":"151","Name":"Nitrate","SMILES":"O=[N+]([O-])[O-]","Products":59,"Pathways":3998,"Selected":0,"Compounds":["100","105","110","128","129","13","132","138","151","172","180","185","189","192","217","218","245","249","250","255","284","285","287","288","312","318","321","322","336","341","342","357","364","365","368","370","383","384","388","390","42","434","445","455","460","48","53","55","57","58","59","60","68","84","87","89","90","95","96"]},{"ID":"152","Name":"Gluconate","SMILES":"O=C(O)C(O)C(O)C(O)C(O)CO","Products":4,"Pathways":4,"Selected":0,"Compounds":["27","84","87","89"]},{"ID":"153","Name":"D-glucono-delta-lactone","SMILES":"O=C1OC(CO)C(O)C(O)C1O","Products":12,"Pathways":709,"Selected":0,"Compounds":["192","193","357","383","384","390","397","434","445","455","460","90"]},{"ID":"156","Name":"Arsenate","SMILES":"O=[As](O)(O)O","Products":54,"Pathways":6316,"Selected":0,"Compounds":["100","105","110","128","129","13","132","133","138","151","172","180","185","189","192","217","218","245","249","250","255","27","284","285","312","318","321","322","330","336","341","342","357","364","365","368","370","383","384","388","390","42","434","445","455","460","53","68","7","84","87","89","95","96"]},{"ID":"157","Name":"Ribitol","SMILES":"OC[C@@H](O)C(O)[C@@H](O)CO","Products":1,"Pathways":0,"Selected":0,"Compounds":["13"]},{"ID":"160","Name":"Catechin","SMILES":"Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2","Products":69,"Pathways":11910,"Selected":0,"Compounds":["100","105","110","123","128","129","132","133","138","14","151","164","168","169","178","181","185","189","192","217","218","227","245","249","250","255","257","27","284","285","312","318","322","329","330","336","341","348","351","357","358","364","365","368","370","383","384","388","390","42","434","444","445","455","465","48","53","55","57","58","59","60","68","84","87","89","90","95","96"]},{"ID":"161","Name":"Fisetin","SMILES":"O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12","Products":57,"Pathways":803,"Selected":0,"Compounds":["100","105","110","116","120","128","129","13","138","14","151","158","178","181","185","189","192","193","217","218","227","245","249","255","257","27","271","278","308","318","322","330","342","357","358","364","365","368","370","383","384","388","390","42","434","444","445","455","53","68","7","84","87","89","90","95","96"]},{"ID":"162","Name":"Quercetin","SMILES":"O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12","Products":73,"Pathways":7520,"Selected":0,"Compounds":["100","105","110","128","129","13","132","133","138","151","164","168","169","172","178","180","185","189","192","217","218","245","249","250","255","27","284","285","287","288","312","318","321","322","330","336","341","342","348","351","357","358","364","365","368","370","383","384","388","390","397","42","434","444","445","455","460","465","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"163","Name":"2-oxoglutarate","SMILES":"O=C(O)CCC(=O)C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["399"]},{"ID":"164","Name":"Glutamate","SMILES":"NC(CCC(=O)O)C(=O)O","Products":2,"Pathways":0,"Selected":0,"Compounds":["406","415"]},{"ID":"165","Name":"N-acetylgalactosamine-6-phosphate","SMILES":"CC(O)=N[C@H]1C(O)O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O","Products":51,"Pathways":515,"Selected":0,"Compounds":["100","105","110","112","117","128","13","138","151","172","180","181","185","189","217","218","245","249","250","255","27","281","284","285","318","322","329","330","341","342","345","348","351","357","358","364","370","383","384","388","42","429","445","465","53","68","84","87","89","95","96"]},{"ID":"166","Name":"N-acetylglucosamine","SMILES":"CC(=O)NC1C(O)OC(CO)C(O)C1O","Products":1,"Pathways":0,"Selected":0,"Compounds":["88"]},{"ID":"167","Name":"5-dehydro-d-gluconate","SMILES":"O=C(O)C(O)C(O)C(O)C(=O)CO","Products":3,"Pathways":3,"Selected":0,"Compounds":["84","87","89"]},{"ID":"168","Name":"L-idonate","SMILES":"O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO","Products":18,"Pathways":2342,"Selected":0,"Compounds":["100","105","123","128","129","192","27","284","287","288","390","397","84","87","89","90","95","96"]},{"ID":"169","Name":"Gentisate","SMILES":"O=C(O)c1cc(O)ccc1O","Products":58,"Pathways":3201,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","138","14","151","154","172","178","180","181","185","186","187","189","192","217","218","219","222","245","249","250","255","257","27","284","285","318","322","329","330","342","357","364","365","368","370","383","384","388","390","397","42","434","444","445","455","460","53","68","95","96"]},{"ID":"170","Name":"Histidine","SMILES":"N[C@@H](Cc1cnc[nH]1)C(=O)O","Products":21,"Pathways":78,"Selected":0,"Compounds":["112","128","132","312","321","341","342","357","383","384","429","434","445","48","53","55","57","58","59","60","90"]},{"ID":"171","Name":"Galactose-6-phosphate","SMILES":"O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O","Products":60,"Pathways":6140,"Selected":0,"Compounds":["100","105","110","123","128","133","138","151","172","178","180","181","185","189","192","217","218","245","249","250","255","27","284","285","287","288","312","318","321","322","330","341","342","364","365","370","388","390","397","42","434","444","445","455","460","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"172","Name":"D-galactose-6-phosphate","SMILES":"O=CC(O)C(O)C(O)C(O)COP(=O)(O)O","Products":64,"Pathways":3454,"Selected":0,"Compounds":["100","105","110","112","128","132","133","138","14","151","172","178","180","181","185","189","192","193","217","218","227","245","249","250","255","27","284","285","312","318","321","322","329","330","336","341","342","357","364","370","383","384","388","390","397","42","429","434","444","445","455","460","48","53","55","57","58","59","60","68","7","90","95","96"]},{"ID":"174","Name":"Galactose","SMILES":"OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O","Products":2,"Pathways":0,"Selected":0,"Compounds":["1","3"]},{"ID":"175","Name":"Sucrose-6-phosphate","SMILES":"O=P(O)(O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","Products":46,"Pathways":7321,"Selected":0,"Compounds":["100","105","128","129","132","133","151","172","180","185","189","192","217","218","257","27","271","278","284","285","287","288","308","312","318","321","322","329","336","342","348","351","358","364","365","368","370","388","390","455","465","7","84","87","89","90"]},{"ID":"176","Name":"Trehalose-6-phosphate","SMILES":"O=P(O)(O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O","Products":41,"Pathways":1216,"Selected":0,"Compounds":["110","112","138","178","185","189","192","217","218","245","249","250","255","271","278","284","287","288","308","312","318","321","322","336","342","357","358","365","368","383","384","390","397","429","434","444","445","455","460","68","90"]},{"ID":"177","Name":"Betaine","SMILES":"C[N+](C)(C)CC(=O)O","Products":38,"Pathways":489,"Selected":0,"Compounds":["112","117","123","128","13","132","151","178","181","185","189","192","217","218","255","27","318","321","322","330","336","342","345","357","358","365","383","384","390","42","429","434","444","445","455","460","68","90"]},{"ID":"178","Name":"Choline","SMILES":"C[N+](C)(C)CCO","Products":49,"Pathways":596,"Selected":0,"Compounds":["100","105","110","128","133","138","14","151","172","178","180","181","185","189","192","193","217","218","227","245","249","250","255","27","281","284","285","312","319","354","364","370","388","390","397","417","42","420","422","444","445","460","53","68","84","87","89","95","96"]},{"ID":"179","Name":"N-acetylglucosamine-6-phosphate","SMILES":"CC(O)=N[C@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O","Products":54,"Pathways":636,"Selected":0,"Compounds":["100","105","110","112","117","128","138","172","178","180","181","185","189","192","217","218","245","249","250","27","281","284","285","318","322","329","330","341","342","345","348","351","357","358","364","370","383","384","388","390","397","42","429","434","444","445","465","53","84","87","89","90","95","96"]},{"ID":"180","Name":"Galactonate","SMILES":"O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO","Products":53,"Pathways":5244,"Selected":0,"Compounds":["100","105","110","123","129","138","185","189","192","217","218","245","249","250","255","257","27","284","287","288","312","318","321","322","329","330","336","341","357","358","365","368","383","384","390","397","42","434","445","455","460","48","55","57","58","59","60","68","7","84","87","89","90"]},{"ID":"181","Name":"L-talarate","SMILES":"O=C(O)C(O)C(O)C(O)C(O)C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["6"]},{"ID":"183","Name":"Bis-indoles","SMILES":"c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1","Products":23,"Pathways":700,"Selected":0,"Compounds":["100","105","128","129","13","132","133","27","42","48","53","55","57","58","59","60","7","84","87","89","90","95","96"]},{"ID":"184","Name":"L-lactate","SMILES":"C[C@H](O)C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["104"]},{"ID":"185","Name":"Chitobiose","SMILES":"CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1O","Products":70,"Pathways":20627,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","151","172","178","180","181","185","189","192","217","218","245","249","250","255","257","27","271","278","284","285","287","288","308","312","318","322","329","330","336","348","351","357","358","364","365","368","370","383","384","388","390","42","434","444","455","465","48","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"186","Name":"Glucose","SMILES":"OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O","Products":2,"Pathways":0,"Selected":0,"Compounds":["1","3"]},{"ID":"187","Name":"4-hydroxyproline","SMILES":"O=C(O)C1CC(O)CN1","Products":1,"Pathways":0,"Selected":0,"Compounds":["421"]},{"ID":"188","Name":"Proline","SMILES":"O=C(O)C1CCCN1","Products":2,"Pathways":0,"Selected":0,"Compounds":["416","424"]},{"ID":"189","Name":"Homocysteine","SMILES":"NC(CCS)C(=O)O","Products":57,"Pathways":343,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","138","172","178","180","185","189","192","217","218","245","249","250","255","257","27","277","279","299","318","321","322","342","357","358","365","368","383","384","390","434","444","445","455","460","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"190","Name":"Arabinose","SMILES":"OC1OC[C@H](O)[C@H](O)[C@H]1O","Products":2,"Pathways":0,"Selected":0,"Compounds":["2","5"]},{"ID":"191","Name":"Lysine","SMILES":"NCCCC[C@H](N)C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["336"]},{"ID":"192","Name":"Arginine","SMILES":"N=C(N)NCCCC(N)C(=O)O","Products":60,"Pathways":514,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","138","14","151","172","178","180","185","189","192","218","227","245","249","255","257","284","285","287","288","312","318","322","330","336","342","345","358","365","368","390","397","408","409","412","42","422","434","444","445","451","452","453","460","48","53","55","57","58","59","60","68","90"]},{"ID":"194","Name":"Oleoyl-coa","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O","Products":7,"Pathways":35,"Selected":0,"Compounds":["178","181","187","192","281","444","445"]},{"ID":"195","Name":"Palmitoyl-coa","SMILES":"CCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O","Products":7,"Pathways":89,"Selected":0,"Compounds":["178","181","187","192","281","444","445"]},{"ID":"196","Name":"Sulfate","SMILES":"O=S(=O)(O)O","Products":16,"Pathways":2340,"Selected":0,"Compounds":["178","192","318","322","329","336","348","351","365","368","390","434","444","455","460","465"]},{"ID":"197","Name":"Sulfite","SMILES":"O=S(O)O","Products":54,"Pathways":271,"Selected":0,"Compounds":["110","112","117","123","128","129","13","132","138","172","178","180","185","189","192","218","245","249","250","255","27","312","318","321","322","330","336","341","342","345","358","364","365","370","388","390","42","429","434","444","445","455","48","55","57","58","59","60","68","7","84","87","89","90"]},{"ID":"198","Name":"2-aminoethylphosphonate","SMILES":"NCCP(=O)(O)O","Products":56,"Pathways":2111,"Selected":0,"Compounds":["100","105","110","123","128","13","132","138","143","144","145","147","150","172","178","180","181","185","187","189","192","218","245","249","255","257","281","284","285","287","288","304","318","321","322","330","336","341","345","357","358","365","368","383","384","390","444","445","455","53","68","7","84","87","89","90"]},{"ID":"199","Name":"Xylose","SMILES":"OC1OC[C@@H](O)[C@H](O)[C@H]1O","Products":2,"Pathways":0,"Selected":0,"Compounds":["2","5"]},{"ID":"200","Name":"Psicose","SMILES":"OCC1(O)OC[C@@H](O)[C@@H](O)[C@H]1O","Products":1,"Pathways":0,"Selected":0,"Compounds":["4"]},{"ID":"202","Name":"Sucrose","SMILES":"OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O","Products":1,"Pathways":0,"Selected":0,"Compounds":["0"]},{"ID":"203","Name":"Shikimate","SMILES":"O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1","Products":1,"Pathways":0,"Selected":0,"Compounds":["216"]},{"ID":"204","Name":"Ornithine","SMILES":"NCCCC(N)C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["408"]},{"ID":"205","Name":"L-citrulline","SMILES":"N=C(O)NCCC[C@H](N)C(=O)O","Products":37,"Pathways":202,"Selected":0,"Compounds":["112","116","117","120","123","129","158","192","255","318","322","329","336","341","342","357","358","383","384","390","397","407","408","411","413","42","429","445","451","455","460","68","7","84","87","89","90"]},{"ID":"208","Name":"2-keto-d-gluconate","SMILES":"O=C(O)C(=O)C(O)C(O)C(O)CO","Products":54,"Pathways":4011,"Selected":0,"Compounds":["100","105","110","123","128","13","133","138","158","172","180","185","189","192","218","245","249","250","255","284","285","312","318","321","322","329","330","336","342","357","364","365","370","383","384","388","390","397","42","434","445","460","48","53","55","57","58","59","60","68","7","90","95","96"]},{"ID":"209","Name":"N-acetylmannosamine-6-phosphate","SMILES":"CC(O)=N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O","Products":51,"Pathways":1504,"Selected":0,"Compounds":["100","105","110","112","117","128","133","138","151","178","185","189","192","217","218","245","249","250","255","27","284","285","318","321","322","329","330","341","342","345","357","364","370","383","384","388","390","397","42","429","434","444","445","53","68","84","87","89","90","95","96"]},{"ID":"210","Name":"Sialic acid","SMILES":"CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO","Products":12,"Pathways":212,"Selected":0,"Compounds":["112","178","192","357","383","384","390","397","429","434","444","445"]},{"ID":"211","Name":"N-acetylneuraminate","SMILES":"CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(O)(C(=O)O)C[C@@H]1O","Products":49,"Pathways":2932,"Selected":0,"Compounds":["100","105","110","112","13","133","138","14","151","172","178","180","181","185","187","189","192","217","218","219","222","245","250","255","27","318","322","330","341","345","357","364","370","383","384","388","390","397","42","429","434","444","445","53","68","84","87","89","90"]},{"ID":"213","Name":"Guanine","SMILES":"N=c1nc(O)c2nc[nH]c2[nH]1","Products":44,"Pathways":2618,"Selected":0,"Compounds":["100","105","128","13","151","178","181","192","193","255","312","318","321","322","336","341","342","357","364","365","370","383","384","388","390","42","434","444","445","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"214","Name":"5-phosphoribosyl 1-pyrophosphate","SMILES":"O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O","Products":57,"Pathways":2396,"Selected":0,"Compounds":["110","112","117","128","129","13","132","133","138","151","172","178","180","181","185","189","192","193","217","218","245","249","255","257","27","271","278","284","285","287","288","308","318","321","322","330","336","341","342","357","365","383","384","390","42","429","434","444","445","455","53","68","7","84","87","89","90"]},{"ID":"215","Name":"Branched-chain amino acids","SMILES":"CC(C)C[C@H](N)C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["130"]},{"ID":"216","Name":"Guanosine triphosphate","SMILES":"N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1","Products":48,"Pathways":1295,"Selected":0,"Compounds":["110","123","128","129","132","138","151","172","180","185","189","192","217","218","245","249","250","255","271","277","278","279","299","308","312","318","321","322","330","336","357","358","364","365","370","383","384","388","390","42","460","53","68","7","84","87","89","90"]},{"ID":"217","Name":"2-keto-3-deoxygluconate","SMILES":"O=C(O)C(=O)CC(O)C(O)CO","Products":50,"Pathways":4377,"Selected":0,"Compounds":["100","105","110","128","13","132","133","138","185","189","192","217","218","245","249","250","255","27","284","285","318","321","322","329","336","342","357","364","365","370","383","384","388","390","42","434","455","48","53","55","57","58","59","60","68","7","84","87","89","90"]},{"ID":"218","Name":"Sorbose","SMILES":"OCC1(O)OC[C@H](O)[C@@H](O)[C@@H]1O","Products":1,"Pathways":0,"Selected":0,"Compounds":["4"]},{"ID":"219","Name":"Rhamnose","SMILES":"C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O","Products":67,"Pathways":3254,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","151","172","178","180","185","189","192","217","218","245","249","250","255","27","284","285","287","288","312","318","322","329","330","336","341","342","357","358","364","368","370","383","384","388","390","397","42","434","444","445","455","460","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"220","Name":"S-adenosylmethionine","SMILES":"C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O","Products":60,"Pathways":8305,"Selected":0,"Compounds":["100","105","110","128","129","13","132","133","138","151","172","178","180","181","185","189","192","217","218","245","250","255","257","27","271","278","308","312","318","321","322","330","336","357","358","364","365","370","383","384","388","390","42","434","444","455","48","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"221","Name":"Guanosine 3',5'-bis(diphosphate)","SMILES":"N=c1nc(O)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C3O)c2[nH]1","Products":55,"Pathways":2539,"Selected":0,"Compounds":["110","123","128","129","13","132","138","185","189","192","193","217","218","245","249","250","255","257","27","284","285","312","318","321","322","330","336","341","342","348","351","357","358","364","365","370","383","384","388","390","42","434","465","48","53","55","57","58","59","60","68","84","87","89","90"]},{"ID":"222","Name":"Thiosulphate","SMILES":"O=S(O)(O)=S","Products":48,"Pathways":242,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","192","193","245","249","257","27","284","285","287","288","318","322","336","357","358","364","365","368","370","383","384","388","390","42","48","53","55","57","58","59","60","7","84","87","89","90","95","96"]},{"ID":"223","Name":"Homogentisate","SMILES":"O=C(O)Cc1cc(O)ccc1O","Products":57,"Pathways":1325,"Selected":0,"Compounds":["100","105","110","123","128","129","13","133","138","14","151","181","185","189","192","217","218","227","245","250","255","257","27","284","285","287","288","312","330","341","342","358","364","365","368","370","388","390","42","434","455","460","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"224","Name":"Thiamine phosphate","SMILES":"Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(=N)[nH]1","Products":49,"Pathways":3285,"Selected":0,"Compounds":["100","105","110","117","123","128","129","13","138","151","172","178","180","185","189","217","218","245","249","250","255","257","284","285","318","321","322","329","342","345","357","358","364","370","383","384","388","42","434","444","460","53","68","84","87","89","90","95","96"]},{"ID":"225","Name":"Asparagine","SMILES":"N=C(O)C[C@H](N)C(=O)O","Products":65,"Pathways":1736,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","14","151","185","189","192","193","217","218","227","245","249","250","255","27","271","278","284","285","287","288","308","312","318","321","322","330","336","341","342","357","358","364","365","370","383","384","388","390","397","42","455","460","48","53","55","57","58","59","60","68","7","84","87","89","90"]},{"ID":"226","Name":"Formate","SMILES":"O=CO","Products":1,"Pathways":0,"Selected":0,"Compounds":["250"]},{"ID":"227","Name":"Galactarate","SMILES":"O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["6"]},{"ID":"228","Name":"Niacin","SMILES":"O=C(O)c1cccnc1","Products":36,"Pathways":1323,"Selected":0,"Compounds":["110","123","128","13","132","138","172","178","180","181","185","189","218","245","250","255","257","27","312","318","322","329","330","336","341","342","42","434","444","445","460","68","84","87","89","90"]},{"ID":"231","Name":"Tert-butyl hydroperoxide","SMILES":"CC(C)(C)OO","Products":59,"Pathways":917,"Selected":0,"Compounds":["100","105","110","123","128","13","132","133","138","192","245","249","250","255","257","27","284","285","287","288","312","318","321","322","329","330","336","341","342","357","358","364","368","370","383","384","388","390","397","42","434","445","455","460","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"232","Name":"Cumene hydroperoxide","SMILES":"CC(C)(OO)c1ccccc1","Products":58,"Pathways":593,"Selected":0,"Compounds":["100","105","116","120","128","129","13","132","133","172","180","185","189","192","218","255","257","27","284","285","312","318","321","322","330","336","342","357","358","364","365","368","370","383","384","388","390","397","42","434","445","455","460","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"233","Name":"Galangin","SMILES":"O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12","Products":60,"Pathways":8261,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","14","172","180","185","187","189","192","217","218","227","245","249","257","27","277","279","284","285","287","288","299","318","322","336","341","342","348","351","357","364","368","370","383","384","388","390","397","42","434","445","455","465","53","7","84","87","89","90","95","96"]},{"ID":"234","Name":"Tamarixetin","SMILES":"COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O","Products":54,"Pathways":7510,"Selected":0,"Compounds":["100","105","110","116","120","128","13","133","138","14","151","172","178","180","181","185","189","193","217","218","227","245","249","250","255","257","271","278","284","285","308","318","321","322","330","336","341","357","358","364","368","370","383","384","388","42","444","68","84","87","89","90","95","96"]},{"ID":"235","Name":"2-methylcitrate","SMILES":"CC(C(=O)O)C(O)(CC(=O)O)C(=O)O","Products":40,"Pathways":364,"Selected":0,"Compounds":["110","112","117","129","133","138","151","172","180","185","189","218","245","249","250","27","275","281","284","285","318","322","330","336","342","345","358","364","368","370","388","42","429","434","455","53","84","87","89","90"]},{"ID":"236","Name":"2-keto-3-deoxy-6-phosphogluconate","SMILES":"O=C(O)C(=O)C[C@H](O)[C@H](O)COP(=O)(O)O","Products":55,"Pathways":16007,"Selected":0,"Compounds":["100","105","110","128","132","133","138","151","172","180","185","189","192","217","218","245","250","255","27","284","285","318","321","322","329","330","336","341","342","357","358","364","365","370","383","384","388","390","397","42","445","455","460","48","55","57","58","59","60","68","7","84","87","89","90"]},{"ID":"237","Name":"Mannose-6-phosphate","SMILES":"O=P(O)(O)OCC1OC(O)C(O)C(O)C1O","Products":1,"Pathways":0,"Selected":0,"Compounds":["89"]},{"ID":"238","Name":"Formaldehyde","SMILES":"C=O","Products":42,"Pathways":144,"Selected":0,"Compounds":["110","116","120","128","129","13","132","138","192","245","249","284","285","312","318","321","322","336","342","345","357","358","364","365","370","383","384","388","390","397","42","445","455","460","53","7","84","87","89","90","95","96"]},{"ID":"239","Name":"Methylglyoxal","SMILES":"CC(=O)C=O","Products":1,"Pathways":0,"Selected":0,"Compounds":["85"]},{"ID":"240","Name":"Rhamnulose-1-phosphate","SMILES":"C[C@H](O)[C@@H](O)[C@H](O)C(=O)COP(=O)(O)O","Products":40,"Pathways":431,"Selected":0,"Compounds":["110","112","117","123","13","133","138","151","172","178","180","181","185","189","218","245","249","250","27","284","285","330","342","345","357","364","370","383","384","388","42","429","444","445","460","53","84","87","89","90"]},{"ID":"241","Name":"Raffinose","SMILES":"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","Products":44,"Pathways":6832,"Selected":0,"Compounds":["110","123","128","129","13","132","138","151","178","181","192","245","249","255","284","287","288","312","318","321","322","336","341","342","345","357","365","368","383","384","390","42","444","445","455","460","68","7","84","87","89","90","95","96"]},{"ID":"244","Name":"P-coumaric acid","SMILES":"O=C(O)/C=C/c1ccc(O)cc1","Products":1,"Pathways":0,"Selected":0,"Compounds":["154"]},{"ID":"245","Name":"Citrate","SMILES":"O=C(O)CC(O)(CC(=O)O)C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["364"]},{"ID":"247","Name":"Glycine","SMILES":"NCC(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["57"]},{"ID":"248","Name":"N-acetylmuramate-6-phosphate","SMILES":"CC(O)=N[C@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O[C@H](C)C(=O)O","Products":26,"Pathways":136,"Selected":0,"Compounds":["100","105","117","128","13","133","151","172","180","185","189","218","27","321","341","348","351","358","42","465","84","87","89","90","95","96"]},{"ID":"249","Name":"Pyruvate","SMILES":"CC(=O)C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["247"]},{"ID":"250","Name":"Glycolate","SMILES":"O=C(O)CO","Products":1,"Pathways":0,"Selected":0,"Compounds":["23"]},{"ID":"251","Name":"Adenosine diphosphate ribose","SMILES":"Nc1ncnc2c1ncn2[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]1O","Products":40,"Pathways":1491,"Selected":0,"Compounds":["110","123","128","129","13","132","138","192","245","250","257","284","287","288","312","318","321","322","329","330","336","341","342","358","364","365","368","370","388","390","42","455","460","53","84","87","89","90","95","96"]},{"ID":"252","Name":"4-hydroxyphenylpyruvate","SMILES":"O=C(O)C(=O)Cc1ccc(O)cc1","Products":12,"Pathways":12,"Selected":0,"Compounds":["100","105","128","132","185","189","217","218","321","364","370","388"]},{"ID":"253","Name":"L-malate","SMILES":"O=C(O)C[C@@H](O)C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["366"]},{"ID":"255","Name":"Ethanolamine","SMILES":"NCCO","Products":1,"Pathways":0,"Selected":0,"Compounds":["70"]},{"ID":"257","Name":"Biotin","SMILES":"O=C(O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21","Products":15,"Pathways":15,"Selected":0,"Compounds":["123","129","284","285","318","321","322","336","342","357","368","383","384","53","90"]},{"ID":"258","Name":"2-acetolactate","SMILES":"CC(=O)C(C)(O)C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["125"]},{"ID":"260","Name":"Gamma-aminobutyric acid","SMILES":"NCCCC(=O)O","Products":3,"Pathways":3,"Selected":0,"Compounds":["200","368","90"]},{"ID":"261","Name":"Deoxyribose-5-phosphate","SMILES":"O=P(O)(O)OCC1OC(O)CC1O","Products":6,"Pathways":6,"Selected":0,"Compounds":["110","13","138","245","249","90"]},{"ID":"262","Name":"Maltose-6-phosphate","SMILES":"O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O","Products":8,"Pathways":11,"Selected":0,"Compounds":["348","351","358","465","84","87","89","90"]},{"ID":"263","Name":"4,5-dihydroxypentan-2,3-dione","SMILES":"CC(=O)C(=O)C(O)CO","Products":65,"Pathways":6578,"Selected":0,"Compounds":["110","123","128","129","13","133","138","151","178","181","185","189","192","217","218","245","249","250","255","257","27","271","278","284","285","287","288","308","312","318","321","322","329","330","336","341","342","364","365","368","370","388","390","397","42","434","444","445","455","460","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"264","Name":"Nad","SMILES":"N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1","Products":3,"Pathways":9,"Selected":0,"Compounds":["357","383","384"]},{"ID":"265","Name":"Pyrimidine nucleoside","SMILES":"OC[C@H]1O[C@@H]([n+]2cccnc2)[C@H](O)[C@@H]1O","Products":1,"Pathways":6,"Selected":0,"Compounds":["90"]},{"ID":"266","Name":"Taurine","SMILES":"NCCS(=O)(=O)O","Products":56,"Pathways":12561,"Selected":0,"Compounds":["100","105","110","123","128","13","132","133","138","14","172","180","185","189","192","218","219","222","245","250","255","257","27","284","285","287","288","312","321","341","342","357","358","364","365","370","383","384","388","390","397","434","445","460","48","53","55","57","58","59","60","68","7","90","95","96"]},{"ID":"267","Name":"Fructoselysine 6-phosphate","SMILES":"N[C@@H](CCCCNCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)C(=O)O","Products":1,"Pathways":3,"Selected":0,"Compounds":["90"]},{"ID":"268","Name":"Flavin mononucleotide","SMILES":"Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C","Products":5,"Pathways":5,"Selected":0,"Compounds":["128","132","312","341","90"]},{"ID":"269","Name":"2-deoxy-5-keto-d-gluconate 6-phosphate","SMILES":"O=C(O)C[C@@H](O)[C@H](O)C(=O)COP(=O)(O)O","Products":60,"Pathways":2358,"Selected":0,"Compounds":["110","128","129","13","132","133","138","151","172","178","180","181","185","189","192","218","245","249","255","27","284","285","287","288","312","318","322","329","330","336","354","357","358","364","365","368","370","383","384","388","390","397","417","422","434","444","445","460","48","55","57","58","59","60","68","7","84","87","89","90"]},{"ID":"270","Name":"Adenosine","SMILES":"Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O","Products":1,"Pathways":6,"Selected":0,"Compounds":["90"]},{"ID":"271","Name":"4,5-dihydroxy-2,3-pentanedione","SMILES":"CC(=O)C(=O)[C@@H](O)CO","Products":2,"Pathways":2,"Selected":0,"Compounds":["341","342"]},{"ID":"274","Name":"(4s)-4-hydroxy-5-phosphooxypentane-2,3-dione","SMILES":"CC(=O)C(=O)[C@@H](O)COP(=O)(O)O","Products":50,"Pathways":12856,"Selected":0,"Compounds":["100","105","110","128","13","132","133","138","151","172","178","180","181","185","189","217","218","245","249","250","255","277","279","284","285","299","312","318","322","329","330","357","364","368","370","383","384","388","42","434","444","460","53","68","84","87","89","90","95","96"]},{"ID":"276","Name":"L-arginine","SMILES":"N=C(N)NCCC[C@H](N)C(=O)O","Products":16,"Pathways":27,"Selected":0,"Compounds":["178","192","312","341","342","390","397","409","412","422","444","451","452","453","53","90"]},{"ID":"278","Name":"L-homocysteine","SMILES":"N[C@@H](CCS)C(=O)O","Products":3,"Pathways":3,"Selected":0,"Compounds":["178","321","444"]},{"ID":"279","Name":"Hypoxanthine","SMILES":"Oc1ncnc2[nH]cnc12","Products":9,"Pathways":9,"Selected":0,"Compounds":["100","105","110","138","245","249","364","370","388"]},{"ID":"280","Name":"Menadione","SMILES":"CC1=CC(=O)c2ccccc2C1=O","Products":63,"Pathways":982,"Selected":0,"Compounds":["100","105","110","116","120","128","129","13","132","138","14","151","178","181","227","245","249","255","257","27","271","277","278","279","284","285","287","288","299","308","312","321","330","341","342","345","354","357","358","364","368","370","383","384","388","417","422","444","455","48","53","55","57","58","59","60","68","84","87","89","90","95","96"]},{"ID":"283","Name":"Adenosine 5' phosphosulphate","SMILES":"Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O)[C@H]1O","Products":64,"Pathways":2745,"Selected":0,"Compounds":["110","123","128","129","13","133","138","14","151","178","181","193","227","245","249","255","257","27","271","277","278","279","284","287","288","299","308","312","318","321","322","329","330","336","341","348","351","354","357","364","368","370","383","384","388","417","42","420","444","465","48","53","55","57","58","59","60","68","84","87","89","90","95","96"]},{"ID":"284","Name":"D-serine","SMILES":"N[C@H](CO)C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["58"]},{"ID":"285","Name":"D-fucose","SMILES":"CC1OC(O)C(O)C(O)C1O","Products":67,"Pathways":1024,"Selected":0,"Compounds":["123","128","129","13","132","133","143","144","145","147","150","151","172","178","180","181","185","189","193","200","218","255","257","27","281","284","285","287","288","304","312","318","321","322","329","330","336","341","342","354","357","358","364","368","370","383","384","388","417","42","420","422","444","445","48","55","57","58","59","60","68","84","87","89","90","95","96"]},{"ID":"286","Name":"Maltotriose","SMILES":"OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O","Products":59,"Pathways":11838,"Selected":0,"Compounds":["110","116","120","123","128","129","132","133","138","14","178","181","185","187","189","192","193","198","217","218","227","245","249","255","257","27","271","278","284","285","287","288","308","312","318","321","322","330","336","341","342","345","358","364","368","370","388","42","434","444","445","53","68","84","87","89","90","95","96"]},{"ID":"288","Name":"Adp","SMILES":"Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O","Products":48,"Pathways":1809,"Selected":0,"Compounds":["100","105","116","120","123","128","129","132","185","189","193","217","218","255","257","27","284","285","287","288","312","318","322","329","330","336","341","348","351","354","357","358","368","383","384","417","422","445","460","465","53","68","84","87","89","90","95","96"]},{"ID":"289","Name":"Fructuronate","SMILES":"O=C(O)[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O","Products":66,"Pathways":1447,"Selected":0,"Compounds":["116","120","123","128","129","13","132","133","185","187","189","192","193","198","217","218","257","27","271","278","281","284","285","287","288","308","312","318","321","322","329","330","336","341","342","354","357","358","364","365","368","370","383","384","388","390","417","42","420","422","434","445","455","48","53","55","57","58","59","60","84","87","89","90","95","96"]},{"ID":"290","Name":"Alpha-d-glucuronate","SMILES":"O=C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O","Products":8,"Pathways":236,"Selected":0,"Compounds":["178","354","417","422","444","445","455","460"]},{"ID":"291","Name":"Allolactose","SMILES":"OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O","Products":27,"Pathways":340,"Selected":0,"Compounds":["110","123","128","129","132","133","138","143","144","145","147","150","181","187","192","193","198","245","249","271","278","281","308","312","357","383","384"]},{"ID":"293","Name":"Leucine","SMILES":"CC(C)CC(N)C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["130"]},{"ID":"294","Name":"Purine","SMILES":"c1ncc2nc[nH]c2n1","Products":37,"Pathways":3181,"Selected":0,"Compounds":["110","138","14","151","193","227","245","249","255","257","271","277","278","279","284","285","299","308","318","321","322","336","341","348","351","354","358","364","368","370","388","417","420","422","445","465","68"]},{"ID":"296","Name":"N-monoacetylchitobiose-6-phosphate","SMILES":"CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N)C(O)O[C@@H]2CO)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O","Products":78,"Pathways":12663,"Selected":0,"Compounds":["100","105","110","117","128","13","132","133","138","14","143","144","145","147","150","151","172","178","180","185","187","189","192","193","218","227","245","249","255","257","27","271","277","278","279","281","284","287","288","299","308","312","318","321","322","329","330","336","341","342","348","351","357","358","364","365","368","370","383","384","388","390","42","434","444","445","455","460","465","53","68","7","84","87","89","90","95","96"]},{"ID":"297","Name":"L-carnitine","SMILES":"C[N+](C)(C)C[C@H](O)CC(=O)O","Products":41,"Pathways":208,"Selected":0,"Compounds":["100","105","110","123","128","132","133","138","151","187","192","245","249","255","257","284","287","288","312","318","322","330","336","341","342","345","348","351","358","365","368","390","42","445","455","465","53","68","7","95","96"]},{"ID":"301","Name":"O-acetyl-l-serine","SMILES":"CC(=O)OC[C@H](N)C(=O)O","Products":65,"Pathways":336,"Selected":0,"Compounds":["100","105","123","128","13","132","133","14","143","144","145","147","150","151","158","172","178","180","185","187","189","192","193","200","217","218","223","227","230","235","255","257","27","281","284","285","287","288","304","318","321","322","329","330","336","341","354","357","364","368","370","383","384","388","417","42","420","422","444","445","460","68","90","95","96"]},{"ID":"302","Name":"Cytidine","SMILES":"N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1","Products":73,"Pathways":732,"Selected":0,"Compounds":["100","105","110","116","120","128","129","13","132","133","138","151","172","178","180","181","185","189","192","198","217","218","245","249","255","257","27","271","277","278","279","284","285","287","288","299","308","318","321","322","330","336","342","354","357","358","364","365","368","370","383","384","388","390","417","42","420","422","444","445","48","55","57","58","59","60","68","84","87","89","90","95","96"]},{"ID":"304","Name":"Adenosyl-l-methionine","SMILES":"C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O","Products":73,"Pathways":6394,"Selected":0,"Compounds":["100","105","110","116","120","128","129","13","132","133","138","14","151","178","181","185","189","217","218","227","245","249","255","257","27","271","277","278","279","284","285","287","288","299","308","312","318","321","322","330","336","341","342","354","357","358","364","370","383","384","388","417","42","420","422","434","444","460","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"305","Name":"Biotinyl-5'-amp","SMILES":"Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SCC3N=C(O)NC32)[C@@H](O)[C@H]1O","Products":63,"Pathways":766,"Selected":0,"Compounds":["100","105","123","128","129","13","133","14","151","178","181","185","189","192","217","218","227","255","257","27","271","277","278","279","284","285","299","308","312","318","322","329","330","336","341","342","354","358","364","365","368","370","388","390","417","420","434","444","445","48","53","55","57","58","59","60","68","84","87","89","90","95","96"]},{"ID":"306","Name":"Datp","SMILES":"Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1","Products":55,"Pathways":9376,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","14","151","178","181","185","189","217","218","227","245","249","255","257","27","284","285","318","321","322","329","330","354","357","364","368","370","383","384","388","417","42","420","444","445","48","53","55","57","58","59","60","68","90","95","96"]},{"ID":"308","Name":"3-(2,3-dihydroxyphenyl)propionate [dhpp]","SMILES":"O=C(O)CCc1cccc(O)c1O","Products":81,"Pathways":1475,"Selected":0,"Compounds":["100","105","110","116","120","123","128","13","132","133","138","143","144","145","147","150","151","158","178","181","187","192","193","245","249","255","257","27","271","278","279","281","284","285","287","288","312","318","321","322","329","330","336","341","342","345","348","351","354","357","358","365","368","383","384","390","408","417","420","422","435","444","445","455","460","465","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"309","Name":"Alpha-d-xylopyranose","SMILES":"O[C@@H]1[C@@H](O)[C@@H](O)OC[C@H]1O","Products":2,"Pathways":0,"Selected":0,"Compounds":["2","5"]},{"ID":"310","Name":"Xanthosine","SMILES":"OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O","Products":65,"Pathways":1733,"Selected":0,"Compounds":["100","105","110","112","117","128","129","132","133","138","151","181","193","245","249","255","257","271","277","278","279","284","285","287","288","299","308","312","318","321","322","329","330","336","341","342","348","351","354","357","358","364","368","370","383","384","388","417","42","420","422","429","445","465","48","55","57","58","59","60","68","84","87","89","90"]},{"ID":"312","Name":"Acyl-coa","SMILES":"CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O","Products":71,"Pathways":330,"Selected":0,"Compounds":["100","105","110","112","116","117","120","123","128","129","13","132","133","138","143","144","145","147","150","178","192","245","246","249","250","255","27","281","284","287","288","304","312","318","319","321","322","329","330","336","341","342","354","357","358","364","365","368","370","383","384","388","390","397","408","417","42","420","422","429","444","445","455","53","68","7","84","87","89","95","96"]},{"ID":"313","Name":"L-lactose","SMILES":"OC[C@H]1O[C@@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O","Products":63,"Pathways":2214,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","151","172","178","180","185","189","192","217","218","245","249","250","255","257","271","278","284","287","288","308","312","318","321","322","330","357","364","368","370","383","384","388","390","397","42","434","444","455","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"314","Name":"Allantoin","SMILES":"N=C(O)NC1N=C(O)N=C1O","Products":53,"Pathways":2023,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","192","245","249","250","255","27","284","285","287","288","312","318","321","322","329","330","336","342","357","358","365","368","383","384","390","42","434","445","460","48","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"315","Name":"Cyanate","SMILES":"N#CO","Products":60,"Pathways":2735,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","151","181","185","189","192","217","218","245","249","250","255","27","271","278","284","287","288","308","312","321","329","341","342","357","358","364","365","368","370","383","384","388","390","397","455","460","48","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"316","Name":"Glyoxylate","SMILES":"O=CC(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["373"]},{"ID":"317","Name":"N-acetyl-d-glucosamine-6-phosphate","SMILES":"CC(O)=NC1C(O)OC(COP(=O)(O)O)C(O)C1O","Products":66,"Pathways":19250,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","151","172","178","180","181","185","189","192","217","218","245","249","250","255","257","27","284","285","287","288","312","318","322","330","336","342","348","351","357","358","364","365","368","370","383","384","388","390","42","444","445","465","48","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"319","Name":"L-alanine","SMILES":"C[C@H](N)C(=O)O","Products":75,"Pathways":1062,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","14","151","172","178","180","181","185","189","192","217","218","227","245","249","250","255","257","27","284","285","287","288","312","318","321","322","329","330","336","341","342","345","357","358","364","365","368","370","383","384","388","390","407","409","412","434","444","445","453","455","460","48","53","55","57","58","59","60","68","84","87","89","90","95","96"]},{"ID":"320","Name":"Thymine","SMILES":"Cc1cnc(O)nc1O","Products":64,"Pathways":9274,"Selected":0,"Compounds":["100","105","110","128","129","132","133","138","14","151","178","181","185","189","192","217","218","227","245","249","250","255","257","27","284","285","287","288","312","318","321","322","329","330","336","342","357","358","364","365","370","383","384","388","390","397","42","434","444","445","455","460","48","53","55","57","58","59","60","68","7","90","95","96"]},{"ID":"321","Name":"Met-oxidized","SMILES":"CS(=O)CCC(N)C(=O)O","Products":58,"Pathways":975,"Selected":0,"Compounds":["100","105","110","123","128","13","132","133","138","14","151","172","178","180","181","185","189","192","217","218","227","245","249","250","255","257","27","284","285","287","288","318","321","322","330","336","341","342","358","364","365","370","388","390","397","42","434","444","445","455","53","68","84","87","89","90","95","96"]},{"ID":"324","Name":"Glutarate","SMILES":"O=C(O)CCCC(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["357"]},{"ID":"325","Name":"L-ascorbate 6-phosphate","SMILES":"O=C1O[C@H]([C@@H](O)COP(=O)(O)O)C(O)=C1O","Products":57,"Pathways":10618,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","138","151","172","180","181","185","189","192","217","218","245","250","255","257","27","284","285","287","288","312","318","322","330","336","341","342","357","358","365","368","383","384","390","42","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"326","Name":"D-xylonate","SMILES":"O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO","Products":1,"Pathways":0,"Selected":0,"Compounds":["22"]},{"ID":"327","Name":"L-tartrate","SMILES":"O=C(O)[C@H](O)[C@@H](O)C(=O)O","Products":59,"Pathways":1408,"Selected":0,"Compounds":["100","105","123","128","129","13","132","151","172","178","180","185","189","193","217","218","255","257","271","278","279","284","285","287","288","318","321","322","330","336","341","357","358","364","368","370","383","384","388","42","435","444","445","455","460","48","53","55","57","58","59","60","68","84","87","89","90","95","96"]},{"ID":"329","Name":"N-decanoyl-l-homoserine lactone","SMILES":"CCCCCCCCCC(O)=N[C@H]1CCOC1=O","Products":22,"Pathways":116,"Selected":0,"Compounds":["128","132","143","144","145","147","150","151","158","193","200","281","304","321","364","370","388","434","445","84","87","89"]},{"ID":"330","Name":"N-tetradecanoyl-l-homoserine lactone","SMILES":"CCCCCCCCCCCCCC(O)=N[C@H]1CCOC1=O","Products":31,"Pathways":222,"Selected":0,"Compounds":["112","117","143","144","145","147","150","151","158","172","178","180","185","187","189","192","193","200","218","281","304","330","354","417","420","422","429","434","444","445","90"]},{"ID":"332","Name":"N-butyryl-l-homoserine lactone","SMILES":"CCCC(O)=N[C@H]1CCOC1=O","Products":70,"Pathways":998,"Selected":0,"Compounds":["110","123","128","129","13","132","133","138","143","144","145","147","150","151","178","181","192","245","249","255","257","27","271","278","281","284","285","287","288","304","308","312","318","322","329","330","336","342","354","357","358","364","365","368","370","383","384","388","390","417","42","420","422","434","444","445","455","460","48","53","55","57","58","59","60","68","7","90","95","96"]},{"ID":"334","Name":"N-(p-coumaroyl)-l-homoserine lactone","SMILES":"O=C1OCC[C@@H]1N=C(O)/C=C/c1ccc(O)cc1","Products":81,"Pathways":3025,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","143","144","145","147","150","151","158","172","178","180","185","189","192","217","218","245","249","255","257","27","271","278","281","284","285","287","288","304","308","312","318","319","321","322","329","330","336","341","342","354","357","358","364","365","368","370","383","384","388","390","417","42","420","422","444","445","455","48","53","55","57","58","59","60","68","84","87","89","90","95","96"]},{"ID":"338","Name":"N-(3-hydroxytetradecanoyl)-l-homoserine lactone","SMILES":"CCCCCCCCCCCC(O)CC(O)=N[C@H]1CCOC1=O","Products":25,"Pathways":212,"Selected":0,"Compounds":["143","144","145","147","150","151","158","178","187","192","281","304","329","330","354","417","420","422","434","444","445","84","87","89","90"]},{"ID":"339","Name":"N-isovaleryl-l-homoserine lactone","SMILES":"CC(C)CC(O)=N[C@H]1CCOC1=O","Products":78,"Pathways":3414,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","133","138","14","151","158","172","178","180","185","189","192","217","218","219","222","227","245","249","255","257","271","277","278","279","284","287","288","299","308","312","318","321","322","329","330","336","341","354","357","358","364","365","370","383","384","388","390","417","42","420","422","444","445","455","460","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"341","Name":"N-(3-oxotetradecanoyl)-l-homoserine lactone","SMILES":"CCCCCCCCCCCC(=O)CC(O)=N[C@H]1CCOC1=O","Products":45,"Pathways":224,"Selected":0,"Compounds":["128","129","13","132","133","143","144","145","147","150","151","158","172","180","181","185","187","189","192","193","200","217","218","255","27","281","304","312","318","321","322","329","330","354","368","417","420","422","434","445","53","68","90","95","96"]},{"ID":"342","Name":"N-(3-oxodecanoyl)-l-homoserine lactone","SMILES":"CCCCCCCC(=O)CC(O)=N[C@H]1CCOC1=O","Products":4,"Pathways":76,"Selected":0,"Compounds":["178","434","444","445"]},{"ID":"343","Name":"N-(3-oxododecanoyl)-l-homoserine lactone","SMILES":"CCCCCCCCCC(=O)CC(O)=N[C@H]1CCOC1=O","Products":40,"Pathways":192,"Selected":0,"Compounds":["100","105","128","143","144","145","147","150","151","193","200","255","257","27","281","304","312","318","321","322","330","341","364","370","388","434","445","48","55","57","58","59","60","68","84","87","89","90","95","96"]},{"ID":"347","Name":"N-(3-hydroxydodecanoyl)-l-homoserine lactone","SMILES":"CCCCCCCCCC(O)CC(O)=NC1CCOC1=O","Products":3,"Pathways":6,"Selected":0,"Compounds":["84","87","89"]},{"ID":"349","Name":"N-(3-hydroxyhexadecanoyl)-l-homoserine lactone","SMILES":"CCCCCCCCCCCCCC(O)CC(O)=NC1CCOC1=O","Products":36,"Pathways":304,"Selected":0,"Compounds":["110","138","143","144","145","147","150","158","172","178","180","181","185","187","189","192","193","200","218","245","249","281","304","329","330","354","417","420","422","434","444","445","84","87","89","90"]},{"ID":"351","Name":"N-tetradec-7-enoyl-l-homoserine lactone","SMILES":"CCCCCC/C=C/CCCCCC(O)=NC1CCOC1=O","Products":50,"Pathways":14736,"Selected":0,"Compounds":["100","105","112","117","123","128","129","13","132","133","14","151","178","181","193","227","255","257","27","277","279","284","285","299","312","318","321","322","329","330","336","341","354","358","364","368","370","388","417","42","420","422","429","434","444","53","68","90","95","96"]},{"ID":"359","Name":"2-heptyl-3-hydroxy-4(1h)-quinolone","SMILES":"CCCCCCCc1[nH]c2ccccc2c(=O)c1O","Products":66,"Pathways":1428,"Selected":0,"Compounds":["100","105","110","116","120","123","128","129","13","132","133","138","192","193","245","249","255","257","27","271","278","284","285","287","288","308","312","318","322","329","330","336","341","342","345","348","351","354","357","358","365","368","383","384","390","417","42","420","445","455","465","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"361","Name":"3,4-dihydroxy-2-undecyl-quinoline","SMILES":"CCCCCCCCCCCc1[nH]c2ccccc2c(=O)c1O","Products":42,"Pathways":258,"Selected":0,"Compounds":["110","112","128","13","132","138","143","144","145","147","150","151","158","178","185","187","189","192","200","217","218","245","249","255","281","304","321","354","364","370","388","417","420","422","429","444","445","68","84","87","89","90"]},{"ID":"364","Name":"2-heptylquinolin-4(1h)-one","SMILES":"CCCCCCCc1cc(=O)c2ccccc2[nH]1","Products":50,"Pathways":724,"Selected":0,"Compounds":["110","128","13","132","138","14","143","144","145","147","150","151","158","172","178","180","181","185","189","217","218","219","222","245","249","257","281","284","287","288","304","312","318","322","329","330","341","354","357","368","383","384","417","420","444","445","460","84","87","89"]},{"ID":"365","Name":"3,4-dihydroxy-2-octyl-quinoline","SMILES":"CCCCCCCCc1[nH]c2ccccc2c(=O)c1O","Products":23,"Pathways":160,"Selected":0,"Compounds":["128","132","143","144","145","147","150","193","255","281","321","357","364","370","383","384","388","434","68","84","87","89","90"]},{"ID":"368","Name":"3,4-dihydroxy-2-nonyl-quinoline","SMILES":"CCCCCCCCCc1[nH]c2ccccc2c(=O)c1O","Products":18,"Pathways":145,"Selected":0,"Compounds":["128","132","193","255","281","304","321","330","357","364","370","383","384","388","434","445","68","90"]},{"ID":"373","Name":"4-hydroxy-2-octyl-quinoline-n-oxide","SMILES":"CCCCCCCCc1cc(O)c2ccccc2[n+]1[O-]","Products":22,"Pathways":166,"Selected":0,"Compounds":["128","132","143","144","145","147","150","193","255","281","304","321","357","364","370","383","384","388","434","445","68","90"]},{"ID":"374","Name":"4-hydroxy-2-undecyl-quinoline","SMILES":"CCCCCCCCCCCc1cc(=O)c2ccccc2[nH]1","Products":41,"Pathways":264,"Selected":0,"Compounds":["110","128","132","138","143","144","145","147","150","178","185","187","189","192","193","200","217","218","245","249","255","281","304","321","330","354","357","358","383","384","408","417","420","422","444","445","68","84","87","89","90"]},{"ID":"375","Name":"4-hydroxy-2-octyl-quinoline","SMILES":"CCCCCCCCc1cc(=O)c2ccccc2[nH]1","Products":25,"Pathways":170,"Selected":0,"Compounds":["128","132","143","144","145","147","150","193","255","281","304","321","329","357","364","370","383","384","388","445","68","84","87","89","90"]},{"ID":"376","Name":"4-hydroxy-2-undecyl-quinoline-n-oxide","SMILES":"CCCCCCCCCCCc1cc(O)c2ccccc2[n+]1[O-]","Products":6,"Pathways":122,"Selected":0,"Compounds":["178","354","417","420","444","445"]},{"ID":"377","Name":"4-hydroxy-2-oct-2-enyl-quinoline-n-oxide","SMILES":"CCCCC/C=C/Cc1cc(O)c2ccccc2[n+]1[O-]","Products":75,"Pathways":3899,"Selected":0,"Compounds":["100","105","110","112","116","117","120","123","128","129","13","132","133","138","14","151","172","180","181","185","189","217","218","219","222","245","249","257","27","271","277","278","279","284","285","287","288","299","308","312","318","321","322","336","342","345","354","357","358","364","368","370","383","384","388","417","42","420","422","429","445","48","53","55","57","58","59","60","7","84","87","89","90","95","96"]},{"ID":"378","Name":"4-hydroxy-2-nonyl-quinoline-n-oxide","SMILES":"CCCCCCCCCc1cc(O)c2ccccc2[n+]1[O-]","Products":26,"Pathways":163,"Selected":0,"Compounds":["128","132","143","144","145","147","150","193","255","281","304","321","329","357","364","370","383","384","388","434","445","68","84","87","89","90"]},{"ID":"379","Name":"4-hydroxy-2-nonyl-quinoline","SMILES":"CCCCCCCCCc1cc(=O)c2ccccc2[nH]1","Products":18,"Pathways":92,"Selected":0,"Compounds":["143","144","145","147","150","193","255","281","329","364","370","388","434","68","84","87","89","90"]},{"ID":"380","Name":"4-hydroxy-undec-2enyl-quinoline","SMILES":"CCCCCCCC/C=C/Cc1cc(=O)c2ccccc2[nH]1","Products":8,"Pathways":80,"Selected":0,"Compounds":["128","132","143","144","145","147","150","90"]},{"ID":"389","Name":"N-hexadec-9-enoyl-l-homoserine lactone","SMILES":"CCCCCC/C=C/CCCCCCCC(O)=NC1CCOC1=O","Products":56,"Pathways":8296,"Selected":0,"Compounds":["100","105","112","117","123","128","13","132","133","14","172","178","180","185","189","193","218","227","255","257","27","277","279","284","285","299","312","318","321","322","329","330","336","341","354","364","368","370","388","417","42","420","422","429","434","444","445","48","53","55","57","58","59","60","68","90"]},{"ID":"390","Name":"N-(3-oxohexadecanoyl)-l-homoserine lactone","SMILES":"CCCCCCCCCCCCCC(=O)CC(O)=N[C@H]1CCOC1=O","Products":14,"Pathways":92,"Selected":0,"Compounds":["128","48","53","55","57","58","59","60","84","87","89","90","95","96"]},{"ID":"391","Name":"N-(3-oxohexadec-9-enoyl)-l-homoserine lactone","SMILES":"CCCCCC/C=C\\CCCCCC(=O)CC(O)=N[C@H]1CCOC1=O","Products":39,"Pathways":6366,"Selected":0,"Compounds":["110","138","178","181","245","249","255","257","271","277","278","279","284","285","287","288","299","308","312","318","321","322","329","330","336","341","342","357","358","364","368","370","383","384","388","434","444","445","68"]},{"ID":"392","Name":"N-hexadecanoyl-l-homoserine lactone","SMILES":"CCCCCCCCCCCCCCCC(O)=NC1CCOC1=O","Products":44,"Pathways":429,"Selected":0,"Compounds":["110","13","138","143","144","145","147","150","151","158","172","178","180","185","187","189","192","193","200","218","245","249","255","281","304","330","354","357","364","370","383","384","388","417","420","422","434","444","445","68","84","87","89","90"]},{"ID":"393","Name":"N-octadecanoyl-l-homoserine lactone","SMILES":"CCCCCCCCCCCCCCCCCC(O)=NC1CCOC1=O","Products":21,"Pathways":342,"Selected":0,"Compounds":["110","138","151","158","172","178","180","181","185","189","193","200","218","245","249","281","304","330","434","444","445"]},{"ID":"394","Name":"N-decenoyl-l-homoserine lactone","SMILES":"C=CCCCCCCCC(O)=NC1CCOC1=O","Products":6,"Pathways":39,"Selected":0,"Compounds":["128","132","281","304","321","341"]},{"ID":"396","Name":"N-octadec-2,11-dienoyl-l-homoserine lactone","SMILES":"CCCCCC/C=C/CCCCCCC/C=C/C(O)=N[C@H]1CCOC1=O","Products":58,"Pathways":11348,"Selected":0,"Compounds":["110","112","117","123","128","129","132","138","143","144","145","147","150","151","158","172","178","180","181","185","189","193","217","218","245","249","255","27","277","279","281","284","285","299","304","318","322","329","330","354","357","358","383","384","417","42","420","422","429","434","444","445","53","68","84","87","89","90"]},{"ID":"397","Name":"N-octadec-11-enoyl-l-homoserine lactone","SMILES":"CCCCCCCC/C=C\\CCCCCCCC(O)=N[C@H]1CCOC1=O","Products":19,"Pathways":144,"Selected":0,"Compounds":["143","144","145","147","150","193","200","255","281","304","364","370","388","434","68","84","87","89","90"]},{"ID":"398","Name":"Phloretin","SMILES":"O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O","Products":71,"Pathways":17850,"Selected":0,"Compounds":["100","105","110","116","120","128","129","13","132","133","138","14","143","144","145","147","150","151","172","180","181","185","189","192","217","218","227","245","249","255","257","277","279","281","284","285","299","312","318","321","322","329","330","341","354","357","358","365","368","383","384","390","417","420","422","445","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"399","Name":"Berberine","SMILES":"COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2","Products":71,"Pathways":1482,"Selected":0,"Compounds":["100","105","110","116","120","123","128","13","132","138","14","143","144","145","147","150","151","181","187","192","193","218","219","222","245","249","255","257","271","278","279","284","285","287","288","308","312","318","321","322","329","330","336","342","345","348","351","354","358","364","365","370","388","390","417","42","420","422","435","445","455","465","53","68","7","84","87","89","90","95","96"]},{"ID":"400","Name":"Acrylate","SMILES":"C=CC(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["45"]},{"ID":"401","Name":"Kaempferol","SMILES":"O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12","Products":53,"Pathways":3522,"Selected":0,"Compounds":["100","105","116","120","123","128","129","13","132","133","14","151","158","178","181","193","227","255","257","27","271","278","284","285","287","288","308","312","318","321","322","329","330","336","341","348","351","357","358","368","383","384","42","434","444","465","68","84","87","89","90","95","96"]},{"ID":"402","Name":"Camphor","SMILES":"CC12CCC(CC1=O)C2(C)C","Products":73,"Pathways":4357,"Selected":0,"Compounds":["100","105","112","117","123","128","13","132","133","143","144","145","147","150","158","178","181","185","187","189","192","193","200","217","218","255","257","27","281","284","285","287","288","304","312","318","321","322","330","336","342","348","351","354","357","368","383","384","408","417","42","420","422","429","444","445","455","460","465","48","53","55","57","58","59","60","68","84","87","89","90","95","96"]},{"ID":"403","Name":"Novobiocin","SMILES":"CO[C@@H]1[C@@H](OC(=N)O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C","Products":65,"Pathways":2577,"Selected":0,"Compounds":["100","105","110","128","129","13","132","133","138","14","151","178","181","185","189","193","217","218","227","245","249","255","257","27","271","278","308","312","318","321","322","329","330","336","342","354","357","358","364","370","383","384","388","408","417","42","420","422","434","444","445","48","53","55","57","58","59","60","68","84","87","89","90","95","96"]},{"ID":"406","Name":"(s)-dnpa","SMILES":"CC1=C2C(=O)c3c(O)cccc3C=C2C[C@@H](CC(=O)O)O1","Products":60,"Pathways":4522,"Selected":0,"Compounds":["100","105","110","128","129","13","132","133","138","178","181","185","189","192","193","217","218","245","249","27","271","278","284","285","308","312","318","321","322","329","330","336","341","342","348","351","354","357","364","365","368","370","383","384","388","390","417","42","422","444","445","455","465","53","7","84","87","89","95","96"]},{"ID":"409","Name":"Genistein","SMILES":"O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12","Products":86,"Pathways":3229,"Selected":0,"Compounds":["100","105","110","112","116","117","120","123","128","129","13","132","133","138","143","144","145","147","150","151","158","172","178","180","181","185","189","192","218","245","249","255","257","27","271","278","284","285","287","288","308","312","318","321","322","330","336","341","342","345","348","351","354","357","364","365","368","370","383","384","388","390","417","42","420","422","429","444","445","455","465","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"410","Name":"Daidzein","SMILES":"O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12","Products":80,"Pathways":6623,"Selected":0,"Compounds":["100","105","110","116","117","120","128","13","132","133","138","143","144","145","147","150","158","172","178","180","181","185","189","192","217","218","245","249","255","257","27","271","277","278","279","284","287","288","299","308","312","318","321","322","329","330","336","341","342","348","351","354","357","358","364","365","370","383","384","388","390","417","42","420","422","444","445","455","465","48","53","55","57","58","59","60","68","90","95","96"]},{"ID":"412","Name":"Resorcinol","SMILES":"Oc1cccc(O)c1","Products":49,"Pathways":3403,"Selected":0,"Compounds":["100","105","128","129","13","151","158","178","181","257","271","277","278","279","284","287","288","299","308","318","322","329","341","342","345","348","351","354","357","358","364","370","383","384","388","417","420","444","460","465","48","55","57","58","59","60","90","95","96"]},{"ID":"413","Name":"Hydroxyquinol","SMILES":"Oc1ccc(O)c(O)c1","Products":71,"Pathways":2176,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","138","14","151","154","172","178","180","181","185","186","187","189","192","200","217","218","227","245","249","255","257","271","278","279","284","285","287","288","308","312","321","329","330","341","342","345","354","357","358","364","365","368","370","383","384","388","390","417","42","420","422","435","444","445","53","68","7","84","87","89","90","95","96"]},{"ID":"415","Name":"Malonate","SMILES":"O=C(O)CC(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["51"]},{"ID":"416","Name":"Cis-cis muconate","SMILES":"O=C(O)/C=C\\C=C/C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["142"]},{"ID":"417","Name":"Octopine","SMILES":"C[C@@H](N[C@@H](CCCNC(=N)N)C(=O)O)C(=O)O","Products":69,"Pathways":4746,"Selected":0,"Compounds":["100","105","110","128","129","13","132","138","178","181","192","245","249","255","257","27","271","277","278","279","284","285","287","288","299","308","312","318","321","322","329","330","336","341","342","345","348","351","354","357","364","365","368","370","383","384","388","390","417","42","420","422","426","444","445","455","465","48","53","55","57","58","59","60","68","7","90","95","96"]},{"ID":"418","Name":"Urea","SMILES":"N=C(N)O","Products":50,"Pathways":1024,"Selected":0,"Compounds":["123","128","129","132","133","192","193","27","284","285","287","288","312","318","321","322","330","341","342","348","351","354","357","358","365","383","384","390","417","42","422","434","445","451","455","465","48","53","55","57","58","59","60","7","84","87","89","90","95","96"]},{"ID":"419","Name":"Feruloyl-coa","SMILES":"COc1cc(/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)ccc1O","Products":72,"Pathways":603,"Selected":0,"Compounds":["100","105","116","120","128","129","13","132","143","144","145","151","172","178","180","181","185","187","189","192","200","218","255","257","27","277","279","281","284","285","287","288","299","312","318","319","321","322","330","336","341","342","345","354","357","358","364","368","370","383","384","388","417","42","420","444","445","460","48","53","55","57","58","59","60","68","84","87","89","90","95","96"]},{"ID":"420","Name":"2-ketocyclohexane-1-carboxyl-coa","SMILES":"CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1=O","Products":53,"Pathways":22022,"Selected":0,"Compounds":["100","105","110","123","128","129","132","133","138","14","151","178","181","227","245","249","255","27","271","277","278","279","284","285","299","308","312","318","321","322","329","330","354","357","358","364","368","370","383","384","388","417","42","422","444","53","68","84","87","89","90","95","96"]},{"ID":"421","Name":"4-coumaroyl-coa","SMILES":"CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1","Products":77,"Pathways":9811,"Selected":0,"Compounds":["100","105","110","112","116","117","120","123","128","129","13","133","138","143","144","145","147","150","152","158","172","178","180","185","189","217","218","245","249","257","27","277","279","281","284","287","288","299","312","318","319","321","322","329","330","341","342","348","351","354","357","358","364","368","370","383","384","388","408","417","42","420","422","429","444","445","465","48","53","55","57","58","59","60","90","95","96"]},{"ID":"422","Name":"Caffeoyl-coa","SMILES":"CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1","Products":72,"Pathways":541,"Selected":0,"Compounds":["100","105","110","112","116","120","123","128","129","13","133","138","151","158","178","181","192","245","249","255","257","27","277","279","281","284","285","299","312","318","319","321","322","329","330","336","342","354","357","358","364","365","368","370","383","384","388","390","408","417","42","420","422","429","444","445","455","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]},{"ID":"423","Name":"Sinapoyl-coa","SMILES":"COc1cc(/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)cc(OC)c1O","Products":65,"Pathways":7413,"Selected":0,"Compounds":["100","105","116","120","128","129","132","133","14","151","172","178","180","181","185","189","200","217","218","227","257","27","271","277","278","279","284","285","299","308","312","318","321","322","329","330","336","342","354","357","364","368","370","383","384","388","417","42","422","444","445","460","48","53","55","57","58","59","60","84","87","89","90","95","96"]},{"ID":"426","Name":"Laminaribiose","SMILES":"OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)OC(O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","Products":70,"Pathways":5196,"Selected":0,"Compounds":["100","105","107","110","116","120","123","128","129","13","132","133","138","178","181","185","187","189","192","193","198","217","218","245","249","255","257","271","278","281","284","285","287","288","308","312","318","321","322","330","345","348","351","357","364","368","370","383","384","388","42","444","445","465","48","52","53","55","57","58","59","60","62","68","84","87","89","90","95","96"]},{"ID":"427","Name":"3,6-anhydro-l-galactose","SMILES":"O=C[C@@H](O)[C@@H]1OC[C@H](O)[C@H]1O","Products":61,"Pathways":11389,"Selected":0,"Compounds":["100","105","110","112","116","117","120","123","128","129","13","132","133","138","151","193","245","249","255","257","271","277","278","279","284","285","299","308","312","318","321","322","329","330","336","341","357","358","364","368","370","383","384","388","42","429","445","48","53","55","57","58","59","60","68","84","87","89","90","95","96"]},{"ID":"429","Name":"D-lactate","SMILES":"C[C@@H](O)C(=O)O","Products":1,"Pathways":0,"Selected":0,"Compounds":["104"]},{"ID":"430","Name":"Testosterone","SMILES":"C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O","Products":38,"Pathways":9247,"Selected":0,"Compounds":["100","105","110","123","128","129","13","132","138","14","151","192","218","219","222","245","249","255","257","281","312","318","321","322","330","336","357","358","365","383","384","390","42","445","68","84","87","89"]},{"ID":"432","Name":"Terephthalate","SMILES":"O=C(O)c1ccc(C(=O)O)cc1","Products":1,"Pathways":0,"Selected":0,"Compounds":["118"]},{"ID":"433","Name":"2,6-dihydroxybenzoate","SMILES":"O=C(O)c1c(O)cccc1O","Products":54,"Pathways":416,"Selected":0,"Compounds":["100","105","128","129","132","14","151","172","178","180","181","185","189","192","217","218","227","257","271","278","281","284","287","288","308","312","321","329","341","342","345","348","351","357","365","368","383","384","390","434","444","445","455","465","48","55","57","58","59","60","7","90","95","96"]},{"ID":"434","Name":"Phthalate","SMILES":"O=C(O)c1ccccc1C(=O)O","Products":73,"Pathways":18536,"Selected":0,"Compounds":["100","105","110","112","116","117","120","123","128","129","13","132","133","138","151","172","178","180","185","189","193","218","245","249","255","257","277","279","284","285","287","288","299","318","321","322","329","330","336","341","342","345","354","357","358","364","368","370","383","384","388","417","42","420","422","429","444","445","48","53","55","57","58","59","60","68","7","84","87","89","90","95","96"]}]