{"SMILES":"CCCCCCCCCCCCCCCC(OC[C@]([H])(COP([O-])(OCC[N+](C)(C)C)=O)OC(CCCCCCCCCCCCCCC)=O)=O","CHEMICAL_ID":100000657,"PUBCHEM":"452110","CHEMSPIDER":398235,"HMDB":"HMDB0000564","_row":"1,2-dipalmitoyl-GPC (16:0/16:0)"}
{"SMILES":"O[C@@H]1[C@@H](CO)OC[C@H](O)[C@H]1O","CHEMICAL_ID":100000580,"PUBCHEM":"64960","HMDB":"HMDB0002712","_row":"1,5-anhydroglucitol (1,5-AG)"}
{"SMILES":"O=P(OCC[NH3+])([O-])OC[C@H](O)CO/C=C/CCCCCC/C=C/CCCCCCCC","CHEMICAL_ID":100005372,"_row":"1-(1-enyl-oleoyl)-GPE (P-18:1)*"}
{"SMILES":"O=P(OCC[NH3+])([O-])OC[C@H](O)CO/C=C/CCCCCCCCCCCCCC","CHEMICAL_ID":100003000,"CHEMSPIDER":10471193,"_row":"1-(1-enyl-palmitoyl)-GPE (P-16:0)*"}
{"SMILES":"O=P(OCC[NH3+])([O-])OC[C@H](O)CO/C=C/CCCCCCCCCCCCCCCC","CHEMICAL_ID":100003001,"_row":"1-(1-enyl-stearoyl)-GPE (P-18:0)*"}
{"SMILES":"O=C1N(CCC1)CCCN","CHEMICAL_ID":100003263,"PUBCHEM":"82111","CHEMSPIDER":74106,"_row":"1-(3-aminopropyl)-2-pyrrolidone"}
{"SMILES":"C[N+](C)(C)CCOP(OC[C@@](O)([H])COC(CCC\\C=C/C\\C=C/C/C=C\\C/C=C\\CCCCC)=O)([O-])=O","CHEMICAL_ID":100001551,"CHEMSPIDER":21403155,"HMDB":"HMDB0010395","_row":"1-arachidonoyl-GPC (20:4)*"}
{"SMILES":"NCCOP(OC[C@@](O)([H])COC(CCC\\C=C/C\\C=C/C/C=C\\C/C=C\\CCCCC)=O)(O)=O","CHEMICAL_ID":100001571,"PUBCHEM":"42607465","CHEMSPIDER":21403171,"HMDB":"HMDB0011517","_row":"1-arachidonoyl-GPE (20:4)*"}
{"SMILES":"[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)=O)O)=O)([C@]1(O)[H])[H])O","CHEMICAL_ID":100001654,"HMDB":"HMDB0061690","_row":"1-arachidonoyl-GPI (20:4)*"}
{"SMILES":"O=C(CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)OCC(O)CO","CHEMICAL_ID":100001433,"PUBCHEM":"5282281","CHEMSPIDER":4445452,"HMDB":"HMDB0011572","_row":"1-arachidonylglycerol (20:4)"}
{"SMILES":"O=C(OCC(O)CO)CCCCCCCCC\\C=C/C/C=C\\CCCCC","CHEMICAL_ID":100001483,"CHEMSPIDER":21403143,"_row":"1-dihomo-linoleoylglycerol (20:2)"}
{"SMILES":"NCCOP(OC[C@](O)([H])COC(CC\\C=C/C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC)=O)(O)=O","CHEMICAL_ID":100002060,"_row":"1-docosahexaenoyl-GPE (22:6)*"}
{"SMILES":"O=C(OCC(O)CO)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC","CHEMICAL_ID":100001481,"CHEMSPIDER":10477810,"HMDB":"HMDB0011587","_row":"1-docosahexaenoylglycerol (22:6)"}
{"SMILES":"O=P(OCC(O)COC(CCCCCCC/C=C\\C/C=C\\CCCCC)=O)([O-])OCC[N+](C)(C)C","CHEMICAL_ID":100001395,"PUBCHEM":"11988421","CHEMSPIDER":10160888,"HMDB":"HMDB0010386","_row":"1-linoleoyl-GPC (18:2)"}
{"SMILES":"O=P(OCC(O)COC(CCCCCCC/C=C\\C/C=C\\CCCCC)=O)(O)OCCN","CHEMICAL_ID":100001570,"PUBCHEM":"52925130","CHEMSPIDER":21403170,"HMDB":"HMDB0011507","_row":"1-linoleoyl-GPE (18:2)*"}
{"SMILES":"[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCCCCCC/C=C\\C/C=C\\CCCCC)=O)O)=O)([C@]1(O)[H])[H])O","CHEMICAL_ID":100001778,"_row":"1-linoleoyl-GPI (18:2)*"}
{"SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(OCC(O)CO)=O","CHEMICAL_ID":100001040,"PUBCHEM":"5283469","CHEMSPIDER":4446589,"_row":"1-linoleoylglycerol (18:2)"}
{"SMILES":"CN1C=C(CCN)N=C1","CHEMICAL_ID":100001204,"PUBCHEM":"3614","CHEMSPIDER":3488,"HMDB":"HMDB0000898","_row":"1-methylhistamine"}
{"SMILES":"O=C(O)CC1=CN(C)C=N1","CHEMICAL_ID":100001208,"PUBCHEM":"75810","CHEMSPIDER":68319,"HMDB":"HMDB0002820","_row":"1-methylimidazoleacetate"}
{"SMILES":"C[N+]1=CC(C([NH-])=O)=CC=C1","CHEMICAL_ID":55,"PUBCHEM":"10129985","CHEMSPIDER":8305504,"HMDB":"HMDB0000699","_row":"1-methylnicotinamide"}
{"SMILES":"O[C@H](COC(CCCCCCC/C=C\\CCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O","CHEMICAL_ID":100001272,"PUBCHEM":"16081932","CHEMSPIDER":17240641,"HMDB":"HMDB0002815","_row":"1-oleoyl-GPC (18:1)"}
{"SMILES":"O=P(OCC[NH3+])([O-])OC[C@H](O)COC(CCCCCCC\\C=C/CCCCCCCC)=O","CHEMICAL_ID":100001569,"PUBCHEM":"9547071","CHEMSPIDER":7826021,"HMDB":"HMDB0011506","_row":"1-oleoyl-GPE (18:1)"}
{"SMILES":"O[C@H](COC(CCCCCCC/C=C\\CCCCCCCC)=O)COP(OCC(O)CO)(O)=O","CHEMICAL_ID":100005716,"_row":"1-oleoyl-GPG (18:1)*"}
{"SMILES":"[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCCCCCC/C=C\\CCCCCCCC)=O)O)=O)([C@]1(O)[H])[H])O","CHEMICAL_ID":100001777,"_row":"1-oleoyl-GPI (18:1)*"}
{"SMILES":"CCCCCCCC\\C=C/CCCCCCCC(OC[C@]([H])(COP(O)(OC[C@]([NH3+])(C([O-])=O)[H])=O)O)=O","CHEMICAL_ID":100000630,"PUBCHEM":"9547099","CHEMSPIDER":7826049,"HMDB":"HMDB0061694","_row":"1-oleoyl-GPS (18:1)"}
{"SMILES":"O=C(OCC(O)CO)CCCCCCC/C=C\\CCCCCCCC","CHEMICAL_ID":100000924,"PUBCHEM":"5283468","CHEMSPIDER":4446588,"HMDB":"HMDB0011567","_row":"1-oleoylglycerol (18:1)"}
{"SMILES":"O=P(OCC[N+](C)(C)C)([O-])OCC(O)COC(CCCCCCC/C=C\\CCCCCC)=O","CHEMICAL_ID":100001511,"PUBCHEM":"24779461","CHEMSPIDER":21403152,"HMDB":"HMDB0010383","_row":"1-palmitoleoyl-GPC (16:1)*"}
{"SMILES":"CCCCCCCCCCCCCCCC(OC[C@@]([H])(OC(CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)=O)COP([O-])(OCC[N+](C)(C)C)=O)=O","CHEMICAL_ID":100008914,"PUBCHEM":"10747814","CHEMSPIDER":8923140,"_row":"1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4)"}
{"SMILES":"O=P([O-])(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCC/C=C\\C/C=C\\CCCCC)=O)OCC[N+](C)(C)C","CHEMICAL_ID":1537,"PUBCHEM":"5287971","CHEMSPIDER":4450224,"_row":"1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)*"}
{"SMILES":"O=C(CCCCCCC/C=C\\C/C=C\\CCCCC)O[C@@H](COP(OC1C(O)C(O)C(O)C(O)C1O)(O)=O)COC(CCCCCCCCCCCCCCC)=O","CHEMICAL_ID":1528,"CHEMSPIDER":21403024,"_row":"1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)"}
{"SMILES":"O=C(CCCCCCC/C=C\\CCCCCCCC)O[C@@H](COC(CCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O","CHEMICAL_ID":1539,"PUBCHEM":"6436017","CHEMSPIDER":4940699,"_row":"1-palmitoyl-2-oleoyl-GPC (16:0/18:1)*"}
{"SMILES":"OP(OC[C@H](O)COC(CCCCCCCCCCCCCCC)=O)(O)=O","CHEMICAL_ID":100001445,"PUBCHEM":"6419701","CHEMSPIDER":4925335,"HMDB":"HMDB0007853","_row":"1-palmitoyl-GPA (16:0)"}
{"SMILES":"O=P(OCC[N+](C)(C)C)([O-])OCC(O)COC(CCCCCCCCCCCCCCC)=O","CHEMICAL_ID":100001263,"PUBCHEM":"86554","CHEMSPIDER":78064,"HMDB":"HMDB0010382","_row":"1-palmitoyl-GPC (16:0)"}
{"SMILES":"O=P(OCC[NH3+])([O-])OC[C@H](O)COC(CCCCCCCCCCCCCCC)=O","CHEMICAL_ID":100001567,"PUBCHEM":"9547069","CHEMSPIDER":7826019,"HMDB":"HMDB0011503","_row":"1-palmitoyl-GPE (16:0)"}
{"SMILES":"O=P(OCC(O)CO)(O)OCC(O)COC(CCCCCCCCCCCCCCC)=O","CHEMICAL_ID":100005717,"PUBCHEM":"3300276","CHEMSPIDER":2548639,"_row":"1-palmitoyl-GPG (16:0)*"}
{"SMILES":"[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCCCCCCCCCCCCCC)=O)O)=O)([C@]1(O)[H])[H])O","CHEMICAL_ID":100001655,"HMDB":"HMDB0061695","_row":"1-palmitoyl-GPI (16:0)*"}
{"SMILES":"CCCCCCCCCCCCCCCC(OC[C@]([H])(COP(O)(OC[C@]([NH3+])(C([O-])=O)[H])=O)O)=O","CHEMICAL_ID":100005805,"PUBCHEM":"9547100","CHEMSPIDER":7826050,"_row":"1-palmitoyl-GPS (16:0)*"}
{"SMILES":"O=C(CCCCCCCCCCCCCCC)OCC(O)CO","CHEMICAL_ID":100000827,"PUBCHEM":"14900","CHEMSPIDER":14201,"HMDB":"HMDB0011564","_row":"1-palmitoylglycerol (16:0)"}
{"SMILES":"O=P(OCC[N+](C)(C)C)([O-])OC[C@@H](O)COC(CCCCCCCCCCCCCC)=O","CHEMICAL_ID":100002173,"_row":"1-pentadecanoyl-GPC (15:0)*"}
{"SMILES":"O=C(CCCCCCCCCCCCCC)OCC(O)CO","CHEMICAL_ID":100001431,"PUBCHEM":"190750","CHEMSPIDER":165667,"_row":"1-pentadecanoylglycerol (15:0)"}
{"SMILES":"C[N+](C)(CCOP([O-])(OC[C@@]([H])(COC(CCCCCCCCCCCCCCCCC)=O)OC(CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)=O)=O)C","CHEMICAL_ID":100001869,"PUBCHEM":"16219824","CHEMSPIDER":17347139,"HMDB":"HMDB0008048","_row":"1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)"}
{"SMILES":"O=C(CCCCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCCN)(O)=O)OC(CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)=O","CHEMICAL_ID":100008977,"PUBCHEM":"5289133","CHEMSPIDER":4451158,"HMDB":"HMDB0009003","_row":"1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)"}
{"SMILES":"CCCCCCCCCCCCCCCCCC(OC[C@]([H])(COP(O)(O[C@](C(O)(C(O)(C(O)([C@](O)1[H])[H])[H])[H])([C@]1(O)[H])[H])=O)OC(CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)=O)=O","CHEMICAL_ID":100000616,"CHEMSPIDER":21403055,"HMDB":"HMDB0009815","_row":"1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)"}
{"SMILES":"O=C(CCCCCCCCCCCCCCCCC)OC[C@]([H])(COP(O)(OC[C@]([NH3+])(C([O-])=O)[H])=O)OC(CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)=O","CHEMICAL_ID":100001872,"HMDB":"HMDB0012383","_row":"1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)"}
{"SMILES":"O=C(CCCCCCCCCCCCCCCCC)OC[C@]([H])(COP(OCC[N+](C)(C)C)([O-])=O)OC(CCCCCCC/C=C\\CCCCCCCC)=O","CHEMICAL_ID":100008904,"CHEMSPIDER":24766704,"HMDB":"HMDB0008038","_row":"1-stearoyl-2-oleoyl-GPC (18:0/18:1)"}
{"SMILES":"CCCCCCCCCCCCCCCCCC(OC[C@]([H])(COP(O)(OC[C@]([NH3+])(C([O-])=O)[H])=O)OC(CCCCCCC/C=C\\CCCCCCCC)=O)=O","CHEMICAL_ID":100000639,"PUBCHEM":"9547087","CHEMSPIDER":7826037,"HMDB":"HMDB0010163","_row":"1-stearoyl-2-oleoyl-GPS (18:0/18:1)"}
{"SMILES":"O[C@H](COC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O","CHEMICAL_ID":100001271,"PUBCHEM":"497299","CHEMSPIDER":435389,"HMDB":"HMDB0010384","_row":"1-stearoyl-GPC (18:0)"}
{"SMILES":"O=P(OCC[NH3+])([O-])OC[C@H](O)COC(CCCCCCCCCCCCCCCCC)=O","CHEMICAL_ID":100001461,"PUBCHEM":"9547068","CHEMSPIDER":7826018,"HMDB":"HMDB0011130","_row":"1-stearoyl-GPE (18:0)"}
{"SMILES":"[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCCCCCCCCCCCCCCCC)=O)O)=O)([C@]1(O)[H])[H])O","CHEMICAL_ID":100000656,"CHEMSPIDER":21403067,"HMDB":"HMDB0240261","_row":"1-stearoyl-GPI (18:0)"}
{"SMILES":"O=P(O)(OCC(O)COC(CCCCCCCCCCCCCCCCC)=O)OC[C@@H](C(O)=O)N","CHEMICAL_ID":100004327,"PUBCHEM":"9547101","CHEMSPIDER":7826051,"_row":"1-stearoyl-GPS (18:0)*"}
{"SMILES":"O=C(O)CCCCCCCC/C=C\\CCCCCC","CHEMICAL_ID":100001278,"PUBCHEM":"5312435","CHEMSPIDER":4471860,"HMDB":"HMDB0060038","_row":"10-heptadecenoate (17:1n7)"}
{"SMILES":"O=C(O)CCCCCCCC/C=C\\CCCCCCCC","CHEMICAL_ID":100001277,"PUBCHEM":"5312513","CHEMSPIDER":4471938,"HMDB":"HMDB0013622","_row":"10-nonadecenoate (19:1n9)"}
{"SMILES":"[H][C@]1([H])[C@@](O)([H])[C@](CO)([H])O[C@]1(N2C(N=C(N)C=C2)=O)[H]","CHEMICAL_ID":100000125,"PUBCHEM":"13711","CHEMSPIDER":13117,"HMDB":"HMDB0000014","_row":"2'-deoxycytidine"}
{"SMILES":"OC1=C(N=CN2C(CC3O)OC3CO)C2=NC(N)=N1","CHEMICAL_ID":348,"PUBCHEM":"187790","CHEMSPIDER":163230,"HMDB":"HMDB0000085","_row":"2'-deoxyguanosine"}
{"SMILES":"OC[C@@H]1[C@H](C[C@H](N2C=NC3=C2N=CN=C3O)O1)O","CHEMICAL_ID":100000135,"PUBCHEM":"65058","CHEMSPIDER":58569,"HMDB":"HMDB0000071","_row":"2'-deoxyinosine"}
{"SMILES":"O=C(NC1=O)N(C=C1)C(CC2O)OC2CO","CHEMICAL_ID":536,"PUBCHEM":"13712","CHEMSPIDER":13118,"HMDB":"HMDB0000012","_row":"2'-deoxyuridine"}
{"SMILES":"OC(CCCC(N)C(O)=O)=O","CHEMICAL_ID":381,"PUBCHEM":"469","CHEMSPIDER":456,"HMDB":"HMDB0000510","_row":"2-aminoadipate"}
{"SMILES":"CCCCC\\C=C/C\\C=C/C\\C=C/C/C=C\\CCCC(OC(CO)CO)=O","CHEMICAL_ID":100000584,"PUBCHEM":"5282280","CHEMSPIDER":4445451,"HMDB":"HMDB0004666","_row":"2-arachidonoylglycerol (20:4)"}
{"SMILES":"O=C(OC(CO)CO)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC","CHEMICAL_ID":100006352,"CHEMSPIDER":24765781,"HMDB":"HMDB0011557","_row":"2-docosahexaenoylglcyerol*"}
{"SMILES":"O=C(C(C(CC)C)O)O","CHEMICAL_ID":100001541,"PUBCHEM":"164623","CHEMSPIDER":144317,"HMDB":"HMDB0000317","_row":"2-hydroxy-3-methylvalerate"}
{"SMILES":"O=C(O)CCC(O)C(O)=O","CHEMICAL_ID":100002070,"PUBCHEM":"43","CHEMSPIDER":42,"HMDB":"HMDB0000606","_row":"2-hydroxyglutarate"}
{"SMILES":"O=C(O)C(O)CCCCCCCCCCCCCC","CHEMICAL_ID":100001579,"PUBCHEM":"92836","CHEMSPIDER":83805,"HMDB":"HMDB0031057","_row":"2-hydroxypalmitate"}
{"SMILES":"OC([C@H](O)CCCCCCCCCCCCCCCC)=O","CHEMICAL_ID":1239,"PUBCHEM":"69417","CHEMSPIDER":62625,"_row":"2-hydroxystearate"}
{"SMILES":"O=C(OC(CO)CO)CCCCCCC/C=C\\C/C=C\\CCCCC","CHEMICAL_ID":100000987,"PUBCHEM":"5365676","CHEMSPIDER":4517636,"HMDB":"HMDB0011538","_row":"2-linoleoylglycerol (18:2)"}
{"SMILES":"CCC(C)C(OC(CC([O-])=O)C[N+](C)(C)C)=O","CHEMICAL_ID":100001509,"PUBCHEM":"6426901","CHEMSPIDER":4932320,"HMDB":"HMDB0000378","_row":"2-methylbutyrylcarnitine (C5)"}
{"SMILES":"O=C(O)CNC(C(C)CC)=O","CHEMICAL_ID":100001155,"PUBCHEM":"193872","CHEMSPIDER":168243,"HMDB":"HMDB0000339","_row":"2-methylbutyrylglycine"}
{"SMILES":"O=C(OC(CO)CO)CCCCCCC/C=C\\CCCCCCCC","CHEMICAL_ID":100000943,"PUBCHEM":"5319879","CHEMSPIDER":4478086,"HMDB":"HMDB0011537","_row":"2-oleoylglycerol (18:1)"}
{"SMILES":"OC[C@](OC(CCCCCCCCCCCCCCC)=O)([H])COP(OCC[N+](C)(C)C)([O-])=O","CHEMICAL_ID":100001562,"PUBCHEM":"15061532","CHEMSPIDER":21403165,"HMDB":"HMDB0240262","_row":"2-palmitoyl-GPC (16:0)*"}
{"SMILES":"OCC(CO)OC(CCCCCCCCCCCCCCC)=O","CHEMICAL_ID":100001048,"PUBCHEM":"123409","CHEMSPIDER":110006,"HMDB":"HMDB0011533","_row":"2-palmitoylglycerol (16:0)"}
{"SMILES":"OC[C@H](OC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O","CHEMICAL_ID":100001555,"PUBCHEM":"10208382","CHEMSPIDER":8383879,"_row":"2-stearoyl-GPC (18:0)*"}
{"SMILES":"OC[C@@H](OC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[NH3+])([O-])=O","CHEMICAL_ID":100003901,"CHEMSPIDER":24769218,"HMDB":"HMDB0011129","_row":"2-stearoyl-GPE (18:0)*"}
{"SMILES":"OC(C(O)=O)CC1=CC=C(O)C=C1","CHEMICAL_ID":240,"PUBCHEM":"9378","CHEMSPIDER":9010,"HMDB":"HMDB0000755","_row":"3-(4-hydroxyphenyl)lactate"}
{"SMILES":"CC(CC(O)=O)(CC(O)=O)O","CHEMICAL_ID":112,"PUBCHEM":"1662","CHEMSPIDER":4573695,"HMDB":"HMDB0000355","_row":"3-hydroxy-3-methylglutarate"}
{"SMILES":"CC(O)CC(O)=O","CHEMICAL_ID":254,"PUBCHEM":"441","CHEMSPIDER":428,"HMDB":"HMDB0000011","_row":"3-hydroxybutyrate (BHBA)"}
{"SMILES":"CC(C(O)=O)CO","CHEMICAL_ID":111,"PUBCHEM":"87","CHEMSPIDER":10140307,"HMDB":"HMDB0000336","_row":"3-hydroxyisobutyrate"}
{"SMILES":"O=S(OC2=CNC1=CC=CC=C12)(O)=O","CHEMICAL_ID":100000467,"PUBCHEM":"10258","CHEMSPIDER":9840,"HMDB":"HMDB0000682","_row":"3-indoxyl sulfate"}
{"SMILES":"CCC(C)C(C(O)=O)=O","CHEMICAL_ID":100000036,"PUBCHEM":"47","CHEMSPIDER":46,"HMDB":"HMDB0000491","_row":"3-methyl-2-oxovalerate"}
{"SMILES":"OC(C(O)=O)COP(O)(O)=O","CHEMICAL_ID":132,"PUBCHEM":"724","CHEMSPIDER":10669764,"HMDB":"HMDB0000807","_row":"3-phosphoglycerate"}
{"SMILES":"OC(CCNC(N)=O)=O","CHEMICAL_ID":1053,"PUBCHEM":"111","CHEMSPIDER":109,"HMDB":"HMDB0000026","_row":"3-ureidopropionate"}
{"SMILES":"OC1=CC=C(CC(C(O)=O)=O)C=C1","CHEMICAL_ID":1141,"PUBCHEM":"979","CHEMSPIDER":954,"HMDB":"HMDB0000707","_row":"4-hydroxyphenylpyruvate"}
{"SMILES":"CC(C)CC(C(O)=O)=O","CHEMICAL_ID":100000551,"PUBCHEM":"70","CHEMSPIDER":69,"HMDB":"HMDB0000695","_row":"4-methyl-2-oxopentanoate"}
{"SMILES":"O=S(OC1=CC=C(C=C)C=C1)(O)=O","CHEMICAL_ID":100001755,"PUBCHEM":"6426766","CHEMSPIDER":4932200,"HMDB":"HMDB0004072","_row":"4-vinylphenol sulfate"}
{"SMILES":"O=C(CCN1)NC1=O","CHEMICAL_ID":1125,"PUBCHEM":"649","CHEMSPIDER":629,"HMDB":"HMDB0000076","_row":"5,6-dihydrouracil"}
{"SMILES":"O[C@H]1C[C@H](N2C=C(C)C(N)=NC2=O)O[C@@H]1CO","CHEMICAL_ID":100002300,"PUBCHEM":"440055","CHEMSPIDER":389065,"HMDB":"HMDB0002224","_row":"5-methyl-2'-deoxycytidine"}
{"SMILES":"O[C@H]1[C@@H](O)[C@H](N2C(N=C(N)C(C)=C2)=O)O[C@@H]1CO","CHEMICAL_ID":100000763,"PUBCHEM":"92918","CHEMSPIDER":83877,"HMDB":"HMDB0000982","_row":"5-methylcytidine"}
{"SMILES":"CN1C(C2=O)=C(NC(N)=N2)NCC1CNC3=CC=C(C(NC(C(O)=O)CCC(O)=O)=O)C=C3","CHEMICAL_ID":1244,"PUBCHEM":"146","CHEMSPIDER":143,"HMDB":"HMDB0001396","_row":"5-methyltetrahydrofolate (5MeTHF)"}
{"SMILES":"NC1=NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](O)[C@@H](CSC)O3","CHEMICAL_ID":212,"PUBCHEM":"439176","CHEMSPIDER":388321,"HMDB":"HMDB0001173","_row":"5-methylthioadenosine (MTA)"}
{"SMILES":"O=C1CC[C@@H]([C@@](O)=O)N1","CHEMICAL_ID":1021,"PUBCHEM":"7405","CHEMSPIDER":7127,"HMDB":"HMDB0000267","_row":"5-oxoproline"}
{"SMILES":"O=C1C(N2C)=C(N=C2)N=C(N)N1","CHEMICAL_ID":100001456,"PUBCHEM":"11361","CHEMSPIDER":10883,"HMDB":"HMDB0000897","_row":"7-methylguanine"}
{"SMILES":"C[N+](C)(C)C[C@H](OC(C)=O)CC([O-])=O","CHEMICAL_ID":100000802,"PUBCHEM":"1","CHEMSPIDER":5406074,"HMDB":"HMDB0000201","_row":"acetylcarnitine"}
{"SMILES":"C[N+](C)(C)[CH-]COC(C)=O","CHEMICAL_ID":1749,"HMDB":"HMDB0000895","_row":"acetylcholine"}
{"SMILES":"NC1=NC=NC2=C1N=CN2","CHEMICAL_ID":880,"PUBCHEM":"190","CHEMSPIDER":185,"HMDB":"HMDB0000034","_row":"adenine"}
{"SMILES":"NC1=NC=NC2=C1N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3","CHEMICAL_ID":798,"PUBCHEM":"60961","CHEMSPIDER":54923,"HMDB":"HMDB0000050","_row":"adenosine"}
{"SMILES":"NC1=NC=NC2=C1N=CN2[C@@]3([H])[C@@](OP(O)(O)=O)([H])[C@@](O)([H])[C@](CO)([H])O3","CHEMICAL_ID":100001694,"PUBCHEM":"94136","HMDB":"HMDB0011617","_row":"adenosine 2'-monophosphate (2'-AMP)"}
{"SMILES":"NC1=NC=NC2=C1N=CN2C3OC(CO4)C(OP4(O)=O)C3O","CHEMICAL_ID":207,"PUBCHEM":"6076","CHEMSPIDER":268,"HMDB":"HMDB0000058","_row":"adenosine 3',5'-cyclic monophosphate (cAMP)"}
{"SMILES":"NC1=NC=NC2=C1N=CN2[C@@]([C@@]([C@@]3(OP(O)(O)=O)[H])(O)[H])(O[C@](CO)3[H])[H]","CHEMICAL_ID":100001449,"PUBCHEM":"41211","CHEMSPIDER":10463793,"HMDB":"HMDB0003540","_row":"adenosine 3'-monophosphate (3'-AMP)"}
{"SMILES":"NC1=NC=NC2=C1N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](COP(OP(O)(O)=O)(O)=O)([H])O3","CHEMICAL_ID":208,"PUBCHEM":"6022","CHEMSPIDER":5800,"HMDB":"HMDB0001341","_row":"adenosine 5'-diphosphate (ADP)"}
{"SMILES":"NC1=NC=NC2=C1N=CN2C3OC(C(C3O)O)COP(O)(OP(O)(OC4OC(C(C4O)O)CO)=O)=O","CHEMICAL_ID":215,"PUBCHEM":"192","CHEMSPIDER":3674071,"HMDB":"HMDB0001178","_row":"adenosine 5'-diphosphoribose (ADP-ribose)"}
{"SMILES":"NC1=NC=NC2=C1N=CN2C3OC(C(C3O)O)COP(O)(O)=O","CHEMICAL_ID":209,"PUBCHEM":"6083","CHEMSPIDER":10239183,"HMDB":"HMDB0000045","_row":"adenosine 5'-monophosphate (AMP)"}
{"SMILES":"OC(C1O)C(OC1COP(O)(O)=O)N2C(N=CN=C3NC(C(O)=O)CC(O)=O)=C3N=C2","CHEMICAL_ID":1303,"PUBCHEM":"195","CHEMSPIDER":190,"HMDB":"HMDB0000536","_row":"adenylosuccinate"}
{"SMILES":"O=C(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)O","CHEMICAL_ID":100001193,"PUBCHEM":"5497181","CHEMSPIDER":4445971,"HMDB":"HMDB0002226","_row":"adrenate (22:4n6)"}
{"SMILES":"O=C(O)[C@@H](N)C","CHEMICAL_ID":811,"PUBCHEM":"5950","CHEMSPIDER":5735,"HMDB":"HMDB0000161","_row":"alanine"}
{"SMILES":"NC(C)C(NC(CC(C)C)C(O)=O)=O","CHEMICAL_ID":100001890,"PUBCHEM":"259583","CHEMSPIDER":227831,"HMDB":"HMDB0028691","_row":"alanylleucine"}
{"SMILES":"O=C(N1)C(NC(N)=O)NC1=O","CHEMICAL_ID":1002,"PUBCHEM":"204","CHEMSPIDER":199,"HMDB":"HMDB0000462","_row":"allantoin"}
{"SMILES":"OC(C(O)=O)C(C)C","CHEMICAL_ID":100001300,"PUBCHEM":"99823","CHEMSPIDER":90190,"HMDB":"HMDB0000407","_row":"alpha-hydroxyisovalerate"}
{"SMILES":"[O-]C(CC(C[N+](C)(C)C)OC(C(O)C(C)C)=O)=O","CHEMICAL_ID":100005836,"_row":"alpha-hydroxyisovaleroyl carnitine*"}
{"SMILES":"O=C(C(O)=O)CCC(O)=O","CHEMICAL_ID":93,"PUBCHEM":"51","CHEMSPIDER":50,"HMDB":"HMDB0000208","_row":"alpha-ketoglutarate"}
{"SMILES":"CN1C=NC=C1C[C@@H]([C@@](O)=O)NC(CCN)=O","CHEMICAL_ID":100000044,"PUBCHEM":"112072","CHEMSPIDER":100482,"HMDB":"HMDB0000194","_row":"anserine"}
{"SMILES":"CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(O)=O","CHEMICAL_ID":229,"PUBCHEM":"444899","CHEMSPIDER":392692,"HMDB":"HMDB0001043","_row":"arachidonate (20:4n6)"}
{"SMILES":"N=C(N)NCCCC(N)C(O)=O","CHEMICAL_ID":231,"PUBCHEM":"232","CHEMSPIDER":227,"HMDB":"HMDB0000517","_row":"arginine"}
{"SMILES":"OCC(O)C1OC(C(O)=C1O)=O","CHEMICAL_ID":233,"CHEMSPIDER":10189562,"HMDB":"HMDB0000044","_row":"ascorbate (Vitamin C)"}
{"SMILES":"NC(C[C@H](N)C(O)=O)=O","CHEMICAL_ID":917,"PUBCHEM":"6267","CHEMSPIDER":6031,"HMDB":"HMDB0000168","_row":"asparagine"}
{"SMILES":"NC(C(O)=O)CC(O)=O","CHEMICAL_ID":234,"PUBCHEM":"5960","CHEMSPIDER":5745,"HMDB":"HMDB0000191","_row":"aspartate"}
{"SMILES":"O=C(O)CCCCCCCC(O)=O","CHEMICAL_ID":2029,"PUBCHEM":"2266","CHEMSPIDER":2179,"HMDB":"HMDB0000784","_row":"azelate (nonanedioate)"}
{"SMILES":"OC(C1=CC=CC=C1)=O","CHEMICAL_ID":100000008,"PUBCHEM":"243","CHEMSPIDER":238,"HMDB":"HMDB0001870","_row":"benzoate"}
{"SMILES":"CC(C)(O)CC(O)=O","CHEMICAL_ID":1442,"PUBCHEM":"69362","CHEMSPIDER":62571,"HMDB":"HMDB0000754","_row":"beta-hydroxyisovalerate"}
{"SMILES":"[O-]C(CC(C[N+](C)(C)C)OC(CC(O)(C)C)=O)=O","CHEMICAL_ID":100001594,"CHEMSPIDER":21403176,"_row":"beta-hydroxyisovaleroylcarnitine"}
{"SMILES":"O=C(C[N+](C)(C)C)[O-]","CHEMICAL_ID":799,"PUBCHEM":"247","CHEMSPIDER":24219951173,"HMDB":"HMDB0000043","_row":"betaine"}
{"SMILES":"C[N+](C)(C)[CH-]C([H])=O","CHEMICAL_ID":1219,"PUBCHEM":"249","CHEMSPIDER":244,"HMDB":"HMDB0001252","_row":"betaine aldehyde"}
{"SMILES":"O=C1C2=NC([C@H](O)[C@H](O)C)=CNC2=NC(N)=N1","CHEMICAL_ID":1548,"PUBCHEM":"445040","CHEMSPIDER":392795,"HMDB":"HMDB0000468","_row":"biopterin"}
{"SMILES":"CCCC(O[C@H](CC([O-])=O)C[N+](C)(C)C)=O","CHEMICAL_ID":100001054,"PUBCHEM":"439829","CHEMSPIDER":184820,"HMDB":"HMDB0002013","_row":"butyrylcarnitine"}
{"SMILES":"O=C(CNC(CCC)=O)O","CHEMICAL_ID":100001151,"PUBCHEM":"88412","CHEMSPIDER":79766,"HMDB":"HMDB0000808","_row":"butyrylglycine"}
{"SMILES":"N[C@H](C(O)=O)CC1=C([C@H]([C@H]([C@@H](O)[C@@H]2O)O)O[C@@H]2CO)NC3=CC=CC=C13","CHEMICAL_ID":100006379,"PUBCHEM":"10981970","CHEMSPIDER":9157171,"_row":"C-glycosyltryptophan"}
{"SMILES":"[O-]C(C[C@@H](O)C[N+](C)(C)C)=O","CHEMICAL_ID":100000007,"PUBCHEM":"10917","CHEMSPIDER":10455,"HMDB":"HMDB0000062","_row":"carnitine"}
{"SMILES":"OC([C@H](CC1=CNC=N1)NC(CCN)=O)=O","CHEMICAL_ID":249,"PUBCHEM":"439224","CHEMSPIDER":388363,"HMDB":"HMDB0000033","_row":"carnosine"}
{"SMILES":"[O-]CC[N+](C)(C)C","CHEMICAL_ID":1256,"PUBCHEM":"305","CHEMSPIDER":149278,"HMDB":"HMDB0000097","_row":"choline"}
{"SMILES":"C[N+](C)(CCOP(O)([O-])=O)C","CHEMICAL_ID":267,"PUBCHEM":"1014","CHEMSPIDER":119298,"HMDB":"HMDB0001565","_row":"choline phosphate"}
{"SMILES":"O=C([O-])CC(OC(CC/C=C\\CCCCC)=O)C[N+](C)(C)C","CHEMICAL_ID":100002259,"_row":"cis-4-decenoyl carnitine"}
{"SMILES":"OC(CC(CC(O)=O)(O)C(O)=O)=O","CHEMICAL_ID":1124,"PUBCHEM":"311","CHEMSPIDER":305,"HMDB":"HMDB0000094","_row":"citrate"}
{"SMILES":"NC(C(O)=O)CCCNC(N)=O","CHEMICAL_ID":391,"PUBCHEM":"9750","CHEMSPIDER":810,"HMDB":"HMDB0000904","_row":"citrulline"}
{"SMILES":"CC(COP(O)(OP(O)(OCC1OC(N2C=NC3=C2N=CN=C3N)C(C1OP(O)(O)=O)O)=O)=O)(C(C(NCCC(NCCS)=O)=O)O)C","CHEMICAL_ID":270,"PUBCHEM":"317","CHEMSPIDER":311,"HMDB":"HMDB0001423","_row":"coenzyme A"}
{"SMILES":"CN(C(N)=N)CC(O)=O","CHEMICAL_ID":1221,"PUBCHEM":"586","CHEMSPIDER":566,"HMDB":"HMDB0000064","_row":"creatine"}
{"SMILES":"N=C(N(C)CC(O)=O)NP(O)(O)=O","CHEMICAL_ID":100000112,"PUBCHEM":"587","CHEMSPIDER":567,"HMDB":"HMDB0001511","_row":"creatine phosphate"}
{"SMILES":"CN(C(N1)=N)CC1=O","CHEMICAL_ID":275,"PUBCHEM":"588","CHEMSPIDER":568,"HMDB":"HMDB0000562","_row":"creatinine"}
{"SMILES":"O=C([C@H](CC1=CN=CN1)NC2=O)N3[C@@]2([H])CCC3","CHEMICAL_ID":100002745,"PUBCHEM":"449094","CHEMSPIDER":395717,"_row":"cyclo(his-pro)"}
{"SMILES":"O=C(NCC(O)=O)C(N)CSSCC(N)C(NCC(O)=O)=O","CHEMICAL_ID":1224,"PUBCHEM":"333293","CHEMSPIDER":295316,"_row":"cys-gly, oxidized"}
{"SMILES":"OC(C(CCSCC(N)C(O)=O)N)=O","CHEMICAL_ID":310,"PUBCHEM":"439258","CHEMSPIDER":811,"HMDB":"HMDB0000099","_row":"cystathionine"}
{"SMILES":"SC[C@H](N)C(O)=O","CHEMICAL_ID":800,"PUBCHEM":"5862","CHEMSPIDER":5653,"HMDB":"HMDB0000574","_row":"cysteine"}
{"SMILES":"NC(C(O)=O)CCC(NC(CSSCC(N)C(O)=O)C(NCC(O)=O)=O)=O","CHEMICAL_ID":100001437,"PUBCHEM":"4247235","CHEMSPIDER":3455404,"HMDB":"HMDB0000656","_row":"cysteine-glutathione disulfide"}
{"SMILES":"NC(C(NCC(O)=O)=O)CS","CHEMICAL_ID":278,"PUBCHEM":"439498","CHEMSPIDER":58762,"HMDB":"HMDB0000078","_row":"cysteinylglycine"}
{"SMILES":"NC(C(O)=O)CSSCC(N)C(O)=O","CHEMICAL_ID":279,"PUBCHEM":"67678","CHEMSPIDER":575,"HMDB":"HMDB0000192","_row":"cystine"}
{"SMILES":"OC[C@@H]1[C@H]([C@H]([C@H](N2C(N=C(C=C2)N)=O)O1)O)O","CHEMICAL_ID":827,"PUBCHEM":"6175","CHEMSPIDER":5940,"HMDB":"HMDB0000089","_row":"cytidine"}
{"SMILES":"NC1=NC(N(C2OC(C3OP(O)(OC23)=O)CO)C=C1)=O","CHEMICAL_ID":73,"PUBCHEM":"417654","CHEMSPIDER":369711,"HMDB":"HMDB0011691","_row":"cytidine 2',3'-cyclic monophosphate"}
{"SMILES":"NC1=NC(N(C2OC(C(C2O)OP(O)(O)=O)CO)C=C1)=O","CHEMICAL_ID":105,"PUBCHEM":"66535","CHEMSPIDER":225079,"_row":"cytidine 3'-monophosphate (3'-CMP)"}
{"SMILES":"O[C@]([C@@]1(O)[H])([C@](O[C@](COP(OP(OCC[N+](C)(C)C)(O)=O)([O-])=O)1[H])([H])N2C=CC(N)=NC2=O)[H]","CHEMICAL_ID":1220,"PUBCHEM":"13804","CHEMSPIDER":21531769,"HMDB":"HMDB0001413","_row":"cytidine 5'-diphosphocholine"}
{"SMILES":"NC1=NC(N(C2OC(C(C2O)O)COP(O)(O)=O)C=C1)=O","CHEMICAL_ID":282,"PUBCHEM":"6131","CHEMSPIDER":5414497,"HMDB":"HMDB0000095","_row":"cytidine 5'-monophosphate (5'-CMP)"}
{"SMILES":"O[C@@]([C@]1(OP(OC[C@H]2O[C@@H](N(C=CC(N)=N3)C3=O)[C@H](O)[C@@H]2O)(O)=O)O[C@H]([C@@H](O)[C@@H](O)CO)[C@@H](NC(C)=O)[C@H](O)C1)=O","CHEMICAL_ID":1223,"PUBCHEM":"448209","HMDB":"HMDB0001176","_row":"cytidine 5'-monophospho-N-acetylneuraminic acid"}
{"SMILES":"OC1C(N(C=CC(N)=N2)C2=O)OC(COP(OP(OCCN)(O)=O)(O)=O)C1O","CHEMICAL_ID":100001407,"PUBCHEM":"123727","CHEMSPIDER":287,"HMDB":"HMDB0001564","_row":"cytidine-5'-diphosphoethanolamine"}
{"SMILES":"[O-]C(CC(C[N+](C)(C)C)OC(CCCCCCCCC)=O)=O","CHEMICAL_ID":100001251,"PUBCHEM":"10245190","CHEMSPIDER":8420677,"HMDB":"HMDB0000651","_row":"decanoylcarnitine"}
{"SMILES":"OCC(C1OC(C(C1=O)=O)=O)O","CHEMICAL_ID":301,"PUBCHEM":"835","CHEMSPIDER":812,"HMDB":"HMDB0001264","_row":"dehydroascorbate"}
{"SMILES":"C[N+](C)(C)CCCC([O-])=O","CHEMICAL_ID":100001662,"PUBCHEM":"134","CHEMSPIDER":705,"HMDB":"HMDB0001161","_row":"deoxycarnitine"}
{"SMILES":"O=C(O)CCCCCCCCC/C=C\\C/C=C\\CCCCC","CHEMICAL_ID":1231,"PUBCHEM":"6439848","CHEMSPIDER":4944228,"HMDB":"HMDB0005060","_row":"dihomo-linoleate (20:2n6)"}
{"SMILES":"CC\\C=C/C\\C=C/C\\C=C/CCCCCCCCCC(O)=O","CHEMICAL_ID":100001739,"PUBCHEM":"5280581","CHEMSPIDER":4471954,"HMDB":"HMDB0002925","_row":"dihomo-linolenate (20:3n3 or n6)"}
{"SMILES":"O=C1C(C(NC2)=NC(N)=N1)=NC2C(O)C(O)C","CHEMICAL_ID":100001506,"PUBCHEM":"1879","CHEMSPIDER":1808,"HMDB":"HMDB0000038","_row":"dihydrobiopterin"}
{"SMILES":"N[C@@H](CCCNC(N(C)C)=N)C(O)=O","CHEMICAL_ID":100001810,"PUBCHEM":"123831","CHEMSPIDER":110375,"HMDB":"HMDB0001539","_row":"dimethylarginine (SDMA + ADMA)"}
{"SMILES":"CCCCC/C=C/C/C=C/CCCCCCCCCCCC(O)=O","CHEMICAL_ID":100001182,"PUBCHEM":"5282807","CHEMSPIDER":4445934,"HMDB":"HMDB0061714","_row":"docosadienoate (22:2n6)"}
{"SMILES":"CC\\C=C/C\\C=C/C\\C=C/C/C=C\\C/C=C\\C/C=C\\CCC(O)=O","CHEMICAL_ID":100000665,"PUBCHEM":"445580","CHEMSPIDER":393183,"HMDB":"HMDB0002183","_row":"docosahexaenoate (DHA; 22:6n3)"}
{"SMILES":"O=C(O)CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC","CHEMICAL_ID":100001181,"PUBCHEM":"6441454","HMDB":"HMDB0006528","_row":"docosapentaenoate (n3 DPA; 22:5n3)"}
{"SMILES":"OC(CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)=O","CHEMICAL_ID":100001580,"PUBCHEM":"6441454","CHEMSPIDER":4945614,"HMDB":"HMDB0001976","_row":"docosapentaenoate (n6 DPA; 22:5n6)"}
{"SMILES":"CC/C=C/C/C=C/C/C=C/CCCCCCCCCCCC(O)=O","CHEMICAL_ID":100001195,"PUBCHEM":"5312556","CHEMSPIDER":4471981,"HMDB":"HMDB0002823","_row":"docosatrienoate (22:3n3)"}
{"SMILES":"O=C(O)CCC\\C=C/C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC","CHEMICAL_ID":2050,"PUBCHEM":"446284","CHEMSPIDER":393682,"HMDB":"HMDB0001999","_row":"eicosapentaenoate (EPA; 20:5n3)"}
{"SMILES":"O=C(O)CCCCCCCCC/C=C\\CCCCCCCC","CHEMICAL_ID":100001335,"PUBCHEM":"5282768","CHEMSPIDER":4445895,"HMDB":"HMDB0002231","_row":"eicosenoate (20:1)"}
{"SMILES":"S=C1NC(CC(C([O-])=O)[N+](C)(C)C)=CN1","CHEMICAL_ID":100002154,"PUBCHEM":"3032311","CHEMSPIDER":2297320,"HMDB":"HMDB0003045","_row":"ergothioneine"}
{"SMILES":"OC(CCCCCCCCCCC\\C=C/CCCCCCCC)=O","CHEMICAL_ID":1087,"PUBCHEM":"5281116","CHEMSPIDER":7924,"HMDB":"HMDB0002068","_row":"erucate (22:1n9)"}
{"SMILES":"OCC(O)C(CO)O","CHEMICAL_ID":100000846,"PUBCHEM":"222285","CHEMSPIDER":13835932,"HMDB":"HMDB0002994","_row":"erythritol"}
{"SMILES":"OC[C@@H](O)[C@@H](O)C(O)=O","CHEMICAL_ID":100001320,"PUBCHEM":"2781043","CHEMSPIDER":2061231,"HMDB":"HMDB0000613","_row":"erythronate*"}
{"SMILES":"CCC(C(O)=O)C(O)=O","CHEMICAL_ID":2054,"PUBCHEM":"11756","CHEMSPIDER":11263,"HMDB":"HMDB0000622","_row":"ethylmalonate"}
{"SMILES":"OC(C(O)C(O)COP(OP(OC[C@H]1O[C@@H](N(C=N2)C3=C2C(N)=NC=N3)[C@H](O)[C@@H]1O)(O)=O)(O)=O)CN(C(C=C(C)C(C)=C4)=C4N=C5C(N6)=O)C5=NC6=O","CHEMICAL_ID":327,"PUBCHEM":"643975","CHEMSPIDER":559059,"HMDB":"HMDB0001248","_row":"flavin adenine dinucleotide (FAD)"}
{"SMILES":"CC1=C(C)C=C(N(CC(O)C(C(COP(O)(O)=O)O)O)C(C2=N3)=NC(NC2=O)=O)C3=C1","CHEMICAL_ID":100000251,"PUBCHEM":"710","CHEMSPIDER":690,"HMDB":"HMDB0001520","_row":"flavin mononucleotide (FMN)"}
{"SMILES":"OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O","CHEMICAL_ID":878,"PUBCHEM":"5984","CHEMSPIDER":5764,"HMDB":"HMDB0000660","_row":"fructose"}
{"SMILES":"O=P(O)(O)OCC1OC(CO)(O)C(O)C1O","CHEMICAL_ID":1232,"PUBCHEM":"69507","CHEMSPIDER":19969987,"HMDB":"HMDB0000124","_row":"fructose-6-phosphate"}
{"SMILES":"OC(/C=C/C(O)=O)=O","CHEMICAL_ID":330,"PUBCHEM":"444972","CHEMSPIDER":10197150,"HMDB":"HMDB0000134","_row":"fumarate"}
{"SMILES":"O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)CO","CHEMICAL_ID":1003,"PUBCHEM":"11850","CHEMSPIDER":11357,"HMDB":"HMDB0000107","_row":"galactitol (dulcitol)"}
{"SMILES":"C[C@H](NC(CC[C@H](N)C(O)=O)=O)C(O)=O","CHEMICAL_ID":100001843,"PUBCHEM":"440103","CHEMSPIDER":389104,"HMDB":"HMDB0006248","_row":"gamma-glutamylalanine"}
{"SMILES":"O=C(O)C(CS)NC(CCC(N)C(O)=O)=O","CHEMICAL_ID":1036,"PUBCHEM":"842","CHEMSPIDER":819,"HMDB":"HMDB0001049","_row":"gamma-glutamylcysteine"}
{"SMILES":"O=C(O)C(N)CCC(NC(C(O)=O)CCC(O)=O)=O","CHEMICAL_ID":331,"PUBCHEM":"92865","CHEMSPIDER":83831,"HMDB":"HMDB0011737","_row":"gamma-glutamylglutamate"}
{"SMILES":"O=C(N)CC[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O","CHEMICAL_ID":1140,"PUBCHEM":"150914","CHEMSPIDER":133013,"HMDB":"HMDB0011738","_row":"gamma-glutamylglutamine"}
{"SMILES":"O=C(O)[C@@H](N)CCC(NCC(O)=O)=O","CHEMICAL_ID":100001294,"PUBCHEM":"165527","CHEMSPIDER":145071,"HMDB":"HMDB0011667","_row":"gamma-glutamylglycine"}
{"SMILES":"CC(C)C[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O","CHEMICAL_ID":1268,"PUBCHEM":"151023","CHEMSPIDER":133115,"HMDB":"HMDB0011171","_row":"gamma-glutamylleucine"}
{"SMILES":"O=C(O)[C@H](CCSC)NC(CC[C@@H](C(O)=O)N)=O","CHEMICAL_ID":100001313,"PUBCHEM":"7009567","CHEMSPIDER":5373147,"HMDB":"HMDB0034367","_row":"gamma-glutamylmethionine"}
{"SMILES":"O=C(O)[C@H](CC1=CC=CC=C1)NC(CC[C@@H](C(O)=O)N)=O","CHEMICAL_ID":100000491,"PUBCHEM":"111299","CHEMSPIDER":99868,"HMDB":"HMDB0000594","_row":"gamma-glutamylphenylalanine"}
{"SMILES":"CC(O)[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O","CHEMICAL_ID":100001314,"CHEMSPIDER":21403107,"HMDB":"HMDB0029159","_row":"gamma-glutamylthreonine*"}
{"SMILES":"OC(C=C1)=CC=C1C[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O","CHEMICAL_ID":1102,"PUBCHEM":"94340","CHEMSPIDER":85142,"HMDB":"HMDB0011741","_row":"gamma-glutamyltyrosine"}
{"SMILES":"O=C(N[C@H]([C@@](O)=O)C(C)C)CC[C@@H]([C@](O)=O)N","CHEMICAL_ID":100001126,"PUBCHEM":"7015683","HMDB":"HMDB0011172","_row":"gamma-glutamylvaline"}
{"SMILES":"OC([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)=O","CHEMICAL_ID":338,"PUBCHEM":"10690","CHEMSPIDER":10240,"HMDB":"HMDB0000625","_row":"gluconate"}
{"SMILES":"NC1C(OC(C(C1O)O)COP(O)(O)=O)O","CHEMICAL_ID":290,"PUBCHEM":"439217","CHEMSPIDER":8013767,"HMDB":"HMDB0001254","_row":"glucosamine-6-phosphate"}
{"SMILES":"O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","CHEMICAL_ID":572,"PUBCHEM":"79025","CHEMSPIDER":71358,"HMDB":"HMDB0000122","_row":"glucose"}
{"SMILES":"OC1OC(C(C(C1O)O)O)COP(O)(O)=O","CHEMICAL_ID":291,"PUBCHEM":"5958","CHEMSPIDER":19952394,"HMDB":"HMDB0001401","_row":"glucose 6-phosphate"}
{"SMILES":"O[C@@H]1O[C@H]([C@](O)=O)[C@@H](O)[C@H](O)[C@H]1O","CHEMICAL_ID":100000257,"PUBCHEM":"444791","CHEMSPIDER":58552,"HMDB":"HMDB0000127","_row":"glucuronate"}
{"SMILES":"O=C(O)[C@@H](N)CCC(O)=O","CHEMICAL_ID":561,"PUBCHEM":"611","CHEMSPIDER":591,"HMDB":"HMDB0000148","_row":"glutamate"}
{"SMILES":"O=C(CCC(C(O)=O)N)OC","CHEMICAL_ID":100001103,"PUBCHEM":"68662","CHEMSPIDER":66546,"HMDB":"HMDB0061715","_row":"glutamate, gamma-methyl ester"}
{"SMILES":"OC([C@@H](N)CCC(N)=O)=O","CHEMICAL_ID":563,"PUBCHEM":"5961","CHEMSPIDER":5746,"HMDB":"HMDB0000641","_row":"glutamine"}
{"SMILES":"O=C(O)C(NC(C(N)CCC(N)=O)=O)CC(C)C","CHEMICAL_ID":100003160,"CHEMSPIDER":16568303,"_row":"glutamine-leucine"}
{"SMILES":"OC(CCCC(O)=O)=O","CHEMICAL_ID":339,"PUBCHEM":"743","CHEMSPIDER":3618533,"HMDB":"HMDB0000661","_row":"glutarate (pentanedioate)"}
{"SMILES":"[O-]C(CC(C[N+](C)(C)C)OC(CCCC(O)=O)=O)=O","CHEMICAL_ID":100001593,"PUBCHEM":"71464488","CHEMSPIDER":21403175,"HMDB":"HMDB0013130","_row":"glutarylcarnitine (C5)"}
{"SMILES":"O=C([C@@H](NC(CC[C@@H](C(O)=O)N)=O)CSSC[C@@H](C(NCC(O)=O)=O)NC(CC[C@@H](C(O)=O)N)=O)NCC(O)=O","CHEMICAL_ID":448,"PUBCHEM":"65359","CHEMSPIDER":58835,"HMDB":"HMDB0003337","_row":"glutathione, oxidized (GSSG)"}
{"SMILES":"O=C(N[C@@H](CS)C(NCC(O)=O)=O)CC[C@@H]([C@@](O)=O)N","CHEMICAL_ID":496,"PUBCHEM":"124886","CHEMSPIDER":111188,"HMDB":"HMDB0000125","_row":"glutathione, reduced (GSH)"}
{"SMILES":"O=C(O)C(O)CO","CHEMICAL_ID":1052,"PUBCHEM":"752","CHEMSPIDER":732,"HMDB":"HMDB0000139","_row":"glycerate"}
{"SMILES":"OC(CO)CO","CHEMICAL_ID":1254,"PUBCHEM":"753","CHEMSPIDER":733,"HMDB":"HMDB0000131","_row":"glycerol"}
{"SMILES":"O=P(O)(OCC(CO)O)O","CHEMICAL_ID":100000258,"PUBCHEM":"754","CHEMSPIDER":734,"HMDB":"HMDB0000126","_row":"glycerol 3-phosphate"}
{"SMILES":"O=P(OCCN)(O)OCC(CO)O","CHEMICAL_ID":100001620,"PUBCHEM":"123874","CHEMSPIDER":110410,"HMDB":"HMDB0000114","_row":"glycerophosphoethanolamine"}
{"SMILES":"OC(CO)COP(O)(OCC(CO)O)=O","CHEMICAL_ID":100001619,"PUBCHEM":"439964","CHEMSPIDER":388990,"_row":"glycerophosphoglycerol"}
{"SMILES":"[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(CO)O)=O)([C@]1(O)[H])[H])O","CHEMICAL_ID":100001621,"_row":"glycerophosphoinositol*"}
{"SMILES":"O=P(OCC[N+](C)(C)C)([O-])OC[C@H](O)CO","CHEMICAL_ID":100000269,"PUBCHEM":"71920","CHEMSPIDER":571409,"HMDB":"HMDB0000086","_row":"glycerophosphorylcholine (GPC)"}
{"SMILES":"NCC(O)=O","CHEMICAL_ID":340,"PUBCHEM":"750","CHEMSPIDER":730,"HMDB":"HMDB0000123","_row":"glycine"}
{"SMILES":"OC([C@@H](NC(CN)=O)C(C)CC)=O","CHEMICAL_ID":100001790,"PUBCHEM":"88079","CHEMSPIDER":19972556,"HMDB":"HMDB0028844","_row":"glycylisoleucine"}
{"SMILES":"OC([C@@H](NC(CN)=O)CC(C)C)=O","CHEMICAL_ID":100001258,"PUBCHEM":"92843","CHEMSPIDER":83812,"HMDB":"HMDB0000759","_row":"glycylleucine"}
{"SMILES":"CC(C)[C@@H](C(O)=O)NC(CN)=O","CHEMICAL_ID":100000487,"PUBCHEM":"97417","CHEMSPIDER":2006926,"HMDB":"HMDB0028854","_row":"glycylvaline"}
{"SMILES":"NC(NCC(O)=O)=N","CHEMICAL_ID":344,"PUBCHEM":"763","CHEMSPIDER":743,"HMDB":"HMDB0000128","_row":"guanidinoacetate"}
{"SMILES":"NC(N1)=NC2=C(NC=N2)C1=O","CHEMICAL_ID":172,"PUBCHEM":"764","CHEMSPIDER":744,"HMDB":"HMDB0000132","_row":"guanine"}
{"SMILES":"O=C1C(N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)=C2N=C(N)N1","CHEMICAL_ID":1099,"PUBCHEM":"6802","CHEMSPIDER":6544,"HMDB":"HMDB0000133","_row":"guanosine"}
{"SMILES":"NC1=NC2=C(C(N1)=O)N=CN2C3OC(C(C3O)O)COP(O)(O)=O","CHEMICAL_ID":347,"PUBCHEM":"6804","CHEMSPIDER":741,"HMDB":"HMDB0001397","_row":"guanosine 5'- monophosphate (5'-GMP)"}
{"SMILES":"CC1C(C(C(C1OP(O)(OP(O)(OCC2OC(N3C=NC4=C3N=C(NC4=O)N)C(C2O)O)=O)=O)O)O)O","CHEMICAL_ID":335,"CHEMSPIDER":21402997,"_row":"guanosine 5'-diphospho-fucose"}
{"SMILES":"OC([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)=O","CHEMICAL_ID":100001586,"PUBCHEM":"9794176","CHEMSPIDER":7969943,"_row":"gulonic acid*"}
{"SMILES":"CCCCCCC(O)=O","CHEMICAL_ID":925,"PUBCHEM":"8094","CHEMSPIDER":7803,"HMDB":"HMDB0000666","_row":"heptanoate (7:0)"}
{"SMILES":"O=C(CCCCC)OC(CC([O-])=O)C[N+](C)(C)C","CHEMICAL_ID":100000781,"PUBCHEM":"6426853","CHEMSPIDER":4932273,"HMDB":"HMDB0000756","_row":"hexanoylcarnitine"}
{"SMILES":"O=C(O)CNC(CCCCC)=O","CHEMICAL_ID":100001527,"PUBCHEM":"99463","CHEMSPIDER":89859,"HMDB":"HMDB0000701","_row":"hexanoylglycine"}
{"SMILES":"O=C(C1=CC=CC=C1)NCC(O)=O","CHEMICAL_ID":100000014,"PUBCHEM":"464","CHEMSPIDER":451,"HMDB":"HMDB0000714","_row":"hippurate"}
{"SMILES":"NCCC1=CNC=N1","CHEMICAL_ID":354,"PUBCHEM":"774","CHEMSPIDER":753,"HMDB":"HMDB0000870","_row":"histamine"}
{"SMILES":"NC(C(O)=O)CC1=CN=CN1","CHEMICAL_ID":355,"PUBCHEM":"6274","CHEMSPIDER":752,"HMDB":"HMDB0000177","_row":"histidine"}
{"SMILES":"N[C@H](C(O)=O)CCCCNC(N)=O","CHEMICAL_ID":100000963,"PUBCHEM":"65072","CHEMSPIDER":58582,"HMDB":"HMDB0000679","_row":"homocitrulline"}
{"SMILES":"CC(CC(OC(C[N+](C)(C)C)CC([O-])=O)=O)O","CHEMICAL_ID":100003926,"PUBCHEM":"53481617","HMDB":"HMDB0013127","_row":"hydroxybutyrylcarnitine*"}
{"SMILES":"NCCS(O)=O","CHEMICAL_ID":358,"PUBCHEM":"107812","CHEMSPIDER":96959,"HMDB":"HMDB0000965","_row":"hypotaurine"}
{"SMILES":"O=C1C(N=CN2)=C2N=CN1","CHEMICAL_ID":171,"PUBCHEM":"790","CHEMSPIDER":768,"HMDB":"HMDB0000157","_row":"hypoxanthine"}
{"SMILES":"OC(C(O)=O)CC1=CN=CN1","CHEMICAL_ID":100000263,"PUBCHEM":"440129","CHEMSPIDER":389128,"HMDB":"HMDB0002320","_row":"imidazole lactate"}
{"SMILES":"OC(CCC1=CN=CN1)=O","CHEMICAL_ID":100003434,"PUBCHEM":"70630","CHEMSPIDER":63798,"HMDB":"HMDB0002271","_row":"imidazole propionate"}
{"SMILES":"OC(C(O)=O)CC1=CNC2=C1C=CC=C2","CHEMICAL_ID":100000463,"PUBCHEM":"92904","CHEMSPIDER":83867,"HMDB":"HMDB0000671","_row":"indolelactate"}
{"SMILES":"O[C@H]1[C@H](N2C(N=CN=C3O)=C3N=C2)O[C@H](CO)[C@H]1O","CHEMICAL_ID":361,"PUBCHEM":"6021","CHEMSPIDER":21241953,"HMDB":"HMDB0000195","_row":"inosine"}
{"SMILES":"OC1C(C(N2C=NC3=C2N=CNC3=O)OC1COP(O)(O)=O)O","CHEMICAL_ID":362,"PUBCHEM":"8582","CHEMSPIDER":5482599,"HMDB":"HMDB0000175","_row":"inosine 5'-monophosphate (IMP)"}
{"SMILES":"O[C@@H]1[C@H]([C@@H]([C@H]([C@H]([C@H]1O)O)OP(O)(O)=O)O)O","CHEMICAL_ID":370,"PUBCHEM":"440194","CHEMSPIDER":17215924,"HMDB":"HMDB0000213","_row":"inositol 1-phosphate (I1P)"}
{"SMILES":"CC(C)C(O[C@@H](CC([O-])=O)C[N+](C)(C)C)=O","CHEMICAL_ID":100001055,"PUBCHEM":"168379","HMDB":"HMDB0000736","_row":"isobutyrylcarnitine"}
{"SMILES":"O=C(O)CNC(C(C)C)=O","CHEMICAL_ID":100001590,"PUBCHEM":"10855600","CHEMSPIDER":9030891,"HMDB":"HMDB0000730","_row":"isobutyrylglycine"}
{"SMILES":"OC(C[C@@H]([C@H](O)C(O)=O)[C@@](O)=O)=O","CHEMICAL_ID":1206,"PUBCHEM":"1198","CHEMSPIDER":1161,"HMDB":"HMDB0000193","_row":"isocitrate"}
{"SMILES":"NC(C(O)=O)C(C)CC","CHEMICAL_ID":376,"PUBCHEM":"6306","CHEMSPIDER":769,"HMDB":"HMDB0000172","_row":"isoleucine"}
{"SMILES":"O=C(C(C(CC)C)N)NCC(O)=O","CHEMICAL_ID":100003169,"PUBCHEM":"342532","CHEMSPIDER":303621,"HMDB":"HMDB0028907","_row":"isoleucylglycine"}
{"SMILES":"[O-]C(CC(C[N+](C)(C)C)OC(CC(C)C)=O)=O","CHEMICAL_ID":100001393,"PUBCHEM":"6426851","CHEMSPIDER":4932271,"HMDB":"HMDB0000688","_row":"isovalerylcarnitine"}
{"SMILES":"O=C(O)CNC(CC(C)C)=O","CHEMICAL_ID":100001452,"PUBCHEM":"546304","CHEMSPIDER":475516,"HMDB":"HMDB0000678","_row":"isovalerylglycine"}
{"SMILES":"N[C@H](C(O)=O)CC(C1=CC=CC=C1N)=O","CHEMICAL_ID":100000265,"PUBCHEM":"161166","CHEMSPIDER":141580,"HMDB":"HMDB0000684","_row":"kynurenine"}
{"SMILES":"CC(O)C(O)=O","CHEMICAL_ID":482,"PUBCHEM":"612","CHEMSPIDER":592,"HMDB":"HMDB0000190","_row":"lactate"}
{"SMILES":"[O-]C(CC(C[N+](C)(C)C)OC(CCCCCCCCCCC)=O)=O","CHEMICAL_ID":100001392,"PUBCHEM":"10427569","CHEMSPIDER":8602997,"HMDB":"HMDB0002250","_row":"laurylcarnitine"}
{"SMILES":"NC(C(O)=O)CC(C)C","CHEMICAL_ID":397,"PUBCHEM":"6106","CHEMSPIDER":5880,"HMDB":"HMDB0000687","_row":"leucine"}
{"SMILES":"O=C(C(CC(C)C)N)NC(CCC(N)=O)C(O)=O","CHEMICAL_ID":100003183,"PUBCHEM":"4305457","CHEMSPIDER":3511125,"HMDB":"HMDB0028927","_row":"leucylglutamine*"}
{"SMILES":"O=C(C(CC(C)C)N)NCC(O)=O","CHEMICAL_ID":100003185,"PUBCHEM":"79070","CHEMSPIDER":71402,"HMDB":"HMDB0028929","_row":"leucylglycine"}
{"SMILES":"CCCCC\\C=C/C\\C=C/CCCCCCCC(N)=O","CHEMICAL_ID":1492,"PUBCHEM":"6435901","CHEMSPIDER":4940587,"_row":"linoleamide (18:2n6)"}
{"SMILES":"OC(CCCCCCC/C=C\\C/C=C\\CCCCC)=O","CHEMICAL_ID":180,"PUBCHEM":"5280450","CHEMSPIDER":4444105,"HMDB":"HMDB0000673","_row":"linoleate (18:2n6)"}
{"SMILES":"O=C(O)CCCCCCC/C=C\\C/C=C\\C/C=C\\CC","CHEMICAL_ID":100001337,"PUBCHEM":"5280934","CHEMSPIDER":4444437,"HMDB":"HMDB0003073","_row":"linolenate [alpha or gamma; (18:3n3 or 6)]"}
{"SMILES":"[O-]C(C[C@H](C[N+](C)(C)C)OC(CCCCCCC/C=C\\C/C=C\\CCCCC)=O)=O","CHEMICAL_ID":100003151,"PUBCHEM":"6450015","CHEMSPIDER":4952667,"HMDB":"HMDB0006469","_row":"linoleoylcarnitine*"}
{"SMILES":"NC(C(O)=O)CCCCN","CHEMICAL_ID":407,"PUBCHEM":"5962","CHEMSPIDER":5747,"HMDB":"HMDB0000182","_row":"lysine"}
{"SMILES":"OC(C(O)=O)CC(O)=O","CHEMICAL_ID":409,"PUBCHEM":"525","CHEMSPIDER":510,"HMDB":"HMDB0000156","_row":"malate"}
{"SMILES":"O=C(O)CC(O)=O","CHEMICAL_ID":818,"PUBCHEM":"867","CHEMSPIDER":844,"HMDB":"HMDB0000691","_row":"malonate"}
{"SMILES":"O=C(CC(O)=O)OC(CC([O-])=O)C[N+](C)(C)C","CHEMICAL_ID":100001526,"PUBCHEM":"22833583","CHEMSPIDER":21403153,"HMDB":"HMDB0002095","_row":"malonylcarnitine"}
{"SMILES":"O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O","CHEMICAL_ID":100000276,"PUBCHEM":"439586","CHEMSPIDER":388669,"HMDB":"HMDB0001262","_row":"maltotriose"}
{"SMILES":"OCC(O)C(O)C(O)C(O)CO","CHEMICAL_ID":100001740,"PUBCHEM":"5780","CHEMSPIDER":440,"HMDB":"HMDB0000247","_row":"mannitol/sorbitol"}
{"SMILES":"O[C@@H]1C(CO)O[C@@H](O)[C@@H](O)[C@H]1O","CHEMICAL_ID":803,"PUBCHEM":"18950","CHEMSPIDER":141983,"HMDB":"HMDB0000169","_row":"mannose"}
{"SMILES":"CSCCC(N)C(O)=O","CHEMICAL_ID":415,"PUBCHEM":"6137","CHEMSPIDER":5907,"HMDB":"HMDB0000696","_row":"methionine"}
{"SMILES":"O=C(C(C(O)=O)C)O","CHEMICAL_ID":418,"PUBCHEM":"487","CHEMSPIDER":473,"HMDB":"HMDB0000202","_row":"methylmalonate (MMA)"}
{"SMILES":"O=P(O)(O)OC","CHEMICAL_ID":100001805,"PUBCHEM":"13130","CHEMSPIDER":12578,"HMDB":"HMDB0061711","_row":"methylphosphate"}
{"SMILES":"CC(C(O)=O)CC(O)=O","CHEMICAL_ID":2051,"PUBCHEM":"10349","CHEMSPIDER":9922,"HMDB":"HMDB0001844","_row":"methylsuccinate"}
{"SMILES":"O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O","CHEMICAL_ID":363,"PUBCHEM":"892","CHEMSPIDER":10239179,"HMDB":"HMDB0000211","_row":"myo-inositol"}
{"SMILES":"O=C(CCCCCCC/C=C\\CCCC)O[C@H](CC([O-])=O)C[N+](C)(C)C","CHEMICAL_ID":100006051,"_row":"myristoleoylcarnitine*"}
{"SMILES":"O=C(CCCCCCCCCCCCC)OC(CC([O-])=O)C[N+](C)(C)C","CHEMICAL_ID":100001270,"PUBCHEM":"53477791","CHEMSPIDER":4932274,"HMDB":"HMDB0005066","_row":"myristoylcarnitine"}
{"SMILES":"C[N+](C)(CCCCC(C([O-])=O)N)C","CHEMICAL_ID":189,"PUBCHEM":"440120","CHEMSPIDER":140379,"HMDB":"HMDB0001325","_row":"N-6-trimethyllysine"}
{"SMILES":"OC(C(CC1=CN(C)C=N1)NC(C)=O)=O","CHEMICAL_ID":100004299,"_row":"N-acetyl-1-methylhistidine*"}
{"SMILES":"CC(NC(C(NC(CCC(O)=O)C(O)=O)=O)CC(O)=O)=O","CHEMICAL_ID":100001612,"PUBCHEM":"5255","CHEMSPIDER":5065,"HMDB":"HMDB0001067","_row":"N-acetyl-aspartyl-glutamate (NAAG)"}
{"SMILES":"CC(NCCC(O)=O)=O","CHEMICAL_ID":100002102,"PUBCHEM":"76406","CHEMSPIDER":68881,"_row":"N-acetyl-beta-alanine"}
{"SMILES":"O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(O)=O)[C@@H]1NC(C)=O","CHEMICAL_ID":1212,"PUBCHEM":"440364","CHEMSPIDER":389323,"HMDB":"HMDB0001367","_row":"N-acetyl-glucosamine 1-phosphate"}
{"SMILES":"O=C(O)[C@@H](NC(C)=O)C","CHEMICAL_ID":1110,"PUBCHEM":"88064","CHEMSPIDER":79449,"HMDB":"HMDB0000766","_row":"N-acetylalanine"}
{"SMILES":"OC([C@@H](NC(C)=O)CC(O)=O)=O","CHEMICAL_ID":100000787,"PUBCHEM":"65065","CHEMSPIDER":58576,"HMDB":"HMDB0000812","_row":"N-acetylaspartate (NAA)"}
{"SMILES":"OC([C@H](CS)NC(C)=O)=O","CHEMICAL_ID":1107,"PUBCHEM":"12035","CHEMSPIDER":11540,"HMDB":"HMDB0001890","_row":"N-acetylcysteine"}
{"SMILES":"O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1NC(C)=O","CHEMICAL_ID":1213,"PUBCHEM":"439219","CHEMSPIDER":8216065,"HMDB":"HMDB0002817","_row":"N-acetylglucosamine 6-phosphate"}
{"SMILES":"O=C(O)CC[C@@H](C(O)=O)NC(C)=O","CHEMICAL_ID":100000282,"PUBCHEM":"70914","CHEMSPIDER":1266066,"HMDB":"HMDB0001138","_row":"N-acetylglutamate"}
{"SMILES":"OC([C@H](CCC(N)=O)NC(C)=O)=O","CHEMICAL_ID":100001253,"PUBCHEM":"182230","CHEMSPIDER":158492,"HMDB":"HMDB0006029","_row":"N-acetylglutamine"}
{"SMILES":"OC([C@@H](NC(C)=O)CC1=CNC=N1)=O","CHEMICAL_ID":100001293,"PUBCHEM":"75619","CHEMSPIDER":68142,"HMDB":"HMDB0032055","_row":"N-acetylhistidine"}
{"SMILES":"O=C(O)[C@H](CCSC)NC(C)=O","CHEMICAL_ID":1083,"PUBCHEM":"448580","CHEMSPIDER":395338,"HMDB":"HMDB0011745","_row":"N-acetylmethionine"}
{"SMILES":"OC1(C(O)=O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1","CHEMICAL_ID":1162,"PUBCHEM":"439197","CHEMSPIDER":10292217,"HMDB":"HMDB0000230","_row":"N-acetylneuraminate"}
{"SMILES":"O=C(O)[C@@H](NC(C)=O)CC1=CC=CC=C1","CHEMICAL_ID":100001256,"PUBCHEM":"74839","CHEMSPIDER":67404,"HMDB":"HMDB0000512","_row":"N-acetylphenylalanine"}
{"SMILES":"CC(NCCCCN)=O","CHEMICAL_ID":192,"PUBCHEM":"122356","CHEMSPIDER":109095,"HMDB":"HMDB0002064","_row":"N-acetylputrescine"}
{"SMILES":"OC[C@@H](C(O)=O)NC(C)=O","CHEMICAL_ID":100001851,"PUBCHEM":"65249","CHEMSPIDER":58744,"HMDB":"HMDB0002931","_row":"N-acetylserine"}
{"SMILES":"O=S(CCNC(C)=O)(O)=O","CHEMICAL_ID":100005466,"PUBCHEM":"159864","CHEMSPIDER":140553,"_row":"N-acetyltaurine"}
{"SMILES":"CC(O)C(C(O)=O)NC(C)=O","CHEMICAL_ID":100001274,"PUBCHEM":"152204","CHEMSPIDER":3841173,"HMDB":"HMDB0062557","_row":"N-acetylthreonine"}
{"SMILES":"OC1=CC=C(C[C@@H](C(O)=O)NC(C)=O)C=C1","CHEMICAL_ID":100001104,"PUBCHEM":"68310","CHEMSPIDER":61606,"HMDB":"HMDB0000866","_row":"N-acetyltyrosine"}
{"SMILES":"OC([C@H](CC(O)=O)NC(N)=O)=O","CHEMICAL_ID":1108,"PUBCHEM":"93072","CHEMSPIDER":4573859,"HMDB":"HMDB0000828","_row":"N-carbamoylaspartate"}
{"SMILES":"CC(NCCCC(N)C(O)=O)=O","CHEMICAL_ID":100004523,"PUBCHEM":"9920500","CHEMSPIDER":8096135,"_row":"N-delta-acetylornithine"}
{"SMILES":"CSCCC(C(O)=O)NC=O","CHEMICAL_ID":194,"PUBCHEM":"439750","CHEMSPIDER":388809,"HMDB":"HMDB0001015","_row":"N-formylmethionine"}
{"SMILES":"OC(C1(O)OC(C(NC(CO)=O)C(C1)O)C(C(CO)O)O)=O","CHEMICAL_ID":100001491,"PUBCHEM":"123802","CHEMSPIDER":3794850,"HMDB":"HMDB0000833","_row":"N-glycolylneuraminate"}
{"SMILES":"O=C(NCCS(=O)(O)=O)CCCCCCCCCCCCCCC","CHEMICAL_ID":100003239,"CHEMSPIDER":14435932,"_row":"N-palmitoyltaurine"}
{"SMILES":"O=C(C1=C([H])N(C(C([H])=C1[H])=O)C([H])([H])[H])N([H])[H]","CHEMICAL_ID":100001468,"PUBCHEM":"69698","CHEMSPIDER":62899,"HMDB":"HMDB0004193","_row":"N1-Methyl-2-pyridone-5-carboxamide"}
{"SMILES":"N=C1C2=C(N([C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)C=N2)N=CN1C","CHEMICAL_ID":1242,"PUBCHEM":"27476","CHEMSPIDER":4573813,"HMDB":"HMDB0003331","_row":"N1-methyladenosine"}
{"SMILES":"O=C1C2=C(N=C(N)N1C)N([C@@H]([C@H](O)[C@@H]3O)O[C@@H]3CO)C=N2","CHEMICAL_ID":100001122,"PUBCHEM":"96373","CHEMSPIDER":86996,"HMDB":"HMDB0001563","_row":"N1-methylguanosine"}
{"SMILES":"O=C1C(N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)=C2N=C(N(C)C)N1","CHEMICAL_ID":100001412,"PUBCHEM":"92919","CHEMSPIDER":83878,"HMDB":"HMDB0004824","_row":"N2,N2-dimethylguanosine"}
{"SMILES":"OC([C@H](CCCCN)NC(C)=O)=O","CHEMICAL_ID":100001721,"PUBCHEM":"92907","CHEMSPIDER":83869,"HMDB":"HMDB0000446","_row":"N2-acetyllysine"}
{"SMILES":"O[C@]1([H])[C@@](O)([H])[C@](CO)([H])O[C@]1(N2C(N=C(NC(C)=O)C=C2)=O)[H]","CHEMICAL_ID":100001413,"PUBCHEM":"107461","CHEMSPIDER":96702,"HMDB":"HMDB0005923","_row":"N4-acetylcytidine"}
{"SMILES":"N[C@@H](CCCCNC(C)=O)C(O)=O","CHEMICAL_ID":100001734,"PUBCHEM":"92832","CHEMSPIDER":83801,"HMDB":"HMDB0000206","_row":"N6-acetyllysine"}
{"SMILES":"OC(C)C(C(O)=O)NC(NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)=O","CHEMICAL_ID":100001415,"PUBCHEM":"161466","CHEMSPIDER":141829,"HMDB":"HMDB0041623","_row":"N6-carbamoylthreonyladenosine"}
{"SMILES":"OCC(O1)C(O)C(O)C1N2C=NC3=C(NC(CC(O)=O)C(O)=O)N=CN=C32","CHEMICAL_ID":100001664,"HMDB":"HMDB0000912","_row":"N6-succinyladenosine"}
{"SMILES":"NC(C1=CN=CC=C1)=O","CHEMICAL_ID":432,"PUBCHEM":"936","CHEMSPIDER":911,"HMDB":"HMDB0001406","_row":"nicotinamide"}
{"SMILES":"NC1=NC=NC2=C1N=CN2C3C(O)C(O)C(COP(OP(OCC4C(O)C([O-])C([N+]5=CC(C(N)=O)=CC=C5)O4)(O)=O)(O)=O)O3","CHEMICAL_ID":1310,"PUBCHEM":"5893","CHEMSPIDER":5681,"HMDB":"HMDB0000902","_row":"nicotinamide adenine dinucleotide (NAD+)"}
{"SMILES":"O[C@@H]([C@H]1O)[C@H](O[C@H]1COP(OP(OC[C@H]2O[C@@H](N(C=CC3)C=C3C(N)=O)[C@H](O)[C@@H]2O)(O)=O)(O)=O)N4C(N=CN=C5N)=C5N=C4","CHEMICAL_ID":428,"PUBCHEM":"439153","CHEMSPIDER":388299,"HMDB":"HMDB0001487","_row":"nicotinamide adenine dinucleotide reduced (NADH)"}
{"SMILES":"O[C@@H]1[C@@H](COP([O-])(O)=O)O[C@@H]([N@@+]2=CC=CC(C(N)=O)=C2)[C@@H]1O","CHEMICAL_ID":1312,"PUBCHEM":"14180","CHEMSPIDER":13553,"HMDB":"HMDB0000229","_row":"nicotinamide ribonucleotide (NMN)"}
{"SMILES":"NC(C1=C[N+](C2C(C(C(C[O-])O2)O)O)=CC=C1)=O","CHEMICAL_ID":100001310,"PUBCHEM":"439924","HMDB":"HMDB0000855","_row":"nicotinamide riboside"}
{"SMILES":"OC1=CC=C(CC(C(OC)=O)N)C=C1","CHEMICAL_ID":100002078,"PUBCHEM":"76957","CHEMSPIDER":69406,"_row":"O-methyl tyrosine"}
{"SMILES":"OS(OC1=CC=C(C[C@H](N)C(O)=O)C=C1)(=O)=O","CHEMICAL_ID":100005384,"PUBCHEM":"514186","CHEMSPIDER":448617,"_row":"O-sulfo-L-tyrosine"}
{"SMILES":"[O-]C(CC(C[N+](C)(C)C)OC(CCCCCCC)=O)=O","CHEMICAL_ID":100001247,"PUBCHEM":"123701","CHEMSPIDER":110274,"HMDB":"HMDB0000791","_row":"octanoylcarnitine"}
{"SMILES":"NC(CCCCCCC\\C=C/CCCCCCCC)=O","CHEMICAL_ID":1504,"PUBCHEM":"5283387","CHEMSPIDER":4446508,"HMDB":"HMDB0002117","_row":"oleamide"}
{"SMILES":"[O-]C(C[C@@H](OC(CCCCCCC/C=C\\CCCCCCCC)=O)C[N+](C)(C)C)=O","CHEMICAL_ID":100001501,"PUBCHEM":"6441392;53477789","CHEMSPIDER":21403150,"HMDB":"HMDB0005065","_row":"oleoylcarnitine"}
{"SMILES":"O=C(NC(CC)C(NCC(O)=O)=O)CCC(C(O)=O)N","CHEMICAL_ID":100001311,"PUBCHEM":"7018721","CHEMSPIDER":7993181,"HMDB":"HMDB0005765","_row":"ophthalmate"}
{"SMILES":"O=C(O)[C@@H](N)CCCN","CHEMICAL_ID":444,"PUBCHEM":"6262","CHEMSPIDER":6026,"HMDB":"HMDB0003374","_row":"ornithine"}
{"SMILES":"O=C(C1=CC(O)=NC(O)=N1)O","CHEMICAL_ID":445,"PUBCHEM":"967","CHEMSPIDER":942,"HMDB":"HMDB0000226","_row":"orotate"}
{"SMILES":"O=C(C=C(C(O)=O)N1[C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)NC1=O","CHEMICAL_ID":100001416,"PUBCHEM":"92751","CHEMSPIDER":83729,"HMDB":"HMDB0000788","_row":"orotidine"}
{"SMILES":"O=C(O)C(O)=O","CHEMICAL_ID":100000841,"PUBCHEM":"971","CHEMSPIDER":946,"HMDB":"HMDB0002329","_row":"oxalate (ethanedioate)"}
{"SMILES":"OC(CC(C(O)=O)=O)=O","CHEMICAL_ID":447,"PUBCHEM":"970","CHEMSPIDER":945,"HMDB":"HMDB0000223","_row":"oxaloacetate"}
{"SMILES":"O=S(OC1=CC=C(C)C=C1)(O)=O","CHEMICAL_ID":100001315,"PUBCHEM":"4615423","CHEMSPIDER":3806480,"HMDB":"HMDB0011635","_row":"p-cresol sulfate"}
{"SMILES":"O[C@H]([C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1C(O)=O)OC2=CC=C(C)C=C2","CHEMICAL_ID":100006191,"PUBCHEM":"154035","CHEMSPIDER":135751,"HMDB":"HMDB0011686","_row":"p-cresol-glucuronide*"}
{"SMILES":"OC(CCCCCCCCCCCCCCC)=O","CHEMICAL_ID":424,"PUBCHEM":"985","CHEMSPIDER":960,"HMDB":"HMDB0000220","_row":"palmitate (16:0)"}
{"SMILES":"CCCCCCCCCCCCCCCC(N)=O","CHEMICAL_ID":100003915,"PUBCHEM":"69421","CHEMSPIDER":62629,"_row":"palmitic amide"}
{"SMILES":"CCCCCC\\C=C/CCCCCCCC(O)=O","CHEMICAL_ID":452,"PUBCHEM":"445638","CHEMSPIDER":393216,"HMDB":"HMDB0003229","_row":"palmitoleate (16:1n7)"}
{"SMILES":"CCCCCCCCCCCCCCCC(NCCO)=O","CHEMICAL_ID":1489,"PUBCHEM":"4671","CHEMSPIDER":4509,"HMDB":"HMDB0002100","_row":"palmitoyl ethanolamide"}
{"SMILES":"CCCCCCCCCCCCCCCC(N[C@@](COP([O-])(OCC[N+](C)(C)C)=O)([C@](O)(/C=C/CCCCCCCCCCCCC)[H])[H])=O","CHEMICAL_ID":100002107,"PUBCHEM":"9939941","CHEMSPIDER":8115562,"_row":"palmitoyl sphingomyelin (d18:1/16:0)"}
{"SMILES":"[O-]C(CC(OC(CCCCCCCCCCCCCCC)=O)C[N+](C)(C)C)=O","CHEMICAL_ID":100000776,"PUBCHEM":"461","CHEMSPIDER":448,"HMDB":"HMDB0000222","_row":"palmitoylcarnitine"}
{"SMILES":"O=C(NCCC(O)=O)[C@H](O)C(C)(C)CO","CHEMICAL_ID":1024,"PUBCHEM":"6613","CHEMSPIDER":6361,"HMDB":"HMDB0000210","_row":"pantothenate"}
{"SMILES":"OS(OC1=CC=CC=C1)(=O)=O","CHEMICAL_ID":100001510,"PUBCHEM":"74426","CHEMSPIDER":67018,"HMDB":"HMDB0060015","_row":"phenol sulfate"}
{"SMILES":"OC(CNC(CC1=CC=CC=C1)=O)=O","CHEMICAL_ID":100001275,"PUBCHEM":"68144","CHEMSPIDER":61452,"HMDB":"HMDB0000821","_row":"phenylacetylglycine"}
{"SMILES":"NC(C(O)=O)CC1=CC=CC=C1","CHEMICAL_ID":460,"PUBCHEM":"6140","CHEMSPIDER":5910,"HMDB":"HMDB0000159","_row":"phenylalanine"}
{"SMILES":"O=P(O)(O)O","CHEMICAL_ID":461,"PUBCHEM":"1061","CHEMSPIDER":1032,"HMDB":"HMDB0001429","_row":"phosphate"}
{"SMILES":"NCCOP(O)(O)=O","CHEMICAL_ID":1026,"PUBCHEM":"1015","CHEMSPIDER":990,"HMDB":"HMDB0000224","_row":"phosphoethanolamine"}
{"SMILES":"OC([C@H]1NCCCC1)=O","CHEMICAL_ID":1025,"PUBCHEM":"849","CHEMSPIDER":826,"HMDB":"HMDB0000070","_row":"pipecolate"}
{"SMILES":"OC([C@H]1N(C([C@H]2NCCC2)=O)CC(O)C1)=O","CHEMICAL_ID":100001167,"PUBCHEM":"11673055","CHEMSPIDER":9847785,"HMDB":"HMDB0006695","_row":"pro-hydroxy-pro"}
{"SMILES":"OC(C1CCCN1)=O","CHEMICAL_ID":480,"PUBCHEM":"145742","CHEMSPIDER":128566,"HMDB":"HMDB0000162","_row":"proline"}
{"SMILES":"O=[C@]([C@H]1NCCC1)NCC(O)=O","CHEMICAL_ID":100003674,"PUBCHEM":"7408076;6426709","CHEMSPIDER":4932143,"HMDB":"HMDB0011178","_row":"prolylglycine"}
{"SMILES":"[O-]C(CC(OC(CC)=O)C[N+](C)(C)C)=O","CHEMICAL_ID":100001162,"PUBCHEM":"107738","CHEMSPIDER":96904,"HMDB":"HMDB0000824","_row":"propionylcarnitine"}
{"SMILES":"O=C(CC)NCC(O)=O","CHEMICAL_ID":100001150,"PUBCHEM":"98681","CHEMSPIDER":89122,"HMDB":"HMDB0000783","_row":"propionylglycine"}
{"SMILES":"CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC([C@@H]1C/C=C\\CCCC(O)=O)=O","CHEMICAL_ID":487,"PUBCHEM":"5280360","CHEMSPIDER":4444059,"HMDB":"HMDB0001220","_row":"prostaglandin E2"}
{"SMILES":"O[C@]1([H])[C@@](O)([H])[C@](CO)([H])O[C@]1(C2=CNC(NC2=O)=O)[H]","CHEMICAL_ID":821,"PUBCHEM":"15047","CHEMSPIDER":21403010,"HMDB":"HMDB0000767","_row":"pseudouridine"}
{"SMILES":"NC(N1)=NC2=NC=CN=C2C1=O","CHEMICAL_ID":100004216,"PUBCHEM":"73000","CHEMSPIDER":65806,"HMDB":"HMDB0000802","_row":"pterin"}
{"SMILES":"NCCCCN","CHEMICAL_ID":49,"PUBCHEM":"1045","CHEMSPIDER":13837702,"HMDB":"HMDB0001414","_row":"putrescine"}
{"SMILES":"OC1=C(C)N=CC(CO)=C1C=O","CHEMICAL_ID":491,"PUBCHEM":"1050","CHEMSPIDER":1021,"HMDB":"HMDB0001545","_row":"pyridoxal"}
{"SMILES":"OC1=C(C(O)=O)C(CO)=CN=C1C","CHEMICAL_ID":100001121,"PUBCHEM":"6723","CHEMSPIDER":6467,"HMDB":"HMDB0000017","_row":"pyridoxate"}
{"SMILES":"CC(C(O)=O)=O","CHEMICAL_ID":823,"PUBCHEM":"1060","CHEMSPIDER":96901,"HMDB":"HMDB0000243","_row":"pyruvate"}
{"SMILES":"OC[C@@H](O)[C@@H](O)[C@@H](O)CO","CHEMICAL_ID":100000406,"PUBCHEM":"6912","CHEMSPIDER":10254628,"HMDB":"HMDB0000508","_row":"ribitol"}
{"SMILES":"OC(C(O)C(O)CO)CN1C(C=C2C)=C(C=C2C)N=C(C(N3)=O)C1=NC3=O","CHEMICAL_ID":500,"PUBCHEM":"493570","CHEMSPIDER":431981,"HMDB":"HMDB0000244","_row":"riboflavin (Vitamin B2)"}
{"SMILES":"OC([C@H](O)[C@H](O)[C@H](O)CO)=O","CHEMICAL_ID":100001007,"PUBCHEM":"5460677","CHEMSPIDER":4574162,"HMDB":"HMDB0000867","_row":"ribonate"}
{"SMILES":"O=C[C@@H]([C@@H]([C@@H](CO)O)O)O","CHEMICAL_ID":914,"PUBCHEM":"5779","CHEMSPIDER":4470639,"HMDB":"HMDB0000283","_row":"ribose"}
{"SMILES":"O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(O)=O","CHEMICAL_ID":219,"PUBCHEM":"439236","CHEMSPIDER":388373,"HMDB":"HMDB0001489","_row":"ribose 1-phosphate"}
{"SMILES":"OC1C(N2C=NC3=C2N=CN=C3N)OC(CSCCC(N)C(O)=O)C1O","CHEMICAL_ID":197,"PUBCHEM":"439155","CHEMSPIDER":16788012,"HMDB":"HMDB0000939","_row":"S-adenosylhomocysteine (SAH)"}
{"SMILES":"NC1=NC=NC2=C1N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](C[S+](CCC(N)C([O-])=O)C)([H])O3","CHEMICAL_ID":1263,"PUBCHEM":"34755","HMDB":"HMDB0001185","_row":"S-adenosylmethionine (SAM)"}
{"SMILES":"O=C(NCC(O)=O)C(CSC)NC(CCC(N)C(O)=O)=O","CHEMICAL_ID":100001259,"PUBCHEM":"3605667","CHEMSPIDER":2841309,"_row":"S-methylglutathione"}
{"SMILES":"OP(OCC(C(C(C(C(CO)=O)O)O)O)O)(O)=O","CHEMICAL_ID":100001628,"PUBCHEM":"616","CHEMSPIDER":596,"HMDB":"HMDB0001068","_row":"sedoheptulose-7-phosphate"}
{"SMILES":"OC([C@@H](N)CO)=O","CHEMICAL_ID":503,"PUBCHEM":"5951","CHEMSPIDER":5736,"HMDB":"HMDB0000187","_row":"serine"}
{"SMILES":"NCCC1=CNC(C=C2)=C1C=C2O","CHEMICAL_ID":504,"PUBCHEM":"5202","CHEMSPIDER":5013,"HMDB":"HMDB0000259","_row":"serotonin"}
{"SMILES":"NCCCCNCCCN","CHEMICAL_ID":50,"PUBCHEM":"1102","CHEMSPIDER":1071,"HMDB":"HMDB0001257","_row":"spermidine"}
{"SMILES":"NCCCNCCCCNCCCN","CHEMICAL_ID":507,"PUBCHEM":"1103","CHEMSPIDER":1072,"HMDB":"HMDB0001256","_row":"spermine"}
{"SMILES":"CCCCCCCCCCCCCC(N[C@@](COP([O-])(OCC[N+](C)(C)C)=O)([C@](O)(/C=C/CCCCCCCCCCCCC)[H])[H])=O","CHEMICAL_ID":100004328,"PUBCHEM":"11433862","CHEMSPIDER":9608732,"HMDB":"HMDB0012097","_row":"sphingomyelin (d18:1/14:0, d16:1/16:0)*"}
{"SMILES":"O[C@H](/C=C/CCCCCCCCCCCCC)[C@H](CO[P](OCC[N+](C)(C)C)([O-])=O)NC(CCCCCCCCCCCCC/C=C\\CCCCCCCC)=O","CHEMICAL_ID":100005986,"CHEMSPIDER":24846874,"HMDB":"HMDB0012107","_row":"sphingomyelin (d18:1/24:1, d18:2/24:0)*"}
{"SMILES":"CCCCC/C=C/CCCCCCCCC(N[C@@](COP([O-])(OCC[N+](C)(C)C)=O)([C@](O)(/C=C/CCCCCCCCCCCCC)[H])[H])=O","CHEMICAL_ID":100004329,"_row":"sphingomyelin (d18:2/16:0, d18:1/16:1)*"}
{"SMILES":"CCCCCCCCCCCCC/C=C/C(C(CO)N)O","CHEMICAL_ID":297,"PUBCHEM":"5353955","CHEMSPIDER":4510275,"HMDB":"HMDB0000252","_row":"sphingosine"}
{"SMILES":"C[N+]1(C)[C@H]([C@@]([O-])=O)CCC1","CHEMICAL_ID":100001296,"PUBCHEM":"115244","CHEMSPIDER":103115,"HMDB":"HMDB0004827","_row":"stachydrine"}
{"SMILES":"CCCCCCCCCCCCCCCCCC(O)=O","CHEMICAL_ID":439,"PUBCHEM":"5281","CHEMSPIDER":5091,"HMDB":"HMDB0000827","_row":"stearate (18:0)"}
{"SMILES":"CC\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCCC(O)=O","CHEMICAL_ID":100001229,"PUBCHEM":"5312508","CHEMSPIDER":4471933,"HMDB":"HMDB0006547","_row":"stearidonate (18:4n3)"}
{"SMILES":"CCCCCCCCCCCCCCCCCC(N[C@@](COP([O-])(OCC[N+](C)(C)C)=O)([C@](O)(/C=C/CCCCCCCCCCCCC)[H])[H])=O","CHEMICAL_ID":1538,"PUBCHEM":"6453725","CHEMSPIDER":4956085,"HMDB":"HMDB0001348","_row":"stearoyl sphingomyelin (d18:1/18:0)"}
{"SMILES":"[O-]C(C[C@@H](OC(CCCCCCCCCCCCCCCCC)=O)C[N+](C)(C)C)=O","CHEMICAL_ID":100001391,"PUBCHEM":"6426855","CHEMSPIDER":21233653,"HMDB":"HMDB0000848","_row":"stearoylcarnitine"}
{"SMILES":"OC(CCC(O)=O)=O","CHEMICAL_ID":252,"PUBCHEM":"1110","CHEMSPIDER":1078,"HMDB":"HMDB0000254","_row":"succinate"}
{"SMILES":"[O-]C(CC(C[N+](C)(C)C)OC(CCC(O)=O)=O)=O","CHEMICAL_ID":100001948,"_row":"succinylcarnitine"}
{"SMILES":"OS(O)(=O)=O","CHEMICAL_ID":100002528,"PUBCHEM":"1118","CHEMSPIDER":1086,"HMDB":"HMDB0001448","_row":"sulfate*"}
{"SMILES":"OC([C@H](O)[C@@H](O)C(O)=O)=O","CHEMICAL_ID":100000295,"PUBCHEM":"444305","CHEMSPIDER":852,"HMDB":"HMDB0000956","_row":"tartarate"}
{"SMILES":"NCCS(=O)(O)=O","CHEMICAL_ID":512,"PUBCHEM":"1123","CHEMSPIDER":1091,"HMDB":"HMDB0000251","_row":"taurine"}
{"SMILES":"NC1=C(C[N+]2=CSC(CC[O-])=C2C)C=NC(C)=N1","CHEMICAL_ID":873,"PUBCHEM":"1130","HMDB":"HMDB0000235","_row":"thiamin (Vitamin B1)"}
{"SMILES":"CC1=NC=C(C(N)=N1)C[N+]2=CSC(CCOP(OP(O)([O-])=O)(O)=O)=C2C","CHEMICAL_ID":522,"PUBCHEM":"1132","CHEMSPIDER":8715,"HMDB":"HMDB0001372","_row":"thiamin diphosphate"}
{"SMILES":"CC1=NC=C(C[N+]2=CSC(CCOP(O)([O-])=O)=C2C)C(N)=N1","CHEMICAL_ID":523,"PUBCHEM":"3382778","CHEMSPIDER":2627905,"HMDB":"HMDB0002666","_row":"thiamin monophosphate"}
{"SMILES":"O=C(O)C(O)([H])C([H])(O)CO","CHEMICAL_ID":100001022,"PUBCHEM":"151152","CHEMSPIDER":133224,"HMDB":"HMDB0000943","_row":"threonate"}
{"SMILES":"N[C@H](C(O)=O)[C@H](O)C","CHEMICAL_ID":564,"PUBCHEM":"6288","CHEMSPIDER":6051,"HMDB":"HMDB0000167","_row":"threonine"}
{"SMILES":"O=C(NC(C(C)=C1)=O)N1[C@]2([C@@]([C@@]([C@@](CO)(O2)[H])(O)[H])([H])[H])[H]","CHEMICAL_ID":872,"PUBCHEM":"5789","CHEMSPIDER":5585,"HMDB":"HMDB0000273","_row":"thymidine"}
{"SMILES":"[O-]C(CC(C[N+](C)(C)C)OC(/C(C)=C/C)=O)=O","CHEMICAL_ID":100001597,"PUBCHEM":"22833596","CHEMSPIDER":17216200,"HMDB":"HMDB0002366","_row":"tiglyl carnitine"}
{"SMILES":"O[C@@H]1C[C@@H](C(O)=O)NC1","CHEMICAL_ID":1001,"PUBCHEM":"5810","CHEMSPIDER":5605,"HMDB":"HMDB0000725","_row":"trans-4-hydroxyproline"}
{"SMILES":"O=C(O)/C=C/C1=CNC=N1","CHEMICAL_ID":537,"PUBCHEM":"736715","CHEMSPIDER":643824,"HMDB":"HMDB0000301","_row":"trans-urocanate"}
{"SMILES":"C[N+]1=CC(C([O-])=O)=CC=C1","CHEMICAL_ID":100001092,"PUBCHEM":"5570","CHEMSPIDER":5369,"HMDB":"HMDB0000875","_row":"trigonelline (N'-methylnicotinate)"}
{"SMILES":"O=C(O)[C@@H](N)CC1=CNC2=C1C=CC=C2","CHEMICAL_ID":565,"PUBCHEM":"6305","CHEMSPIDER":6066,"HMDB":"HMDB0000929","_row":"tryptophan"}
{"SMILES":"N[C@@H](CC1=CC=C(O)C=C1)C(O)=O","CHEMICAL_ID":815,"PUBCHEM":"6057","CHEMSPIDER":5833,"HMDB":"HMDB0000158","_row":"tyrosine"}
{"SMILES":"O[C@H]([C@@H]1O)[C@@H](O[C@@H]1COP(OP(O[C@H]([C@H](O)[C@H]2O)O[C@H](CO)[C@@H]2O)(O)=O)(O)=O)N(C=CC3=O)C(N3)=O","CHEMICAL_ID":100000298,"PUBCHEM":"18068","CHEMSPIDER":17069,"HMDB":"HMDB0000302","_row":"UDP-galactose"}
{"SMILES":"OC1C(N(C=CC2=O)C(N2)=O)OC(COP(O)(OP(OC(C(C(O)C3O)O)OC3CO)(O)=O)=O)C1O","CHEMICAL_ID":1096,"PUBCHEM":"8629","CHEMSPIDER":8308,"HMDB":"HMDB0000286","_row":"UDP-glucose"}
{"SMILES":"OC1C(N(C=CC2=O)C(N2)=O)OC(COP(OP(OC(C(C(O)C3O)O)OC3C(O)=O)(O)=O)(O)=O)C1O","CHEMICAL_ID":1097,"PUBCHEM":"17473","CHEMSPIDER":16522,"HMDB":"HMDB0000935","_row":"UDP-glucuronate"}
{"SMILES":"O[C@]1([H])[C@@](O)([H])[C@](COP(O)(OP(O)(O[C@H]2[C@H](NC(C)=O)[C@@H](O)[C@H](O)C(CO)O2)=O)=O)([H])O[C@]1(N(C=C3)C(NC3=O)=O)[H]","CHEMICAL_ID":1249,"PUBCHEM":"445675","CHEMSPIDER":17215931,"HMDB":"HMDB0000290","_row":"UDP-N-acetylglucosamine"}
{"SMILES":"O=C(O)CCCCCCCCCC(O)=O","CHEMICAL_ID":100001617,"PUBCHEM":"15816","CHEMSPIDER":15037,"HMDB":"HMDB0000888","_row":"undecanedioate"}
{"SMILES":"O=C(NC=C1)NC1=O","CHEMICAL_ID":825,"PUBCHEM":"1174","CHEMSPIDER":1141,"HMDB":"HMDB0000300","_row":"uracil"}
{"SMILES":"O=C1NC(NC(NC2=O)=O)=C2N1","CHEMICAL_ID":1134,"PUBCHEM":"1175","HMDB":"HMDB0000289","_row":"urate"}
{"SMILES":"O=C(N)N","CHEMICAL_ID":533,"PUBCHEM":"1176","CHEMSPIDER":1143,"HMDB":"HMDB0000294","_row":"urea"}
{"SMILES":"OC1C(N(C=CC2=O)C(N2)=O)OC(CO)C1O","CHEMICAL_ID":535,"PUBCHEM":"6029","CHEMSPIDER":5807,"HMDB":"HMDB0000296","_row":"uridine"}
{"SMILES":"O=C1C=CN([C@H]2[C@H](O)[C@H](OP(O)(O)=O)[C@@H](CO)O2)C(N1)=O","CHEMICAL_ID":106,"PUBCHEM":"101543","CHEMSPIDER":91753,"_row":"uridine 3'-monophosphate (3'-UMP)"}
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