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{"sheet":"Table S2-1","index":0,"n_rows":1015,"n_cols":20,"rows_kept":1015,"merged":[[0,0,0,19]],"flags":["formulas_cached_only"]}
["Table S2-1 Differential metabolites (DMs) in TM vs. TM-06T"]
["Compound ID","Name","Retention time (min)","m/z","TM_1","TM_2","TM_3","TM_4","TM_5","TM-06T_1","TM-06T_2","TM-06T_3","TM-06T_4","TM-06T_5","TM mean","TM-06T mean","log2 (TM-06T/TM)","P-value","FDR","VIP"]
["NEG00066","Indole-3-ethanol",291.356,160.07551288147,13129.2549656401,31833.3322983961,30714.7282349636,12669.336861809,21049.7202112537,5510257.17789544,6326842.61382043,3770901.51391083,5309198.63487336,6835686.78982939,21879.2745144125,5550577.34606589,7.98692913047496,{"v":5.64104663206653e-06,"d":"5.64E-06"},0.000105579522724333,0.970950646799773]
["NEG00059","Indole-3-acetaldehyde",326.681,158.05981576503,3360950.20948853,3646985.63059885,3664744.23518897,3552466.86112147,3666473.87732486,13031010.2251544,11847611.9761857,11729751.9434208,22224485.8168515,12257603.5477798,3578324.16274454,14218092.7018784,1.99037195326791,0.000746815210110187,0.00412917729891578,1.28941279519471]
["NEG04415","Indolepyruvate",320.1605,202.050061671636,782102.93956031,610775.634698577,624351.340513867,840554.960517834,584039.457333937,4743793.52305133,7249333.54216602,7902235.47204525,12469096.8113405,3284214.42677688,688364.866524905,7129734.755076,3.37260303499535,0.00349491604347232,0.0146648775445138,0.968446181782658]
["NEG05953","3-Indoleacetonitrile",34.5192,155.064206865227,91210.0185483547,126088.59938232,111351.476052139,106040.324671239,111168.670515909,910811.097883777,1955564.86546924,1869012.5709424,2207731.78550149,1482413.99392794,109171.817833992,1685106.86274497,3.94816769943706,0.000115634224250833,0.000959613886964705,0.510813111741567]
["POS00039","Indole-3-carboxaldehyde",203.697,146.059521394925,1015468.43805547,1080334.22831666,1137273.60414563,1061466.32820136,999875.641001166,79109391.7836405,97405601.9913231,95246247.3477502,124936267.765254,83855128.6850392,1058883.64794406,96110527.5146014,6.50407848877196,{"v":2.26174475404876e-06,"d":"2.26E-06"},{"v":6.28371694711807e-05,"d":"6.28E-05"},4.05329649574012]
["NEG04933","5-Hydroxyindolepyruvate",199.017,218.04512126719,3078330.96975056,3595931.00361106,3548331.39597937,3375953.42035179,3617238.14160356,937631.219117049,196554.000984523,934715.573737819,398963.675879516,942167.655575098,3443156.98625927,682006.425058801,-2.33587472441483,{"v":4.74216222444816e-07,"d":"4.74E-07"},{"v":2.77280564190125e-05,"d":"2.77E-05"},0.68971118807099]
["NEG04765","6-Hydroxyindolelactate",246.956,220.060809973593,20618.7755050304,9737.47878885958,11683.3149904131,8917.7730256904,11468.0850704812,208385.112155663,226174.119383377,238794.064858512,517227.616690971,195711.754803869,12485.0854760949,277258.533578478,4.47295426146586,0.00235543408294327,0.0105675593309983,0.198656590288342]
["NEG05037","Indole",192.257,116.049061088145,192106.86277439,233014.488649689,222551.831205742,205952.261822928,207058.045352078,3264733.74946199,4211260.5621248,4074783.89649119,5453649.81848234,3337036.11506445,212136.697960965,4068292.82832495,4.26135740316554,{"v":1.01622065937376e-05,"d":"1.02E-05"},0.000157831771158987,0.811020937756989]
["POS00064","2-methylindole",203.808,132.080409880885,1001927.2265644,1070829.11062343,1032667.34415469,792111.602103441,987395.579968563,36081003.1724436,43205272.6752374,43274156.4494729,57179697.7755004,37995554.3602358,976986.172682905,43547136.886578,5.47809591436138,{"v":2.90573057300227e-06,"d":"2.91E-06"},{"v":7.38484821195406e-05,"d":"7.38E-05"},2.71099148792367]
["NEG04600","3-Methyleneoxindole",281.355,144.044079920101,5558097.40813565,7093371.68846383,6947926.19537548,5902462.68392308,6176706.71169056,39681606.575002,46536172.4258358,45546376.5521344,81394884.1769092,42002098.4342239,6335712.93751772,51032227.6328211,3.00982974341338,0.000401347915523578,0.00251159875024056,2.67226049111764]
["NEG04844","(Indol-3-yl)acetamide",222.292,173.070852976586,777703.972007435,662544.814034621,679409.637871152,854345.154938526,742606.722284558,774077.75482651,64555.5885595937,59905.8688950112,113882.485845986,63242.8256340889,743322.060227258,215132.904752238,-1.78875922177613,0.00640521679509725,0.0240356834936829,0.277355912892679]
["NEG04240","Desacetoxyvindoline",360.982,397.218751185681,74972.8212104319,67006.1279874348,98945.8757515892,75607.8607736794,68488.9460730129,24940.3369402607,34964.0904786594,8513.23926928779,23430.6347133941,31965.3347507223,77004.3263592296,24762.7272304649,-1.63676928969887,0.000101658678118816,0.000861210733381561,0.094324396811391]
["NEG00086","Tryptophan",217.981,203.081690648956,250711.485399288,369965.408131048,368060.810044581,249902.523372892,313244.118301464,4072872.26714401,3850706.54147851,4650759.55194038,9947210.52453854,6460712.5285502,310376.869049855,5796452.28273033,4.22307721992041,0.00129703274831313,0.006540729969791,0.920992793674337]
["NEG00526","L-Tryptophan",675.037,203.081680767859,1578573.49583056,1999646.11361719,1923886.32775267,1759512.97086366,1749284.33754873,638403951.839333,776982180.939327,751372081.620703,983178935.220926,640531593.558442,1802180.64912256,758093748.635746,8.71648882515233,{"v":2.1203787931426e-06,"d":"2.12E-06"},{"v":6.05888685336496e-05,"d":"6.06E-05"},11.431054155795]
["POS00307","5-Hydroxytryptophan",182.912,221.091301182781,37441.7769808718,51659.5993198052,40377.0392061085,35962.4607237512,53522.9512475281,7355450.89794972,9473798.92929733,8881997.99928099,14159494.3640738,7143979.57702408,43792.765495613,9402944.35352518,7.74627621159183,{"v":7.79348932747829e-05,"d":"7.79E-05"},0.000698602760757724,1.24485094623504]
["NEG05192","5-Hydroxy-L-tryptophan",177.263,219.07671113906,405484.905326985,772503.766203873,706090.55737525,406343.742963733,596217.873381284,1191163.62315071,1599816.0916606,1392465.1637764,2484044.18168597,1246884.64219541,577328.169050225,1582874.74049382,1.45508356920496,0.00364970200804225,0.0151861554250911,0.384991491798846]
["NEG05027","Tryptamine",192.316,159.091440742652,648228.904428931,547124.202231414,581825.340321204,702775.101444755,622110.258047524,1055764.38717652,1347141.5036419,1320824.06466602,1600215.57617894,975449.755452537,620412.761294766,1259879.05742318,1.02198498166077,0.00053195073157988,0.0031266959557908,0.31639082172539]
["POS04267","alpha,beta-Didehydrotryptophan",101.4622,203.08076183638,359234.520137512,837688.402362775,788334.326802146,468197.106270571,621303.638509015,2242580.50351826,3119457.78030427,3156163.41029404,3917263.08975604,2460058.23745532,614951.598816404,2979104.60426559,2.27633401193384,{"v":6.01256834291563e-05,"d":"6.01E-05"},0.000575358957321897,0.630142315120673]
["NEG06202","Asparaginyl-Tryptophan",31.5874,317.119649642799,2183233.65003565,1938280.06345796,1662142.08757538,2540363.41351265,1554582.48628871,869428.319141631,1042121.91962463,726890.59333742,570885.637992588,1067088.44470614,1975720.34017407,855282.982960482,-1.20790500938594,0.000543559191292288,0.00316993515339036,0.429773617540834]
["NEG04887","N-Acetyl-D-tryptophan",211.77,245.092717163018,2411.05329125379,13934.2881008382,11889.2088139174,5579.80961335085,7083.71562277079,314645.092489761,360228.655765273,286299.403559125,392053.134294714,359960.246553419,8179.61508842621,342637.306532458,5.38850547589397,{"v":1.03633877457508e-07,"d":"1.04E-07"},{"v":9.86285816739222e-06,"d":"9.86E-06"},0.241962586375008]
["NEG02898","Nb-Lignoceroyltryptamine",494.8515,509.447795555692,101585.894174791,237033.296401906,186680.008433101,144434.448325674,189136.688649313,561660.266946543,503930.410101615,279501.253642462,629434.852594328,573416.247434045,171774.067196957,509588.606143799,1.56882077219706,0.000827661197565578,0.00450380600573093,0.229575706976667]
["NEG05718","2-Amino-3-carboxymuconate semialdehyde",37.516,184.02403404817,0,0,7409.25818795899,0,0,90258.3624854989,141467.543725629,107403.704033842,143887.266474025,234855.312289455,1481.8516375918,143574.43780169,6.59825408950073,0.000466856478301169,0.00281960880054152,0.150918810062583]
["NEG00688","2-Aminomuconate",672.716,156.028903765127,349755.935822454,388151.598433037,323445.375145096,224557.772548127,272868.252944902,1350548.47677779,1521973.60017746,1115905.06372799,1336917.83037791,1684782.13221062,311755.786978723,1402025.42065435,2.1690242621383,{"v":4.40540448394995e-06,"d":"4.41E-06"},{"v":9.28514258245561e-05,"d":"9.29E-05"},0.433117577269793]
["POS07917","4,4''-bis(N-feruloyl)serotonin",34.93355,703.267193103014,2843575.77987881,2582552.68621785,2188472.58928157,3778937.91027702,2095239.27165406,1158569.94782304,408997.747195633,598328.604095865,801508.524098474,545818.961779702,2697755.64746186,702644.756998543,-1.9408922990742,0.000301345755076067,0.00203140180449768,0.578209424904497]
["POS00177","Kynurenic acid",213.27,190.049174821468,2097345.82261644,1215741.70894612,147437.673046302,2248339.62276785,120674.146448555,9825933.60800662,12905914.2073424,12703464.9829273,16003206.6405246,12056760.0695448,1165907.79476505,12699055.9016691,3.44519564194949,{"v":5.59271616282838e-06,"d":"5.59E-06"},0.000105553668338951,1.40324688421308]
["NEG05202","L-Formylkynurenine",175.2435,235.07181511851,16145.067783112,17789.5004809033,13692.6934531874,16819.1787454118,13946.4060689314,111512.836751017,160171.36475419,174970.346552536,88872.3508410451,72250.6327822442,15678.5693063092,121555.506336206,2.9547494249915,0.000721354551282929,0.00400822224582427,0.128789147573759]
["NEG05389","L-Kynurenine",154.222,207.076629979838,649961.965154647,708945.37043377,792493.235157217,651142.032146314,756387.295831572,670035.739306165,136420.689407448,106083.725286202,92237.0634517438,124414.993421061,711785.979744704,225838.442174524,-1.65615243366818,0.00287137272078168,0.0124574686518491,0.26947523174095]
["POS04646","N-Acetylserotonin",238.6915,219.112081689243,19007.4211974012,40384.3872743154,36017.140489384,35505.2765543213,10880.1722397148,61920.328325456,105081.305219325,63669.4298952125,96702.6698463757,93078.1847759003,28358.8795510273,84090.3836124539,1.5681402931969,0.000754831404400984,0.00415807989148473,0.0924183602153611]
["POS05346","N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate",43.9115,254.067815987073,828240.268737137,766246.938590706,735464.401292436,703989.229976222,923807.654929839,1090798.9709469,1977002.76598175,1210029.75390657,1694868.42821962,2072870.91935226,791549.698705268,1609114.16768142,1.02351484961167,0.00369647638059854,0.0153125444013536,0.347186322707619]
["NEG06097","Serotonin",32.2632,175.090527724839,183769.081535823,272004.967097877,342697.215852098,249115.786327876,386232.375898391,995853.181710787,852341.250788425,505702.10162804,1294351.95916756,737094.799589711,286763.885342413,877068.658576905,1.61282643955095,0.00251012608173223,0.0111011110739288,0.294758083607355]
["POS06813","Quinoline-3-carboxamides",326.145,360.111686420316,0,0,0,0,0,239100.498513661,266664.660932859,143284.134095191,242858.950795575,253206.491718593,1,229022.947211176,17.8051326324497,{"v":6.20000109167526e-06,"d":"6.20E-06"},0.000113658216733867,0.197102538085252]
["NEG05121","4-Hydroxy-2-quinolinecarboxylic acid",187.371,188.034269168204,106565.127078582,109017.498561828,82386.1318348212,101933.369009886,101739.092438903,2258897.47573002,2894970.85562047,2833106.0424518,3568252.72713311,2756461.29578223,100328.243784804,2862337.67934353,4.83439417476189,{"v":1.03543920109549e-06,"d":"1.04E-06"},{"v":4.14969811515254e-05,"d":"4.15E-05"},0.693427415321868]
["POS00033","Isoquinoline",203.679,130.064761833995,372412.822220198,498195.803732921,964595.48913121,247483.4541637,999203.671127388,25649412.6878559,29907847.4934614,29912004.4557296,33954071.1799368,25862118.4212041,616378.248075083,29057090.8476376,5.55893050931995,{"v":7.80460580370732e-08,"d":"7.80E-08"},{"v":8.72750043999572e-06,"d":"8.73E-06"},2.23566269086266]
["POS02539","2-Aminoquinoline",291.111,145.077537283515,27898.4926142135,59380.0928421151,32248.0116479648,31905.8122470954,22096.2770532369,252445.317232815,374088.093870553,208914.959832905,301859.861461984,400420.241888211,34705.7372809251,307545.694857294,3.14755469799691,{"v":7.12468934688405e-05,"d":"7.12E-05"},0.00065038235609413,0.212669396954895]
["POS07072","3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide",399.1345,398.264986148121,173422.782785426,181019.994371447,260187.756464089,197247.312465342,210567.09060199,75320.1637984448,13278.6525375533,32036.3906750545,110043.821899887,0,204488.987337659,46135.8057821879,-2.14806439024466,0.000259684468053414,0.00179800960468299,0.161042635962515]
["NEG02363","(-)-3,4,9-Trimethoxypterocarpan",528.284,313.114365474184,9610676.66412686,8960029.13814823,7634858.14797029,8213075.75512589,6820643.96788492,1920621.11746853,3339351.0678986,2299140.02925116,3326346.98779812,3175066.08423379,8247856.73465124,2812105.05733004,-1.55236878028874,{"v":1.21704825125659e-05,"d":"1.22E-05"},0.000177324326640741,0.965613620026876]
["NEG05726","(-)-Columbianetin",37.4658,245.077354152855,2413331.76102766,2795131.78375206,2072365.67005139,2686541.22099221,2050159.08600894,380534.321937156,603071.487286587,412474.761609435,596266.059012563,563251.948122916,2403505.90436645,511119.715593731,-2.23340720046504,{"v":2.41695945459898e-06,"d":"2.42E-06"},{"v":6.55215735783106e-05,"d":"6.55E-05"},0.572982386809292]
["NEG05801","({1-[2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl]-3,7-dimethylocta-2,6-dien-4-yl}oxy)sulfonic acid",36.8593,585.178599107946,1208303.5510519,1357344.97119442,1089096.67607967,936682.174362179,960110.047768346,222953.140682327,238908.536963314,149324.110918289,456985.855234762,286190.008081518,1110307.4840913,270872.330376042,-2.03527433127486,{"v":1.96351753361573e-05,"d":"1.96E-05"},0.00025237971057078,0.375013798479411]
["NEG04568","(+/-)-6-Acetonyldihydrosanguirine",288.932,388.118908717943,37396360.9287465,27559173.1689229,27815982.1378212,38627668.5206454,33150300.396747,9038984.83616084,8353883.85528391,6732101.8383396,8026379.22503706,8096625.90572298,32909897.0305766,8049595.13210888,-2.03153338512665,{"v":5.53343120150536e-06,"d":"5.53E-06"},0.000105323564954611,2.08343565655828]
["NEG01847","(15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate",547.7985,319.222157233832,190451.437671698,185123.243143981,130821.236030736,236518.427212457,130412.302934812,801421.490808139,564851.519700181,578410.975005838,834016.653239512,536668.803545798,174665.329398737,663073.888459894,1.92457637789126,{"v":8.28795020412718e-05,"d":"8.29E-05"},0.000734099034912096,0.282050817263995]
["POS07333","(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydrophthalene",171.0045,452.151130462146,4458.82284787526,0,9978.57187144679,0,0,264678.250209027,350948.645743906,208455.047488121,339042.153436573,379650.32920343,2887.47894386441,308554.885216211,6.73957289999145,{"v":1.05391923249054e-05,"d":"1.05E-05"},0.000160893540168266,0.227717823630828]
["NEG05057","(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-phthalenyl)thio]-2-oxopropanoic acid",192.249,263.037988809647,5249.09223591062,5475.79960047682,6717.4121091775,7238.76162045364,6857.0763999593,635098.86052636,704436.588036975,723800.423861945,837069.878867597,672590.849986272,6307.62839319558,714599.32025583,6.8238930634894,{"v":3.03542009430282e-08,"d":"3.04E-08"},{"v":6.31767876185511e-06,"d":"6.32E-06"},0.353253266172205]
["NEG04843","(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid",222.3855,229.097602443855,35952.3759909584,35834.5986039821,30621.1766715246,39196.4511350366,36667.1772122998,2557486.06903765,3784882.83958449,3788801.89657615,6309341.30139096,2761061.05854038,35654.3559227603,3840314.63302593,6.75100236137578,0.00045464664847462,0.00276684960357412,0.7783386418997]
["POS07446","(2-{[2-(9-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl)propan-2-yl]oxy}-2-oxoethoxy)sulfonic acid",170.432,483.099577749422,0,4037.20453800728,4402.68558439756,0,3370.56562608374,260702.506886989,399251.261488298,283014.371727391,425323.30287796,406710.523944619,2362.09114969772,355000.393385051,7.23161217574595,{"v":7.05508887611042e-06,"d":"7.06E-06"},0.000123754558991537,0.245719305628934]
["POS02989","(2-phthyl)methanol",36.1675,159.084086676815,188683.962223153,219093.153396297,352284.35833136,222573.847599943,279168.77092681,2744970.63791789,1643378.22576963,2356252.04808348,1344148.68193263,290489.752331741,252360.818495513,1675847.86920707,2.73133134923508,0.0103727814828392,0.0363047351899373,0.435612057019573]
["POS05701","(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine",268.115,274.169561008135,2491604.89684845,3040227.7589275,2942542.72080172,2801361.8158445,2257498.28326181,6906080.19753582,4026966.95102872,5674799.32478371,6844564.59252678,4380455.16233666,2706647.0951368,5566573.24564234,1.04028269031231,0.00169436577556105,0.0081154084983861,0.655097480665147]
["NEG04076","(3-{5-hydroxy-8,8-dimethyl-2-oxo-4-phenyl-2H,8H-pyrano[2,3-f]chromen-6-yl}-2-methyl-3-oxopropoxy)sulfonic acid",382.2015,485.090445127703,12408255.6007612,11781854.356462,12187988.5357983,10705463.1625148,15341345.9547732,4000007.19915587,4567144.21590771,3746935.31727099,4862285.47712587,4761760.21663051,12484981.5220619,4387626.48521819,-1.50868106533823,{"v":7.91949666476746e-06,"d":"7.92E-06"},0.00013367512672266,1.16209911482255]
["NEG02100","(3beta,5alpha,6alpha,7beta,14alpha,22E,24R)-5,6-Epoxyergosta-8,22-diene-3,7,14-triol",533.899,443.316250074485,69111.1815050733,162005.373619316,91136.1562846064,90223.2285385592,139623.359487583,260742.952573832,406171.550459068,282856.304769157,268272.414986038,289862.8334053,110419.859887028,301581.211238679,1.44954687470833,0.000318250292931786,0.00210929999607028,0.176911756136298]
["NEG05876","(3-hydroxy-16,17-dimethoxy-9-oxo-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[12.3.1.1nonadeca-1(17),2,4,6(19),14(18),15-hexaen-8-yl)oxidanesulfonic acid",35.5475,613.159995878628,0,0,0,0,0,199018.209411972,397206.754208537,201113.337678552,157932.955570917,290266.805587757,1,249107.612491547,17.9264095840766,0.000400076106671959,0.00250987436906546,0.198570453710791]
["NEG06327","(3-oxo-1-phenylpropoxy)sulfonic acid",30.4746,229.022598688511,146243.219956535,115790.829436908,155054.633810927,193407.7978996,104869.904383179,321716.359370959,375783.104699665,264180.894793672,257132.606729228,406979.714536248,143073.27709743,325158.536025954,1.18438906383114,0.00062483357213329,0.00356539910567406,0.166264602205974]
["POS02884","(3S,5S)-Carbapem-3-carboxylic acid",37.6448,156.064961951818,336384.989086575,471956.807086022,456682.483711341,198968.867353288,644017.802927453,2145468.76045316,2989617.34205107,2049421.83905721,2758807.91074506,2565993.76302578,421602.190032936,2501861.92306646,2.56904790358151,{"v":4.95629401434657e-06,"d":"4.96E-06"},{"v":9.9458057512367e-05,"d":"9.95E-05"},0.59937757240882]
["NEG05035","(6R)-2-Acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-2,4-cyclohexadien-1-one",192.2645,345.093865094129,0,0,0,0,0,334732.339445021,366888.500287332,428023.956589687,509362.396086094,418249.749422392,1,411451.388366105,18.6503624654582,{"v":7.34227249240907e-07,"d":"7.34E-07"},{"v":3.35122294474957e-05,"d":"3.35E-05"},0.268315838381851]
["POS06529","(E)-2-Methylgeranyl diphosphate",274.292,329.090711303111,0,0,0,0,0,108770.524879543,181906.357043676,62656.107845435,391722.603887336,166480.057869403,1,182307.130305079,17.4760114628825,0.0121101367936696,0.0414133347691775,0.155283243416844]
["NEG05816","(E)-4-(Trimethylammonio)but-2-enoate",36.66705,142.085939057907,162056.440042015,333920.530267443,303804.723446898,64906.0149520867,361654.017291619,0,6057.77023662325,0,998.579905527404,2759.34015158515,245268.345200012,1963.13805874716,-6.96505560403178,0.00264915415704881,0.0116287208483605,0.183242545513749]
["POS03480","(R)-(E)-Sulforaphene",25.1107,176.021682041223,251298.242755253,309805.740130378,271172.376297758,303689.702352431,127144.451013338,413562.052017772,650809.579611147,495735.18066302,611433.406060529,471485.721508809,252622.102509832,528605.187972255,1.06520971484049,0.00107495350967516,0.00553947816679377,0.20321551328878]
["NEG06081","(R)-4'-Phosphopantothenoyl-L-cysteine",32.3785,401.07523048339,497231651.789525,422926162.938439,268435267.321689,659492.015278734,320044922.292489,1458611.69462996,884462.526731701,1220969.21857352,1010774.29050346,1821524.87950973,301859499.271484,1279268.5219896701,-7.88241427039985,0.00773009810732317,0.0281340348527718,6.25378368614779]
["NEG06499","(R)-S-Lactoylglutathione",28.06875,378.097294292677,134795.24600307,137616.424329169,133292.826178194,96054.9033164231,143002.385978681,1002675.31358293,1074315.20560286,682298.711773542,838750.190732145,1090926.05830657,128952.357161107,937793.095999609,2.86243151317757,{"v":6.69309646683436e-06,"d":"6.69E-06"},0.000120796073607632,0.371189882887283]
["NEG06048","(S)-cis-N-Methylcadine",32.637,353.167481903454,1019315.10722594,471154.784486682,1162292.64180009,1474457.11759497,1107465.15953089,15516964.4035184,34841670.1721661,30226098.7417841,27147921.0096511,18285336.4065712,1046936.96212771,25203598.1467382,4.58938322936239,0.000161250483874587,0.00124572265003632,1.98504261675013]
["NEG00375","(S)-Malate",676.6475,133.012807850824,62977087.5974624,67032846.1769175,49004455.4690958,65274063.3604882,51992412.8474534,13783587.5850256,27336101.4503362,16776645.8144346,14183445.3400857,28692324.672386,59256173.0902835,20154420.9724536,-1.55586912070814,{"v":4.45702546536396e-05,"d":"4.46E-05"},0.000459361172962512,2.56159895596094]
["NEG06083","(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine",32.3775,353.084060014961,0,0,0,0,0,877100.486068585,2019692.02304787,1937349.11577162,1825008.14439633,1002356.79463172,1,1532301.31278322,20.5472685870278,0.000242451179216477,0.00170248685186076,0.498515941016946]
["NEG06222","(S)-Norcoclaurine",31.3086,270.107859870351,1826431.62686534,2116830.71711825,2751384.48662998,988183.147103838,1904095.48714417,774143.256877255,748304.161247707,554777.593972203,896585.267442986,501160.59832728,1917385.09297232,694994.175573486,-1.46406732856934,0.00309911370078417,0.0132653929029738,0.41976546515664]
["POS06516","(S)-Scoulerine",179.57,328.160338917509,636767.387465979,801297.85939967,720245.028995933,511167.84256601,671978.642235187,131398.231567933,214358.469663703,143960.041345438,329798.875643004,289851.324508279,668291.352132556,221873.388545671,-1.5907405641239,{"v":9.1525396463112e-05,"d":"9.15E-05"},0.00079463993831969,0.26780024302766]
["POS05068","(x)-1,2-Propanediol 1-O-b-D-glucopyranoside",318.6545,239.109884532659,0,0,0,0,12003.8606615608,100761.254687424,147452.40046226,150364.750673931,354713.453622207,71092.0583719218,2400.77213231216,164876.783563549,6.10174597814033,0.0114678224304063,0.0394278014844023,0.147733151714656]
["POS00281","(Z)-2-tetracos-15-enamidoethanesulfonic acid",450.496,496.338321803556,12406838.5793956,16807469.0495861,13119450.8500099,10956946.4723472,12962212.5418059,25263906.3942795,35671042.1266499,28714022.8026227,42691665.9958954,31921036.7872059,13250583.4986289,32852334.8213307,1.30994001563592,0.000255712641912366,0.00177333743763413,1.78938825202304]
["NEG05807","(Z)-N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4'-(tri-acetylrhamnoside)",36.7735,482.144518084987,108124.38726145,121692.671879418,80426.1800016097,12828.5242791552,122765.731725239,240918.61100758,239683.953862328,195460.060405683,290155.312759936,232763.381678228,89167.4990293744,239796.263942751,1.42721932339274,0.000358680094661795,0.00229294115586214,0.158126888857501]
["NEG06389","[(3-methyl-2-oxo-4-phenylbut-3-en-1-yl)oxy]sulfonic acid",30.1915,255.038467057767,18852285.2799663,18482070.9374943,18987298.7226052,18848089.2631317,18356725.9418894,1312044.12800723,2153454.67268711,1314474.30093623,1531334.95544234,1990037.80817788,18705294.0290174,1660269.17305016,-3.49395757958789,{"v":6.4827653838373e-13,"d":"6.48E-13"},{"v":2.89974095619043e-09,"d":"2.90E-09"},1.74157011203285]
["NEG05186","[(3-oxo-1,7-diphenylhept-4-en-1-yl)oxy]sulfonic acid",178.062,359.09542049771,172939.643150193,176708.537345958,157171.797759257,188462.816031402,110773.93677177,6641.38053694317,31290.1120637335,10955.8261577034,25186.4691677496,21399.3726505549,161211.346211716,19094.6321153369,-3.07771425590978,{"v":8.91654748290567e-06,"d":"8.92E-06"},0.00014609420106607,0.157634354713817]
["NEG04869","[2-hydroxy-6-methoxy-4-(3-oxobut-1-en-1-yl)phenyl]oxidanesulfonic acid",215.048,287.02826959253,1806.273296169,2102.55319842218,1856.94266974633,997.823417303049,2837.46500663079,38550.0155252868,67898.1488584251,57948.1343396968,124316.322416103,25699.6803671566,1920.21151765427,62882.4603013337,5.03332052227332,0.00719006523320305,0.0264700920066808,0.0919658960844384]
["POS06197","[Nitrilotris(methylene)]trisphosphonic acid",28.43815,299.975020854214,96288.7722894069,98447.5322865739,106500.441005045,95613.8701952376,83341.6786107232,367011.060746071,499369.097937375,363699.856381415,457440.289453018,424679.391316007,96038.4588773973,422439.939166777,2.13706208128444,{"v":1.71097407046377e-06,"d":"1.71E-06"},{"v":5.58626789575505e-05,"d":"5.59E-05"},0.23679922051671]
["NEG06307","{3,5,6-trihydroxy-2-[3-(sulfooxy)phenyl]-7H-chromen-7-ylidene}oxidanium",30.4869,365.99712390282,42345.6446257508,51176.3595553071,26550.5502888985,42983.819809457,14661.7199201276,1120334.89381478,1500172.45230432,882992.60796148,1361041.89683322,1333511.98325577,35543.6188399082,1239610.76683391,5.12415280514551,{"v":3.77514788889189e-06,"d":"3.78E-06"},{"v":8.40111269005643e-05,"d":"8.40E-05"},0.453393926646368]
["NEG06214","{4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)propanoyl]phenyl}oxidanesulfonic acid",31.3687,403.082999727434,42940699.2222198,41451442.2050198,32858115.511509,16538055.7739289,41718925.9443005,329037.942651793,4564874.38904521,5242268.26603593,8840358.2280867,3716533.9624404,35101447.7313956,4538614.55765201,-2.95120665701735,0.000352675030241764,0.0022665451297003,2.15888901501488]
["POS02850","1-(2-Thienyl)-1-butanone",37.09885,155.055808869836,719284.532916223,739619.215510856,877347.053941386,710909.587385595,745656.255395524,1664134.71709374,2128269.46210466,1950336.13757784,1398762.89384468,2306795.97657908,758563.329029917,1889659.83744,1.31678501983595,0.000130649909649428,0.00106334560906138,0.431917497802043]
["POS01037","1-(Methylthio)-1-butene",32.0433,103.058358598408,309915.105441128,382422.477910886,197742.459119582,388221.244360648,376475.991681916,1026797.72824426,1293902.95849456,1296557.5339127,1381702.26396032,1485709.50764833,330955.455702832,1296933.99845203,1.97039610354924,{"v":3.03392479206934e-06,"d":"3.03E-06"},{"v":7.50643737872289e-05,"d":"7.51E-05"},0.410615742685658]
["NEG00176","1,1-Diethyl-2-hydroxy-2-nitrosohydrazine",704.419,131.069908284067,6798718.18753992,7278467.03107019,7290146.57276921,7011475.88569822,6422092.22110879,3124852.29244591,3060476.66107402,3188139.48031348,3517779.92984953,3576968.21741315,6960179.97963727,3293643.31621922,-1.07944028500633,{"v":6.35924715561677e-08,"d":"6.36E-08"},{"v":7.86426778115073e-06,"d":"7.86E-06"},0.804023555110572]
["NEG05033","1,2-Bis(4-nitrophenyl)ethane",192.2735,271.069648899986,5002.57631241134,4275.84643410015,7101.67269734766,4042.20451950464,11972.2975292593,1592006.07893193,1572577.14002916,1489365.77218194,1568846.12663636,1329580.36173111,6478.91949852462,1510475.0959021,7.86503345012545,{"v":1.2796392655678e-09,"d":"1.28E-09"},{"v":7.15478304360597e-07,"d":"7.15E-07"},0.514831874154842]
["NEG04745","1,2-Dehydrosalsolinol",253.249,176.070575759256,5677.49003022978,7359.7976320875,10499.8954691528,1235.68696715487,2878.16527404523,233446.050945796,217132.671479575,145895.754512933,356315.860304192,125624.430588179,5530.20707453404,215682.953566135,5.28543484570804,0.000859986011811743,0.0046290221791022,0.179552027136497]
["POS04589","1,2-Dihydroxydibenzothiophene",41.5542,217.031241962056,125998.380984416,341755.38274588,238386.45549236,299126.515427554,87020.7978449056,1747155.47717934,4460794.68907316,3701724.79585468,3880379.72768602,4739661.26711432,218457.506499023,3705943.1913815,4.08441618165523,0.000166205949002625,0.00126866759366679,0.757652163460949]
["POS00333","1,2-Dihydroxytacrine",229.081,231.111998493502,0,19615.1318808774,5762.36388300238,0,0,15550093.576014,22640645.9648571,22851512.5910456,43354794.3521234,16346780.1582719,5075.49915277596,24148765.3284624,12.2161120968564,0.00136898850002224,0.00681710026531839,1.92215503291255]
["POS06909","1,2-O-Diacetylzephyranthine",35.03365,374.164473873518,799708.894962922,1417666.75230893,1035259.73703693,1061538.12581222,738727.163127225,197518.692047105,101266.42787048,161549.726709291,200126.127573232,189754.8531882,1010580.13464965,170043.165477662,-2.57121079947938,0.00012071220898433,0.000998051221417576,0.371218568331186]
["NEG01668","1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol",560.6695,640.542146005705,4244.78572549976,4704.997390354,0,4827.80326548174,0,42318.5259622508,63289.7943165983,40302.4466159465,84820.1333200481,89736.9780973131,2755.5172762671,64093.5756624314,4.53978467982209,0.000357221627212399,0.00228918673140553,0.0991949232123686]
["POS00200","1,5-Naphthalenediamine",203.808,159.091118243671,1157014.2828975,639978.246006747,786571.113341731,1017649.04055544,994487.403914763,57574910.1033677,71894099.9544875,72502744.4750507,93927491.9484587,63448248.9695498,919140.017343236,71869499.0901829,6.28895116925987,{"v":2.97947770438087e-06,"d":"2.98E-06"},{"v":7.44536523558416e-05,"d":"7.45E-05"},3.50017823251566]
["NEG05567","1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid",46.0757,272.098837906549,166440.941987893,201361.357347862,170375.781037353,314261.0800278,236038.872073482,449033.369402345,656954.966865398,514328.255503413,719997.271313917,709349.165253899,217695.606494878,609932.605667794,1.48633754976636,0.000198955581742402,0.00146369789002263,0.252041401553367]
["NEG05185","10-(beta-Dimethylaminopropionyl)phenothiazine",178.429,297.103260016583,524957.994147604,550048.892643096,515811.510949631,559188.407684779,435873.473570581,76850.7149606402,120799.199277363,94090.6682271451,128444.782533901,121684.789288655,517176.055799138,108374.030857541,-2.25463639074239,{"v":1.3995318812788e-07,"d":"1.40E-07"},{"v":1.18722846863806e-05,"d":"1.19E-05"},0.269122731542384]
["POS06448","11beta-Chloromethylestradiol",291.111,321.158635233538,66934.8076633016,136099.422023149,88922.3745241313,75199.8540029225,51364.7158234943,402733.754150052,491499.170667822,210219.727197884,317351.147856327,521189.886254299,83704.2348073997,388598.737225277,2.21490869350843,0.000848394660174157,0.00458317550115822,0.21685806964172]
["NEG06195","11-Deoxytetrodotoxin",31.6249,302.100621251725,4395796.41096259,2780191.87583609,2741849.40190364,5093833.38934665,2894316.93242227,2114893.27398928,1436844.85677628,1072247.99412168,1004817.8336932,1553862.53736716,3581197.60209425,1436533.29918952,-1.31785069010914,0.00360012203334478,0.0150354725481596,0.577651815945273]
["POS07432","11-O-Demethylpradinone II",36.07805,481.0787031058,169022.20065189,241299.315793586,210267.365328957,153385.778335984,405503.892045531,639291.541163528,438528.23625163,836990.104555834,582563.5659917,614432.708761552,235895.71043119,622361.231344849,1.39960300893935,0.00113857632086006,0.00583310725444784,0.250735319646678]
["NEG06465","12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione",28.6061,407.12378232311,13715.3689482074,0,0,0,36145.5235576026,232254.211299332,300308.035284631,258525.41649372,259761.114602233,330789.817520633,9972.178501162,276327.71904011,4.79232777190961,{"v":6.00512374439564e-07,"d":"6.01E-07"},{"v":3.00821407070597e-05,"d":"3.01E-05"},0.216279836142785]
["NEG02316","12alpha-Hydroxyamoorstatin",528.552,531.230948375601,1632516.48980527,2072691.3949579,1786610.8266141,1362398.8940429,2010697.14239974,141190.63353335,140989.188458513,120917.423982259,73227.9929692346,66605.0122048841,1772982.94956398,108586.050229648,-4.02926798134179,{"v":1.33819430065598e-06,"d":"1.34E-06"},{"v":4.94678883750627e-05,"d":"4.95E-05"},0.530298972104026]
["NEG02456","12-O-Tetradecanoylphorbol 13-acetate",525.087,615.402808552219,555777.857923088,219928.814187368,283931.812827078,344376.041708262,189876.516738549,199831.288002112,24734.2226459184,21507.1582297109,19864.0943257754,53840.787049748,318778.208676869,63955.5100506529,-2.31741244752747,0.00852620948479918,0.0305346157129758,0.192936422969819]
["POS07213","13,14-bis(acetyloxy)-9-oxo-8,17-dioxatetracyclo[8.7.0.0,.0,]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-5-yl 2-hydroxyacetate",39.6768,427.074528947568,596148.595036815,742561.151597826,544889.62870627,746709.855033607,359666.8544035,124759.857364605,199561.335527106,282412.428050914,251473.239701731,143896.003849176,597995.216955604,200420.572898706,-1.57710333830797,0.000914188673074315,0.00486805468412073,0.251589747101503]
["NEG05930","13-Deoxycarminomycin",34.75775,498.18354267346,0,0,0,18716.2417359631,0,147493.342640165,414976.239620114,377761.491326706,546396.199808741,366943.755247285,3743.24834719262,370714.205728602,6.62987282236236,0.000456129957266718,0.00276834368908281,0.242227874574343]
["NEG05382","16alpha-Bromo-17beta-estradiol",158.2765,349.076316749659,17640.082635552,9773.86651290244,37809.884831575,23579.8205910122,29772.8249090368,57437.5140952049,96856.4386879722,61872.9941495859,54892.865939526,74634.3554984312,23715.2958960157,69138.833674144,1.54367839745359,0.00106708751922,0.00551751142224181,0.0829639769479217]
["NEG06045","1alpha,5alpha-Dimercaptoandrostane-3alpha,17beta-diol",32.63975,355.172328390936,43379.4292715389,0,0,0,0,1176710.6875723,391076.986196934,474338.942201773,357111.241651227,930846.193646314,8675.88585430778,666016.81025371,6.26240370904578,0.00395144390294213,0.0161266501622811,0.307700887794864]
["POS00161","1-Amino-1-cyclopentanecarboxylic acid",37.64375,130.085922894,71129402.9079284,56311346.6204439,55913279.8054931,64244812.967608,51155376.8652774,5135622.89955441,6227328.97662299,4577373.40171227,5521329.91764554,6687439.67313183,59750843.8333502,5629818.97373341,-3.4077986492986,{"v":3.44484528309634e-07,"d":"3.44E-07"},{"v":2.33466559868029e-05,"d":"2.33E-05"},3.09674807360172]
["NEG04157","1-Dehydro-9-fluoro-11-oxotestololactone",371.379,331.141988895285,11551.5981619414,10954.8137531058,4944.87378278995,7789.64752262246,7347.72744076842,21834.1846153822,25024.4347671511,13222.6328284072,32726.1796377903,22394.1971401059,8517.73213224561,23040.3257977673,1.43561985162323,0.00253943834459757,0.011213136935227,0.0462645456271516]
["POS05716","1-Deoxy-D-altro-heptulose 7-phosphate",33.40305,275.051635039745,2676804.48852631,4196889.08237192,3564056.33080926,2967717.68932695,2396621.67200163,1276539.67157744,914716.108643031,1543024.88920783,2383479.23998986,992162.778374786,3160417.85260721,1421984.53755859,-1.1522095386087,0.00316846717492742,0.0135363454378704,0.503192223163139]
["NEG00562","1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1'-myo-inositol",674.737,835.534020013962,810370105.465951,624362570.602301,542218054.356036,885875815.349513,593575640.332833,339635528.711268,316722800.010182,237181452.860381,295586255.546236,223190930.314695,691280437.221327,282463393.488552,-1.29120718874168,0.000393242483922762,0.00247394322164067,8.25552066038028]
["NEG02601","1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate",517.909,753.456054902771,46143075.8788204,33060589.7068168,45302086.8023533,60894225.1485195,42730058.4417712,15908761.0638392,11236383.8990359,6593359.10673564,9733189.31474399,8415912.56550998,45626007.1956562,10377521.1899729,-2.13639452897433,{"v":7.37847900714355e-05,"d":"7.38E-05"},0.000665401947559538,2.4723456945257]
["POS01610","1-Hexanethiol",38.9286,119.089419603692,2699585.99015914,3149384.60863282,3504957.29803736,2805708.62919685,2550324.38369264,14645054.7196272,18695915.8041026,14000333.2828993,20118284.0132383,18805213.0317196,2941992.18194376,17252960.1703174,2.55197859511137,{"v":2.85607149326004e-06,"d":"2.86E-06"},{"v":7.38484821195406e-05,"d":"7.38E-05"},1.56841356424591]
["NEG00624","1-Hydroxypyrene",673.697,217.071015584739,121691.508594391,174612.390607282,160751.02219979,119566.049156334,131401.597338622,229931.398024939,268835.965329504,251237.210254641,425075.442041822,284176.537206212,141604.513579284,291851.310571424,1.04336629532139,0.0032259652176957,0.0137557125059608,0.149396402080036]
["POS00053","1-Naphthylamine",291.112,144.080303401994,762498.081778083,167983.586545403,209095.867023404,726638.55515133,130724.987202435,101876652.136926,125800528.168124,75103027.2363814,104207917.599466,138591505.534418,399388.215540131,109115926.135063,8.09385420698584,{"v":8.71965015647179e-06,"d":"8.72E-06"},0.000143393364521685,4.29895403454845]
["NEG05894","1-O-Galloylglycerol",35.1004,243.054659199135,762390.533694815,517750.195406766,386228.374222821,1328027.44691857,1533889.82247661,2902944.46807964,3259567.15129866,3086331.79489351,3193559.18118008,3028429.38101496,905657.274543916,3094166.39529337,1.77251367938652,{"v":1.38146077779002e-05,"d":"1.38E-05"},0.000192368777823571,0.611187983176262]
["NEG05144","1-O-Vanilloyl-beta-D-glucose",182.768,329.084876959705,4596480.34226839,5302158.04494214,3618277.86035652,6412128.48428992,3505881.55568534,825531.040450037,786186.397284632,1033192.6768955,1656425.46511033,836652.748135721,4686985.25750846,1027597.66557524,-2.18938473901524,0.000197602589712164,0.00145613901776361,0.780430755235328]
["POS01536","1-Propenyl propyl sulfide",35.64515,117.073831574059,2540289.53718755,2373113.12656504,2334527.70916468,2097352.21085006,2306607.50584666,8248476.01460111,14180484.6691892,10443847.2321355,9889083.40245873,11220834.7294551,2330378.0179228,10796545.2095679,2.21193383466337,{"v":2.48454722592436e-05,"d":"2.48E-05"},0.000297945837575327,1.19470796036896]
["POS06174","1-Pyrenylsulfate",204.9335,299.034058019468,0,0,0,0,5990.03729715672,2199051.09487308,1518993.15235784,2189992.14137894,1324921.83069838,1293308.50229442,1198.00745943134,1705253.34432053,10.4751334855231,{"v":3.13401144087098e-05,"d":"3.13E-05"},0.000357613091199385,0.535495732659503]
["POS00018","1-Pyrroline",29.253,70.0652143942574,17041.3947887959,0,3919.26124462324,9671.16428137837,14743.5838086997,467070.703500146,1147653.32452545,724654.546198674,812113.678031383,652014.03067064,9075.08082469944,760701.256585259,6.38927568585104,0.000153147963287072,0.00120582088579388,0.349637422665261]
["POS07595","1-Stearoylglycerophosphocholine",495.697,525.373093408163,136254.611026208,182944.829078156,161463.892189445,137123.802651721,193227.349966899,1434847.53636107,1987541.8842825,1705498.67367711,2389566.07021691,1746779.82131306,162202.896982486,1852846.79717013,3.51387210513136,{"v":5.80863558462049e-06,"d":"5.81E-06"},0.000108258445708364,0.538953191736521]
["NEG03328","1-Stearoylglycerophosphoglycerol",448.537,511.303521004739,69816.1099998212,88006.7172539357,96585.2107657664,68306.3250093742,56006.6548875928,131919.036509083,255844.97705301,135714.67420525,252146.088727689,205132.680836316,75744.2035832981,196151.49146627,1.37276091125619,0.00258707231708431,0.0113959252397164,0.132696103644714]
["NEG06021","2-(2,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one",33.8947,431.140141404274,782545.635331675,1241497.02187817,1443169.9499257,1463750.39047612,1118442.18385761,742298.566481015,603454.541666839,484325.424352883,581892.74428505,605397.637911242,1209881.03629385,603473.782939406,-1.00350219729679,0.00171348782139738,0.00819725243327322,0.308345273460862]
["NEG05995","2-(2,4-dihydroxy-5-methoxyphenyl)-3-(3,7-dimethylocta-2,6-dien-1-yl)-5-hydroxy-8,8-dimethyl-4H,8H-pyrano[3,2-g]chromen-4-one",34.2518,517.225507996797,157224.79402182,42981.5827254595,19945.8686652215,0,50830.4385444197,142476.378171871,242920.483630835,211102.349042049,196794.999998223,147514.454740236,54196.5367913841,188161.733116643,1.79570068360183,0.00383646194171243,0.0157531920623496,0.140234026964088]
["POS06227","2-(3,5-Dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-carboxylic acid",290.852,302.033700805228,0,0,9055.58403492269,0,6044.82230290454,416276.106526205,334144.353788753,196778.291718953,217538.512040637,360957.979921026,3020.08126756545,305139.048799115,6.6587356322744,{"v":9.79410604811565e-05,"d":"9.79E-05"},0.000840404984714013,0.221944372202804]
["POS06165","2-(4-Methyl-5-thiazolyl)ethyl decanoate",26.84705,298.18627773536,211458.765414177,352969.42338684,259933.653856404,340683.550745661,212524.378782135,33806.4198313748,80546.4946962769,29008.5427664471,55846.0673784269,108962.621631421,275513.954437043,61634.0292607893,-2.16032637735021,0.000232066109700702,0.00165028888504172,0.187045333458776]
["NEG05451","2-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)propanedioic acid",99.60015,279.038598343197,688964.94277202,1151837.28522206,864007.957320034,577476.169854989,711553.279730047,47191.8941302654,177119.508181135,63677.5642004621,152259.34855276,137365.047410241,798767.92697983,115522.672494973,-2.78960038229618,0.000159237557793271,0.00123443604161058,0.329609554049526]
["NEG05207","2-(6'-Methylthio)hexylmalic acid",174.8055,263.09686005518,93516.0928466185,114149.034401684,80372.4885684223,93094.2094829931,49828.238276877,19772.1012560622,32585.5980550989,16461.0251251975,34921.5608581662,39043.5037269123,86192.012715319,28556.7578042874,-1.59372199105039,0.0010182890083653,0.0053148269946534,0.0952785350246462]
["NEG00652","2-(Hydroxymethyl)-3-(acetamidomethylene)succite",673.3225,216.050533978738,56570.1582418609,86425.8571924001,64763.3754075549,54784.0021929822,63408.2884872228,164780.234592362,276183.751139472,259215.762977415,270107.317315534,355241.645897331,65190.3363044042,265105.742384423,2.02383789741581,0.000191190009227897,0.00141120942454848,0.182144011832858]
["POS06002","2-(hydroxymethyl)-6-(2,4,6-trihydroxyphenyl)oxane-3,4,5-triol",34.3165,289.090655482472,5277859.72822788,6806540.07166898,5502281.19829863,5764616.01305505,4432917.91343384,2423498.12248302,2255925.33165583,2547215.55579857,3606750.95937233,1820971.20596834,5556842.98493688,2530872.23505562,-1.13463079750956,0.000247429377348467,0.00172266160713699,0.701505193244895]
["NEG04635","2,2'-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol",274.3215,328.108936580631,0,828.965249456375,0,0,0,76352.3748523729,93005.7123643712,75797.9179039917,106643.266035832,66872.0106562803,165.793049891275,83734.2563625696,8.98029062177503,{"v":2.5305351569399e-06,"d":"2.53E-06"},{"v":6.77789446526478e-05,"d":"6.78E-05"},0.119800125626601]
["NEG06165","2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate",32.0655,325.124908639883,280263.255024224,343339.2318401,177881.251009021,437905.493779653,242113.153587441,5235721.71913649,5508170.39984006,4050917.53314549,4858167.06843333,7684478.71343747,296300.477048088,5467491.08679857,4.20574610919436,{"v":2.79524881784397e-05,"d":"2.80E-05"},0.000323915750316479,0.93340543507002]
["NEG06284","2,3,4,5-Tetrahydrodipicolite",30.5445,170.042252375649,443481.132897107,354115.38852543,334659.871887739,384859.65693385,346132.393049996,8271511.49529792,9336061.66264918,6265865.32761508,9777506.25231981,9540040.95821567,372649.688658824,8638197.13921953,4.53483828238997,{"v":1.32643578783971e-06,"d":"1.33E-06"},{"v":4.94428939917252e-05,"d":"4.94E-05"},1.19361619071209]
["NEG04808","2,3-Dihydrothiemycin",232.2885,273.087975387417,2078.69518364471,2644.71819097634,2571.11724969186,7687.01369469177,10665.9191606929,38129.5155791848,58471.6965113154,53715.7432219626,87603.6965619538,41844.5190556081,5129.49269593952,55953.0341860049,3.44732831064495,0.000453454450016571,0.0027633538895424,0.0900287932277683]
["NEG03363","2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile",442.904,281.108049457409,125216.645548772,184840.904348916,159287.556354625,128355.449462215,170862.185409036,1137156.24878684,1257164.01590781,1026814.00068656,1086691.9951886,1424753.28578317,153712.548224713,1186515.9092706,2.94842459645467,{"v":5.19134123616219e-07,"d":"5.19E-07"},{"v":2.85776753299112e-05,"d":"2.86E-05"},0.424835138648852]
["NEG05797","2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose",36.87525,245.113758812481,2275508.22624262,2654628.44447379,2327229.57168615,2197075.52941962,2283671.78931923,332740.642165426,627187.143093805,355119.067177796,410545.879423687,502098.919218905,2347622.71222828,445538.330215924,-2.39757911169683,{"v":4.44375004287746e-08,"d":"4.44E-08"},{"v":6.85410135923823e-06,"d":"6.85E-06"},0.57600257449251]
["NEG04439","2,5-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one",314.759,354.088199616097,0,1328.65055944395,0,0,1195.77833397019,245945.264366858,297098.923755926,243020.189453677,401241.456643112,310245.047582525,504.885778682828,299510.17636042,9.21243226549162,{"v":6.32980865007579e-06,"d":"6.33E-06"},0.000115564220782812,0.226303625743909]
["POS04821","2,5-Dichloro-4-oxohex-2-enedioate",27.9102,226.950733929188,282986.214494958,401667.697965551,705875.096818592,273766.4696544,594786.032523371,1065233.4799723,1095476.56894765,1513699.46828161,1637689.95885854,913267.951922141,451816.302291374,1245073.48559645,1.46242266259865,0.00129991348125184,0.00654787500184624,0.352105061721155]
["POS06431","2,6-Dichlorophenol-4-(1,4-phthoquinone imine)",28.7309,320.020660529344,0,5426.7069133362,5928.34987622665,9435.3459473016,0,227942.789617849,283554.749969059,297001.722136009,235256.310214048,192007.29029034,4158.08054737289,247152.572445461,5.89334040704911,{"v":1.46959168210738e-06,"d":"1.47E-06"},{"v":5.21705047148121e-05,"d":"5.22E-05"},0.20501500907035]
["POS06055","2,7-Anhydro-alpha-N-acetylneuraminic acid",31.9351,292.101532283842,131555.589538195,121380.123897101,51673.443450239,0,85408.6936622279,1360024.6176833,2259715.1659161,1662361.48068193,2299327.82415535,1787145.98874444,78003.5701095526,1873715.01543622,4.58621757577628,{"v":9.13652087354098e-06,"d":"9.14E-06"},0.000148500568321105,0.55393720535161]
["NEG06223","2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-(3,5-dihydroxy-7-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate",31.30775,512.069916494395,1414070.24297316,1408517.11078469,1223013.70170207,1538395.90693821,975625.820370231,386974.333079491,318630.808093197,202842.798351361,347363.972355954,379165.145845592,1311924.55655367,326995.411545119,-2.00434246197886,{"v":1.22818400371508e-05,"d":"1.23E-05"},0.000177911176038951,0.414706969103765]
["NEG04708","2-[4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy]acetaldehyde",267.802,375.117902327739,0,0,0,0,0,84001.4126894272,126806.449948144,107912.380649886,140327.548000332,118725.577780005,1,115554.673813559,16.81821608778,{"v":1.93088576937351e-06,"d":"1.93E-06"},{"v":5.91565208658062e-05,"d":"5.92E-05"},0.141483088200141]
["NEG06493","2-{[hydroxy(6-hydroxy-2H-1,3-benzodioxol-5-yl)methylidene]amino}acetic acid",28.0783,238.038379740662,17180.2585655984,8923.34601569615,0,34907.6410757449,54747.567139475,79903.9003132296,148137.64249489,95385.180558529,154137.427319417,132211.079094715,23151.7625593029,121955.045956156,2.39715551553267,0.000506364476293379,0.00299598981806916,0.125693177199595]
["POS07500","25-Hydroxy-24-epi-brassinolide",450.499,497.341732069992,2952691.1137369,3889792.12049512,3183169.96134219,2555289.65617035,2983451.30951532,6613547.41872664,9165585.141576,7766301.20058992,11074753.4598637,8427268.91296638,3112878.83225198,8609491.22674453,1.46767856336621,0.000104694633166838,0.000883583196519371,0.956362054570795]
["NEG04213","28-Hydroxywithanolide E",362.809,501.258033405742,46160.0179355906,42478.4100554256,51328.7106581401,41556.0650370751,34988.57077926,2874.01688277111,7435.75540539405,0,2403.60000188318,5862.98547527999,43302.3548930983,3715.27155306567,-3.54290591672839,{"v":1.03904804135275e-06,"d":"1.04E-06"},{"v":4.14969811515254e-05,"d":"4.15E-05"},0.0836189952478086]
["POS07591","2-acetyl-1-alkyl-sn-glycero-3-phosphocholine",454.775,524.360168429755,4952141.26652224,6081710.69141346,5886867.29367023,5085069.11265173,5023817.08064991,8399395.45530818,13382345.7481879,9553247.41262869,14160509.1861845,11564522.4747984,5405921.08898151,11412004.0554215,1.07793980680597,0.000679524390400253,0.0038005836630104,0.970410803292296]
["NEG04951","2-Amino-1,2-bis(p-chlorophenyl)ethanol",197.612,280.035487662806,966128.932328495,1089517.34898359,912883.133270978,959987.508230491,925830.556303533,428388.151487744,438675.380678023,391511.834267569,435484.010894015,422539.003539215,970869.495823417,423319.676173313,-1.19752983414314,{"v":1.53415178396182e-07,"d":"1.53E-07"},{"v":1.22171937513094e-05,"d":"1.22E-05"},0.308738885534599]
["NEG05823","2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-2,4-diphenylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid",36.6538,530.208621011352,6394209.63571767,8473994.7579115,7339001.80796084,5305482.42894915,8838726.97940138,17542.6555930349,20037.4735894063,24192.6590817019,12437.9105467928,34994.2115678627,7270283.12198811,21840.9820757597,-8.37883000872969,{"v":3.89762846398706e-06,"d":"3.90E-06"},{"v":8.62391635071897e-05,"d":"8.62E-05"},1.0994445836348]
["NEG05924","2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(4-{[8-(1,2-dihydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl]oxy}-3-methyl-4-oxobutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid",34.774,666.210649346716,2343693.32919262,2785697.25448057,2185720.18786915,2697344.32317713,1979122.63442596,509097.799119744,729646.020032424,450432.699673479,657364.75840423,812002.894567872,2398315.54582909,631708.83435955,-1.92468983293744,{"v":5.43017082933542e-06,"d":"5.43E-06"},0.000104245296650718,0.552945888874186]
["NEG05069","2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(4-{[8-(2-hydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl]oxy}-3-methyl-4-oxobutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid",192.248,650.212167009585,179646.453910456,325174.352386351,193128.366084383,410196.546249518,115409.482728749,523497.442442484,686101.806847015,442027.559977609,506414.327292252,569331.113263497,244711.040271891,545474.449964571,1.15643243140522,0.00208206468710733,0.00962094560478417,0.207798163531277]
["POS00232","2-Aminoacridone",371.882,211.085807870457,160250.776574547,105149.764925042,149401.233454809,97493.9160811759,150415.471828116,3302072.22866917,3557781.25409672,2382704.81055421,3749503.90080744,3517746.64382546,132542.232572738,3301961.7675906,4.63879938488046,{"v":1.06035029123099e-06,"d":"1.06E-06"},{"v":4.19729809971348e-05,"d":"4.20E-05"},0.739335599616718]
["POS06958","2'-Carboxy-4-[bis(2-chloroethyl)amino]-2-methylazobenzene",35.1605,380.08760330938,43862.5559384665,209459.035914957,285861.863941212,17895.9732526144,309010.613400422,817591.325344132,492790.09359628,474960.066971603,553914.82463084,779987.486513971,173218.008489534,623848.759411365,1.84860739011159,0.00143168360578581,0.00706055211541338,0.265820872878512]
["POS07533","2-Decarboxybetanin",164.345,508.169118257008,0,0,0,0,0,20530.6624434651,13027.6037267705,22407.920028466,26402.3684460192,8043.24128631486,1,18082.3591862071,14.1422952964729,0.000609575189187107,0.00349567925799222,0.0533764613348735]
["NEG06150","2-Dehydro-3-deoxy-D-arabino-heptote 7-phosphate",32.1158,287.010560012935,3047207.47737792,2484111.71058562,2805668.41763442,3264167.77395182,2737900.33526456,5018773.91252874,8275135.07169263,5206271.2911068,6584877.43011476,7460915.24741794,2867811.14296287,6509194.59057217,1.18252902401367,0.000481203384157581,0.00287757050446104,0.753960800724956]
["POS02627","2-Ethyl-1-hexanethiol",35.6732,147.120434114478,500470.854025802,496209.061912204,456063.586669181,593955.921898855,334874.505432237,4651770.02209643,5895486.66227925,4970195.02798786,4869751.84861066,11397899.2327319,476314.785987656,6357020.55874122,3.73836351481774,0.00175787204563934,0.00840060006425721,0.948395066176887]
["POS02118","2-Heptanethiol",94.05105,133.104898789705,2282423.09186361,1203618.66277762,1123219.94686695,1105184.07952594,1664367.85254913,3643822.90824451,5642729.55663265,2401853.66984887,3332196.00030341,5660657.82056584,1475762.72671665,4136251.99111906,1.48686329764013,0.00482438306645702,0.0190127448953852,0.615236496238625]
["POS05295","2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dienoate",28.688,251.055121047238,374685.359407255,490054.173144674,513211.865624488,452433.191858992,224391.224019521,65714.3447413805,42908.0467281497,7574.0097638858,376225.75569031,8995.81296172354,410955.162810986,100283.59397709,-2.03489539179837,0.00737591584159806,0.0270430094749739,0.211900024981187]
["POS05373","2-Hydroxyfelbamate",93.99355,255.094205228985,4123.49106470608,31975.6321262196,29491.6921918987,22805.6752214327,13270.0194198762,216892.825929591,332164.556899839,263507.280898935,434587.363160083,221241.519710254,20333.3020048267,293678.70931974,3.85232225486602,0.000163055389454162,0.00125102359696135,0.210830313764179]
["NEG01068","2-Hydroxytetracosanoic acid",643.341,383.352822428284,908280.133073669,701705.05320557,646423.041101145,891725.203663894,751521.134125502,434245.226998967,445151.587460848,251300.148694828,189260.468303664,249870.363720579,779930.913033956,313965.559035777,-1.31274002542915,0.000229737922003919,0.00163894374022892,0.278992752566929]
["NEG00046","2-Isopropylmalic acid",37.5957,175.059997935492,28318820.4399696,38861723.0289686,36961518.4284128,41669733.6641184,57437886.0644535,7845870.03039576,12007091.9685784,8111059.7995376,11969924.3819415,14167615.7034035,40649936.3251846,10820312.3767714,-1.90951094281891,0.000296841689985856,0.00200569921345428,2.15674840214666]
["NEG06230","2-Methyl-1-hydroxypropyl-ThPP",31.25375,496.096459687227,665240.265731038,786327.341294206,846487.303888076,723277.249865979,468964.190266651,203641.910506216,278769.616839522,165610.013081946,189375.377460818,294449.403717302,698059.27020919,226369.264321161,-1.62467144968139,0.000141550794940859,0.00112661335546346,0.28189492458154]
["NEG04983","2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate",196.188,180.029018391713,12903.1848122825,18275.7409900564,14092.1940125969,11640.8238833013,12804.1893302491,241765.97622427,122094.358394857,113154.899398424,138038.190107177,177760.978183517,13943.2266056972,158562.880461649,3.50741871656084,0.000280000987799477,0.00190921405248027,0.152070343410585]
["POS00119","2-methyl-3-Pyrimidin-2-yl-Propionic Acid",177.139,167.082925483117,1301645.43877995,4942512.92236053,3260063.59897597,1440622.82496048,2569085.96893539,7237671.79410377,8324746.74943304,6043559.72268718,9815258.50632061,9382282.96351867,2702786.15080246,8160703.94721265,1.59424623748608,0.00046709817151828,0.00281960880054152,0.941907010626857]
["NEG03599","2-O-Caffeoylglucarate",416.026,371.065487626249,7939.01474752983,34177.0910047566,13193.017207137,6529.21534451423,18828.8253440931,124811.119975872,166939.161912508,126655.105218295,276064.022987094,178028.428803192,16133.4327296062,174499.567779392,3.43509812280492,0.000474521377406286,0.00284511562829088,0.159277004803502]
["NEG05581","2-O-Caffeoyltartronic acid",45.6962,281.035728463241,166222.570073016,281525.115632361,212308.756054089,104022.708361642,246590.071086869,1979.10185205725,25555.0859661484,6081.02688299056,17335.7910343556,26139.2918900066,202133.844241595,15418.0595251117,-3.71261779118023,0.000347351251606273,0.00225501037508688,0.168354644816115]
["POS00136","2-Oxoarginine",37.0831,174.086791401664,5746878.69186988,6369070.29011422,6959545.81487812,4642520.62958232,7922312.69003632,9279167.70907112,23661395.0739902,20316292.2748267,15983552.7372198,16392240.2701396,6328065.62329617,17126529.6130495,1.43639637848291,0.00239796920551926,0.0106833827253861,1.28174143936181]
["NEG05038","2-phthylamine",192.257,142.06479194251,5233.76334145002,10743.712605848,9817.44318253476,8273.53962594701,8160.95504471759,2215306.94958131,2782063.82123147,2689273.84583185,3564218.56768758,2258026.49431681,8445.88276009948,2701777.9357298,8.32144516556364,{"v":3.95587371657373e-06,"d":"3.96E-06"},{"v":8.67383486972269e-05,"d":"8.67E-05"},0.680656364726029]
["POS06280","2-Protocatechoylphloroglucinolcarboxylate",165.448,307.042792601583,0,60266.0815629517,32017.690104111,10656.5484778353,3675.17755029423,50334.0855384555,153250.293115549,87999.0292467368,98637.4773310361,71853.8138705105,21323.0995390384,92414.9398204576,2.11570893251697,0.00861988956583322,0.0308207562174037,0.0990835299617505]
["NEG05166","2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole",181.19,267.092595353555,106523.717836897,126154.513605996,93055.3221065662,149405.9677759,84591.4244665065,14209.2522995335,11738.4683789515,19386.9482800534,46103.6363937841,13947.5131727275,111946.189158373,21077.16370501,-2.40905277148449,0.00013550945568089,0.00109410432357513,0.123386511242572]
["POS00046","2-Pyrrolidinone",32.1953,86.0603470006142,5128961.90481032,7100966.500511,6110514.76599068,7245153.21523509,4577805.19460807,5462165.19635085,14519509.7896262,11749114.5911473,15880366.7685373,16332037.7682603,6032680.31623103,12788638.8227844,1.08399167885039,0.0113719293626227,0.0391903111633008,0.954885441368056]
["NEG05916","2-trans-Hydroxycyclohexyl glyburide",34.8045,508.121325620989,0,0,0,0,0,32265.8384707206,87817.9942758307,85809.6849233697,106584.433323992,52670.740795874,1,73029.7383579574,16.1561964414194,0.000604848665202267,0.00347467885134367,0.107573576036979]
["POS05047","3-(3,4-dihydroxyphenyl)-N-(3-oxopropyl)propanimidic acid",318.665,238.106528299553,0,20113.2592762469,0,6096.62853791533,0,1513688.87923463,1706651.20384756,2035785.25910828,3315816.45985773,1386499.05500681,5241.97756283245,1991688.171411,8.56966489571868,0.000455925950787952,0.00276834368908281,0.562762092028919]
["POS08061","3-(3,5-dihydroxyphenyl)-4-(2-{3-[6-hydroxy-3-(3-hydroxyphenyl)-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl}ethenyl)-2-phenyl-2,3-dihydro-1-benzofuran-5,6-diol",34.8696,875.268634693667,2046956.93463921,1916081.80089145,1909255.36101255,1968197.03360619,1772694.14019329,775185.481693956,600632.916569106,549101.729136431,526938.625324882,593736.343480112,1922637.05406854,609119.019240897,-1.65829038632817,{"v":2.80812808405547e-08,"d":"2.81E-08"},{"v":6.31767876185511e-06,"d":"6.32E-06"},0.4834872706457]
["NEG05901","3,3'-Bisjuglone",35.0457,345.035548141999,0,0,23554.5501088846,0,63586.7192804143,187810.588733577,315053.19201802,275981.445344151,347899.652873198,431880.507833173,17428.2538778598,311725.077360424,4.16077428077032,0.000113951656412219,0.000947408474222778,0.222078820902546]
["POS05331","3,3'-Dichlorobenzidine",28.7194,253.027915687973,127664.302270184,165242.074631655,164035.651873329,119308.384108796,70445.6862410295,1774813.97974287,3023940.53035235,2660469.46336772,2706342.52701593,2458389.60666137,129339.219824999,2524791.22142805,4.28693237600312,{"v":3.03748080829162e-06,"d":"3.04E-06"},{"v":7.50643737872289e-05,"d":"7.51E-05"},0.643112742174517]
["NEG02525","3,4,5-trihydroxy-6-({11-methoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0icosa-1(12),2(9),4,10,14(19),15,17-heptaen-15-yl}oxy)oxane-2-carboxylic acid",522.0785,499.089498530469,36293.8853828176,80043.9675617698,24545.672071419,38803.8812349105,49079.6346072472,162347.239592266,147233.404887161,108406.819845977,204633.658467613,124173.743796929,45753.4081716328,149358.973317989,1.70683279686306,0.000632569004716915,0.00359746050665549,0.128308290149173]
["POS07532","3,4,5-trihydroxy-6-({1-hydroxy-2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid",35.03705,507.180281926127,735569.967666608,970865.537160633,739788.048542757,756681.577471605,651984.770576897,47217.648088175,98571.3380263005,40651.9662307758,223126.02755046,70009.1694325195,770977.9802837,95915.2298656462,-3.0068578398996,{"v":4.92587152339172e-06,"d":"4.93E-06"},{"v":9.9458057512367e-05,"d":"9.95E-05"},0.339781829766279]
["NEG06001","3,4,5-trihydroxy-6-({2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid",34.1791,489.18125079457,680480.536529785,1002326.07906448,879796.522988241,1145665.00913258,779044.793161937,0,0,0,0,0,897462.588175405,1,-19.7754922741204,{"v":4.25411767352778e-06,"d":"4.25E-06"},{"v":9.14839824696624e-05,"d":"9.15E-05"},0.395200771074897]
["POS07845","3,4,5-trihydroxy-6-({3-hydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl}oxy)oxane-2-carboxylic acid",34.8696,649.216443651643,2457746.5352826,3557166.6726806,2679782.99083089,2590209.66589519,2111076.75099085,361880.9726539,265151.80238676,267308.251934328,558064.159582738,344957.99927543,2679196.52313603,359472.637166631,-2.89784654602692,{"v":1.30256362032577e-05,"d":"1.30E-05"},0.000186145912898313,0.626568336325462]
["NEG05990","3,4,5-trihydroxy-6-({5-hydroxy-2-[5-hydroxy-13-(hydroxymethyl)-9,13-dimethyl-8-oxatetracyclo[7.4.1.0tetradeca-2(7),3,5-trien-4-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)oxane-2-carboxylic acid",34.25345,613.19748589011,0,0,0,16962.8153143725,0,343994.255803419,710537.794322473,471457.406580637,715300.820128769,493156.732625296,3392.5630628745,546889.401892119,7.33272966079774,{"v":6.94881886135267e-05,"d":"6.95E-05"},0.000639548698905978,0.299705153844306]
["NEG04012","3,4,5-trihydroxy-6-(2-hydroxyphenoxy)oxane-2-carboxylic acid",393.647,285.06660828854,23651.0596087551,30410.2190307217,26998.4870064258,14820.9568502398,20317.7488459485,116410.999293182,141831.943390833,101321.399003773,215366.277085967,146944.656015154,23239.6942684182,144375.054957782,2.63515850121026,0.000282927043406525,0.00192575725840996,0.139733194576345]
["NEG05114","3,4,5-trihydroxy-6-(2-oxoethoxy)oxane-2-carboxylic acid",189.81,235.043358088655,1474185.41445073,1196990.74160715,1178030.88227518,1427963.15145753,1414646.08996389,1385063.17446023,115162.285839961,107078.989078586,158408.091849407,81220.7572422982,1338363.2559509,369386.659694096,-1.85726607280317,0.00602962722029782,0.0228951804383634,0.374565770152218]
["POS06071","3,4,5-trihydroxy-6-[(4-hydroxy-2-methylbut-2-enoyl)oxy]oxane-2-carboxylic acid",91.89975,293.088701805028,0,0,0,0,0,46311.0695972239,88856.3034138319,60071.7753085815,96483.8281023778,0,1,58344.595284403,15.8323113985064,0.00955319186417618,0.0336467930775276,0.088301641035665]
["NEG04768","3,4,5-trihydroxy-6-{[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}oxane-2-carboxylic acid",246.813,309.087850393864,0,0,0,0,0,2590.18802082037,15117.3423371893,10291.7743895126,19039.787934444,5717.02083063909,1,10551.2227025211,13.3651225713399,0.00784805990611825,0.0284245926802161,0.0381649447933296]
["POS07512","3,4,5-trihydroxy-6-{[4-hydroxy-2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid",43.91865,501.130404871814,51708.5278719082,43692.3480990058,36733.741133099,49009.6943497617,26616.8361225423,243854.029425482,473478.84306889,253403.769061663,777284.05949755,275521.674639565,41552.2295152634,404708.47513863,3.28388526825152,0.00751988229212693,0.0274981751328737,0.223052586466098]
["NEG05105","3,4,5-trihydroxy-6-{[5-methoxy-2,2-dimethyl-6-(3-oxo-3-phenylprop-1-en-1-yl)-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid",190.97,511.156744696346,0,0,0,0,0,121753.087371098,118675.277633899,117919.279443557,93693.4529459008,87608.2874104721,1,107929.876960985,16.7197347588828,{"v":3.66257047569842e-07,"d":"3.66E-07"},{"v":2.40921731438221e-05,"d":"2.41E-05"},0.136950208216107]
["POS07497","3,4,5-trihydroxy-6-{3,4,8,9,10-pentahydroxy-6-oxo-6H-benzo[c]chromene-1-carbonyloxy}oxane-2-carboxylic acid",36.1848,497.05642712681,579438.373419471,1302222.93042299,1275904.83868668,1687898.64864334,1121003.74256072,3863719.88436665,3754888.75860503,2259072.0620956,3110963.66491044,2302508.90675604,1193293.70674664,3058230.65534675,1.35774804163351,0.00131862519469497,0.00662720280434897,0.524209289081606]
["POS00179","3,4-Dihydro-4-[(5-methyl-2-furanyl)methylene]-2H-pyrrole",291.1125,162.090763630832,218897.713043582,439874.192386424,475895.7288468,253797.47052705,357834.159564643,220769433.357523,272557108.879099,164079093.467874,226850416.701028,301056061.071613,349259.8528737,237062422.695427,9.40675046504581,{"v":8.05739823026394e-06,"d":"8.06E-06"},0.000134480381656607,6.34769312492092]
["NEG05113","3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid",189.819,234.040217781285,198030.921465905,165489.196740871,158070.554576395,216608.790056304,191132.622620586,759519.344556748,1211752.03269258,1238613.70195208,1575612.08664738,529276.298171951,185866.417092012,1062954.69280415,2.51574207659638,0.00153145663069775,0.00747839029378934,0.364708440702389]
["NEG06561","3,4-dihydroxy-5-[2,4,5-trihydroxy-3-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]benzoic acid",27.3191,489.040968019436,249555.67735637,353610.743677358,115796.733770007,297868.589706521,164468.931292144,32564.9285758549,44142.9757045553,5523.72488051254,26720.4586967843,111363.69605966,236260.13516048,44063.1567834734,-2.42273145807451,0.00341718465234316,0.0143791786923151,0.167138996622367]
["NEG05989","3,5,7-Trihydroxy-4'-methoxy-8-prenylflavone 3-[rhamnosyl-(1-&gt;6)-galactoside] 7-galactoside",34.2568,837.268435277449,2674140.75520009,2822115.57808088,1982336.01261968,3248294.66460361,1612751.52136443,269652.057152718,415165.404497937,158308.01797814,321037.732369523,438191.928929971,2467927.70637374,320471.028185658,-2.94503429121047,{"v":9.55227406819652e-05,"d":"9.55E-05"},0.000826447232244546,0.603697414635371]
["NEG05084","3',5'-Cyclic CMP",191.982,304.033698315227,0,819.981024350042,755.687414641577,0,0,166557.969535206,147003.540986701,177676.658621128,179776.737434209,163200.516775334,315.133687798324,166843.084670516,9.04831218871609,{"v":2.62401086699209e-09,"d":"2.62E-09"},{"v":1.10714607465999e-06,"d":"1.11E-06"},0.171808865268204]
["NEG05927","3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside)",34.7603,439.085855889616,16927427.0899039,20342963.3980184,21919344.910437,14973420.115697,20536128.4882591,7223512.31020317,9316739.35414708,7620536.27755909,10791872.3970973,8976328.64026883,18939856.8004631,8785797.79585509,-1.10818022152807,0.000105630441666571,0.000889802195055695,1.27702850252852]
["POS06676","3,7,4'-Tri-O-methylquercetin",45.2194,345.093194100243,1387606.58238159,1255913.78150502,535579.156804405,1242525.84123114,771556.431411582,233767.114207026,676263.479542344,265631.949027941,568023.994881804,460353.739425526,1038636.35866675,440808.055416928,-1.23646814126242,0.0118607707779537,0.0406226858267895,0.285244543719114]
["POS05770","3-[3,5-dihydroxy-4-(sulfooxy)phenyl]prop-2-enoic acid",27.62235,276.995245004478,0,16648.8807021866,7644.25728237952,0,0,312924.425727241,530714.636244606,467233.173956137,593483.298166069,439765.608546887,4858.62759691322,468824.228528188,6.59235446169295,{"v":9.79578274144018e-06,"d":"9.80E-06"},0.000154828749832021,0.281773437191238]
["NEG06197","3-[3-hydroxy-5-methoxy-4-(sulfooxy)phenyl]prop-2-enoic acid",31.6185,289.007910691194,190029.493405481,76888.9602536004,79999.4306070387,103902.406732632,95005.6721992108,312100.525988434,185621.717445118,139357.271499344,319985.783789336,372794.868263022,109165.192639593,265972.033397051,1.28476163049806,0.0123479128289232,0.0421298353041751,0.143435627602007]
["NEG05837","3-alpha(S)-Strictosidine",36.564,529.224440938658,995409.101972627,1142328.67522113,772899.065061387,730380.182221669,929234.078697728,214224.751311051,237900.990165767,172696.422568222,212042.651606878,475532.416522073,914050.220634908,262479.446434798,-1.80006897706295,0.000108744750521392,0.00091259900390654,0.321827212255612]
["NEG01232","3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholate",599.841,405.267486157997,3411605.16779478,3046163.62221459,2775781.1778301,3346851.85951597,3337036.66522936,7582384.07339387,7029177.68654768,5798818.1086538,5905900.2184089,6445783.96140115,3183487.69851696,6552412.80968108,1.04141806188103,{"v":1.35201078721176e-05,"d":"1.35E-05"},0.000190174347521956,0.752296887025838]
["NEG05717","3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole",37.5892,274.060731225776,38309.76777596,10733.7690377935,17534.2865865438,5340.32883984786,0,375239.144408827,436709.806044899,363619.725599656,542384.777798973,383966.080388118,14383.630448029,420383.906848095,4.86920767599682,{"v":2.04828707009131e-06,"d":"2.05E-06"},{"v":6.00866460168109e-05,"d":"6.01E-05"},0.264249578472637]
["NEG04136","3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester",374.8185,423.234606038636,50796.904424123,48761.2584560757,74858.988426738,54943.6500765122,44871.8204148383,5245.60002571517,6680.55692524513,0,6806.36178740123,4253.8147131614,54846.5243596574,4597.26669030459,-3.57655193418405,{"v":1.45937144387281e-05,"d":"1.46E-05"},0.000199017331354972,0.093608710513335]
["POS00213","3-Buten-1-amine",39.0546,72.0812561076119,5828030.59127799,4903222.17180749,4828004.67258268,3924506.61530033,5065596.62543515,28378823.406992,37476399.2524439,26810141.9086813,42487387.1148108,37951106.0866136,4909872.13528073,34620771.5539083,2.81788051783244,{"v":9.69234886058696e-06,"d":"9.69E-06"},0.000153737150543991,2.25053552851425]
["NEG06472","3'-Deaminofusarochromanone",28.34465,276.127891700609,1112701.75183206,1299786.11080976,1051969.58503983,1303645.09236642,1296986.77608719,145379.040601537,159333.770784544,196819.190714055,157100.890958731,241664.625107925,1213017.86322705,180059.503633358,-2.75205514329188,{"v":8.85475521703108e-08,"d":"8.85E-08"},{"v":9.0016636558591e-06,"d":"9.00E-06"},0.423588477503708]
["POS06224","3-dehydrosphinganinium(1+)",421.745,301.292045591628,54127.5063045496,23679.7729299418,115610.233379146,96307.6748639718,28088.3417418017,132759.055044614,262748.097316361,276009.182266621,304304.361701409,399270.316730468,63562.7058438822,275018.202611895,2.11327466319153,0.00190156024314919,0.00895334628169087,0.177785738176393]
["POS06293","3-Iodo-L-tyrosine",88.88255,307.981448143517,352002.959468871,252170.805781642,305923.950450848,255034.784668908,70902.5177603743,38393.204361666,96440.2228881658,35147.3902535408,19293.4040367428,16525.5182864954,247207.003626129,41159.9479653222,-2.58640655335972,0.00329899820716682,0.0139871269958836,0.179119873005377]
["POS00209","3-ketosphinganine",421.882,300.288599681095,1406331.18825469,627046.340482322,1615637.19917694,1533942.41563639,802615.71034395,2014597.72178809,2597436.58069215,2493964.94568877,2636143.9852297,3363025.74645621,1197114.57077886,2621033.79597098,1.13057472295756,0.00132787565065567,0.00665873070110181,0.45843731376164]
["POS02698","3-Methyladenine",37.0069,150.076956947376,2071636.51924577,1975996.28634486,1645164.47905046,1927499.56254577,1490632.06414159,534261.606470504,913816.086932552,723665.438006104,473557.830863336,475585.766697288,1822185.78226569,624177.345793957,-1.54564215623066,{"v":2.50764498442075e-05,"d":"2.51E-05"},0.000299911658163477,0.452840002971001]
["POS02042","3-Methylcyclohexanethiol",27.1867,131.089250491622,4440636.67504313,3199749.29794203,3434090.96482659,3781295.6768671,3418127.7521141,491059.444967549,806825.86972673,681455.488755735,651780.369112179,895688.452722234,3654780.07335859,705361.925056885,-2.37334898720684,{"v":1.21405678083508e-06,"d":"1.21E-06"},{"v":4.64143246211566e-05,"d":"4.64E-05"},0.719432958400808]
["POS00290","3'-O-Methylguanosine",178.055,298.113500407041,28624826.1363291,30547400.3339294,26616250.7220091,26658621.1647483,22647045.932715,6226084.22467314,9540423.98568521,6829994.64350973,9965122.74804643,8892034.80954381,27018828.8579462,8290732.08229166,-1.70439373753581,{"v":1.66024916673915e-06,"d":"1.66E-06"},{"v":5.50095890579573e-05,"d":"5.50E-05"},1.80457035293744]
["NEG04609","3-Oxo-carbofuran",279.895,234.07663088334,0,0,0,0,1013.49202068573,47095.0255162529,57428.9754021398,73134.9999266289,134475.356817605,51064.2840353837,202.698404137146,72639.7283396021,8.48528026659513,0.0019926437503498,0.00927481321052514,0.104653105598017]
["NEG03326","4-(beta-D-Glucosyloxy)benzoate",449.122,299.081902393506,126350.200605517,177048.583885955,165669.08446333,114856.650434246,135848.264682711,289449.752529791,390562.653179083,324547.589618509,558056.34090478,378716.226880668,143954.556814352,388266.512622566,1.43143382496591,0.000907214163699347,0.00483667336618258,0.195613406377058]
["NEG06421","4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-mucote 6-semialdehyde",29.678,228.048275032948,115699.698967811,83813.1876019574,86819.1386466049,109761.503504352,117044.064008448,536471.333242195,676488.859956907,505987.508802377,431095.076305183,643028.622218783,102627.518545835,558614.280105089,2.44443482723466,{"v":8.48052106041412e-06,"d":"8.48E-06"},0.000141016247967407,0.278620062845349]
["NEG04016","4',5,6-Trimethylscutellarein 7-glucoside",392.5915,489.135407994053,0,0,0,0,0,64940.3797682501,65842.9386672143,47732.8882408984,75918.1207750013,91466.3181076807,1,69180.129111809,16.078070085784,{"v":1.12002491948999e-05,"d":"1.12E-05"},0.000167988415738979,0.108544288296591]
["NEG06645","4,5-Methylenedioxy-6-hydroxyaurone",25.6543,281.044466990831,3807.817339164,0,0,0,9998.05589572598,11866.7621497262,49431.3345308685,47354.8714290421,34075.745794003,53332.5248421837,2761.174646978,39212.2477491647,3.82795029551166,0.00161104641741094,0.0077820849082928,0.0755020717503615]
["NEG06055","4a-Hydroxytetrahydrobiopterin",32.5079,256.110466968393,51954.3101922033,83066.6598426156,70560.425268518,57689.6237303047,85540.2565533561,743708.12653725,409144.471869271,492724.686348577,409772.466155736,428882.232090886,69762.2551173995,496846.396600344,2.83228131967491,0.000155803949635986,0.00121624968014269,0.263814929168364]
["POS03739","4-Amino-2-hydroxylamino-6-nitrotoluene",454.777,184.072141521099,67158043.5432462,75634874.221844,68893296.0838624,62830172.1948258,63865978.7656412,18062488.1397307,19143198.8028423,14566647.7025808,13435098.617728,12934746.6436726,67676472.9618839,15628435.9813109,-2.11448097510459,{"v":3.97024920014742e-08,"d":"3.97E-08"},{"v":6.53331452749916e-06,"d":"6.53E-06"},3.02033902266798]
["POS00072","4-Amino-2-methylenebutanoic acid",34.83545,116.070497747431,45709052.8365785,41825227.7033829,41010702.2962333,40276794.895427,40850191.3679769,138479403.977045,247985967.526996,173968749.327477,163066964.536981,187011889.165293,41934393.8199197,182102594.906758,2.11854557389087,{"v":6.01985226976632e-05,"d":"6.02E-05"},0.000575358957321897,4.82266859928865]
["NEG06363","4-Carboxy-4'-sulfoazobenzene",30.231,305.022860676568,616529.656860517,1156971.66701366,1646608.16011831,857679.092923039,1282642.52905234,2019616.57503204,2546844.15863982,2858820.08652091,3418781.14799605,1874890.51526454,1112086.22119357,2543790.49669067,1.19371121097464,0.00260544931302632,0.0114481088184349,0.464118126537581]
["NEG05201","4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine",175.323,378.102751911257,93553.2799139836,83775.8413820299,62599.781072354,70839.4046788001,60591.821347813,6248.35740198529,14649.8705839869,3472.78408852155,10507.9600866839,7570.56665538684,74272.0256789961,8489.9077633129,-3.12899814145474,{"v":8.66756372256981e-06,"d":"8.67E-06"},0.000143062776867361,0.106215334976242]
["NEG06463","4-Fluorocyclohexadiene-cis,cis-1,2-diol",28.6081,129.037220590964,10790368.4074972,9039609.32426107,9782019.75313535,15018769.7612926,8260601.65649982,290244.094611649,313981.764301253,221817.199050776,283173.054766646,443488.64637851,10578273.7805372,310540.951821767,-5.0901768768775,{"v":2.47255785093603e-05,"d":"2.47E-05"},0.000297305141592388,1.3399822821818]
["POS00202","4-Formyl-antipyrine",222.653,217.096419571114,0,0,21983.9760688465,0,0,5395724.62004751,6579857.76118245,5498160.44524548,8811539.08780891,5422909.46018632,4396.7952137693,6341638.27489413,10.4941875347759,{"v":1.09843556863384e-05,"d":"1.10E-05"},0.000166552620288107,1.03740763398098]
["POS01992","4-Guanidinobutal",29.4367,130.097159012451,6443526.19191076,4490532.29698814,4078124.29980461,4261572.88081208,6495011.79679886,1508851.34137908,2508567.33423155,2776286.72585082,2171209.3353587,1698354.02531401,5153753.49326289,2132653.75242683,-1.27297377843655,0.000918219534268577,0.00488370508535475,0.673004773890622]
["NEG00668","4-Hydroxy-4-methylglutamate",673.0475,176.05656417847,1112083.28550525,1259065.13995424,1342680.6024622,1402740.91127203,1593407.73602573,353504.132545768,481959.891469392,375115.525100055,463500.310490119,475212.847955453,1341995.53504389,429858.541512157,-1.64244599275282,{"v":4.60397487325481e-06,"d":"4.60E-06"},{"v":9.51000273608813e-05,"d":"9.51E-05"},0.394053840353277]
["NEG06376","4-Hydroxy-5-methyl-3(2H)-thiophenone",30.2159,129.00406132786,2799441.92891817,2034203.56203002,2302636.34105628,3920187.44894724,2666850.75440955,231549.682638358,161934.397959397,1717697.32152217,133581.728681462,1626330.05320881,2744664.00707225,774218.636802039,-1.82581660859561,0.00380087731477965,0.0156262171222513,0.538478867746668]
["POS06365","4-Hydroxycinmyl alcohol 4-D-glucoside",190.262,313.132584558381,587182.9488081,678910.604780871,636812.972473173,544553.491323973,435127.325104031,56079.298884981,168170.369603224,60242.8838574279,164108.033383882,129201.537156876,576517.46849803,115560.424577278,-2.31871691265611,{"v":1.24988675083003e-05,"d":"1.25E-05"},0.00018034656246654,0.281304288898226]
["NEG05960","4-Hydroxyphenylacetonitrile triacetylrhamnoside",34.5125,404.136983330279,7855517.10090072,7918205.14223449,7547690.76183544,7562424.11029173,7274985.1661962,1530549.28914271,1619047.87756371,1427746.8161887,2210458.87772902,1937387.45820517,7631764.45629172,1745038.06376586,-2.12875813960563,{"v":1.05368551369086e-09,"d":"1.05E-09"},{"v":6.73305043248459e-07,"d":"6.73E-07"},1.02058486067446]
["POS00099","4-Methylene-L-glutamine",32.8627,159.075859051816,3637903.16845716,4959117.7021679,6098779.72633811,3143596.12308133,4150789.92485698,88829131.7169499,67010142.7425074,56146362.977645,55057338.3745757,64840749.2578911,4398037.3289803,66376745.0139138,3.91574612975936,{"v":7.56954892692646e-06,"d":"7.57E-06"},0.000130165365946088,3.24093271158217]
["POS06142","4-Prenylresveratrol",450.4985,297.145556562495,173498.860631337,256558.676737607,173164.890706046,126776.862878822,212434.470633653,693422.322966342,981531.655732836,911429.828945545,1120555.01468927,897202.163366873,188486.752317493,920828.197140173,2.28846888356243,{"v":7.95291605304053e-06,"d":"7.95E-06"},0.000133734562049813,0.356090189882235]
["POS06989","5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide",189.32,385.116737234271,120549.724092501,121575.053686663,22520.1397548544,131629.41283836,41320.4189492471,0,10478.5401976306,0,0,0,87518.9498643251,2095.70803952612,-5.38408577835036,0.0060170608703004,0.0228668761876412,0.111090845894445]
["POS04385","5-(alpha-Phenylethyl)semioxamazide",204.8815,208.104012466665,12287.1841380335,0,5792.34289313655,7796.84150585055,0,502529.22779794,1180656.28937479,1088008.45906507,1438701.04340788,915351.79992522,5175.27370740412,1025049.36391418,7.62984250759616,0.000177932128748334,0.00133890858053206,0.408703891424256]
["NEG00109","5(Z),8(Z),11(Z)-Eicosatrienoic Acid",521.505,305.248396072249,1670252.0562084,1665098.06311205,556475.673738095,1551469.14156387,1624621.6456862,2739477.75486905,3243361.76015062,2577378.56852113,2852241.31667144,3129521.661865,1413583.31606172,2908396.21241545,1.0408669042141,0.000313316005956352,0.00209486172592341,0.494210123819438]
["NEG05864","5-Aminolevulite",36.14675,130.049496066361,161458.965771632,163882.883508666,257626.191018245,152118.436429945,143666.364467064,418285.672686839,550971.606178763,308354.216273099,302742.130488655,406877.278320284,175750.56823911,397446.180789528,1.17723016072703,0.00213891430998266,0.009802626750566,0.179203046578068]
["NEG06027","5'-Deoxy-5'-fluoroadenosine",33.0427,268.085811789685,160625.419206214,1252884.60487851,1926016.03237711,570160.101973418,1283929.94646983,1997200.18623406,4698371.79676095,2966870.21909345,6386550.92675311,2549184.98920663,1038723.22098102,3719635.62360964,1.84035001772877,0.0144357524492944,0.0481874035117119,0.594261117101892]
["NEG04911","5-Formiminotetrahydrofolate",206.795,471.17140957016,39126.2776139682,40764.5597506115,47576.2234436278,38333.9376921516,30927.2534793365,984.428984022407,0,757.997144686565,2100.11439572702,0,39345.6503959391,768.508104887198,-5.67799987146233,{"v":5.45297079757263e-07,"d":"5.45E-07"},{"v":2.85776753299112e-05,"d":"2.86E-05"},0.0825214347626324]
["NEG05757","5-Guanidino-2-oxopentanoate",37.16065,172.071532852215,123618.210702863,324515.972482334,229902.974402536,136563.406360316,157599.051737976,293948.198682963,851832.568183898,683182.26735601,571434.978316529,527934.396361459,194439.923137205,585666.481780172,1.59075486113772,0.00427751247431091,0.017206216994238,0.239806947557218]
["NEG06213","5-Hexenyl glucosinolate",31.37475,400.077408863939,1029718.47335317,681576.14694401,469336.690309324,1150306.28739097,573979.846556777,160554.030883552,123889.029011402,103256.163538672,106489.002546287,108306.103000322,780983.48891085,120498.865796047,-2.69627248103607,0.00106597801221431,0.00551751142224181,0.326177683269386]
["NEG06174","5-Hydroxy-1-(4-sulfophenyl)-4-[(E)-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylic acid",31.88085,466.990381358919,70122.6649913683,180423.320124742,142225.429369997,90438.1649342896,212265.666753294,331542.230290845,589216.329267058,418700.299522836,688762.425580455,438791.693187626,139095.049234738,493402.595569764,1.82669423361526,0.00092308152025792,0.00489791653631515,0.23678923461027]
["NEG05068","5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside",192.248,649.208859517987,1167.90444067709,0,0,0,0,688201.426474532,835040.974652108,854783.284595546,1065339.29504819,651857.871986364,233.580888135418,819044.570551348,11.7758040108307,{"v":3.66819194277696e-06,"d":"3.67E-06"},{"v":8.30204987349039e-05,"d":"8.30E-05"},0.375466071632058]
["POS06611","5-Hydroxymethyldeoxycytidylate",32.6297,338.074968320622,1196370.74310353,5221318.56332412,622881.000964231,3525089.06381888,677699.786204887,5015112.93879209,6106699.21784141,4506583.20606852,5206315.77991498,7738234.17313998,2248671.83148313,5714589.0631514,1.34557662651657,0.0121991652329662,0.0416859175607776,0.683446581084667]
["POS04951","5-Hydroxyxanthotoxin",43.9556,233.044869834725,262305.968697609,331873.306904581,194829.736898599,183263.666560549,205949.128884052,47676.6122151457,23090.9521110185,0,18560.0991055367,8781.84887990866,235644.361589078,19621.9024623219,-3.58607433001824,{"v":6.88740205447128e-05,"d":"6.89E-05"},0.000637276484375973,0.18755110584425]
["NEG00104","5-L-Glutamyl-L-alanine",29.94155,217.082177453085,812501.692408222,985143.186944291,1567033.66856345,539635.341905314,1961137.19574869,5923561.39368267,10284817.8726029,6869257.2841436,9113205.24930689,9221394.70781639,1173090.21711399,8282447.30151049,2.81974315009483,{"v":3.19414783871611e-05,"d":"3.19E-05"},0.000362050113493518,1.09670194768823]
["POS05131","5-Methyl-2'-deoxycytidine",37.3763,242.112562421214,15891.3699727369,15076.2476739588,16862.5412375013,0,28840.8676013291,916367.06735437,1256745.77521995,880856.011869017,669006.751148028,1317139.5897373,15334.2052971052,1008023.03906573,6.03863140263832,{"v":3.84843710646461e-05,"d":"3.85E-05"},0.000413799499452312,0.408122229168557]
["NEG06160","5-Methylcytidine",32.10935,256.091107743004,67142.3995927609,83573.9721780342,70545.3367758956,63635.3592333374,85791.9422099295,754722.602785801,398604.010070652,490030.460656963,297938.322755796,483728.119121005,74137.8019979915,485004.703078043,2.70971748857117,0.000643280259776091,0.00365151345428738,0.253903521437712]
["NEG05818","5-Methyltetrahydrofolate",36.6632,458.187705202063,190796.365631547,191573.727036994,135528.528257418,161075.183060073,180088.876146727,472873.809828384,608867.801552569,281077.657115929,673827.422751019,478519.441883531,171812.536026552,503033.226626286,1.54981839261129,0.00127686633084369,0.00646088585731203,0.223941522113842]
["NEG04528","5-Nitro-2-(3-phenylpropylamino)benzoic acid",294.95,299.103452839417,0,1071.54817681624,1832.44133718615,1295.41585617617,2167.02414149509,11850.1883837163,20937.9893477335,13216.8873766539,28798.4166045757,15290.2575462699,1273.28590233473,18018.7478517899,3.82287045770265,0.000687127410416197,0.00383232033265791,0.0511714014686887]
["NEG05154","5'-O-Desmethyl omeprazole",182.0865,330.088657506891,483810.813132563,559287.140776722,364546.345899575,674172.859103532,354423.385054947,78629.0193448413,68125.015741919,92058.5976196409,161742.686965708,74381.5531079135,487248.108793468,94987.3745560045,-2.35884891331836,0.000245059681319745,0.00171509694333834,0.254906488914806]
["NEG06498","5'-Phosphoribosyl-N-formylglycimide",28.0731,313.044021740586,0,0,0,0,4978.3134557324,43717.7898580923,20516.6684185439,26269.3748103068,54443.8710671328,98932.743708553,995.66269114648,48776.0895725258,5.61437321887444,0.00905660068203738,0.0321764693016308,0.0817354602506817]
["POS07062","6,8-Di-O-methylaverufin",222.5785,397.124255781092,0,0,0,0,0,85264.8992546697,224689.151544688,150799.953889203,222335.247524015,202801.548598489,1,177178.160162213,17.434841255714,0.000156916838567657,0.00122067655463153,0.170405718629152]
["NEG05082","6-[2-(6-carboxy-5-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-3-methylcyclohex-3-en-1-yl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",192.002,665.181690020206,0,0,1077.49223586833,1166.23480663004,0,115745.707697083,79399.1152913464,131158.912876853,98567.4513119964,41604.1926552367,448.745408499674,93295.0759665031,7.69975995110631,0.000333178563716833,0.00218384843184527,0.121990977447704]
["NEG03676","6-{[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid",411.8985,550.187094920752,253366.858993785,79553.5602526577,113149.408809283,298088.434820142,181777.387760082,52135.8287982048,27982.8036260323,2924.07398709375,0,14112.8555619123,185187.13012719,19431.1123946486,-3.25254343972738,0.00435587086259786,0.0174586114412188,0.159081865993997]
["POS07593","6-{3,5-dihydroxy-2-[3-(3,4,5-trimethoxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid",35.1317,525.164864398652,1069501.87075595,1272792.35630471,836355.676790361,915092.555309794,886142.684596271,512883.117214403,380462.114937196,252264.859577619,449080.275887326,417549.219923121,995977.028751417,402447.917507933,-1.30731037828617,0.000176735475801187,0.00133415618716343,0.309070947816842]
["POS07159","6-Amino-6-deoxyfutalosine",199.661,414.131503462994,0,0,0,0,0,45572.4486362407,124891.519954568,82337.9769971739,42762.8803861959,34582.345863987,1,66029.4343676331,16.0108216668978,0.00442889105241899,0.0176878836405983,0.0969425395945911]
["POS06007","6beta-Hydroxy-17beta-estradiol",450.2865,289.175781738961,16550.3190594632,30536.7011216023,0,9127.8878377651,22347.6268789667,161853.738857674,253139.242325055,144931.017676547,313224.491269247,170111.066311104,15712.5069795595,208651.911287925,3.73111284539065,0.000351560485892859,0.0022665451297003,0.1756483399037]
["NEG03324","6'''-Deamino-6'''-hydroxyparomomycin II",449.355,615.279442939849,6416.98760353878,8892.488923779,2949.51328420386,1669.59322417112,1707.32947195634,28676.4089096627,56275.7686756692,38927.5189788988,51476.242004201,46925.8837626062,4327.18250152982,44456.3644662076,3.36089009939473,{"v":4.76780748691456e-05,"d":"4.77E-05"},0.000490262135378593,0.0820589851727365]
["NEG06069","6-Demethylsterigmatocystin",32.3889,309.036885448239,18089.3662981211,0,91293.3465527725,176316.072012392,54931.0490275844,347263.494497313,911961.55002967,658236.806837855,613890.141243736,427655.674257383,68125.966778174,591801.533373191,3.11883673122233,0.000969772976071365,0.00509842565021265,0.281978667341614]
["NEG05874","6-Deoxyjacareubin",35.60455,309.075621009098,133524.295211805,201459.011886814,114299.477142615,150849.999287861,117876.383757344,392713.235876899,489928.843957216,298033.370815964,315993.384317824,454686.030050373,143601.833457288,390270.973003655,1.44240199503504,0.000302446429537411,0.00203435019446743,0.198670803315561]
["NEG05832","6-Epi-7-isocucurbic acid glucoside",36.5832,373.183744418091,0,0,0,0,0,37181.7020408207,229942.304664038,132182.772495522,238796.446559115,88645.7160508447,1,145349.788362068,17.1491694452628,0.00610163017042344,0.0231097305269297,0.142731643631199]
["NEG05100","6-Nitrochrysene",191.584,272.073219599976,7846.8247952756,9496.05565204789,7312.45389708493,6838.25207637885,8783.33792269804,105743.94070617,103495.251405379,80167.9110196828,89797.6622590653,103020.567865097,8055.38486869706,96445.0666510788,3.58168201905199,{"v":1.01642507014792e-07,"d":"1.02E-07"},{"v":9.86285816739222e-06,"d":"9.86E-06"},0.124248918050298]
["NEG06476","6''-O-Acetylholocalin",28.33615,352.098040043772,61101.0788771425,53924.3945525299,34176.5690688654,47546.4781281379,66791.0188884285,268374.022520974,347325.233106789,210810.476187877,261514.309106843,307993.496864331,52707.9079030208,279203.507557363,2.40522573138231,{"v":1.18309905438158e-05,"d":"1.18E-05"},0.000174079015468711,0.196072150455291]
["NEG04004","6'-Oxogentamicin X2",394.021,479.241202530162,3708.02184535032,12502.1390539215,8459.64108356011,7088.46201476875,3051.62638871433,63469.5282873515,110776.310353405,59919.3270315391,107120.239233666,103636.440937125,6961.978077263,88984.3691686173,3.67598276091953,{"v":8.96661700759704e-05,"d":"8.97E-05"},0.000783353083495734,0.116192484764193]
["NEG00042","6-Phosphogluconic acid",25.6185,275.016833425907,5689617.02802954,7700838.77185179,6386856.28978279,9395627.3161403,7593358.12570208,1099378.6847184,1133714.23910594,670365.40672685,763799.605836787,1419524.09216819,7353259.5063013,1017356.40571123,-2.85355872009844,{"v":1.0126569790903e-05,"d":"1.01E-05"},0.000157831771158987,1.04250346651614]
["NEG01236","7',8'-Dihydro-8'-hydroxyreticulataxanthin",599.753,489.342904366127,7575.74116799609,27409.1412828266,44460.3796761592,0,8262.39975193429,57248.7344691795,258001.862663465,149692.847142939,319233.443097662,256988.854187587,17541.5323757832,208233.148312167,3.56935305938408,0.0037723255176742,0.0155373959857797,0.167006063120737]
["NEG06151","7-Aminocephalosporanic acid",32.1125,271.036669461282,929743.144130924,752693.886462043,1029191.99695884,1044053.08868227,1187308.7708459,2880786.37937868,4872139.61476427,3222021.08376379,4086193.9336993,4083840.31925573,988598.177415995,3828996.26617235,1.95351010151773,{"v":4.81107510788714e-05,"d":"4.81E-05"},0.000493576581595853,0.687280521986451]
["POS05927","7-Aminoflunitrazepam",303.145,284.117233453465,0,0,0,0,0,107516.059894067,125696.92426699,115365.260729642,281392.990757634,79483.5406855512,1,141890.955266777,17.1144231032458,0.00409875462935932,0.0166066390010183,0.142917711962317]
["NEG05059","7-Chloroemodin",192.249,303.00746231141,63378.2522545991,82952.9616529562,51570.3403011931,97475.5822562319,52795.7538318335,1085131.8672644,815246.431507665,954187.03928202,782802.648195362,713350.697850973,69634.5780593628,870143.736820084,3.64337795550077,{"v":2.24740396402503e-06,"d":"2.25E-06"},{"v":6.28289870692748e-05,"d":"6.28E-05"},0.370968646537956]
["POS06821","7-Deoxylogate",34.9366,361.152238007361,65877017.9718053,56182533.6899701,51427708.2949641,75252314.4531645,49028796.2133586,26705300.9501244,16270054.2955026,17650494.1901886,18173030.4313949,16964701.930482,59553674.1246525,19152716.3595385,-1.6366414981449,{"v":5.64599207042078e-05,"d":"5.65E-05"},0.000553177541526368,2.64035955876817]
["POS06334","7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one",185.599,311.12260608946,4359.37064821,0,4874.74717108774,5030.92881732503,0,326654.599380866,436631.990699365,312410.397705332,325247.514634473,429171.255745651,2853.00932732455,366023.151633137,7.00330663074684,{"v":1.02026461807094e-06,"d":"1.02E-06"},{"v":4.14876694239208e-05,"d":"4.15E-05"},0.250688395915136]
["POS03088","7-Mercaptoheptanoic acid",37.3344,163.078850745958,631905.102602545,478511.289783822,375766.641493172,525877.160798367,285100.822873077,1575107.61176144,2268305.39753904,1757154.07907968,2213608.91261494,2677513.2118646,459432.203510197,2098337.84257194,2.19132308765999,{"v":4.37310716311511e-05,"d":"4.37E-05"},0.00045385564664917,0.523073505623634]
["NEG06046","7-Methyl-1,4,5-naphthalenetriol 4-[xylosyl-(1-&gt;6)-glucoside]",32.63925,483.148402982346,8857013.78495444,8199076.6005942,6711342.35843487,803653.407140206,10532394.5925616,0,259519.391625397,464551.419002682,1688489.41237196,523603.925559193,7020696.14873706,587232.829711846,-3.57960955988926,0.00528572871919462,0.0205764953360212,0.918842761657926]
["POS06951","7-Methylguanosine 5'-phosphate",35.3428,379.087096745942,361259.753021837,547540.039940545,601292.487838902,159486.110103791,729627.879698587,896607.692224819,809535.69934052,1486545.55299236,1154318.29618182,780949.083464575,479841.254120732,1025591.26484082,1.09582677632134,0.011036729765937,0.0383882521329986,0.281187995270647]
["NEG05198","7-Methylinosine",175.668,282.092176712149,71527.6170137681,79940.5364241073,64883.6105978061,67382.150914993,54114.4297167723,5558.50172995662,29136.8171649235,16670.0389830913,16760.2720536002,25801.9019292505,67569.6689334894,18785.5063721644,-1.84675578143477,{"v":3.45325121460598e-05,"d":"3.45E-05"},0.00038328517823654,0.0905892720916723]
["NEG04785","8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol",242.683,559.162006311838,0,829.13348501633,0,0,925.979379893163,56583.8549410515,72131.1114838748,74190.8464314696,175750.439606739,95269.363420256,351.022572981899,94785.1231766782,8.076953023169,0.00210188186372278,0.00968251037737588,0.119390057987522]
["POS05492","8-Deoxylactucin",31.48755,261.116598996523,1920791.94064252,1944119.07323901,2061724.42668496,2021573.07311212,1370455.58202388,815802.708948449,734723.731797803,557602.822989317,636742.615251472,734251.94698462,1863732.8191405,695824.765194332,-1.42139912091535,{"v":2.29775407746648e-05,"d":"2.30E-05"},0.00028549594412521,0.451630785366286]
["NEG05187","8-Oxocoformycin",177.943,281.0888165991,736673.735095139,780280.867011372,792456.43505237,690173.838704603,726219.364393794,191064.437530809,133853.227335194,181834.482905043,280450.429426655,246234.472477056,745160.848051456,206687.409934951,-1.85010136299965,{"v":1.46377488113328e-07,"d":"1.46E-07"},{"v":1.19044818969257e-05,"d":"1.19E-05"},0.306122976675172]
["NEG04585","9-Aminocamptothecin",284.8765,362.122756400379,0,0,0,0,0,66217.5777449376,91610.1369287387,72229.2016875392,126046.657500976,93032.2634171216,1,89827.1674558626,16.4548642212447,{"v":2.6306963916165e-05,"d":"2.63E-05"},0.000311299073007953,0.123075765604437]
["NEG06508","9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione",27.861,393.108159690529,208654.148581862,155300.643628035,95063.6332661554,109945.030581073,115030.489846757,515532.045903382,635677.85837619,432290.240785555,477780.451967615,604592.489737698,136798.789180776,533174.617354088,1.96255263936696,{"v":1.65294839316347e-05,"d":"1.65E-05"},0.000220048754839886,0.258825672658234]
["NEG05749","Acadesine",37.2035,257.088767777584,3525.23768777252,0,0,3336.11213364633,2902.82090054303,71338.0513332774,94245.8678796941,75817.3569498556,43515.6262546547,86069.5924652002,1952.83414439238,74197.2989765364,5.24772533858787,{"v":3.28922571371848e-05,"d":"3.29E-05"},0.000370597144016694,0.110098589247426]
["NEG06429","Acetamiprid",29.48965,221.05946562093,12623826.5066184,8920714.5402478,10161805.3014238,12900981.106359,12521457.8323043,550037.106667008,643697.31256011,532468.303593998,516880.746127901,612081.101796634,11425757.0573907,571032.91414913,-4.32257204507085,{"v":8.10829213213965e-07,"d":"8.11E-07"},{"v":3.53422839049426e-05,"d":"3.53E-05"},1.37984765025898]
["NEG03358","Acetylbrowniine",444.772,508.303921551655,1580.42475766328,6917.30333586974,8359.07785800187,2777.33193133361,11900.3297067722,178439.82685575,315369.229075561,164229.675022293,294282.964390607,274664.34384056,6306.89351792814,245397.207836954,5.28204544793072,{"v":5.74549482705385e-05,"d":"5.75E-05"},0.000561126601777552,0.199197538501029]
["NEG03648","Acidissiminol epoxide",413.653,408.223331920544,65040.3783275495,87941.5191129005,103272.677748206,53530.9862136037,58412.5132190772,267451.007955661,234325.208012852,125625.295077222,169870.192995756,334338.894275593,73639.6149242674,226322.119663417,1.61982360605856,0.00372730596641243,0.0154229783420562,0.148403274450036]
["POS07652","Acrithrin",34.9673,542.140484006797,1096833.74519008,786765.943056869,968148.995807812,816136.146294073,738123.693595079,578467.280539552,301601.774001264,228573.659873002,475760.736212338,286883.230842226,881201.704788783,374257.336293676,-1.23544168944563,0.000617582593921179,0.00353706394700312,0.287745197601242]
["NEG05098","Acutumine",191.711,396.123151996357,6858.07803825287,0,0,12200.677239493,0,115902.053317369,183842.051184057,124006.053598459,150053.314186658,225382.743754236,3811.75105554917,159837.243208156,5.39000589506474,{"v":5.981207377589e-05,"d":"5.98E-05"},0.000575358957321897,0.161094201946763]
["NEG05153","Adenosine",182.117,266.089149577044,1157492.51401736,1387521.0549146,997366.4799662069,1532511.84752991,983767.501070332,264925.652402499,178566.996134835,307978.867195434,462362.228338031,274040.851654595,1211731.87949968,297574.919145079,-2.02574566796302,{"v":5.44458126153103e-05,"d":"5.44E-05"},0.000538796725283812,0.39299006808112]
["POS07393","Agnuside",494.621,467.148918966717,0,0,0,0,0,127265.12434203,95606.5401932126,54052.3594983123,70359.5626338337,82523.0366676115,1,85961.324667,16.3914000944672,0.000120159865773304,0.000995324221488868,0.117802059273469]
["POS03824","Alanyl-Proline",37.8289,187.107100862596,252717.547542763,238814.052329299,219400.480086043,287425.643093723,346838.761538132,656198.121724088,825001.196618991,587678.11617349,695627.715645685,1043241.32808543,269039.296917992,761549.295649537,1.50112051267448,0.000359345349935023,0.00229294115586214,0.281989573684876]
["NEG05969","Albanol A",34.5028,561.151272860021,558361.422648612,396408.067390417,794482.193967707,929323.418533915,565874.773411456,178549.473187444,159644.842114646,58332.9135128809,191505.481915201,191748.888389585,648889.975190421,155956.319823951,-2.05683186147332,0.00100096337786884,0.0052305013892609,0.285192667071265]
["POS03509","Allantoate",27.6048,177.060483765475,6128.47270913962,0,0,0,0,393704.411825635,682208.882760021,533172.591050173,784430.972171632,480209.60962448,1225.69454182792,574745.293486388,8.87317945027322,{"v":3.81200871792068e-05,"d":"3.81E-05"},0.00041087024084962,0.3098193450708]
["NEG05812","Allocryptopine",36.6961,368.155889909571,1864574.25547067,3983451.86560945,4145149.022845,946912.405590299,5334533.78395802,7968.04810106667,31499.5774581686,24570.2126979539,33363.8580892234,39079.057822035,3254924.26669469,27296.1508336895,-6.89778264206734,0.00385440157080726,0.0157882218188836,0.659786553577938]
["NEG02009","all-trans-8'-Apo-beta-carotel",540.813,415.306220276427,494524.375378009,1137352.53385999,752753.535087489,384347.625971342,879317.748648674,1266102.9467415,2062196.01085933,1484080.72449603,2282410.4118609,2266755.24506954,729659.163789101,1872309.06780546,1.3595239856274,0.00178829054257125,0.00851866197755189,0.423726457473265]
["POS00066","ALPHA-AMINOADIPATE",37.2841,162.075507931935,13728426.0375628,10651709.7538549,9759210.3589617,9838647.08686968,10117137.2548582,32933978.8896733,40762986.461485,31121455.6498152,39673010.7539016,46240476.5061822,10819026.0984215,38146381.6522115,1.81797558051934,{"v":1.1560345794987e-05,"d":"1.16E-05"},0.000171223267354228,2.15743370220652]
["POS05700","alpha-Erythroidine",401.558,274.143594672004,527091.494456971,547779.325478164,598775.129077263,439860.998275352,439973.6215274,54126.3358250734,116759.313777727,36197.5614553518,70946.5441603201,125330.738997589,510696.11376303,80672.0988432123,-2.66232338455616,{"v":2.0845725947084e-06,"d":"2.08E-06"},{"v":6.0547358546303e-05,"d":"6.05E-05"},0.273124297165669]
["NEG05723","alpha-Methylstyrene",37.4662,117.073510984741,178725.647814904,138501.233518882,166101.286706559,140257.544500221,148558.911068043,1418844.52000533,1701150.14716805,1165628.74354236,1804696.9039961,1535943.6248027,154428.924721722,1525252.78790291,3.30403346615017,{"v":1.84755973914214e-06,"d":"1.85E-06"},{"v":5.86108844906581e-05,"d":"5.86E-05"},0.485237201353461]
["NEG05958","Alphazurine FG",34.51585,781.201726530827,5290217.38411192,6628391.90804237,5869988.69116097,4696150.63915737,5598243.964439,1105198.18001628,1207669.77645727,793228.538515284,1375125.87304879,1208838.76681279,5616598.51738233,1138012.22697008,-2.3031806224111,{"v":9.11349492084685e-07,"d":"9.11E-07"},{"v":3.80978156831289e-05,"d":"3.81E-05"},0.875049070598357]
["POS06554","Ambelline",37.0486,332.155363883302,107130.405904017,94807.145513758,103020.745829562,14473.6044504749,230743.817106336,313862.714656316,401059.68512449,305339.891698513,325097.358509338,420306.072969466,110035.14376083,353133.144591625,1.68224786187755,0.000415885545285295,0.0025872823978597,0.200881317723644]
["NEG06361","Amifostine",30.2329,213.048478245479,161676.791643609,195478.936762758,115881.288961049,239971.536566085,160363.432708086,314740.707152582,404343.163705554,358127.73249135,360844.809043713,570018.255162376,174674.397328317,401614.933511115,1.20114475235181,0.00168219032030552,0.00807343058232466,0.186012783487107]
["POS04938","Aminopyrine",29.2568,232.139667100739,0,5004.11181874905,7030.79592803445,10623.0872319169,0,200205.234991992,326728.178263657,481089.846292112,487704.928519763,349685.108557112,4531.59899574008,369082.659324927,6.34777994481053,0.000137073332004668,0.00110473696226465,0.246184757421935]
["POS01921","Ammeline",25.0665,128.058567271368,251339.547725598,152768.9529172,189382.153468467,328496.532073256,160555.444184633,920721.721348457,1031255.78638547,886784.029114469,474253.676400242,389295.168404909,216508.526073831,740462.076330709,1.77400200882963,0.0043175426371556,0.0173205096107596,0.269681288928309]
["POS06784","Amodiaquine",29.78185,356.15698191161,0,0,0,0,0,31451.1055686903,396947.250066641,259543.947003814,332756.059435167,177675.503585425,1,239674.773131947,17.8707185411513,0.00549499132707998,0.0212254716805084,0.184539833154789]
["NEG04500","Ampicillin sodium",302.618,370.08297716247,25501.5459448968,14458.5687473344,6603.0285060305,18418.032543439,10192.9417869756,143866.869034727,179823.561356339,119601.79226835,170656.144225929,187749.049667797,15034.8235057353,160339.483310628,3.41474989302946,{"v":3.69351201615155e-06,"d":"3.69E-06"},{"v":8.30204987349039e-05,"d":"8.30E-05"},0.157662352100432]
["NEG05708","Ancitabin hydrochloride",37.7059,260.044852627297,0,2424.06538028004,3612.2037215902,9611.24475819543,17715.7424925965,36470.8258532675,13506.3998952348,29938.994768691,45374.9778926903,21656.1961088878,6672.65127053243,29389.4789037543,2.13896776713506,0.00754782629016994,0.0275378686753101,0.0566977005094984]
["NEG05734","Angustine",37.3895,312.108592702057,0,0,0,0,17317.6979463029,54659.5845956645,72151.1967395578,36605.7798123259,69994.5887593414,49870.2852266121,3463.53958926058,56656.2870267003,4.03191698824237,{"v":9.80337264325209e-05,"d":"9.80E-05"},0.000840404984714013,0.0937624260846869]
["NEG04260","Aniracetam",357.315,218.081524973406,66608.4597078845,48911.9609750581,110448.485048092,36327.3455818242,178570.807253387,1553038.36973621,1815445.82028129,1845158.75139801,2905571.63696497,1760841.25331413,88173.4117132492,1976011.16633892,4.48610360600935,{"v":4.83217562529605e-05,"d":"4.83E-05"},0.000494606900959937,0.56297490501844]
["POS05882","Annolobine",443.275,282.114083193631,0,0,0,7013.1478163575,0,1173694.60902621,1238921.07697544,890882.628773105,907672.707329898,1195743.83872278,1402.6295632715,1081382.97216549,9.59052778801579,{"v":5.36387373002577e-07,"d":"5.36E-07"},{"v":2.85776753299112e-05,"d":"2.86E-05"},0.432375896539179]
["NEG03887","Antibiotic JI-20A",406.1535,480.272840317798,26689.2283543028,32028.0726976382,42586.8504430213,29301.638093081,42869.6510709023,108677.382523927,287261.763617978,97117.8212259622,299867.576672529,297717.339865241,34695.0881317891,218128.376781127,2.65237412891351,0.0046593253186066,0.0185254774667799,0.16202410512185]
["NEG04584","Antirrhinoside",284.917,361.119266153358,0,0,894.353473219363,0,0,392197.308224622,439565.78930414,381615.502600116,635638.106438635,432020.767331633,178.870694643873,456207.494779829,11.3165573905471,{"v":9.37803327022544e-06,"d":"9.38E-06"},0.000150891880639275,0.278768937913703]
["NEG05218","Apoatropine",172.8995,270.145707653791,0,1292.87184123701,1027.89423039926,1263.12837606915,0,47234.2794530695,70255.8366822446,74011.8313588775,69735.6118192989,131973.307425691,716.778889541084,78642.1733478363,6.77763123419682,0.000568534733459259,0.00328985234510125,0.111850063160182]
["POS07461","Aquayamycin",35.0221,487.164372273974,10811468.0422189,14893278.1901746,12107583.4558311,11342168.4097052,9093792.08103518,2481231.44451295,2850887.5832101,2432836.88473894,3697101.06975433,2611173.6717475,11649658.035793,2814646.13079276,-2.04926214951155,{"v":1.80593259139646e-05,"d":"1.81E-05"},0.000236196973137906,1.22323175419245]
["NEG00003","Arginine",32.6597,173.103184506733,884992.245427012,1017317.44435952,1230938.62744297,1357937.05594575,822962.599610703,40412949.6196451,85587262.1600585,73125041.797918,63796724.9604506,52196200.2432837,1062829.59455719,63023635.7562712,5.88991077351662,{"v":4.92303012782974e-05,"d":"4.92E-05"},0.000500470767313237,3.21807121009969]
["NEG01981","Argiopinin II",541.945,743.486747551384,807102.473832038,634573.339618385,408358.702975164,954254.263546075,515780.361293659,2822017.73802891,3778711.78396374,3483395.5514814,2679008.35603725,2333271.79311971,664013.828253064,3019281.0445262,2.18491986238081,{"v":3.34618079727987e-05,"d":"3.35E-05"},0.000375124478852954,0.625595778926946]
["NEG05090","Aripiprazole",191.8995,446.131374038376,0,0,0,0,0,69873.9664237693,60823.7139312478,87445.6584189433,104677.063523959,72988.5300368479,1,79161.7864669535,16.2725165500189,{"v":6.78145666109003e-06,"d":"6.78E-06"},0.000121346343548849,0.116828217144241]
["NEG06082","Artomunoxanthentrione epoxide",32.3785,461.122271652397,0,0,0,0,0,101091.568325999,610300.021283606,273588.162940498,161382.345896594,343809.283312254,1,298034.27635179,18.185118736262,0.00998010961739289,0.0350400551951322,0.200498023256665]
["POS00159","Asp Arg",31.1257,290.144826310429,5872864.70719918,6766693.07447843,7309420.51996186,5554735.0196169,6613599.48581991,18323192.7208511,20287114.8956558,15250164.6630998,18591983.0131421,20315427.3180914,6423462.56141526,18553576.522168,1.53027422249194,{"v":1.64738393660108e-06,"d":"1.65E-06"},{"v":5.50095890579573e-05,"d":"5.50E-05"},1.44772225873582]
["POS00024","Asp Ser Asn Pro",34.6802,432.169778447421,1386637.3495609,832925.260193669,773156.472235143,840292.294123076,798159.830129686,6141389.70391637,7681274.42640112,3828586.54370547,6112093.81888216,8687832.05748346,926234.241248495,6490235.31007772,2.80882178851298,0.000155479519523512,0.00121583896998019,0.949708650514454]
["POS00169","Asparagine",30.6191,133.060402177111,6485029.37677164,6781353.52306359,5480032.14131099,7001764.30454183,6994975.03647539,12203570.318562,14400768.969994,11464445.1826442,12535114.0853744,16277318.754431,6548630.87643269,13376243.4622011,1.03040779264372,{"v":7.28027826386353e-05,"d":"7.28E-05"},0.000660541271283196,1.06749843397801]
["POS04970","Asparaginyl-Threonine",30.6465,234.107617935985,104272.893127156,110721.200400188,140159.055083816,123705.821567986,85887.259045507,333102.268193697,435567.821010189,391721.592091126,380181.792969909,618005.745660778,112949.245844931,431715.84398514,1.93440740274628,0.000220128862363334,0.0015881232279858,0.227688700064276]
["POS05503","Aspartyl-Gamma-glutamate",33.8582,262.102367452272,905057.064477997,802056.191726248,806786.221508319,528877.275842045,547420.346776867,1342468.56301727,1873773.25478721,1526084.32670361,1758673.01495136,1669837.99489842,718039.420066295,1634167.43087157,1.18642084966642,{"v":5.93754867046209e-05,"d":"5.94E-05"},0.000574862666731103,0.390321103694978]
["POS05545","Aspartyl-Methionine",37.2763,265.084295054282,379531.826179554,341196.247461503,295051.817755729,363635.992392075,541781.660471767,1712107.04908485,2666719.08914856,1933144.83515359,1897814.96074294,2477934.39158961,384239.508852126,2137544.06514391,2.47587638654225,{"v":1.45797768681789e-05,"d":"1.46E-05"},0.000199017331354972,0.546935694751902]
["POS06891","Aspidodasycarpine",178.647,371.202383113555,447262.099897092,194881.351401051,172427.720620252,300855.685643938,258700.777910828,14812.0470245391,16656.6066094465,4768.7912737259,13404.0566726578,10180.4677005989,274825.527094632,11964.3938561936,-4.52169680113795,0.000656813713647154,0.00370950472366631,0.20513034897128]
["NEG05157","Atherospermidine",181.755,304.062974916102,326526.630240155,381240.707296376,266093.144124314,486000.320326106,265178.308399323,161376.119198244,211524.179872499,50704.9406002089,113212.375736502,58054.0542778434,345007.822077255,118974.333937059,-1.53597869352099,0.00230233253750677,0.0103604964187805,0.188491371136127]
["NEG05773","Atrazine",37.0152,214.08250977118,0,0,0,0,0,31576.0534852565,10696.0942478726,17127.4704080324,23835.3457356158,9159.43553512866,1,18478.8798823812,14.1735896884078,0.00222472250120661,0.0101027246171545,0.0522293439198508]
["NEG06537","Aurasperone D",27.803,555.125497608013,0,0,0,0,14894.435827149,559486.935622169,605264.750960052,573508.034434841,568900.006654505,542935.092752497,2978.8871654298,570018.964084813,7.58009262910247,{"v":1.74459258943828e-11,"d":"1.74E-11"},{"v":3.90178132627872e-08,"d":"3.90E-08"},0.317083865740251]
["NEG06438","Auriculoside",29.3392,449.134355240566,34656.907415029,24925.8722945324,20874.4545689834,0,38062.568357551,54158.7606386263,209835.462292443,64206.0780395009,191510.20733833,235732.048426904,23703.9605272192,151088.511347161,2.67219392917188,0.0111199803533726,0.0384981982357862,0.131777480001653]
["POS06979","Austrobailign 1",44.71445,383.110345381191,57671.9297142344,30920.1036995563,15127.3684737029,9989.5484917674,51098.8684043351,65874.3591871228,270993.36064368,115508.911549997,217625.664215226,270083.966817369,32961.5637567192,188017.252482679,2.5120084564821,0.00667105261385617,0.0248870878580306,0.148424196587954]
["NEG01868","Avermectin B1b aglycone",547.374,569.300001692792,293503.725992478,408872.584731653,414111.782006712,490233.449642876,428604.598049917,790800.032314846,895717.144633166,962137.83148437,563058.509519718,1018987.75712261,407065.228084727,846140.255014942,1.05563683196103,0.000951271868434173,0.00502365887544989,0.262005194534265]
["POS05247","Avocadienofuran",290.312,247.200703371057,620986.987664028,874737.910906523,614721.486861984,825076.473641699,784813.56625404,232218.531239479,273302.428527604,251491.932073327,683371.164773184,241726.393841345,744067.285065655,336422.090090988,-1.14516064962076,0.00399529115671226,0.0162463066763399,0.240934793322586]
["NEG03146","Azidocillin",456.836,374.093208099566,0,0,0,0,0,214907.152811382,319651.06151353,260453.495820582,333504.71331599,326978.20218695,1,291098.925129687,18.1511499868177,{"v":1.46114208464551e-06,"d":"1.46E-06"},{"v":5.21705047148121e-05,"d":"5.22E-05"},0.224800831011432]
["NEG05890","Azinphos-ethyl",35.1695,344.031970252793,1051556.38456472,1509241.64324845,1597669.99024918,1084170.57658732,2146120.63046472,2225505.98922537,4000945.22320705,3795802.57185342,3964042.97640165,4311179.33272855,1477751.84502288,3659495.21868321,1.30824063876275,0.000812693623934597,0.00443855748456588,0.594695609832369]
["NEG04592","Azoxystrobin",283.238,402.109305895688,36684.6473805161,42832.8953590965,40838.2891102288,40620.0755364865,27420.6485578088,99842.5702716526,158583.31377651,129634.090283007,268167.484901722,140382.812893113,37679.3111888273,159322.054425201,2.08010149162963,0.00299680765596261,0.0129038987516514,0.133571370684935]
["POS06260","Balfourodinium",212.4545,305.155919316953,139579.810611632,114392.348538268,114156.343830401,182607.115848205,95462.4977287752,420269.137560142,644953.320934989,347769.355243624,412932.5678059,248106.374297475,129239.623311456,414806.151168426,1.68238883729452,0.00275743555129844,0.0120214514824151,0.201088912510243]
["POS05495","Baptifoline",26.3119,261.154795149241,7870.32630346436,16403.7147871135,18153.1860808423,30786.4475831747,18870.184634781,181125.689071881,204411.726197984,225278.240259994,221630.880389562,193074.863552997,18416.7718778752,205104.279894484,3.47726548599559,{"v":3.43690990513922e-08,"d":"3.44E-08"},{"v":6.40554083570323e-06,"d":"6.41E-06"},0.18127483831426]
["NEG05957","Barbaloin",34.51585,417.12440694605,779822.48779125,1221267.93951848,1301037.2862115,1136272.50081533,1445088.66136975,230233.522426065,523067.651503051,427373.593889715,632499.24082984,439065.558061194,1176697.77514126,450447.913341973,-1.38531162635604,0.000509357400166266,0.00300971684404717,0.334713152550293]
["POS05426","Barban",204.02,258.007831184613,344741.609588527,102791.590867255,237991.670089142,372524.678377755,249709.322509555,2203571.92256052,1404194.95953395,1856977.44163208,1979259.3120586,1717720.91577987,261551.774286447,1832344.910313,2.80852263184809,{"v":3.91382745181299e-06,"d":"3.91E-06"},{"v":8.62391635071897e-05,"d":"8.62E-05"},0.517869799572561]
["NEG04440","Bay-K-8644",314.653,355.091665238558,0,0,0,0,0,50442.0170423235,57187.5885226223,43118.8598699944,83355.8958424684,54859.1346664513,1,57792.699188772,15.818599631628,{"v":2.89639546035541e-05,"d":"2.90E-05"},0.000333906620983757,0.0984494301332663]
["POS07302","Benexate hydrochloride",34.54965,446.185416096032,0,76750.9688973157,18595.2949918388,112212.60292881,44142.1465551252,369311.143094413,441098.052606658,275719.676683408,370436.061594592,625223.642170008,50340.2026746179,416357.715229816,3.04804062771257,0.000353569072717437,0.0022690307923459,0.24194156794225]
["NEG05049","Benfuracarb",192.257,409.17874997973,0,0,863.993998313475,0,0,787574.453041057,1111764.24161951,1043273.594278,1640464.82137501,705525.685155979,172.798799662695,1057720.55909391,12.5795777134683,0.000200941219859158,0.00147345914168855,0.414211812055542]
["POS00151","Benzo[b]naphtho[2,1-d]thiophene",28.8182,235.055907967639,373938.214409645,514076.450780818,628538.416533452,378209.995000238,312555.466035525,9671672.85026972,17112929.5985149,16357526.1543766,15676620.2809355,11929670.3124329,441463.708551936,14149683.8393059,5.00233116461466,{"v":1.17702654180466e-05,"d":"1.18E-05"},0.000173757086517896,1.52969454070928]
["NEG05085","Benzoximate",191.982,362.074920336199,0,0,0,0,0,292955.634344189,305033.888585574,229514.958998869,333551.472895364,269082.019725984,1,286027.594909996,18.1257948141654,{"v":2.00731694722724e-07,"d":"2.01E-07"},{"v":1.53601576906768e-05,"d":"1.54E-05"},0.222947621288973]
["NEG05032","Benzyl 2-methyl-3-oxobutanoate",192.2735,205.088064687273,50628.8266755677,53281.1348848685,53915.7535531814,57172.6491701938,60284.7222228523,2830439.23470437,3594618.81805167,3461108.38310518,4426867.54610272,2931613.46912715,55056.6173013327,3448929.49021822,5.9690888515267,{"v":2.29121484774065e-06,"d":"2.29E-06"},{"v":6.32629877403946e-05,"d":"6.33E-05"},0.765715328669078]
["POS04531","Benzyl nicotite",228.568,214.085461600862,19032.1135097304,11077.0400785242,10081.9834175173,24194.6701350998,28101.2017573984,786602.85131032,1664552.37302779,1123035.95127795,1881115.03122659,1130335.97965915,18497.401779654,1317128.43730036,6.15392958576536,0.000183890633278516,0.00137090467109134,0.459166569115137]
["NEG06479","Benzylpenicilloic acid",28.3182,351.106010985917,392697.562984898,359590.141631185,365056.741531128,213537.143562724,473368.045674907,920212.7920234,1336066.61199416,870435.317840265,1125432.20493384,1213300.2757814,360849.927076968,1093089.44051461,1.59894058401689,{"v":6.76784903210862e-05,"d":"6.77E-05"},0.000630678931679622,0.350657601552916]
["POS03281","beta-Carboline",234.7465,169.075445605007,456886.659550818,271970.173544661,471783.341787683,54988.637908764,245505.463930074,651668.04072955,825083.799277247,620597.182425738,814632.965394386,606647.422579859,300226.8553444,703725.882081356,1.22896054230111,0.00212187255000941,0.00974918132003499,0.245221132667796]
["NEG04549","beta-Cymaropyranose",291.345,161.078844079542,33948.5623915274,29274.2248908889,35506.7569503887,40326.2641751775,38340.7311280328,547790.404463483,655290.861201882,385476.285101653,557820.879101652,738918.990261801,35479.3079072031,577059.484026094,4.02367026891942,{"v":1.66293452871847e-05,"d":"1.66E-05"},0.000220721250651565,0.302235657404119]
["NEG01137","beta-Tocotrienol",624.767,409.310852496031,179724.923874548,161521.171335607,127764.669623651,150986.255953998,130051.046104759,747754.575022265,589478.403900348,338108.444160857,429364.747260108,337952.358465637,150009.613378513,488531.705761843,1.70339723738505,0.00287674976925689,0.0124687032150059,0.219690076222966]
["POS06977","Bikaverin",34.6027,383.075280141816,2698402.91449919,2123410.23066457,1976365.35892436,1817910.12727543,3223763.19773671,899788.119703691,1278287.08973351,828023.421911889,1088639.80683201,1437179.09143169,2367970.36582005,1106383.50592256,-1.0977994724244,0.00217600964129904,0.0099142794873128,0.423640984767161]
["POS00170","b-Imidazolelactate",35.6714,157.060257428646,8645244.68664766,7266289.96953241,8016241.45377646,6151435.33508734,10066813.5080732,2420149.80649541,4226936.44975744,3743467.97551316,3505202.49667154,3043393.85151139,8029204.99062341,3387830.11598979,-1.24489561478725,0.000210508193706129,0.00153136469140372,0.853394481948625]
["NEG04995","Biotin sulfoxide",194.064,259.071893132804,12183.2790098777,8578.37076738268,6567.51431301811,7155.57650557768,12105.2353385296,160570.963537895,185157.13331981,136735.802347953,494763.176007467,188550.833848337,9317.99518687715,233155.581812292,4.64512957316793,0.00953552457395497,0.0336110334273448,0.174428873276288]
["NEG05643","Bipacryl",43.82305,321.104806286363,2655.42293641096,0,4700.18059238369,3138.74702940784,4216.30584511179,29809.0899789219,59741.8951781067,33485.2790854808,33690.3482173869,50770.3468926543,2942.13128066286,41499.3918705101,3.81815666790141,0.00017941200643201,0.00134649312880937,0.0790061173217129]
["NEG05871","Bis-D-fructose 2',1:2,1'-dianhydride",35.86135,323.098077390187,53700.9946748211,65550.5020060124,141568.254135433,73704.3156025365,119628.806256593,150979.816180524,270919.615411016,331454.971480109,290055.581161916,201383.957003409,90830.5745350792,248958.788247395,1.45465703261227,0.00247959866947436,0.0109923140223576,0.154697476230249]
["NEG02524","Bis-gamma-glutamylcystine",522.125,497.092542425088,142933.181635068,131503.78203773,107354.914029766,128505.495292104,277759.193026961,2783707.77517085,2426344.63420199,1568494.78276049,3014709.15618634,2556054.96740109,157611.313204326,2469862.26314415,3.96998759022018,{"v":1.45316997944667e-05,"d":"1.45E-05"},0.000199017331354972,0.624679117177878]
["NEG02971","Bismurrayafoline E",483.046,723.409068882991,195142.682515528,133341.269328717,268048.217996651,254636.532208113,193864.15695796,92321.3718826661,34912.0486765195,6741.913208519,28478.7577403549,38875.5444328253,209006.571801394,40265.927188177,-2.37591684645379,0.000316561825848034,0.00210788524462556,0.168875600098807]
["NEG06016","Boc-Asn",33.9761,231.097941789322,34471.534176083,0,62179.4852491738,35355.9695633845,111606.695912093,3113903.65865055,5513500.39282938,3891731.00686278,4351606.13246689,4622251.87787031,48722.7369801469,4298598.61373598,6.46312741485148,{"v":5.13749175305749e-06,"d":"5.14E-06"},0.000100349347648149,0.853701489848338]
["POS07934","Bougainvillein-r-I",34.9266,713.198045380618,1066017.86068679,1166832.83156511,1189777.45038478,1110073.98147687,862228.801396385,396880.818117983,293004.308949893,240334.020896954,281988.775021938,279578.436733047,1078986.18510199,298357.271943963,-1.85456354762911,{"v":1.8854446419394e-06,"d":"1.89E-06"},{"v":5.88457945985531e-05,"d":"5.88E-05"},0.370841592081741]
["POS05928","Breviamide F",29.4972,284.136083670196,627117.038362635,409069.750022107,510996.945164076,623822.705819332,553242.717146754,90784.5774274546,127736.459803086,77975.930548404,102975.913231067,179053.950831315,544849.831302981,115705.366368265,-2.23540287890646,{"v":1.05248199122168e-05,"d":"1.05E-05"},0.000160893540168266,0.273124382953997]
["NEG04840","Bromodiphenhydramine",223.1015,332.058754537098,5927.01932498728,2921.79289600214,4072.52390987821,0,4134.27975925414,9462.4981877531,12230.501734223,5609.42752175319,9069.93365521816,13682.554019801,3411.12317802435,10010.9830237497,1.55326488816448,0.00473354770902803,0.0187207417351745,0.0309099534171849]
["POS07397","Browniine",377.2245,468.297285864245,213724.29170793,182002.224150307,314146.253333799,266765.877576102,216178.878766984,8058.15112192282,28492.7946576006,7159.29534201733,9253.16398540791,0,238563.505107024,10592.6810213897,-4.49323367110562,{"v":1.15015581450308e-05,"d":"1.15E-05"},0.000170918503597086,0.199940355541011]
["POS01229","Brunfelsamidine",29.0832,110.071250583429,518967.851584434,562030.372581294,542910.430849956,513910.631986906,423979.098859137,1351900.18802689,2213913.22253649,1654110.26408637,1930321.70735264,1885224.77665259,512359.677172345,1807094.031731,1.81844273364809,{"v":2.10717846138759e-05,"d":"2.11E-05"},0.000264218790876312,0.467005257368336]
["NEG03099","Buddledin A",465.352,275.16491600256,91539.9762402341,164330.021528686,216962.255784623,158165.68651126,194439.758499553,523190.498575612,407554.324578081,224286.487996169,244264.253703609,409232.791061305,165087.539712871,361705.671182955,1.13158498389941,0.0112864004757768,0.0389838373190346,0.160729959681503]
["POS04619","Butylate",38.89395,218.15728928635,0,8584.66902700325,0,0,0,40003.3502237424,67430.594933709,64068.4411195824,79715.7524087346,176010.111851048,1716.93380540065,85445.6501073633,5.63710072470525,0.00753511050294588,0.0275139177793281,0.109225934399345]
["NEG05978","C-1027 Chromophore",34.3797,842.226608848014,2133218.29205067,2421003.26456164,2379967.13702758,1536096.60945431,2193036.77202407,224474.680177813,355785.941404774,277483.056490296,514985.813080029,374175.943853167,2132664.41502365,349381.087001216,-2.60978355028515,{"v":5.01323513877513e-06,"d":"5.01E-06"},{"v":9.96631145588496e-05,"d":"9.97E-05"},0.547591437844929]
["NEG06487","C20913",28.1538,233.077168823186,30906.2881548108,54911.2412980942,0,14771.6750154857,19563.3352928851,133692.42982012,342703.270480186,178025.576472704,210337.911514411,378117.640551808,24030.5079522552,248575.365767846,3.37074428068346,0.001679622175801,0.00806976368674315,0.185497399181094]
["NEG05798","C20916",36.8619,272.124998832915,4533.8857875697,0,3475.16229924215,82199.4016508062,15700.9080480682,107617.374994428,366739.702875533,132191.146970122,386876.926227598,228473.962538597,21181.8715571373,244379.822721256,3.52822320197714,0.00578774927399824,0.0222029180982797,0.175312884739395]
["NEG04493","Caffeic acid 3-glucoside",306.68,341.092874220865,1278.76646654063,4353.05589745115,0,1102.27487315596,4771.96450812844,63572.3635815121,76698.0630410921,61275.5605816821,90042.162449069,82069.14401777,2301.21234905524,74731.4587342251,5.0212496610817,{"v":1.12654835250236e-06,"d":"1.13E-06"},{"v":4.38178328760266e-05,"d":"4.38E-05"},0.112326375817509]
["NEG05921","Calaxin",34.7826,343.113345236476,5264057.4398711,5568834.00368556,5374821.56781691,5461102.78277584,4937084.06027666,1288456.5078452,1522276.9499176,1237822.25828227,1519377.46049804,1697688.17181071,5321179.97088521,1453124.26967076,-1.87258811259755,{"v":2.72269323077573e-09,"d":"2.72E-09"},{"v":1.10714607465999e-06,"d":"1.11E-06"},0.828449072957126]
["NEG05865","Carbaryl",36.1273,200.074799249768,375618.021216163,522134.82518444,430802.131925556,190026.508582312,361068.178547204,5831.97621446067,0,3140.84346819978,0,3265.71909479361,375929.933091135,2447.70775549081,-7.26288866557831,0.00012898984054875,0.00105527729206227,0.243501108590255]
["NEG06392","Carboxyphosphamide",30.16765,291.007242269653,153422.736845956,151876.659592125,290162.961762323,219300.996284317,383288.206482384,624436.126659946,516787.392028586,667960.483548267,600870.304662655,401910.48677252,239610.312193421,562392.958734395,1.23088853247274,0.0010408288327967,0.00540124123178473,0.224833807370435]
["NEG06712","Carfecillin sodium",24.842,475.102319213413,26299.6303151663,42324.6678568164,41315.0137384444,18025.5605140852,58571.1151800827,0,0,816.253862321124,0,3007.98284775115,37307.197520919,764.847342014455,-5.60813835513705,0.00083688342374474,0.00453193650654991,0.0731675871738603]
["NEG06515","Carmine",27.8275,491.084879561918,10998.3183362827,9082.34282652775,0,17513.2364276985,29613.4855635396,139081.18676816,212220.35159617,78433.0010032029,81685.9267342907,205025.691407469,13441.4766308097,143289.231501859,3.41416665093013,0.0021530957748669,0.00984744110529617,0.13902319588368]
["NEG02541","Carnosifloside I",520.799,779.471674409145,51078396.2957811,37564225.8839452,46299232.2932414,70639159.11812,43354330.690296,17275867.5035524,9452645.89550048,5686127.55820818,7503611.49840867,8497543.29462164,49787068.8562767,9683159.15005827,-2.36222136970567,0.000154696903982364,0.00121183756832419,2.62263804720383]
["NEG06725","Castamollissin",24.5643,467.0815125834,0,0,0,0,0,11997.4789097135,25241.7801990624,25367.7194257408,16691.1746446455,19884.6064939662,1,19836.5519346257,14.2758736522936,{"v":5.50362922944044e-05,"d":"5.50E-05"},0.000543096641975991,0.0577480680367846]
["NEG00103","Castanospermine",37.1368,188.091747142682,35975361.7722313,61412782.5882412,58637102.488283,26930383.5658862,69590139.6356276,681758.720739986,924514.014277318,666822.849945338,1152417.91881552,880905.096993391,50509154.0100539,861283.720154311,-5.87391250576516,0.000283288235196458,0.00192575725840996,2.75948533594568]
["NEG04677","Catechin 7-O-beta-D-xyloside",271.388,421.115209335354,0,0,0,0,0,40485.9816610252,56398.5040951026,39731.7927086652,98103.3952128423,46332.7383820474,1,56210.4824119365,15.7785515760727,0.000861426532589954,0.0046312029810996,0.0933357587675889]
["POS07076","Caulerpin",193.688,399.132551425042,0,0,0,0,0,59688.96652412,146919.292129186,77619.3111951708,73149.2919896916,105785.023700259,1,92632.3771076855,16.4992289156764,0.00033329377335807,0.00218384843184527,0.121577168158388]
["NEG06584","Cavinine",26.74195,346.125100604371,9286.63489094999,18334.6221861527,5140.1265871283,8922.98774546981,23144.9485517722,124225.412460831,86043.8092651805,69947.778254662,136937.647966458,152490.368072899,12965.8639922946,113929.003204006,3.1353448146279,0.000220888332411672,0.00159103624940001,0.128614565215166]
["NEG06593","CDP",26.5145,402.010322204133,663731.531900176,463397.419442049,614158.353464074,400548.190681541,417457.971794882,176750.9739146,153711.173922075,161254.369009109,116689.353600235,101853.79714613,511858.693456544,142051.93351843,-1.84932711812734,0.000154606295922666,0.00121183756832419,0.247986247822183]
["NEG02786","CDP-DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",502.4675,998.488067462594,0,2537.44069723025,2692.59691378093,3717.84385255039,0,11086.5746099849,26165.57183744,13707.1288779977,23821.1467552139,15590.1184197425,1789.57629271231,18074.1081000758,3.33623450176071,0.000671282560871826,0.00376743650536973,0.0500927674743327]
["NEG04303","Ceceline",343.317,303.113680619406,0,0,0,0,0,16087.8537929453,30989.7483151962,19640.5781575437,51141.8357189705,29824.5438489281,1,29536.9119667168,14.850231382254,0.00130378560113616,0.00655999211910243,0.0672415992923858]
["POS07054","Cefdinir",35.8529,396.03360945687,2425456.35917074,1913423.28929065,2177616.50257002,2356123.53236246,1735815.60512288,1263480.67715016,529977.865434948,466776.180194676,726580.391705292,521306.510690859,2121687.05770335,701624.325035187,-1.59644120745243,{"v":9.16463052345758e-05,"d":"9.16E-05"},0.00079463993831969,0.494141002613051]
["POS07656","Cefonicid",31.65695,543.046881866773,814865.353240519,729896.714839064,521127.542730353,1051600.37668595,197457.780298427,35579.2427058449,88605.0182315094,35752.4245986308,31903.4645984531,156410.323027418,662989.553558863,69650.0946323712,-3.25078892048679,0.00363040550402817,0.0151199290684525,0.303010871588417]
["NEG05888","Cefoxitin",35.2401,426.035370630717,2334583.48993553,1441591.67461352,2015055.13033209,1445144.93402223,2206917.1287913,1492605.18137072,1251336.57359801,218814.534025863,175726.131026755,213453.392923238,1888658.47153893,670387.162588917,-1.49429541308535,0.00774440104115957,0.0281631754935827,0.415498228027135]
["POS07696","Celecoxib glucuronide",177.086,560.107615510302,0,0,0,0,0,28179.8967152932,77680.9344606123,68249.0308696594,82561.1541988833,52583.6925676515,1,61850.9417624199,15.9165079418591,0.000237885142583025,0.0016836396246422,0.100288032153882]
["POS00181","Cellotetraose",34.859,667.227031766185,12056163.5834842,16939678.268796,12541603.8465427,12364797.3798177,9845295.01983255,2393113.15942583,2158206.11671048,2100651.32110964,3407460.64090235,2494637.05744937,12749507.6196946,2510813.65911953,-2.34421466432298,{"v":2.39944100777624e-05,"d":"2.40E-05"},0.000292444131547224,1.31176532552098]
["NEG03523","Centarol",426.0105,237.185458190934,38767.1130481628,42560.7619324062,48574.6489944066,62083.6703360891,39447.2672856898,256275.097124258,293140.043637821,200139.219834782,229817.385730787,317192.555985313,46286.6923193509,259312.860462592,2.48602438215245,{"v":9.10040237761808e-06,"d":"9.10E-06"},0.000148500568321105,0.189736745716138]
["POS07394","Cephaeline",377.4925,467.294711073694,1807105.87128943,1757698.1881772,2316708.75747466,2175295.19533285,1563525.6024644,359410.898533585,278764.013013887,144345.535521382,255515.724699447,293435.029823396,1924066.72294771,266294.240318339,-2.85306569994704,{"v":2.89811251645148e-06,"d":"2.90E-06"},{"v":7.38484821195406e-05,"d":"7.38E-05"},0.542489286668221]
["NEG06208","Cephalosporin C",31.5748,414.093432902094,3948530.24914778,3713556.19152567,3415813.25096608,4364103.4242034,2882407.08451854,1366846.90892682,1414837.27794691,892090.651261482,1243079.33949961,1806496.05795099,3664882.04007229,1344670.04711716,-1.44651455360699,{"v":4.34424122281588e-05,"d":"4.34E-05"},0.000452955500924369,0.632899727317252]
["POS07308","Cephamycin C",28.9868,447.122911236887,7200.95528807683,0,0,0,0,121010.559728264,410373.43585453,444210.189499374,275306.185176502,209582.289029285,1440.19105761537,292096.531857591,7.66404120436799,0.00136668229898372,0.00681710026531839,0.211848890569275]
["NEG05814","Cephapirin sodium",36.6946,444.032670623833,896913.729436563,1076610.33475126,1005365.27486435,445433.755932624,971517.049659654,201548.058361109,425316.237884324,309843.324654763,450311.711078754,412315.877949137,879168.02892889,359867.041985617,-1.28867494270393,0.00269361657686108,0.0117891848809194,0.269178731992708]
["NEG01223","CerP(d18:1/26:0)",600.1,756.64385862944,8172.01321735563,2959.61558743403,10266.4156510284,0,0,76694.2672821506,74211.0694413517,49699.4400816858,58245.6264416123,60640.1194414019,4279.60889116361,63898.1045376405,3.90022227452892,{"v":4.59540883013544e-06,"d":"4.60E-06"},{"v":9.51000273608813e-05,"d":"9.51E-05"},0.10038207628081]
["NEG06250","CGP 52608",30.8392,243.038281203949,141336.364923576,211065.794344005,246970.602133544,215816.956728927,235059.956767113,803583.727331513,844515.388994144,502529.324600804,894177.937607089,1311314.64161741,210049.934979433,871224.204030192,2.05231169579331,0.000983338517127412,0.00516252721491891,0.320224396285235]
["NEG03677","Chenodeoxycholic acid disulfate",411.794,551.189716417038,54402.1574153913,25269.8218103429,13941.0317143069,36752.8724464509,31347.5998005501,0,10113.8912967183,3442.57539956058,7150.7693037277,8835.53647912155,32342.6966374084,5908.55449582563,-2.45256284230513,0.00518811296995904,0.0202322836221681,0.0617411071522166]
["NEG05147","Chlorambucil",182.4195,302.065864731262,1155761.56236082,1434319.04349289,1027625.20847917,1576688.87916096,1010185.84624322,371796.144933347,444207.71210584,382426.861402507,602845.717701014,293550.032607506,1240916.10794741,418965.293750043,-1.56650294145578,0.000168772514676872,0.00128606381286141,0.369881877337804]
["POS06068","Chlorbromuron",27.5591,292.969339308805,12437.3111255327,21883.1700381548,32684.5884771275,33255.9228683487,7726.59189357062,135837.785427839,209991.079573426,184845.403002799,273603.202056612,199669.270866258,21597.5168805469,200789.348185387,3.2167453799292,{"v":4.95921476651242e-05,"d":"4.96E-05"},0.000503006069174832,0.172592450261564]
["NEG05092","Chlorflavonin",191.8215,377.043875342186,0,0,0,0,0,232136.378223312,172861.765977948,182096.818393192,180023.372565915,140122.83000513,1,181448.233033099,17.4691984821673,{"v":1.77713296256054e-06,"d":"1.78E-06"},{"v":5.71878830326138e-05,"d":"5.72E-05"},0.176594705140124]
["NEG06117","Chloropanaxydiol",32.15375,311.145765760008,86305.6233569102,81063.5811860238,57111.831700829,161419.794224026,103202.289914683,3347926.49669718,6155345.96538405,4489613.14580652,5746655.6657712,4890496.22502285,97820.6240764944,4926007.49973636,5.65413634526632,{"v":1.00080433208917e-05,"d":"1.00E-05"},0.000157073606225785,0.906737620108098]
["NEG06205","Chloroprocaine",31.5807,269.106839407143,18773511.286003,24244842.579696,33619336.2269571,11825853.0981697,22242270.797882,1655977.82135353,2131504.07419299,1341547.76558386,2099026.7974877,1786493.44119508,22141162.7977416,1802909.97996263,-3.61833172147135,0.000452812618833365,0.00276320715421779,1.78450883637762]
["NEG04275","Chlorpromazine",354.9215,317.092798462578,0,0,0,0,0,148834.414047597,187446.309346011,146534.069166154,276789.420822253,218411.25027242,1,195603.092730887,17.5775696557302,{"v":4.1303519546463e-05,"d":"4.13E-05"},0.000432671294921146,0.18108785965159]
["POS06817","Chlorthiophos",27.649,360.95632261224,11888.8439857321,22085.7764981942,34835.1024784531,27084.5118818189,40282.3472474869,343598.222737572,533707.476298405,341117.199046396,472668.63418223,485455.632397163,27235.316418337,435309.432932353,3.99849074939059,{"v":6.78215646930744e-06,"d":"6.78E-06"},0.000121346343548849,0.263973220903932]
["POS03738","Choline sulfate",32.9989,184.063400079062,1251695.50519254,1288895.52660081,1303419.7192782,1320997.60126527,1203157.42261687,6260534.90091791,7088864.76546292,5562521.73280506,4082038.926853,5525943.01095884,1273633.15499074,5703980.66739955,2.16301929457622,{"v":1.95694987985201e-05,"d":"1.96E-05"},0.00025237971057078,0.861807895629988]
["POS05838","Cidofovir",92.9005,280.071026916236,0,0,0,0,0,213109.164186943,190985.572976378,98475.9782204093,306910.18322669,229377.834066918,1,207771.746535468,17.6646399597451,0.000262977723423654,0.0018096913182677,0.182331406079312]
["NEG05628","Cimifugin",44.4456,305.105300604788,136104.906487357,92344.0656741813,107383.671164707,209491.156014896,66976.6444298397,24444.3689298857,29773.2462851375,14293.1595329974,20776.0920383348,24623.1021762453,122460.088754196,22781.9937925201,-2.42634571700479,0.00367523979316598,0.0152782040844158,0.125375351534416]
["NEG06146","Cinchoin 1a",32.1179,451.10020295906,154057.327201293,64560.9344002212,85337.674114147,106830.579870804,103392.307406192,578868.32709341,1031395.78121979,761020.179471681,993149.301317721,913452.213103554,102835.764598531,855577.160441231,3.0565558728346,{"v":2.01368063891093e-05,"d":"2.01E-05"},0.000255161288890894,0.356525350051013]
["NEG05699","cis-3,4-Leucopelargonidin",37.7945,289.067275959436,225549.58405177,191468.206131154,192029.181684874,287508.819981682,202289.695087545,17613.6030834146,45341.6799292179,68297.3265014935,74169.2119678086,52587.8377231537,219769.097387405,51601.9318410177,-2.0904915549317,{"v":3.764827303227e-05,"d":"3.76E-05"},0.000406765036892134,0.169747745618503]
["POS05034","cis-4,5-Dihydroxy-4,5-dihydropyrene",30.8031,237.089463995622,238115.789951186,259322.621488604,228115.35929898,269222.537661045,386055.531165858,667405.039537106,932997.860805623,566905.382846127,594866.187472142,759891.357747885,276166.367913135,704413.165681777,1.35088423776458,0.000343805504620463,0.00223848911523629,0.262404210304508]
["NEG03298","Citbismine C",450.6965,683.221296816105,76215259.3122887,75705518.3691349,65925198.684129,77765018.5680049,58374916.2625119,8653256.52519515,9793484.7214354,6372234.09821331,9717122.30296872,10368180.3851633,70797182.2392139,8980855.60659518,-2.97876713925658,{"v":2.08737803324269e-07,"d":"2.09E-07"},{"v":1.55614032378242e-05,"d":"1.56E-05"},3.3080805799915]
["POS00012","Citrulline",32.8559,176.102323473576,23376590.822514,26408210.4423979,29455877.2395824,24115392.0051912,24591675.9486274,193142074.761387,148340620.623959,128314197.84085,120854872.234521,144756351.302457,25589549.2916626,147081623.352635,2.52299036234378,{"v":1.13584013505259e-05,"d":"1.14E-05"},0.000169353764136342,4.52668509137158]
["POS06832","Clavamycin B",34.9476,363.156416598153,1384928.63629165,990091.914050964,995976.018124199,1486647.78749996,707535.578758287,551840.211723583,135721.7724729,242268.746623692,281993.226063428,220510.956713203,1113035.98694501,286466.982719361,-1.95805946579636,0.000827025902015663,0.00450380600573093,0.369049095810421]
["POS06396","Clavamycin D",44.4588,316.149132139378,0,0,0,0,0,89440.5808651137,274587.701334193,93382.4118292033,406672.958425057,213600.441859856,1,215536.818862685,17.7175748117484,0.00676859252743469,0.0251879487314604,0.172965512445474]
["NEG06047","Clitidine",32.637,269.076200084828,7564647.22543497,15480209.2780533,24977265.290428,8616372.65627842,15232832.3739539,4961919.1489718,489443.328783638,5453369.80188905,1213218.59458798,3408216.33204217,14374265.3648297,3105233.44125493,-2.21071459045131,0.00869453310350336,0.0310132747782859,1.2303974211622]
["NEG05794","Codeinone",36.8806,296.13474476274,215320.569619832,281934.588829567,276077.594533818,118599.584182622,332333.2537998,1100862.38445501,2070607.40889953,1497282.2563436,4034430.94946309,1651271.42447901,244853.118193128,2070890.88472805,3.08026306600664,0.0076448900002081,0.027869268924964,0.504286340014499]
["NEG03996","Compound III(S)",397.104,369.219615206944,36775.442885269,36731.6467163918,40638.3930468935,16217.2567970883,32880.6440746688,77170.8078358,76649.8141707504,55135.6358450537,79421.1295673213,68432.4693351483,32648.6767040623,71361.9713508147,1.12813095124613,0.000244375641655023,0.00171331072903279,0.079276878136423]
["NEG05117","Compound VII",188.682,347.124458725438,1189.72267462114,0,908.124550655864,1108.18799002788,1009.56167896616,78601.9736786207,94957.0513231073,95325.568009014,107840.520151951,70380.9816330545,843.119378854209,89421.2189591495,6.72873648258222,{"v":9.67832671416891e-07,"d":"9.68E-07"},{"v":3.97166563233739e-05,"d":"3.97E-05"},0.123959002025269]
["NEG04158","Convolvine",371.132,290.137944633696,0,0,0,0,0,31944.4949573433,48912.4539571038,38166.521175344,78563.1323296939,56002.6961563804,1,50717.8597151731,15.6302062448324,0.000245397282301931,0.00171509694333834,0.0906906643731304]
["NEG05190","Coptisine",177.334,319.089183041525,40230.5336380508,47190.4536938618,88967.2949861488,38223.4211167922,82383.5380577817,177356.9743329,408354.252355987,299182.609684249,200632.026443716,302271.125491726,59399.0482985271,277559.397661716,2.22428481976135,0.000923038981772234,0.00489791653631515,0.184668518423392]
["POS08066","Corynebactin",35.13125,883.254095182549,1036156.37971897,1652056.06392152,1289125.0773126,1414739.850282,735787.500378456,170107.842566713,25582.5355781391,75090.912923826,161637.310674179,85232.4957290135,1225572.97432271,103530.219494374,-3.56533254580949,0.000111599136021519,0.000933052215746271,0.433064245585832]
["POS06775","Cristacarpin",29.57235,355.153395933843,19829.0855031068,19709.4523108054,23496.5769625011,0,54342.1738153047,509530.166154349,2689702.18046505,1895919.86641736,2429795.22180407,1287124.70810619,23475.4577183436,1762414.4285894,6.23025611363085,0.00227892946701271,0.0102966176827756,0.510087414049181]
["NEG06163","Cromolyn",32.1076,467.073636789589,1476438.40095576,1289147.89814178,1023993.85952883,1737494.01571786,1518007.67136452,2598873.38658967,4356171.39056852,2460081.71980198,3465940.18521141,4005098.6952279,1409016.36914175,3377233.0754799,1.26115337641326,0.0010477897977674,0.0054307807246971,0.548554493044853]
["NEG03990","C-Toxiferine I",398.941,613.355232098017,20451.7320253497,38470.2699800918,41032.3496880535,26750.0580231234,38519.3014530885,0,0,0,1061.93462560951,0,33044.7422339414,212.386925121902,-7.28158197754567,{"v":3.7241080092531e-05,"d":"3.72E-05"},0.000403339833544531,0.073417596176061]
["POS06337","Cupreine",216.212,311.179755153366,261664.349400174,141692.055905081,184022.957241612,185471.895704096,144598.973289314,31403.5263876541,43744.2497887742,81016.3105740708,59311.3265735995,47484.359223749,183490.046308055,52591.9545095695,-1.80278778528428,0.000488284793047062,0.00290825283528563,0.146021008622908]
["NEG05648","Cycasin",42.8745,251.087988680803,440653.864031543,513149.660194727,495950.027091923,414118.391281954,547888.557018231,5740.11172447498,5289.91276057708,6923.14976885031,6929.81111040577,6161.96170097917,482352.099923676,6208.98941305746,-6.27958436523199,{"v":4.80980776190869e-08,"d":"4.81E-08"},{"v":6.94008713516696e-06,"d":"6.94E-06"},0.286903496061389]
["POS00130","Cyclobrassinin sulfoxide",28.7194,251.0297903514,963447.13796513,1452912.46664687,1399425.08890339,1213721.07073242,759032.662038005,13080146.5310814,22849758.0559296,19669324.1808011,19886260.7729414,17062513.6075982,1157707.68525716,18509600.6296703,3.99893083543847,{"v":5.64129352361179e-06,"d":"5.64E-06"},0.000105579522724333,1.72531155968762]
["NEG01139","Cyclopamine",624.657,410.314341278216,0,23181.7429204858,27068.4457880825,5407.39556770719,4428.49347848148,198056.673906659,148809.346870039,80427.2995893873,96628.4389059148,80185.4798665311,12017.2155509514,120821.447827706,3.32970201968138,0.00176697283683808,0.00843507950819286,0.126481209266168]
["NEG03094","Cyclopassifloside VI",465.887,665.375288174283,1932.62136232642,1322.83060582384,1419.2966531422,0,1472.62750612958,17403.2999341521,24940.2099426294,19215.7870764194,32638.9073517769,21665.6940611681,1229.47522548441,23172.7796732292,4.23631654263127,{"v":3.92244459300228e-05,"d":"3.92E-05"},0.000417740349154742,0.0606772294242847]
["POS00127","Cys Glu Arg",37.27515,407.169368192112,0,0,0,14971.5763794826,0,1968237.4668474,9092863.64799115,7471022.37560935,5358547.85402882,3987190.37356546,2994.31527589652,5575572.34360844,10.8626780599221,0.00217657555478229,0.0099142794873128,0.914770107623753]
["NEG05076","Cysteinyldopa",192.171,315.059707386267,90329.4007114084,205081.676993215,267504.24931142,44622.9326093174,363424.952127994,636006.246426178,908925.278815107,859350.707961569,1050232.51929706,967808.218374749,194192.642350671,884464.594174933,2.18731585145561,{"v":6.26322170617412e-05,"d":"6.26E-05"},0.000592291557964415,0.343694373336357]
["POS05274","Cysteinyl-Glutamate",84.028,250.060936503898,3879.22822193534,117354.462399662,555014.219646066,42816.5203440822,905099.601900637,18855546.8744015,16686877.1234034,12077261.3133861,24977582.7239755,18180048.0967712,324832.806502477,18155463.2263875,5.80456258500584,{"v":2.67128515569263e-05,"d":"2.67E-05"},0.000314438381616135,1.72952425928553]
["NEG06183","Cytidine",31.8494,242.079142000777,5459488.32337632,4967557.69789313,4762279.76917881,6537222.45401666,4021697.25714407,2585085.29859446,2550987.86205698,1790261.98142004,2120509.97862404,2992019.38633397,5149649.1003218,2407772.9014059,-1.09677480463614,0.000365825551816932,0.00232434331431412,0.678531070294993]
["NEG06051","D-Alanyl-D-serine",32.6359,175.071204042607,183769.081535823,271869.478505757,342697.215852098,265249.900148628,404470.728215944,2142402.58314023,2110510.03858851,1723314.34032794,1253689.54038603,1564631.37127805,293611.28085165,1758909.57474415,2.5827020117915,{"v":2.7919342258785e-05,"d":"2.79E-05"},0.000323915750316479,0.495281068109404]
["POS04502","Danielone",28.9855,213.074095056972,1552564.06472167,2357804.01199085,2377149.19349376,1920904.01359128,1226174.8206723,31957023.394058,54431069.5040525,52452630.4817595,49023186.7181077,40605692.2013153,1886919.22089397,45693920.4598586,4.59789766108598,{"v":5.92687408822082e-06,"d":"5.93E-06"},0.000109549205771123,2.74433558093899]
["POS03084","Dazomet",199.391,163.033593238925,69474.6830666561,95406.5000817402,77726.8288045151,521286.213279282,75669.6780260382,504286.403367314,508077.189609565,526386.070372139,430967.733132978,523542.699618642,167912.780651646,498652.019220128,1.57032134723562,0.00632199513705674,0.0238067455131237,0.209082509841396]
["NEG06334","Dehydroascorbide(1-)",30.4567,172.000540574157,153881.385254976,160075.426590758,216730.943336583,164819.074788231,159165.029443025,1146256.7903809,1159283.07288035,733596.172936771,826617.403201142,1202667.16018505,170934.371882715,1013684.11991684,2.56809372388211,{"v":2.51514379562828e-05,"d":"2.52E-05"},0.000300006351942541,0.374956239780409]
["POS05132","Dehydroisochalciporone",38.25395,242.157248047144,893196.978240197,581330.811017664,413263.138029402,462181.874610224,558803.015524163,72807.1748330785,158878.386271426,62335.0716062077,74740.6116211061,147532.748463063,581755.16348433,103258.798558976,-2.49414739341105,0.000541174156613258,0.00316427712749164,0.273814836966461]
["NEG06022","Delavirdine mesylate",33.8777,551.165145421178,656394.630029885,649316.560189345,547705.391693703,650013.887833885,488419.279926679,0,0,0,0,0,598369.949934699,1,-19.190678199514,{"v":1.14163281442061e-07,"d":"1.14E-07"},{"v":1.06385907893821e-05,"d":"1.06E-05"},0.325309028464574]
["POS06839","delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine",191.8875,364.152343897299,4201.03214182594,0,0,0,0,424299.553585833,774901.789384659,544963.522239932,561632.122110022,834276.842256957,840.206428365188,628014.765915481,9.54583894106442,{"v":3.6473416759004e-05,"d":"3.65E-05"},0.000400357857213382,0.324954751771725]
["NEG05792","Demethylalangiside",36.8859,490.161027154059,10694.0291787716,0,0,0,4916.70996414874,398678.541887086,505783.723277977,270158.442881633,275936.555348473,519493.170932284,3122.14782858407,394010.086865491,6.97954990550174,{"v":8.538047469727e-05,"d":"8.54E-05"},0.000750308179412355,0.253469765425025]
["POS03262","Demethylphosphinothricin",28.1891,168.041577158433,397655.782630261,431312.363072029,368391.807808682,373231.220855248,384866.881716502,108338.528218848,150208.47150936,56630.2537204868,66234.7536219292,100286.249366222,391091.611216544,96339.6512873692,-2.02130498403597,{"v":4.58800555434133e-07,"d":"4.59E-07"},{"v":2.77280564190125e-05,"d":"2.77E-05"},0.226443624959336]
["NEG05867","Deoxyloganin tetraacetate",36.0711,541.188247954085,821186.621804892,803697.382705095,765733.312165893,891049.48450473,619173.52645037,0,0,0,6810.86436391907,0,780168.065526196,1362.17287278381,-9.16173132899179,{"v":1.28954379206674e-07,"d":"1.29E-07"},{"v":1.1536258763829e-05,"d":"1.15E-05"},0.372358022776318]
["NEG00169","Deoxyribose",706.101,133.049174153183,44117700.5894259,44723490.6942588,35873240.4949021,39209966.8932948,34681411.1182837,12688366.2456028,18302614.7301819,13034366.0371277,16992275.4707927,16829677.0550926,39721161.9580331,15569459.9077595,-1.3511889271198,{"v":6.95998326607517e-06,"d":"6.96E-06"},0.000123020517456116,2.03433607004993]
["POS06513","Deoxyviolacein",89.7428,328.111291328995,0,0,0,0,0,407358.397481361,1130830.54777424,1373105.36810042,1401406.45247793,343512.246298378,1,931242.602426466,19.8287975345124,0.00386883493027696,0.0158328441382697,0.368875424624537]
["NEG04835","Deoxyviolaceinic acid",223.467,356.103267835675,294399.162293981,236498.509507495,232441.384837842,255070.704999715,221263.660752676,758262.697938687,1179191.72528181,920363.183835565,1060474.49572357,886398.656596316,247934.684478342,960938.15187519,1.95448346955139,{"v":1.10413119271547e-05,"d":"1.10E-05"},0.00016685063598028,0.347425423782759]
["POS05807","D-Erythroascorbic acid 1'-a-D-xylopyranoside",93.1927,279.073314342179,2863663.05577383,2893228.26008975,2350427.99733339,2264414.326176,2950574.74577633,6229304.25045248,6628592.36747118,5872441.63627278,6428093.38720003,6083068.42929489,2664461.67702986,6248300.01413827,1.22961964365545,{"v":8.66341536244857e-08,"d":"8.66E-08"},{"v":9.0016636558591e-06,"d":"9.00E-06"},0.796353845819452]
["POS07158","Desacetylcefotaxime",35.5025,414.044146487871,2539544.88345729,3454051.88657069,3315421.62605722,3704175.6244655,6115954.7255788,11288878.3086934,7566036.73390914,8421873.93057423,7238227.50224752,8206425.77890727,3825829.7492259,8544288.45086631,1.15918767783019,0.00102106430209349,0.00531690410158811,0.86313974565804]
["NEG02752","Descladinose roxithromycin",506.622,677.422923281491,73620.2711491057,40363.5140089964,101708.623387075,69447.4249010014,59490.5227497344,42022.864455567,8286.9858217896,0,21015.143352219,7659.38846701363,68926.0712391826,15796.8764193178,-2.12541046793163,0.002705771995713,0.0118308095179123,0.0913627221189517]
["POS04554","Dethiobiotin",178.871,215.138269678047,330126.853180882,431200.247295501,417019.731723971,446137.737070744,275319.412592374,636145.506802005,1121332.5232363,691336.212051933,964774.359988192,1284529.91307833,379960.796372694,939623.703031352,1.3062325356394,0.00238331735739856,0.0106392999397642,0.287426364814551]
["POS07129","Devazepide",29.08095,409.166983833835,0,0,0,0,0,294599.246983596,706954.155229848,781463.872563491,676988.416395802,335487.495640534,1,559098.637362654,19.0927433032664,0.000560296699942432,0.00325481446602922,0.298137174656428]
["NEG05771","Dezocine",37.02185,244.16608852716,0,0,0,0,0,44798.9274711638,117644.70566161,128779.935365672,205805.276378316,183204.624643948,1,136046.693904142,17.0537423722515,0.00128953733849481,0.00651027146172382,0.145618523724754]
["POS05490","D-Fructose 6-phosphate",180.859,261.036945222677,4948.26920713037,3640.12027868005,8897.6927771254,14089.5840472024,5516.89035511603,134322.375859022,350840.973110027,135788.244758015,198990.915026897,488712.298875923,7418.51133305085,261730.961525977,5.14081107681875,0.00622745703879936,0.0235202011384628,0.189383384328258]
["NEG01027","DG(10:0/0:0/13:0)",650.0155,441.358155263815,0,2522.38213619304,3500.69901231453,0,3403.61137763631,70859.6767010769,84661.7469728128,47533.3271865337,54780.9898122049,80851.5998441068,1885.33850522878,67737.468103347,5.16705858049405,{"v":1.76509608726789e-05,"d":"1.77E-05"},0.000232213964657332,0.105314347182913]
["NEG01243","DG(13:0/0:0/8:0)",599.3875,413.327060514168,100558.462069149,114615.635010596,68811.5628213609,58314.459786664,121205.806227052,310398.921267463,335600.358068019,206316.165159348,208106.953518209,298099.035553653,92701.1851829644,271704.286713338,1.55137763841275,0.000317559307688848,0.00210929999607028,0.170378833003566]
["NEG01864","DG(18:2n6/0:0/22:2n6)",547.521,685.562711012447,370229.226047799,430527.295411573,239153.68389138,372540.093612467,481854.27997582,925714.773938021,966904.910783822,1018171.92874679,780410.610870369,946554.895547509,378860.915787808,927551.423977302,1.29175895218364,{"v":1.10842534093456e-05,"d":"1.11E-05"},0.000166935574074084,0.309252587592059]
["NEG01225","DG(22:4(7Z,10Z,13Z,16Z)/24:0/0:0)",600,755.641131506909,40628.764147516296,19025.0811988616,11095.9155428825,17065.8885179486,12985.5993690452,251556.486210647,218848.159551775,162781.906322729,188899.311733944,248870.429327937,20160.2497552508,214191.258629406,3.40931418649878,{"v":4.79595054359684e-06,"d":"4.80E-06"},{"v":9.79556474041491e-05,"d":"9.80E-05"},0.18183260702013]
["NEG00037","D-Glu",28.3457,146.044450355924,47431328.9792738,43167334.4225375,36198584.6324882,57469544.9895835,47243094.2570139,128659195.569911,168415754.339295,127496448.641777,127991185.292814,157987084.280024,46301977.4561794,142109933.624764,1.61786168965076,{"v":7.51027502049157e-06,"d":"7.51E-06"},0.000129704479407949,4.0337710419927]
["POS03593","D-Glucosamine",189.8285,180.087309270807,871753.544764183,1112779.89296435,1005833.26151309,849656.809234712,754986.24966041,217305.810997221,385389.518567812,226960.946913582,374797.838003712,374800.462181113,919001.951627349,315850.915332688,-1.54082417213969,{"v":3.68144954244985e-05,"d":"3.68E-05"},0.000401957635904436,0.318078479685308]
["NEG06486","D-Glucosamine 6-phosphate",28.1618,258.037930441686,215201.067947577,491261.636400116,396186.051509795,104403.194858617,230107.892818017,1000594.91802567,781890.070413025,734637.30937981,1481559.7222302,997678.384026242,287431.968706824,999272.080814989,1.79765701719759,0.0014072659284351,0.00696316426757767,0.331956078301562]
["NEG05783","DH",36.9337,664.111074872386,639445.490009488,723786.774592731,328116.795776537,591944.927466051,277002.648221968,110928.035259018,185555.511897742,104854.261903047,99001.9085095417,148610.609708912,512059.327213355,129790.065455652,-1.98013101151517,0.00280459177419119,0.0122032480602696,0.23926311954769]
["POS00105","Diacetylmonoxime",32.1947,102.055033153497,17035728.6045377,16464817.9764519,15189616.223395,17669282.7877924,17871027.7873468,38253656.0400757,48525896.4583501,41020441.7148502,44288330.448962,43574975.1246284,16846094.6759048,43132659.9573733,1.35636650943232,{"v":4.39403962561244e-07,"d":"4.39E-07"},{"v":2.77280564190125e-05,"d":"2.77E-05"},2.14026447500851]
["POS04915","Diazoxide",291.112,230.99676689221,0,0,0,0,0,207341.285551386,142392.592291403,80573.5909543702,80148.8922886644,182209.953535485,1,138533.262924262,17.079872894713,0.000688330933206166,0.00383425188571753,0.146506641885869]
["POS04369","Dichlormid",36.9912,208.029857515604,175794.431384919,188697.464191749,271463.058975944,158322.654069474,216380.170280232,358057.419970205,377405.03897615,404745.530155416,521854.085010054,417455.303314715,202131.555780464,415903.475485308,1.04095417514726,0.000267148471270274,0.00183275323925144,0.186719091765089]
["NEG05976","Dicrotophos",34.40535,236.064721002983,0,0,0,0,0,52711.1915501555,217097.603394819,114815.026451274,159390.478036965,123634.087807455,1,133529.677448134,17.026800896117,0.00113975759901351,0.00583310725444784,0.143063136905533]
["NEG05713","Diethyl tartrate",37.657,205.070832703135,1268957.85759172,1772902.63526532,1198994.34314761,1091451.03285741,1378134.08500782,176761.669371536,538896.51939568,325430.192559985,372410.790389125,298975.768052767,1342087.99077398,342494.987953819,-1.97032448042401,{"v":6.22007314274034e-05,"d":"6.22E-05"},0.000589457355243168,0.401207501606419]
["POS04342","Diethylpropion",37.0086,206.151193964654,2768055.13928394,2544705.6946313,2600164.5834776,2597899.69135929,2709735.33513775,942008.648768721,1197810.84515938,573240.490743702,1142660.31624191,1078681.20024669,2644112.08877798,986880.300232081,-1.42183632226016,{"v":6.90897072639683e-07,"d":"6.91E-07"},{"v":3.24825488195938e-05,"d":"3.25E-05"},0.538516034637433]
["NEG03822","Difenpiramide",409.3555,287.11873869848,0,0,5148.65076092689,10650.2420696727,0,251135.704046167,407764.361592416,272869.13140904,638962.711126903,404972.157119838,3159.77856611992,395140.813058873,6.96639959654615,0.00046873976592088,0.00282570481531549,0.249204133113538]
["POS06888","Digalacturote",35.40775,371.082352199514,787019.291342862,2207861.50475194,1100421.05925609,1555678.34464824,633971.745648613,706530.31299036,5115703.93134669,6529278.30947436,6129846.49295335,5962837.52966027,1256990.38912955,4888839.31528501,1.95951836906936,0.011225513936699,0.0388034960114796,0.709762481158833]
["POS03527","Dihomomethionine",238.705,178.085629658974,9924.71587387258,4714.29382757857,9915.58717105921,4354.79896797875,26600.5631946251,1759075.93936336,1830096.36970725,1303217.77890323,1784045.33970807,1641058.8488095,11101.9918070228,1663498.85529828,7.22725852969399,{"v":1.25848012188996e-07,"d":"1.26E-07"},{"v":1.14881256841098e-05,"d":"1.15E-05"},0.536212600617206]
["NEG02708","Dihydroceramide",511.166,328.293669648422,57691.1799393692,106572.64612932,57998.580641939,62010.2022090637,67215.6193856828,510455.987061925,663201.514360777,473614.763932997,597737.708559815,652808.26154635,70297.6456610749,579563.647092373,3.04341882732912,{"v":1.11977435548595e-06,"d":"1.12E-06"},{"v":4.38178328760266e-05,"d":"4.38E-05"},0.297429122477875]
["NEG05857","Dihydroclavaminic acid",36.3548,199.071437535286,4347569.37133885,6218292.95384763,5822494.22655158,3054893.5153362,5135692.19787484,139911.555991113,72687.5603911331,106643.98912807,89645.0880647627,110579.681414695,4915788.45298982,103893.574997955,-5.56424448907306,{"v":2.72965620450939e-05,"d":"2.73E-05"},0.000318792485712024,0.888080202708215]
["POS05721","Dikegulac",412.531,275.11439338023,1110447.6916909,1337726.39390515,1243768.59015762,1796426.2725598,1015047.59542758,605859.238832872,775481.634593879,259652.062680744,566486.870577184,735088.03883334,1300683.30874821,588513.569103604,-1.14412215209059,0.00241154603505296,0.0107331795172059,0.335183537660599]
["POS04479","DIMBOA",88.6599,212.052265819767,530522.926456496,442385.369075518,577600.294143525,603823.039556889,559408.517390833,108082.676856259,146496.339224241,105777.866063567,106312.31639417,81529.4501059155,542748.029324652,109639.72972883,-2.30751190562196,{"v":4.77321784990826e-07,"d":"4.77E-07"},{"v":2.77280564190125e-05,"d":"2.77E-05"},0.277235705428273]
["POS04459","Dimethipin",27.38135,211.006437704226,16846.0379010036,18024.8283351151,19959.0479694204,12199.4071732605,34339.4058132948,167532.783035461,275765.586696435,192594.27683082,251138.001431875,204404.54039137,20273.7454384189,218287.037677192,3.42854191597506,{"v":9.54153946901849e-06,"d":"9.54E-06"},0.000152214116212854,0.183874468206351]
["POS06642","Dimethisterone",439.264,341.242170040874,24277.8399967925,19254.198800115,111670.802913604,31433.8738472142,104602.430599169,398776.066014988,166591.155871513,410544.99821228,325926.761376252,294328.151196239,58247.8292313789,319233.426534254,2.45433553246249,0.000659863164139108,0.00372149280580725,0.20412936529324]
["NEG05811","Dimethomorph",36.6985,386.113713142273,0,4755.47919288035,6317.17615283931,0,0,272028.966152437,621567.025409836,371145.33869702,549420.629730677,573307.30841893,2214.53106914393,477493.85368178,7.75233711471664,{"v":9.82633147787679e-05,"d":"9.83E-05"},0.000840404984714013,0.280066847818617]
["NEG04517","Dimethylenetriurea",298.078,203.089746229323,45481.1778825402,74705.7615489802,66729.7279732758,35892.929341718,55385.8238842204,221268.239101344,277716.194891048,142483.949729946,203805.469698642,302736.847178405,55639.0841261469,229602.140119877,2.04496551241227,0.000333460424536176,0.00218384843184527,0.167068541098435]
["POS05393","Diphenhydramine",202.115,256.174531512871,141740.80363955,87007.9927501117,127322.432376155,184235.086558386,126161.97113739,8045.56426439594,78772.9769743512,34590.6502646577,43270.076326515,52227.3615903643,133293.657292319,43381.3258840568,-1.61946207961505,0.00169456551251791,0.0081154084983861,0.119704671589971]
["POS07758","Discodermolide",32.2023,594.39795716654,860269.645668868,543766.202938293,429484.397052622,756545.363658376,932844.272056275,2840248.15758734,3391910.55501758,3178140.96979803,2903370.51673867,2459441.35913928,704581.976274887,2954622.31165618,2.06813424776555,{"v":1.91542889922087e-06,"d":"1.92E-06"},{"v":5.90876790773444e-05,"d":"5.91E-05"},0.623812634715178]
["POS07420","Diterpenoid EF-D",412.526,475.261028317763,381111.980331023,451853.491930405,301171.599548658,320647.763355742,360547.948706458,171199.009047229,147248.665486217,90729.4342316215,144051.070986813,101716.153245591,363066.556774457,130988.866599494,-1.47078984989992,{"v":5.98030683001925e-05,"d":"5.98E-05"},0.000575358957321897,0.194750391594828]
["POS05651","D-Lombricine",34.85935,271.080313345716,1740016.93068657,2407546.76913881,2051426.08921164,2009629.88467234,1478832.81817721,699015.534071956,522628.614338427,813416.517104415,1253682.88650082,605291.641868388,1937490.49837731,778807.038776801,-1.31485140714459,0.000438077432922922,0.00269164884267065,0.430427309234971]
["NEG06530","D-myo-Inositol 1,2-cyclic phosphate",27.8073,241.011368138742,806089.805732275,902639.49703256,766340.083589184,988623.492283327,715760.775654872,141805.575623511,133124.10526328,88455.8759544731,124913.487708417,101079.259772524,835890.730858444,117875.660864441,-2.82604850361188,{"v":5.37555764745758e-07,"d":"5.38E-07"},{"v":2.85776753299112e-05,"d":"2.86E-05"},0.356186617353494]
["POS00025","D-Ornithine",27.0384,133.096774770999,6845409.04821139,234301.269261638,324345.741463811,6903095.80461823,146524.64344669,11724403.3400226,21872886.9729514,16697103.635445,20781629.320658,20038149.035493,2890735.30140035,18222834.460914,2.65623896441169,0.000247635013053674,0.00172266160713699,1.55551466258934]
["NEG04776","D-Phe-Pro-Arg-CH2Cl",245.362,449.203947049746,0,876.823782044248,3003.25674247428,0,0,65751.4201386238,86609.3580552082,51946.3845922941,77381.1206256317,120611.266648647,776.016104903706,80459.910012081,6.69603972077893,0.000129177915795776,0.00105527729206227,0.114404505944294]
["POS07471","Dracorubin",35.0008,489.169730667028,277724.669817129,540415.178793415,392818.075056456,420266.692216452,243779.955046872,0,0,17450.2803516763,52462.6890076739,0,375000.914186065,13982.59387187,-4.74519019167523,0.000156561793463751,0.00122003641491874,0.243393459722495]
["NEG04242","Drotaverine",360.945,396.215317462481,411432.198702958,413318.231588337,552491.789477034,458710.619500399,428864.614001958,182868.896259753,228305.541201583,113484.552107504,185741.91906979,199350.802612938,452963.490654137,181950.342250314,-1.31585000727615,{"v":3.15057743235062e-05,"d":"3.15E-05"},0.000358588622262197,0.216281142528258]
["NEG05831","Dynemicin A",36.589,536.112150467684,0,0,0,27722.7826238562,0,715069.632930114,1167451.6181731,853647.601730045,912190.502038041,1149028.75247874,5544.55652477124,959477.621470008,7.43503327502655,{"v":4.421496467836e-06,"d":"4.42E-06"},{"v":9.28514258245561e-05,"d":"9.29E-05"},0.404806190613332]
["NEG05917","Ecozole nitrate",34.79315,442.009011212456,0,0,0,0,22847.0758600663,51925.4624429204,65741.7226608647,28093.0871429497,55238.1877877576,83297.9002831755,4569.41517201326,56859.2720635336,3.6373141938496,0.000858504372288154,0.0046266145268011,0.0909118507910246]
["NEG00041","Eicosa-5Z,8Z-dienoic acid (20:2, n-12)",560.951,307.263999866321,3570840.57140217,3789411.70693829,3748162.94239653,3310452.08740229,3275131.79323407,7711367.32758955,8754960.24728955,6410307.71720684,7474666.67003075,8316722.48574552,3538799.82027467,7733604.88957244,1.12788090394741,{"v":7.72112342067315e-06,"d":"7.72E-06"},0.000131317813918901,0.843425807675295]
["NEG04538","Ephedroxane",293.224,190.086356461742,3557.44883069742,13285.061129964,10445.7577782514,9333.77917985441,8578.45652073371,45802.4359722507,41720.0478191157,41358.731189957,70709.9120486328,41531.8565248067,9040.10068790019,48224.5967109526,2.41535842700108,0.000162123213803008,0.00124815341710991,0.0800580074169276]
["POS07480","Epothilone D",413.342,492.272818173518,256656.001704327,239182.235360623,153354.910076014,146772.180975212,179367.604907833,20600.9090727705,127931.838361446,14875.2138879604,53061.1510924942,99503.5080111874,195066.586604802,63194.5240851717,-1.62609521971493,0.00304126950058683,0.0130678179405618,0.137922458189601]
["NEG05887","Epoxicozole",35.2401,328.058123204853,599223.969956377,701832.490815122,740743.515841999,427806.020807666,1011733.00756715,2034764.12721024,3094977.38687501,3022289.85466071,3112333.55536456,3045072.50032982,696267.800997663,2861887.48488807,2.03925274119738,{"v":1.26182354169973e-05,"d":"1.26E-05"},0.000181483495241893,0.613174745698237]
["POS06555","Erythratidine",184.4805,332.180267632635,0,0,0,0,0,6503.8247740671,56532.4470486134,16405.3075893847,53183.2182891018,26929.8185959222,1,31910.9232594178,14.9617627293925,0.012318106738831,0.0420602224754132,0.0647876364750412]
["NEG01834","Erythrinasinate A",548.0745,585.486120347877,5417512.44059905,5646521.31262803,5527473.37681246,6021678.09104864,5126981.19888952,12183565.7514595,10542988.8308192,9721400.99826041,12448173.9719349,11751510.7572067,5548033.28399554,11329528.0619361,1.03003941823409,{"v":4.95844999446855e-06,"d":"4.96E-06"},{"v":9.9458057512367e-05,"d":"9.95E-05"},0.990573797673069]
["NEG02141","Erythromycin B",531.4875,716.460265927213,1566636.1371988,2668782.15311829,2043623.85968762,1755351.13004107,1850986.4779897,310736.724736984,334421.603428685,258829.776676134,277318.386856403,218807.364028004,1977075.9516071,280022.771145242,-2.81975223945737,{"v":1.98470012023146e-05,"d":"1.98E-05"},0.000253266143812344,0.531052535894229]
["NEG06086","Estazolam",32.37685,293.062958824117,0,0,0,0,0,47086.0276881847,387672.245723979,435680.525106519,268071.185331374,162628.111785567,1,260227.619127125,17.9894145643294,0.00655892480897083,0.0245506867535787,0.192402619261269]
["POS02439","Ethosuximide",199.803,142.085817037636,3840148.17336951,4391470.80524121,4365715.79282899,3152612.61249976,3394813.75301441,1466992.54772745,2872480.85980603,1622044.73471601,1529943.11151037,1555760.13007125,3828952.22739078,1809444.27676622,-1.08140298077023,0.000559381069301037,0.00325481446602922,0.565061840857104]
["NEG01247","Ethylene glycol distearate",598.9245,593.551236443183,36696.6366070934,40403.5477044403,25456.5898246058,32103.1284349106,16028.2118986095,290319.094255112,378111.293291659,222236.555024025,281475.388005806,282091.443997275,30137.6228939319,290846.754914775,3.27062167365784,{"v":6.89828762938039e-06,"d":"6.90E-06"},0.000122448821068463,0.209873476725927]
["POS05985","Etodolac",450.344,288.15927719277,134492.011431868,333275.711101663,162505.712773386,129521.543320173,212971.612502709,775724.322899888,1194726.82694484,936532.933469348,1112067.34022204,1160853.34529381,194553.31822596,1035980.95376599,2.41275998802358,{"v":1.12292725924334e-05,"d":"1.12E-05"},0.000167988415738979,0.38128039614169]
["NEG05151","Eupachlorin",182.2765,411.126775665398,42131.2673896253,49351.7724720812,43558.1267436939,45918.0722200147,40235.2107962478,2549.47594698045,9408.50905997933,6272.06935251547,1235.1639414195,2623.96315138424,44238.8899243326,4417.8362904558,-3.32390332126265,{"v":8.30764285629981e-08,"d":"8.31E-08"},{"v":9.0016636558591e-06,"d":"9.00E-06"},0.083676288554916]
["NEG04931","EXP 3174",200.071,435.134055794202,0,0,0,0,0,75081.14217767,121553.833497976,69493.2906686111,86600.8695137524,134662.745444647,1,97478.3762605313,16.5727945992157,{"v":6.83299781885056e-05,"d":"6.83E-05"},0.000634107868126941,0.127193324406897]
["NEG06491","Exserohilone",28.08555,449.082337529928,64542.55421003,93751.4208913214,57508.5902965357,20009.4894271717,84707.5726188506,232205.476718798,438917.146540397,180658.606869065,400583.266526183,327146.169831245,64103.9254887819,315902.133297138,2.30099306967971,0.00107209349333484,0.0055311121057517,0.197524035365569]
["POS05258","Fagaramide",175.004,248.131307868768,0,0,0,0,3926.586264714,96039.2682232615,195552.56200927,97470.2181428683,201980.282049889,120248.26944275,785.3172529428,142258.119973608,7.50101969477875,0.000316321329905329,0.00210788524462556,0.150095659043143]
["NEG00114","FAHFA 36:1",547.588,563.504082540296,9311261.14325453,10089178.0638818,9723848.82081468,9793242.54475762,4280110.5132743,35233980.0858864,32818828.7925458,27544066.6287673,37129932.0618338,32533045.5679346,8639528.21719659,33051970.6273936,1.93571185306137,{"v":1.55658005357442e-06,"d":"1.56E-06"},{"v":5.39735083692899e-05,"d":"5.40E-05"},2.03911923461075]
["NEG02893","FAHFA(16:1(9Z)/10-O-16:0)",494.855,507.441178071808,3388327.99249822,5335036.68434074,4626085.76425361,3852382.29820985,3520974.76349657,9894205.63865752,8564191.02018041,5622341.45549772,11655089.092727,9612482.17306674,4144561.5005598,9069661.87602588,1.1298292959977,0.00165738953482936,0.00799730678456498,0.860052141466678]
["NEG01850","FAHFA(18:0/10-O-18:0)",547.667,565.510428828188,520971.819859345,641499.078671796,636020.700243235,561407.617654502,600518.00940755,2709980.96571189,2484609.69608515,2259543.29249404,3073350.58844943,2855340.39934518,592083.445167286,2676564.98841714,2.17651026123258,{"v":4.93520253777056e-07,"d":"4.94E-07"},{"v":2.79960653309351e-05,"d":"2.80E-05"},0.602683920438897]
["POS04073","Fasoracetam",406.905,197.124397768931,382829.378273648,534932.871343718,426080.022559849,335075.548879847,376539.362800765,7979716.88486214,14545355.5049607,14242766.5388248,12725911.7409737,9651972.83490738,411091.436771565,11829144.7009057,4.84674263384122,{"v":2.16608324943928e-05,"d":"2.17E-05"},0.000270639395942511,1.39205335091604]
["NEG04506","Fenofibrate",301.523,359.103578122863,1390.79867559361,0,0,0,0,143152.637537603,190285.817463154,104267.044347528,245469.394528217,160534.518246469,278.159735118722,168741.882424594,9.2446887871834,0.000101115674169995,0.000858236073173412,0.16595964334719]
["NEG06057","Fenoprofen",32.4557,241.091423573977,3028160.17039981,3845643.87845578,4332977.09276501,3279568.86296726,3708525.51124715,597756.571769362,1277159.4165271,1033609.46185143,722006.54138924,814268.01062957,3638975.103167,888960.00043334,-2.03334177045622,{"v":5.11428357130566e-06,"d":"5.11E-06"},0.000100334168484431,0.684797942760406]
["NEG06198","Fenothiocarb sulfoxide",31.60605,268.103459482735,1462405.18888801,1216869.23162747,1145343.15674394,920310.108559119,1332069.5228305,18242881.5690253,23361092.7819651,15672971.6350284,26077678.2591891,21113090.8700977,1215399.44172981,20893543.0230611,4.10355471876212,{"v":5.05838083786502e-06,"d":"5.06E-06"},0.000100115652600753,1.83368856846273]
["POS06730","Fentrazamide",193.3395,350.136733533328,0,0,0,0,0,121482.588084564,390878.676443078,301831.125615574,241361.471572543,257529.113662428,1,262616.595075637,18.0025985592771,0.000325376562787751,0.00214662148281653,0.205702288915327]
["NEG04873","Feruloylputrescine",214.8295,263.139796598777,3830.04993007321,4467.65424357144,1568.3653753669,4223.9777984271,839.153049294612,12267.427182154,14904.2994909625,6950.69248985911,22910.0068440372,12136.9131065738,2985.84007934665,13833.8678227173,2.21199577484222,0.0039642475387476,0.016164156099196,0.0391907497255253]
["NEG06643","Fezaflor",25.66,372.984282329454,1232406.94274198,2148469.61218624,1786614.49230128,1882750.79843274,1883812.41233307,204598.309713817,315512.019067042,146314.410168834,241702.156222671,358120.569328132,1786810.85159906,253249.492900099,-2.8187556361784,{"v":9.5586434861902e-06,"d":"9.56E-06"},0.000152214116212854,0.50843411341243]
["NEG01913","Flavanone 7-O-beta-D-glucoside",543.522,401.130475222821,1787895804.43595,1836342114.14414,1757084029.44757,1825108312.53222,1712249109.44781,432914046.164003,509309997.973912,389938342.50835,544017404.07324,524311462.733967,1783735874.00154,480098250.690694,-1.89350042011876,{"v":4.73399796956686e-10,"d":"4.73E-10"},{"v":4.275445443808e-07,"d":"4.28E-07"},15.2131973752301]
["NEG05939","Flavonol 3-O-D-galactoside",34.69,399.113977061176,1657749.39184223,3571932.09775406,2893508.5961314,1905482.27646972,2922692.76301916,550332.106194809,1104084.38727672,686395.049032632,1006228.43922863,1173762.60251588,2590273.02504331,904160.516849734,-1.51845334759288,0.00198613747688477,0.00925415930635999,0.490040487341292]
["NEG04770","Flavonol 3-O-D-xylosylglucoside",245.913,531.155006867799,0,0,822.691774493686,0,0,16584.6228333987,72325.6246066736,54613.155708036,87470.928702592,42044.821007947,164.538354898737,54607.8305717295,8.37454010895452,0.00214862143633164,0.00983703550123993,0.0903954198189605]
["NEG05042","Flindersiachromone",192.257,249.087701446338,9888.55275464235,9825.51470866421,7164.45400258163,22049.9283988964,11276.7252303809,693747.148328852,717488.500649805,727026.219197937,772839.36389802,566152.008075893,12041.0350190331,695450.648030101,5.85191682575722,{"v":4.78350359390935e-08,"d":"4.78E-08"},{"v":6.94008713516696e-06,"d":"6.94E-06"},0.34606129020259]
["POS06967","Fludrocortisone",567.098,381.21133095011,24501.8991475019,68731.134375158,0,53920.7461906098,26434.0480346192,441579.084981655,208007.670538391,222210.687918428,372014.276413461,213670.15213115,34717.5655495778,291496.374396617,3.06974024704626,0.000875402325335835,0.00468287498265578,0.198857103887543]
["NEG05605","Fluorodifen",45.1385,327.023388872586,166542.305147957,246636.000273012,175048.49940577,96079.5519165017,149888.346088567,13808.669998513,35707.1464863668,8149.67771600071,20729.2294284229,37637.081604008,166838.940566362,23206.3610466623,-2.84586383743272,0.000421712064571706,0.0026162525171002,0.148564380666684]
["NEG03390","Flurprimidol",438.077,311.101889956657,2366.72205171289,1600.44100592397,2400.31784938923,0,776.491961535745,324790.744227813,461570.559841738,336194.456981412,914738.570589739,425532.50377835,1428.79457371237,492565.36708381,8.42937287689614,0.00195373133200964,0.00916041954725277,0.27152269854876]
["NEG06485","Fonofos",28.1618,245.025595013241,243175.523846374,183595.131429857,230485.993354067,277082.845805425,243342.603373668,718268.284063325,957103.724242476,782447.308885983,865401.90845802,978174.071085962,235536.419561878,860279.059347153,1.86885456831618,{"v":2.12663813095975e-06,"d":"2.13E-06"},{"v":6.05888685336496e-05,"d":"6.06E-05"},0.327830071226284]
["NEG01662","Fortimicin A",561.368,404.254596058881,19611.108715677,22421.9558935734,61965.2141442936,17278.0529508895,7709.79396677678,108848.942145268,111798.903543711,63474.3120561372,94241.8712578901,110041.626325182,25797.2251342421,97681.1310656377,1.92086401440584,0.000573673454640741,0.00331102111304263,0.104754142738689]
["NEG05926","Fructoselysine 6-phosphate",34.7603,387.114285907712,257213605.47594,192567120.305937,197188813.314829,270361817.021568,228168522.434215,61330938.165003,59269055.3839797,47836508.5500199,56371639.2154207,57530134.5265674,229099975.710498,56467655.1681981,-2.0204806762393,{"v":4.23844202030173e-06,"d":"4.24E-06"},{"v":9.14839824696624e-05,"d":"9.15E-05"},5.49941534149011]
["POS05557","Furofoline I",281.4925,266.079957725068,0,0,0,0,6119.45808681983,7082.50582639187,66461.4839789434,33556.7103115148,53114.0722590767,42651.1442549839,1223.89161736397,40573.1833261821,5.05097878934672,0.0045239640106278,0.0180353752402301,0.0754683059725801]
["POS00106","Galactotriose",34.8689,505.174796724358,16124903.2939605,21992571.7115856,18478221.0245046,17625196.1694838,14330649.5600943,4486929.89709211,4483890.84068783,3615634.88092135,5939749.5813545,4810099.1689341,17710308.3519258,4667260.87379798,-1.92394131763022,{"v":1.01348906142833e-05,"d":"1.01E-05"},0.000157831771158987,1.49232867040617]
["NEG00032","gamma-Glu-Cys",32.375,249.054536266213,15971072.2090818,13695071.4058388,12509710.0406604,19574813.5499592,16552710.8569779,40073236.9435177,60523516.6524729,36859794.4671841,42598350.412648,56670757.6329189,15660675.6125036,47345131.2217483,1.59606961966185,0.000189157199900163,0.00140082807144607,2.25870421070919]
["POS05521","gamma-Glutamylaspartic acid",251.808,263.084046683766,0,0,0,0,0,68215.7367064058,112147.645878489,14000.7419769556,71989.9627116161,60095.8305501398,1,65289.9835647213,15.9945740578461,0.00312898251962288,0.0133804386331483,0.0964121553936361]
["NEG05869","gamma-Glutamyl-gamma-aminobutyraldehyde",35.9784,215.102905081022,75392.7319071031,68479.0313290025,46073.8923082592,40775.0538118861,42097.4499880671,135999.659604474,305349.933997413,227565.757092492,226549.353287127,190367.92993452,54563.6318688636,217166.526783205,1.99279016733506,0.000458817764163577,0.00278088327791826,0.160900028465209]
["POS00149","gamma-Glutamylglutamine",36.2067,276.118025025549,3977086.67144168,3099053.56871181,3712055.26261436,3108814.20022363,4449772.32540985,7749738.50399475,10877628.1297261,8384696.31325545,9132046.49425239,10917104.923314,3669356.40568027,9412242.87290854,1.35901150746119,{"v":3.44999111104887e-05,"d":"3.45E-05"},0.00038328517823654,0.985637910071048]
["NEG05110","gamma-L-Glutamyl-L-cysteine",190.283,249.054736983567,12031.7725930917,8653.01580979109,7426.80093063315,17654.8029487463,4976.40942405615,152959.654412769,338370.387698188,189353.603544477,254216.381914053,259956.173365131,10148.5603412637,238971.240186924,4.55749001397406,{"v":9.7510360857953e-05,"d":"9.75E-05"},0.000840404984714013,0.19363468749875]
["NEG05826","gamma-L-Glutamyl-L-cysteinyl-beta-alanine",36.5973,320.091723895465,0,0,0,0,0,23452.6425711735,78111.0434013536,27464.0569627402,46750.1982791885,64459.0856351667,1,48047.4053699245,15.5521709050123,0.00180773604722101,0.00859298973349582,0.0848974725549755]
["POS07519","Garciduol B",170.348,503.085973092341,0,0,0,0,0,135246.161542768,194306.890038772,91293.4072348798,199693.552160965,120621.224420046,1,148232.247079486,17.1774998062973,0.000111575260966194,0.000933052215746271,0.155055270760663]
["NEG06427","GDP-mannose",29.6059,604.069392055813,163743.488897609,263246.576481754,194042.186353175,100632.722633022,210998.835337225,32146.11541332,22384.2676525072,30173.5530637206,19323.1128981167,40698.8184506435,186532.761940557,28945.1734956616,-2.68803433334709,0.000401473978632238,0.00251159875024056,0.154302062266565]
["NEG05624","Gemcitabine",44.5141,262.069363360927,38466.0312639011,19240.6075053445,14342.4678412852,29451.181602592,16823.2217892475,98378.7462321545,127430.290765958,93411.1109256221,138565.887012085,127150.199414583,23664.7020004741,116987.246870081,2.30554260581776,{"v":1.38195345644247e-05,"d":"1.38E-05"},0.000192368777823571,0.125293981524056]
["POS07200","Ginkgolide B",29.0198,425.141018362492,0,0,0,0,0,196499.066521745,578954.303354381,665753.798729643,564755.526777503,368992.204409096,1,474990.979958474,18.8575405914746,0.000512123477206252,0.00302206901522898,0.275903366921602]
["NEG02138","Ginsenoside La",531.632,781.487247199571,40688639.5072937,31881004.7969797,36940745.7360175,49153490.3788064,35251150.9334944,18123535.3370338,14611688.6727457,10334210.8342288,11767766.967713,10706228.7559191,38783006.2705183,13108686.1135281,-1.5649015473337,{"v":5.29552402507262e-05,"d":"5.30E-05"},0.00053109594090022,2.11477559899252]
["POS00242","Glu Cys Glu",117.504,380.11083924808,276875.262812967,504858.407436752,396360.555055964,510608.751415535,541188.634965407,3115711.70870804,2940770.44219202,1911215.11059919,2627953.53249148,3640189.69113934,445978.322337325,2847168.09702601,2.67448218051935,{"v":3.40320938538514e-05,"d":"3.40E-05"},0.000379614852389719,0.634135124910177]
["POS00338","Glu Cys Met Ala",220.722,453.142380181052,0,0,0,0,0,1599227.96865843,2265852.12167233,1739533.38163421,2346494.9596355,2348455.60448,1,2059912.80721609,20.9741518410729,{"v":1.3551720372792e-06,"d":"1.36E-06"},{"v":4.94678883750627e-05,"d":"4.95E-05"},0.597692249106928]
["POS00317","Glu Gly Met Asp",141.038,451.147651034118,0,6404.28405665008,0,7023.01836041312,6341.81146900889,113028.929582559,527651.283508771,161962.94647104,469286.680545651,388094.189083623,3953.82277721442,332004.805838329,6.39181210842534,0.00417144495144,0.0168517469684309,0.216866965292756]
["POS00190","Glu Phe",216.787,295.127798128513,29091.3075783716,5186.70504218103,13807.2610348842,5579.89895025175,18742.7688946923,305320.118209815,495579.063215806,288099.302563714,359187.698772849,436880.142730708,14481.5883000762,377013.265098578,4.70232353821291,{"v":1.64207068859779e-05,"d":"1.64E-05"},0.000219558471789904,0.247374035546826]
["POS00284","Glu Phe Cys",232.016,398.136689942276,38145.3936987188,4663.98812542876,0,28423.0449886712,0,73591.2062310106,126172.657887754,80803.8113491238,95951.6683678442,138001.129709647,14246.4853625638,102904.094709076,2.85262243795318,0.00034163209052045,0.00222758067186293,0.118192186350053]
["POS00344","Glu Thr",35.93955,249.107256931166,3048961.36590539,3663797.10494056,3614112.22571871,2414445.40852964,4637510.56897254,9220361.95390319,12190328.9509861,9068391.62848039,11960558.4950095,11574081.3480871,3475765.33481337,10802744.4752933,1.63599529325473,{"v":1.31781894355076e-05,"d":"1.32E-05"},0.000187726246321737,1.12319263369849]
["POS00310","Glu Trp Trp Asp",204.252,635.243956348139,0,0,9654.78643246161,0,0,0,142603.741271038,66972.3036888393,126022.184052567,77935.8726568757,1930.95728649232,82706.820333864,5.42061814788962,0.0123884575293187,0.0421452378531674,0.103515139071434]
["NEG05912","Glucolepidiin",34.8203,346.029058372727,0,36956.7312555105,17828.6363028712,0,24193.9220002636,65154.7193589367,255700.055067949,359961.014502304,275168.851674274,278149.356729719,15795.8579117291,246826.799466637,3.96588084442247,0.00157690815635883,0.0076581359819163,0.19054113403756]
["NEG06492","Glucolesquerellin",28.0835,448.079301881083,977766.785255223,1073730.45607797,1119295.13211368,681550.608901669,1383227.49252327,2130499.10771014,3271723.06108329,2214805.15865105,3266606.93422911,2905243.94693641,1047114.09497436,2757775.641722,1.39708644261825,0.000241364912189978,0.00169800220295171,0.530062901803084]
["POS07905","Glucosyl passiflorate",43.91905,697.406134407966,201495.861555752,97558.7704066121,194732.226701779,199189.841204377,238115.349912749,419541.084040234,616444.694049814,357038.987184435,587862.386903187,579362.370201315,186218.409956254,512049.904475797,1.45928871448463,0.000441653748871591,0.00270618797082551,0.226142462404642]
["POS07001","Glucosyloxyanthraquinone",44.22845,387.106867599606,273528.279194925,405947.605253894,274222.155244566,277984.196966589,217328.939489588,389300.578070731,698865.378433634,564773.182289398,667251.678607093,622054.453161067,289802.235229912,588449.054112385,1.02184879474292,0.00144975425527455,0.0071260997624649,0.21461026848855]
["POS00137","Glutamic acid",32.1959,148.059881047534,671459248.792314,641950430.70577,581106582.021248,733654487.063998,719806560.166144,1666014071.9347,2059219250.40311,1808695247.18509,1872428501.46577,1881506815.62185,669595461.749895,1857572777.3221,1.47205707979062,{"v":1.34745600508934e-07,"d":"1.35E-07"},{"v":1.1817981785813e-05,"d":"1.18E-05"},14.4233366198994]
["NEG05758","Glutathione amide",37.1539,305.092114285313,661437.067375224,800070.471869605,730716.517874516,927797.292283733,648894.044857827,132322.586936986,334427.351444054,204979.116389836,315859.441470256,321261.212766215,753783.078852181,261769.941801469,-1.52584996254345,{"v":6.40979857906958e-05,"d":"6.41E-05"},0.000602332542944921,0.288926220966566]
["POS07786","Glutathione disulfide",117.504,613.157025077696,0,4380.70377350226,4110.79551091129,0,0,395569.365458116,167983.428939956,193638.920671364,131550.02753842,191683.019913142,1698.29985688271,216084.9525042,6.99136359267974,0.00167793373299391,0.00806976368674315,0.179086055620205]
["POS08067","Glycerol 1,2-di-(9Z,12Z-octadecadienoate) 3-octadecanoate",35.1384,883.755354264996,305932.3659696,908151.823234857,873201.731759696,881504.369262175,254093.934839644,110180.064474101,0,0,119114.751577882,0,644576.845013194,45858.9632103966,-3.81307672009297,0.00427060366023565,0.017193888543865,0.299869398367617]
["NEG06023","Glycerol 1,2-di-(9Z-octadecenoate) 3-octadecanoate",33.8627,885.78460976148,2093006.05411627,1242564.45614411,1237258.89926192,1925244.94124274,1262851.68831083,0,0,0,0,0,1552185.20781517,1,-20.5658692804927,{"v":3.54099800722201e-05,"d":"3.54E-05"},0.00039108355768652,0.517476738728243]
["NEG03685","Glycinoeclepin C",411.2695,513.257762109117,91506.5906907078,57791.1882128303,71944.1770060767,69275.6519339821,88629.726905514,23099.6875911767,23920.9710856541,4434.79766278472,18205.9226316199,39310.4307780172,75829.4669498222,21794.3619498505,-1.7988036133205,0.000206461378218259,0.0015095975978415,0.0937059498591998]
["NEG05979","Glycoperine",34.37965,390.122015074284,831630.565196503,579498.530758624,552461.003933632,1021854.12292364,784685.254258529,195667.302004675,151360.72693019,95960.2536651946,165711.890907605,34739.8251057837,754025.895414186,128687.99972269,-2.55073654347663,0.00012928503376931,0.00105527729206227,0.324881298085172]
["NEG05781","Glycyl-leucine",36.9361,187.107691121467,1990137.03778962,2834487.36777875,1984709.00438419,1741010.49280979,2381236.90530422,121346.291332979,211313.052909819,141132.063872832,228309.297493283,248676.658128819,2186316.16161331,190155.472747546,-3.52325067719585,{"v":6.69739017542875e-06,"d":"6.70E-06"},0.000120796073607632,0.575427758149965]
["NEG06098","Glycyl-Lysine",32.25315,202.118729491916,0,9489.65024765193,16650.8966982619,0,0,137632.609736983,121572.214027038,135820.927167867,232297.610701312,364883.27744998,5228.10938918277,198441.327816636,5.24627937819748,0.00305408160000911,0.0130977056537303,0.170006750216347]
["NEG06101","Glycylproline",32.1934,171.076294484359,500544.066650802,655708.159375562,1111362.22240366,741224.161139554,513507.980397062,1349003.83234188,2444712.00522893,1379274.2423914,1821178.00102497,2279992.73004769,704469.317993328,1854832.16220697,1.39667986912314,0.00179120974473737,0.0085234906257556,0.412059880643272]
["NEG03054","Glycyrrhetite",473.38,469.342794978443,859673.115330063,751419.86236267,765734.356830441,910188.994859111,883389.804601271,58851.1486204135,74734.6585518307,48764.8931712125,57816.6485828352,64753.1287846642,834081.226796711,60984.0955421912,-3.77368294044381,{"v":9.67690748525784e-09,"d":"9.68E-09"},{"v":2.7053004488474e-06,"d":"2.71E-06"},0.370051395016563]
["POS07699","Gossypetin 8-glucoside 3-sulfate",34.8699,561.04491889299,414066.215149463,160034.981569212,106007.212247295,145378.637547516,259347.158461127,556609.353509696,871860.383982185,683610.404671088,602880.710516074,883366.239729785,216966.840994923,719665.418481766,1.72985176264314,0.000428478956020714,0.00263992612986316,0.28456903204257]
["NEG06344","Gossypin",30.4321,479.090633594716,0,0,0,0,0,118422.719683621,343833.243260218,124461.424261157,156184.896077134,400936.196205355,1,228767.695897497,17.8035238191281,0.00498956811399525,0.0195603314407544,0.180804707112791]
["POS07572","Gravacridonetriol glucoside",35.92285,520.185769577753,1725661.34839278,1433954.69494463,1625767.30406395,1917062.09218716,2465409.58369033,178642.308955607,181493.942367781,69338.7883051974,174335.094312313,196826.459887556,1833571.00465577,160127.318765691,-3.51736476804149,{"v":1.32457098907726e-05,"d":"1.32E-05"},0.000188089080448971,0.530970743085586]
["POS05867","Gravolenic acid",382.312,281.10095489571,1917923.89781761,2005366.84027261,1681083.23834755,1661358.81829227,1802512.67306135,5087630.91526279,4710102.23270952,4565115.04035157,4587113.91839018,4785625.06124807,1813649.09355828,4747117.43359243,1.38815639047155,{"v":6.11877320876499e-09,"d":"6.12E-09"},{"v":2.10532865867737e-06,"d":"2.11E-06"},0.720496131500206]
["NEG03114","Gymnodimine",460.992,506.324810210595,107111.962714524,473486.334249766,464013.20677257,432722.009720507,423595.012412117,741105.058444147,871258.389956129,812654.125425076,1475456.10413796,856012.830369343,380185.705173897,951297.301666531,1.32319199773034,0.00513736898746231,0.0200693899396672,0.286457144405897]
["NEG02137","Gypenoside LXXV",531.645,783.495012286272,3516582.21365165,2882948.65427329,3488567.5637206,4311475.64711167,3312434.14765215,1607936.68149994,1338953.76602382,932892.021043126,1135897.78424683,882526.072608029,3502401.64528187,1179641.26508435,-1.56999634197411,{"v":2.43180938095084e-05,"d":"2.43E-05"},0.000294782746910383,0.638428882964378]
["NEG02384","Haloperidol",527.7485,374.129580285926,0,0,0,0,0,44430.0265564605,175072.078802736,51533.7688153773,228732.682380341,123885.101057386,1,124730.73152246,16.9284574388246,0.00788196292338498,0.0284782069113901,0.130728311824708]
["NEG04145","Haplophytine",373.535,651.276362594719,36602.5412012718,55828.3366282367,64233.4016127362,56224.3053813167,46456.0714629166,13803.2712381571,29661.2419977292,3744.71907278175,28944.6683509505,34929.6772113614,51868.9312572956,22216.715574196,-1.22322509321584,0.00420614958016253,0.0169649297313499,0.0661890708690165]
["NEG02519","Hebevinoside I",522.16,807.494688387659,20342545.7433128,10916777.180113,15037907.7359639,12340251.2192756,10700914.2308575,9508114.92059011,5820195.6971573,3798639.17447214,5710273.07946178,3224826.28215667,13867679.2219046,5612409.8307676,-1.30503410381196,0.00440231593609648,0.0176132014151695,1.119043797151]
["NEG03681","Helveticoside",411.4935,533.268542983957,97674.0855824141,97758.1230705484,104296.327960062,100749.126749299,54876.1187634554,28273.8642410962,37051.4876039145,5547.45324416222,50397.5064082146,79763.4075410426,91070.7564251558,40206.743807686,-1.1795503646056,0.0105113232493237,0.0367321475736132,0.0848219899376349]
["POS07764","Hericenone E",31.8436,595.401264820409,83141.480910691,47791.1297873561,0,247485.712305872,130203.19330118,466109.381442998,677750.815720741,505963.562366869,691977.558401937,743530.078825591,101724.30326102,617066.279351627,2.60076105917307,{"v":7.36709496726667e-05,"d":"7.37E-05"},0.000665401947559538,0.291253628600312]
["NEG06480","Heritonin",28.27995,257.113626609297,215157.951813233,156699.72537754,241267.262319448,224611.600739913,311998.48209279,9767.5141834369,75092.5447865169,52455.3186595288,41484.5674536291,37773.0789331361,229947.004468585,43314.6048032496,-2.40837594427716,0.000127325706052426,0.00104500529022478,0.174383734984412]
["POS05895","Hexachlorobenzene",28.05125,282.81514136871,336228.218539226,308832.707489564,272492.484379096,355514.754438984,248822.506301574,151214.759094171,112332.278672536,80988.5004584211,116646.253553587,81560.2880495589,304378.134229689,108548.415965655,-1.48752604990342,{"v":3.35479486351716e-05,"d":"3.35E-05"},0.000375149935612807,0.184339113060413]
["NEG00021","Histidine",34.4275,154.060826380478,3381848.20117956,3930366.9511728,4478564.22488013,1618613.36189652,4094727.5264946,16245021.949453,32692958.0929908,28434564.5761333,34721599.9494533,22321547.5064429,3500824.05312472,26883138.4148947,2.94093511159695,0.000138134800466817,0.00110881851824725,1.96419526331752]
["POS07571","Hodgkinsine",450.418,519.323609117091,0,18415.6969937289,15055.6324451926,0,0,127653.26669418,148102.317516119,183445.098257212,242902.751785135,128319.1581609,6694.2658877843,166084.518482709,4.63284793478109,{"v":9.14360959660941e-05,"d":"9.14E-05"},0.00079463993831969,0.162854150456112]
["POS06502","Humilixanthin",34.5302,327.116493064392,2362896.84849546,3004613.12538284,2780196.14161252,2432999.08610622,2202437.12005772,1121369.81767211,898335.940783029,1106224.80039924,1753232.44868354,931147.138787692,2556628.46433095,1162062.02926512,-1.13755543988022,0.000178102080352465,0.00133890858053206,0.476338732564805]
["NEG04977","Hycanthone mesylate",196.848,451.128982071429,0,0,0,0,0,100180.064101888,202995.170406206,136869.63432424,169176.233939011,172152.322908027,1,156274.685135874,17.2537245701971,{"v":1.96199560715556e-05,"d":"1.96E-05"},0.00025237971057078,0.162595691168117]
["POS00237","Hydralazine",291.113,161.082974595635,40610.322631843,18944.6063901189,51546.518330065,37186.0141107093,25476.9723493577,8549821.55908086,8741520.53669737,6108642.09466489,7152990.58008054,9253843.52754275,34752.8867624188,7961363.65961328,7.83973893241186,{"v":7.84145684125606e-07,"d":"7.84E-07"},{"v":3.53422839049426e-05,"d":"3.53E-05"},1.17062490954161]
["NEG00662","Hydroxychlorobactene glucoside",673.162,711.44768334296,5198.07373708149,39350.1029895232,77852.3460189194,51402.3316657328,54484.4704989631,57152.9292332854,225625.934551105,265579.594541548,250806.481695654,231131.349629278,45657.464982044,206059.257930174,2.17413661835568,0.00374456638393591,0.01546578525886,0.154293259904166]
["POS06070","Hydroxyflutamide",181.019,293.079004444788,22329.2171440724,0,0,0,7269.801216148,147402.171076133,261005.650805142,166825.989493634,147369.180662072,260785.539373137,5919.80367204408,196677.706282024,5.05414029474038,0.000100455658866403,0.000854255061044525,0.177446651542806]
["NEG05779","Hydroxypropionylcarnitine",36.93625,232.118391985978,1280980.34086756,2057651.08844265,1254485.15105868,895501.463806462,1500063.39702853,2209.8180878319,1923.14659564121,1261.3391533684,0,0,1397736.28824078,1078.8607673683,-10.339367787406,{"v":8.39953244889812e-05,"d":"8.40E-05"},0.000739588752833096,0.470720125657453]
["NEG03997","Hydroxytyrosol 1-O-glucoside",397.012,315.113809139119,0,0,0,0,0,41774.0508497631,45070.4061077301,38446.2076041992,75584.1795796088,52974.8343722072,1,50769.9357027017,15.6316868125252,{"v":6.13986110630837e-05,"d":"6.14E-05"},0.000584331887840795,0.0919334862878664]
["NEG04509","Ichangin",301.098,487.194729944603,70483.0641196924,61585.5100428409,105865.350858342,75075.8130295433,87718.6890617202,35906.1684400598,34057.8666888662,9899.35366147644,30391.5098192189,37045.9562090346,80145.6854224278,29460.1709637312,-1.44385905349129,0.000560260551678238,0.00325481446602922,0.0904901740005883]
["POS00110","Idazoxan",203.657,205.096463570434,3181340.86300586,3379131.43282773,3040536.9413144,3664991.840894,2968303.00131705,3223122620.79626,3940644303.01066,3868788260.87129,5067159541.14725,3367696062.96877,3246860.81587181,3893482157.75885,10.2277997581409,{"v":2.16043424307133e-06,"d":"2.16E-06"},{"v":6.11621668940385e-05,"d":"6.12E-05"},25.9339996234906]
["POS06267","Imazamox",450.4985,306.150886575487,0,82717.7101214202,20679.8122103235,30830.8163340187,79439.4618518381,286403.981458272,414747.801395978,220802.433878748,507732.704489144,316214.338315493,42733.5601035201,349180.251907527,3.03053055174575,0.000417630529455311,0.00259452966424112,0.22157866590784]
["POS05504","Imazapyr",218.736,262.117631737534,16643.8849704649,0,6432.54450037298,8617.28620499356,6725.14997966847,106419.236663254,204693.706309823,110729.321217883,119663.874245038,252662.417347486,7683.77313109998,158833.711156697,4.36955841195372,0.000942892671384477,0.00498529423061793,0.153117086087755]
["NEG05107","Imazaquin",190.645,310.115465909544,403417.837139331,413970.695362601,388064.739545841,470649.432483059,335402.699721799,66052.0087613042,99146.9368849315,76588.5950097733,122286.285572511,114764.756979248,402301.080850526,95767.7166415536,-2.07066430440764,{"v":1.46565064199121e-06,"d":"1.47E-06"},{"v":5.21705047148121e-05,"d":"5.22E-05"},0.232527727803805]
["POS06259","Imicyafos",37.1146,305.116295197127,149077.338892863,99723.3288276619,158451.193547628,150874.249097954,237739.157539218,402964.706506739,304623.462152836,343282.576212281,255357.229573961,535499.371441818,159173.053581065,368345.469177527,1.21046337431248,0.00431750246973699,0.0173205096107596,0.175545828718877]
["POS00418","Iminoglycine",204.853,74.0237469264474,1850444.32723059,383889.590675534,364259.813964644,223989.028820398,1716978.84458817,1973282.11337125,2674223.17727372,2370901.04424208,3196132.43905728,4093788.16981396,907912.321055867,2861665.38875166,1.65623010389765,0.00520763181301305,0.0202907117592399,0.538360962295837]
["NEG03988","Indivir",399.14,612.351692145104,128576.036206671,147988.657021629,161062.878710888,139592.137365472,151880.941746186,4656.9516148536,19553.732471904,4608.98613461859,14355.8624531526,15410.5558965776,145820.130210169,11717.2177142213,-3.63748795129497,{"v":2.47663174093071e-08,"d":"2.48E-08"},{"v":6.31767876185511e-06,"d":"6.32E-06"},0.153430199623041]
["NEG04273","Iprobenfos",355.405,287.082381796181,0,895.124380299337,0,1481.43407847188,0,26108.6542303395,45174.7780214562,52531.4712664636,128378.094585053,56743.9884781092,475.311691754243,61787.3973162843,7.02229490394222,0.00794062787159839,0.0286438939271449,0.092469209935798]
["POS07657","Isochamaejasmin",35.03155,543.131893141085,862015.636966303,538548.7292495,567316.843680402,507575.507187577,459660.178308281,152015.073850013,135935.27639201,94061.5585203379,114181.672214245,172192.404657286,587023.379078413,133677.197126778,-2.13466457279604,0.000241299286105158,0.00169800220295171,0.273094258752256]
["POS03777","Isoflurophate",31.17775,185.076084693741,3101822.26264204,3474147.06880993,3072347.50638084,2948689.20726372,2946462.72468779,412156.168194485,608788.98018581,376258.04264046,317717.640428544,275429.81293446,3108693.75395686,398070.128876752,-2.96521397880712,{"v":9.42915969214759e-09,"d":"9.43E-09"},{"v":2.7053004488474e-06,"d":"2.71E-06"},0.690298243388133]
["NEG05461","Isoleucyl-Lysine",89.0371,258.181921029851,46706.3784998178,10586.9057098229,16875.5741190935,46548.0803452693,29497.2011127431,71296.9890853319,136162.775674765,98540.4425968576,107372.821937848,151252.632528331,30042.8279573493,112925.132364627,1.91027407833683,0.0008228983134192,0.00448880994624888,0.11307477814375]
["POS05820","Isoleucyl-Phenylalanine",244.852,279.169325491998,518180.946862165,258563.940379615,361909.327509393,513975.175510103,441293.837146943,111249.744765254,244173.996184826,100425.482845103,275745.002533183,122006.471333656,418784.645481644,170720.139532404,-1.29457528717085,0.00376716965947313,0.0155304607251828,0.194448344829542]
["POS06106","Isoleucyl-Tyrosine",220.357,295.164189253348,0,0,0,4426.28796327704,0,22701.8279412079,91626.7856003752,37884.8266116691,91784.8943974381,79038.7349635331,885.257592655408,64607.4139028447,6.18945860562204,0.0022358253524014,0.0101325702140744,0.0973135767729936]
["NEG05115","Isoleucyl-Valine",189.564,229.155123470358,3895.6311938683,12700.3702407551,12580.2555929425,15624.1244569766,16888.3640574714,28647.7016073168,42373.3499594956,29227.4661560734,42757.5475351434,32700.4606444895,12337.7491084028,35141.3051805037,1.5100885612965,0.000352205944905769,0.0022665451297003,0.0604201403491653]
["POS05987","Isolobinine",37.2763,288.202095460282,0,0,0,0,0,112398.293190432,136460.208099211,145771.228465857,177724.318600257,193862.856762067,1,153243.381023565,17.2254652359829,{"v":5.86429630152405e-06,"d":"5.86E-06"},0.000108842312683473,0.162810600776114]
["NEG04842","Isovalerylglutamic acid",222.4175,230.100913973601,1999.92671090887,7150.58853577252,3399.08146274323,0,2123.78292027611,427426.95914927,524453.969956466,533060.750129585,872666.145515535,261903.693795063,2934.67592594015,523902.303709184,7.47995279923003,0.000808872454457121,0.00442308861709866,0.284640883212104]
["NEG01228","Istamycin C0",599.9705,345.256169646075,1303287.01843402,1025226.17645784,999793.309931066,1197685.55575707,1391666.72554255,174125.215545709,264120.119779774,175993.191986766,182954.951385903,260362.2563054,1183531.75722451,211511.14700071,-2.48429281487111,{"v":1.79803790757082e-06,"d":"1.80E-06"},{"v":5.74473111468877e-05,"d":"5.74E-05"},0.408797202804369]
["NEG01845","Istamycin Y0",547.805,317.224944365304,1159842.53099596,1362106.97119822,1219894.46967686,1182179.53465575,1238071.35916247,3001781.56270331,2842008.23522751,2624456.12437923,3224247.9013787,2852031.63183602,1232418.97313785,2908905.09110495,1.23898342836394,{"v":2.41411890422333e-07,"d":"2.41E-07"},{"v":1.76101285342993e-05,"d":"1.76E-05"},0.541594285034274]
["POS07840","Janthitrem F",204.7365,646.384419056164,460529.250048203,397850.188347011,376520.081648249,449973.159458231,403930.353852928,158888.807465292,95297.1241415518,79746.652577609,0,0,417760.606670924,66786.5168368906,-2.64504767841376,{"v":7.15940929875032e-06,"d":"7.16E-06"},0.000124758346812243,0.246849621748621]
["NEG03389","K-252c",438.08,310.098386168346,0,8160.10459057762,0,1399.2484059289,0,1638468.31252921,2022690.95848065,1428226.7290474,4186523.93284205,2026750.20861151,1911.8705993013,2260532.02830216,10.2074617622333,0.00184285541067479,0.00872284894386067,0.582812813731486]
["NEG03111","Karounidiol",461.875,439.365067746725,0,0,0,0,0,30045.5117977472,81895.1086520531,68305.3429978373,111894.233116508,79325.1249499253,1,74293.0643028142,16.1809399124804,0.000496448918678283,0.00294902524999729,0.108930168204711]
["NEG06157","Ketamine hydrochloride",32.11165,272.064939046248,0,39312.7926831057,0,49367.1623561357,29276.4076985491,824658.000661492,778859.24846631,652741.36958856,396400.143992181,750968.844108736,23591.2725475581,680725.521363456,4.85074805256669,{"v":2.76640955901747e-05,"d":"2.77E-05"},0.000322243488476176,0.33202341355311]
["POS06319","Ketotifen",309.839,310.132580171194,0,0,0,0,0,88882.8708844712,135360.679759734,92990.5637515406,137302.817578645,146841.113861123,1,120275.609167103,16.8759845807797,{"v":9.16301293463561e-06,"d":"9.16E-06"},0.000148500568321105,0.143313895908005]
["POS07349","Kimycin D",34.6027,455.114418518855,2312534.07644758,1744148.05780602,1219953.99364314,1308312.34994764,1433044.55892118,235868.911771011,464445.362383613,279726.300254462,457176.220284731,522193.001072847,1603598.60735311,391881.959153333,-2.03282200664066,0.000369866089313198,0.00234668229432331,0.437888987304821]
["NEG05314","Kinobscurinone",166.083,305.04671714731,173665.270954298,40988.9725579474,24109.4061167571,187159.323072908,36498.8217832499,789751.357414735,1800175.4619787,882202.724231756,702573.419824033,1044854.56581623,92484.3588970321,1043911.50585309,3.49664621180154,0.00146071775793428,0.00716424400355266,0.376772817100072]
["NEG05706","Kokusaginine",37.7261,258.082893723476,0,0,0,6441.18969747437,0,145894.638296268,233041.218807937,133646.355549759,328044.432906736,241665.366264125,1288.23793949487,216458.402364965,7.39254690714717,0.000303257365806303,0.00203674203791531,0.185648700728681]
["POS04467","L,L-Cyclo(leucylprolyl)",28.18145,211.140982436485,235693.820746744,212919.137827187,251807.390844128,206503.449733689,241407.058289029,71334.4085567691,106743.755886991,93642.0106441972,88423.7179962343,108293.700877905,229666.171488155,93687.5187924193,-1.29360960408883,{"v":1.63627762942941e-06,"d":"1.64E-06"},{"v":5.50095890579573e-05,"d":"5.50E-05"},0.153000699987704]
["NEG06422","L-2,3-Dihydrodipicolite",29.6778,168.026582784546,258394.379063752,407924.289914599,305216.203623808,389271.150066109,329793.564072936,624546.867287243,779124.219236716,649583.833015343,762668.145304503,726083.722296804,338119.917348241,708401.357428122,1.06703197419411,{"v":1.83181266914496e-05,"d":"1.83E-05"},0.000238883325629312,0.250661578335596]
["NEG05720","L-2,4-Diaminobutanoate",37.4855,117.067211796633,274251.863484746,342101.683076396,316143.64754027,269844.822228851,363319.593043643,1328770.38768238,1639094.98269736,1016605.22426514,1558309.02767487,1516613.88620251,313132.321874781,1411878.70170445,2.17277181022282,{"v":1.02434535514654e-05,"d":"1.02E-05"},0.000158398865430207,0.43213065401522]
["NEG05845","L-2-Aminoadipate",36.46955,160.060203574693,264305.249403486,169643.570427416,231702.934369763,193566.168399528,145350.01980233,386827.409800631,645390.058356359,501561.081798623,594288.818315876,656397.332972325,200913.588480505,556892.940248763,1.47082486183176,0.00019041616515478,0.00140782067229311,0.239502442065121]
["NEG02710","L-2-Hydroxyphytate",510.976,327.290236947286,623288.696511167,721762.416320978,582918.418686288,491743.657978474,556105.76741229,2316086.45545882,3030241.18077483,2320221.23285207,2692470.54393915,2895667.37354582,595163.791381839,2650937.35731414,2.15514391571805,{"v":8.16052622222665e-07,"d":"8.16E-07"},{"v":3.53422839049426e-05,"d":"3.53E-05"},0.5982745819607]
["POS07798","Labriformin",450.237,618.244839669592,0,29831.974924783,27896.653970382,35646.4230820751,0,141018.682316571,117576.647485359,116846.145009652,243196.361271408,143567.660730611,18675.010395448,152441.09936272,3.02907096641092,0.000621021516993622,0.00355221131139702,0.144345586000175]
["NEG05075","Lactodifucotetraose",192.2375,633.231572163854,0,0,0,0,0,107209.116569576,102523.522899725,183686.410705772,262372.025057254,125816.175142875,1,156321.45007504,17.254156229701,0.000845437674553043,0.00457272396405775,0.156988610968311]
["NEG00203","L-Alanine",692.965,88.0387971395559,881088.862176446,1401765.56762222,1125482.01699225,1612241.94798758,1227714.90943035,11100385.1430659,12917465.0062422,8286478.43485214,11482548.7233953,13701421.8570085,1249658.66084177,11497659.8329128,3.2017342657037,{"v":4.4161975676096e-06,"d":"4.42E-06"},{"v":9.28514258245561e-05,"d":"9.29E-05"},1.3231809169624]
["NEG05333","L-Anticapsin",165.4655,198.076107863953,27662.0030167096,28685.0409558206,31431.9364628227,24582.704130583,44180.0319036949,408883.364792614,649480.959546007,514768.426161266,981721.876387288,524908.339218627,31308.3432939262,615952.59322116,4.29820024395358,0.000362738027099741,0.00230800454511684,0.305946124624991]
["POS00348","L-Arginine",29.0373,197.100255328119,237366.529236608,330595.265191558,277305.229546791,201146.620926213,173525.268071082,3507292.84233606,14116838.6837987,14377522.9560883,12823968.9901702,9785308.14804173,243987.78259445,10922186.324087,5.48430895486176,0.000753501377711448,0.00415587134710642,1.30012894345892]
["POS04851","L-Arogete",206.093,228.081720123064,88249.2202122458,329761.458372144,274004.215243471,89745.3171576973,199060.060514006,2754401.07062775,3603230.83160323,3296241.5078223,4094521.9681897,3372220.18644504,196164.054299913,3424123.1129376,4.12560196713293,{"v":5.10489983292878e-07,"d":"5.10E-07"},{"v":2.8542771190863e-05,"d":"2.85E-05"},0.751590479073275]
["NEG02772","Laserpitin",503.917,449.24871914364,158530.37578429,166761.035569983,168586.110409069,167176.51019893,151401.016325326,539408.274346318,494571.330844689,331136.110090523,475152.345872052,371080.020457197,162491.00965752,442269.616322156,1.44456623472637,0.000100065649982133,0.000852559337847772,0.21233032846012]
["NEG06241","L-Asparagine",31.029,131.044732573672,954284.344358734,899842.137871273,642136.736464702,1222982.44995556,805976.868139614,2300092.6107383,2910517.76607736,1897399.59582064,1963781.07776479,3279208.55978667,905044.507357977,2470199.92203755,1.44856716251788,0.000602574201236034,0.00346887310441285,0.493587206278392]
["POS03067","L-Carnitine",32.4797,162.111894997288,20205782.3106427,16963898.8729719,21018556.5635677,15197129.3082256,11614963.4185933,5321838.93466187,8636714.20668822,6175236.83723733,6916587.02963342,7701022.22860136,17000066.0948002,6950279.84736444,-1.29039738238803,0.000534540748126934,0.00313779628132779,1.28128026222052]
["NEG06059","L-Citrulline",32.4492,174.08722333126,848107.75548299,706930.308541404,1138792.02779255,645210.964945138,696444.656879781,17876532.9935342,15448617.5057971,10292718.8396364,8594867.27014203,14385112.8122029,807097.142728373,13319569.8842625,4.0446613577558,{"v":8.05116825678355e-05,"d":"8.05E-05"},0.00071596174180105,1.43020374494491]
["NEG04634","Leonuriside A",274.441,331.108667459608,0,0,852.890269161247,0,0,35187.2504957244,54966.4005646663,38391.8179321843,98493.1725343668,51475.1092469664,170.578053832249,55702.7501547816,8.35117270292779,0.00119634711222966,0.00609482987813585,0.0922957824802027]
["NEG06447","Leucocyanidin",29.1424,305.068334833418,22971.1842427349,0,34095.9998922119,24232.1913473633,0,541016.77023986,414760.30245354,464631.308442713,332244.199358092,434166.426919412,16259.875096462,437363.801482723,4.74944574012196,{"v":1.9469040373013e-06,"d":"1.95E-06"},{"v":5.92415085635966e-05,"d":"5.92E-05"},0.268909438473297]
["NEG05892","Leucodelphinidin",35.1084,321.06764632913,494037.753004076,348396.6835413,514616.476255104,906743.660856362,271470.314810435,973453.091336131,1201639.43772719,1244659.60840651,1765824.61886468,1172135.76047183,507052.977693455,1271542.50336127,1.32637129197952,0.00212902293749041,0.00976730215322522,0.331211734423807]
["NEG05015","Leu-Gly-Pro",192.5355,284.161201102077,4391.17497687942,780.840138848139,2128.09328555202,2601.94103420524,1229.34751170387,45791.4180350183,107467.054260019,73904.5965300829,222213.501566287,112184.474791835,2226.27938943774,112312.209036648,5.6567362992952,0.00632291832541716,0.0238067455131237,0.124490225691365]
["POS00214","L-gamma-glutamyl-L-valine",174.1475,247.127850468795,178156.88151868,111608.991070379,192883.277200006,72076.4342787227,101866.507984795,1794924.43982053,2719738.68828416,2902652.81118994,2691239.787647,2233022.04904323,131318.418410517,2468315.55519697,4.23238565923804,{"v":2.89815241643228e-06,"d":"2.90E-06"},{"v":7.38484821195406e-05,"d":"7.38E-05"},0.636372770324604]
["NEG06201","L-Glutamine",31.5936,145.060440798202,1070884.55702687,904813.467847824,574502.915693417,955146.678897438,640314.856518851,12432524.2565911,13429713.3457471,9161316.33368442,11532687.9396247,18507961.1325941,829132.49519688,13012840.6016483,3.97218945278327,{"v":4.90475523527851e-05,"d":"4.90E-05"},0.000499748750965849,1.4261908176051]
["POS05257","Limarin",220.464,248.110102629202,0,0,0,0,0,6118.77491562423,12910.2118604576,0,19029.3219447422,17551.5587961976,1,11121.9735034043,13.4411251847832,0.0144468331645358,0.0481884300857335,0.0380429334636802]
["NEG03975","Lincomycin",399.969,405.204477334404,0,6876.65015639521,7759.40028961323,1338.69316969286,3783.08036191481,7248.05320926992,142992.905222179,89499.889292606,151630.59485386,255223.328937498,3951.56479552322,129318.954303083,5.03236587164103,0.0150459058976396,0.0499631307202241,0.129517808196143]
["NEG00159","L-Leucine",708.7475,130.085880595046,7348393.49010825,7084991.47240554,7954111.82764972,7465908.93567802,7006984.75531702,15524078.9384633,19431933.5455022,14049627.8651396,19672087.8501264,18529485.4150584,7372078.09623171,17441442.722858,1.24237612265533,{"v":2.0891575401213e-05,"d":"2.09E-05"},0.000263233850055283,1.2979394285398]
["POS06936","Logate",229.876,377.144066774285,0,13415.0630336413,0,0,0,25167.266802445,67374.3097704392,67003.3449033173,59177.7337944618,48903.4627590893,2683.01260672826,53525.2236059505,4.31829317904979,0.000279461070217269,0.00190844178180434,0.0913866012925626]
["NEG03417","Lolitrem K",432.7405,600.323347275611,76593.4484011522,103281.678810533,114830.469637543,58326.3477970534,55080.5282919186,103878.975772734,171511.140201242,166651.589650375,235672.751511622,185200.743407651,81622.49458764,172583.040108725,1.08025198778521,0.00558997155318721,0.0214995208576151,0.114225546943107]
["POS06445","Lorazepam",28.7191,321.014915349445,7487.16438300652,139152.586113215,114372.421870022,104934.519800288,5870.60656593456,321004.610933512,521008.487627022,476475.843611983,487263.003800286,369116.514663095,74363.4597464932,434973.69212718,2.54826234914493,{"v":6.3317956465251e-05,"d":"6.33E-05"},0.000597249310681673,0.244191776834405]
["NEG06053","L-Ornithine",32.5904,131.081068761354,399612.441809301,420174.724773555,462026.032349461,281158.603150288,311785.940247218,16724037.2121006,22448151.8739865,16636751.6541959,15505336.4842186,17311885.6938494,374951.548465965,17725232.5836702,5.56295656638747,{"v":5.70593747441931e-07,"d":"5.71E-07"},{"v":2.93363888771007e-05,"d":"2.93E-05"},1.73374865217227]
["NEG04962","Losartan",197.588,421.164797886289,107281.250774912,123828.058108765,93606.6204244575,69682.4979314016,54800.6888795916,220080.458983232,499639.848986941,387904.928427985,346039.837303907,328831.81161613,89839.8232238255,356499.377063639,1.98847256165981,0.000464561337423067,0.00281188479336046,0.206002606293474]
["NEG01661","Lovastatin",561.4755,403.251861728047,342477.85554943,96370.5199803989,333098.969956266,286157.572741072,267603.446175182,774717.931621625,810600.187305277,643248.240554546,768227.171966454,784197.071059016,265141.67288047,756198.120501384,1.5120008240982,{"v":1.52974378919259e-05,"d":"1.53E-05"},0.000207349817244195,0.284882820295977]
["NEG05146","Loxapine",182.431,326.110310232148,6284396.61263989,7293805.36647707,5333157.16414133,8544392.22777629,5388498.20200523,1250021.81089902,1033626.86001169,1409555.65734158,2202884.82385188,1308688.43345634,6568849.91460796,1440955.5171121,-2.18861500354818,{"v":4.39273074912012e-05,"d":"4.39E-05"},0.00045385564664917,0.934096543196565]
["NEG05704","L-Pipecolate",37.7335,128.070198564192,1336593.92407293,1456336.48657733,915646.598737627,1264612.90151068,1074320.48304591,78075.2954450693,89080.3872179664,75672.1834448139,85182.2048830359,86019.0913249252,1209502.0787889,82805.8324631621,-3.86853705054854,{"v":2.56773473887904e-06,"d":"2.57E-06"},{"v":6.83659374226544e-05,"d":"6.84E-05"},0.439854743785445]
["NEG05879","L-Proline",35.32915,114.05449695712,515473.455269642,456447.282801619,559677.41671711,514296.813041162,579023.118393469,2239468.54831893,3972945.49041943,2759953.49059728,2553154.50827324,2871294.18829595,524983.6172446,2879363.24518097,2.45540549559803,{"v":4.39346065278539e-05,"d":"4.39E-05"},0.00045385564664917,0.626294627145913]
["NEG00034","L-Saccharopine",28.3453,275.124602418377,9938880.74333199,10651638.6265529,8427500.52785342,11201593.2947272,11415765.423461,1461114.82013191,2080489.33854813,2014876.37018035,1976177.06983663,2522417.7852312,10327075.7231853,2011015.07678564,-2.36043598700659,{"v":4.46204077238326e-07,"d":"4.46E-07"},{"v":2.77280564190125e-05,"d":"2.77E-05"},1.19774191140758]
["NEG06263","L-Serine",30.7563,104.033738473432,1113496.48320854,1039575.9035007,790437.136641273,1191266.40602527,839731.998131782,2049222.64024762,2379511.04628608,1358303.72454168,1736047.9590133,2663555.09409257,994901.585501513,2037328.09283625,1.03405260357453,0.00265695198164088,0.0116515158959604,0.388678971758965]
["NEG04607","L-Tyrosine",280.258,180.065472159357,932246.870695658,731821.60830394,726167.742836495,783546.505130388,713948.296751616,1757016.90216317,2026808.37922792,1420437.72013285,2215249.09003258,1928246.25893513,777546.204743619,1869551.67009833,1.26569203119958,{"v":5.37195259144473e-05,"d":"5.37E-05"},0.000532788114002933,0.423823743443229]
["NEG03596","Lucuminic acid",416.113,445.133162336318,115342.868443961,80270.1316392737,95370.8870230794,55902.9495794643,127449.780871761,1461691.15833733,913592.067621736,896410.827737846,1001811.43664022,607377.822567986,94867.3235115079,976176.662581024,3.36315911154021,0.000221857275640685,0.00159514849951907,0.375692999667097]
["NEG02605","Lucyoside M",517.854,835.459319727613,410728.487401726,330485.848429353,405837.028970922,665305.058434055,366270.233291673,147218.44942097,81324.3390505211,298949.356582955,67716.9273213581,61670.4150263201,435725.331305546,131375.897480425,-1.72971836829785,0.00340834804719352,0.0143554998258913,0.215856412057356]
["POS07607","Lumefantrine",35.4058,528.160168888642,498560.858129451,541036.270195562,474273.269345589,420170.892610191,293449.221658664,126417.873537632,135879.173811428,96379.9615845689,108050.157859681,79267.3393190004,445498.102387891,109198.901222462,-2.02846094686592,{"v":5.98967849934884e-05,"d":"5.99E-05"},0.000575358957321897,0.238534243722325]
["NEG06019","Luteolin 7-O-(2-apiosyl-4-glucosyl-6-malonyl)-glucoside",33.9117,827.207454446641,809024.140300552,646723.211866992,826907.240536095,556913.820307026,847186.812556565,45050.1823335433,68711.5421159719,14171.0914456382,53348.1826376607,86375.0698522222,737351.045113446,53531.2136770073,-3.78389936749417,{"v":2.6878499575321e-06,"d":"2.69E-06"},{"v":7.11405494676987e-05,"d":"7.11E-05"},0.341735266982863]
["NEG00196","L-Valine",695.699,116.070193276306,3903948.3294205,3646465.53770025,3183586.12605641,3445001.72520193,3435780.88168064,21869031.397978902,26323651.3611118,18199720.8469088,28625588.7203614,25014904.8557795,3522956.52001195,24006579.4364281,2.768571282191,{"v":3.49941151106003e-06,"d":"3.50E-06"},{"v":8.03850402576802e-05,"d":"8.04E-05"},1.87305496513983]
["NEG01227","LysoPA(24:1(15Z)/0:0)",599.977,519.353367463885,124029.221411093,116198.530462174,76477.7488204889,81960.8696806054,86142.7301290152,529019.78652976,584934.243414696,460179.577305861,432032.503356462,543835.051655638,96961.8201006753,510000.232452483,2.3950092191909,{"v":6.77543546530443e-07,"d":"6.78E-07"},{"v":3.24825488195938e-05,"d":"3.25E-05"},0.26776944464225]
["POS07569","LysoPC(18:3(6Z,9Z,12Z))",450.6085,518.320280285474,174872.610969002,285787.527569398,218375.931955469,191923.345343287,239206.624258191,973499.472169681,1202506.7880307,1031728.7132238,1569409.22991518,1199465.53726908,222033.208019069,1195321.94812169,2.42855187410251,{"v":1.56689141681966e-05,"d":"1.57E-05"},0.000211105581549227,0.407519082614954]
["POS07673","LysoPC(20:1(11Z))",504.351,550.385075508332,0,0,0,0,0,35557.9052115688,74245.5156252179,103648.030739224,81905.6456598586,123639.692817771,1,83799.3580107281,16.3546515709886,0.000482754408630328,0.00288299128144654,0.116681760651715]
["NEG03972","LysoPE(0:0/22:4(7Z,10Z,13Z,16Z))",400.747,528.320330640381,53958.6518042952,76864.9332762872,77807.9420130998,69077.6173489773,56499.6359232907,2121.59731784819,6730.06556232836,3113.8116567674,7193.86724029016,16633.796929402,66841.75607319,7158.62774132722,-3.22299467192672,{"v":5.36566903766976e-06,"d":"5.37E-06"},0.000103451024161624,0.101389628436764]
["NEG04126","LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))",376.682,526.304700360625,84385.0015114587,80239.7313412925,108151.281456872,93932.4940029379,68932.7288448352,5857.54126849307,9203.68835663614,4657.83995609142,3453.33997492402,8273.18351370722,87128.2474314793,6289.11861397037,-3.79221077344463,{"v":2.05527763035369e-06,"d":"2.06E-06"},{"v":6.00866460168109e-05,"d":"6.01E-05"},0.119690455009295]
["POS06246","M1",203.9695,304.013017493945,0,5020.81750346935,6512.7896836233,10922.6816855588,0,1570716.31106853,1155035.72261429,1485624.53068678,1080574.72987194,878282.155283764,4491.25777453029,1234046.68990506,8.10206173666784,{"v":1.21676887744481e-05,"d":"1.22E-05"},0.000177324326640741,0.456740758766347]
["NEG05056","Maclurin",192.249,261.040741940882,0,1727.27654740028,1864.30569596393,3701.791317326,1022.26607423633,2089992.47768545,2291212.05146663,2365183.59614649,2738529.92295219,2062610.79000809,1663.12792698531,2309505.76765177,10.4394692894837,{"v":6.2223243036319e-08,"d":"6.22E-08"},{"v":7.86426778115073e-06,"d":"7.86E-06"},0.636813508213266]
["NEG03138","Makisterone B",457.3745,493.312774252488,0,0,2741.20781655747,0,0,9064.71655619274,36495.8136232718,11302.6624519261,26317.3560667756,16458.1624391136,548.241563311494,19927.742227456,5.18382274884092,0.00539043339781687,0.0209300421774608,0.0519232023576016]
["NEG05936","Mallotophenone",34.7253,403.134505611022,63920420.1162382,64423250.2662633,60451996.5664884,64193459.8256101,60910962.0467888,14882404.3448482,17647753.9030341,13186134.7358102,18675471.2007007,17904014.3575919,62780017.7642778,16459155.708397,-1.93141510421455,{"v":5.73500394876995e-10,"d":"5.74E-10"},{"v":4.275445443808e-07,"d":"4.28E-07"},2.86613970111596]
["NEG05966","Malonyldaidzin",34.50835,501.105215775201,3851544.43340005,5315924.97664273,5146175.88450735,3349818.54631276,5412975.64627534,1248493.63848358,1622009.22271035,1436592.42536376,2064300.64049696,1842556.52681565,4615287.89742765,1642790.49077406,-1.49027214319979,0.000162717428332635,0.00125057569919567,0.682008725276322]
["POS06119","Mebendazole",223.838,296.099981527827,5125.21341406024,0,0,4698.50413619283,0,40599.3760341065,231091.106639424,144433.464036598,249761.438472227,208119.000206331,1964.74351005061,174800.877077737,6.47522762716145,0.00187444762421873,0.00883498864397302,0.161765155043894]
["POS06121","Mecambrine",216.636,296.131213359148,0,0,0,5721.8425112093,0,23125.7591715558,26831.4599513567,5909.8079682361,20828.5094008844,11980.6428696721,1144.36850224186,17735.235872341,3.9539949182391,0.00323383751822197,0.0137630401703205,0.048047439234302]
["POS05662","Mecarphon",290.887,272.023178210286,9135.78059870543,294021.898881186,325107.738024938,0,135888.381573641,1243763.29849675,1144737.64429086,858400.668724623,893154.400174672,1313699.2340927,152830.759815694,1090751.04915592,2.83531501652375,{"v":3.72087279339024e-05,"d":"3.72E-05"},0.000403339833544531,0.397592132621005]
["NEG05918","Medermycin",34.7919,456.17164487667,149419.213466006,241772.193190109,264291.425994773,385827.587951864,167944.031480207,431885.222731351,935431.067993167,602001.349676026,792015.777102244,585280.440553899,241850.890416592,669322.771611337,1.46858424899008,0.00229763045870027,0.0103531680038551,0.248667458304368]
["POS06130","Medicagol",28.7698,297.035093556234,4112.51026570271,0,9854.67635200148,0,6245.99901416899,176739.151364297,298883.317917963,170108.414595451,293720.688556564,197835.911562002,4042.63712637464,227457.496799255,5.81415646436023,{"v":5.11734710780111e-05,"d":"5.12E-05"},0.000517870896226117,0.192246185552817]
["NEG06349","Medione",30.3376,171.045623019017,1992644.63554261,2976270.11673336,4933099.19961623,1754051.1177727,2980635.78150586,1742936.10999282,473738.45550616,1603363.6027786,461547.812855272,465173.594003661,2927340.17023415,949351.915027303,-1.62457551943621,0.0142131994763381,0.0475865578275901,0.506952318711768]
["NEG01893","Megalomicin B",544.6145,917.537166634521,1140823.99207493,1075819.10060719,1131148.96899049,1389297.90193706,1086752.58497102,432646.496146825,555630.558460983,432423.088054478,639710.361140788,441165.954787489,1164768.50971614,500315.291718113,-1.21913380408232,{"v":1.41361046873255e-05,"d":"1.41E-05"},0.000195156778600021,0.340870402247796]
["POS00327","Melibiose",34.9421,360.148716548427,490260052.304223,421083660.348853,383101133.695459,560231287.831876,370668879.808048,201575102.042422,127631082.321828,138574336.437739,142546563.191726,132307886.926773,445069002.797692,148526994.184098,-1.58330386770818,{"v":5.23491979402599e-05,"d":"5.23E-05"},0.000527108057912538,7.1542843932501]
["NEG05165","Melicopicine",181.242,328.115362987598,71381.5645313354,93823.0500898964,78737.0374370446,124385.245029703,71464.4572243764,3280.1715906614,2155.94363806474,11144.597343658,17589.3602611563,3946.79654290775,87958.2708624712,7623.37387528964,-3.52831770562677,{"v":5.6517356690711e-05,"d":"5.65E-05"},0.000553177541526368,0.116982346785049]
["NEG05149","Melicopine",182.385,312.09473919136,1613328.98182499,1449295.94203467,1103534.96202754,2236798.61702175,1300820.85688302,297157.98527667,203009.837065354,304347.835628589,406919.707662374,258651.955160528,1540755.87195839,294017.464158703,-2.3896645329007,0.000218932645903767,0.0015820447901899,0.456497555515391]
["POS07327","Melleolide L",36.4634,451.147505786775,36272.8432321679,81408.4240802643,116466.235876479,65198.5589645814,64775.0041399292,1913356.98598554,2571439.46642538,1670514.0724837,2791453.67674264,2771935.41967753,72824.2132586844,2343739.92426296,5.00825046754598,{"v":9.99196975549175e-06,"d":"9.99E-06"},0.000157073606225785,0.621556174045699]
["POS06764","Melosatin A",531.53,354.172337642857,195038.298529681,78297.5233801755,56887.7652914586,190215.217141577,121953.912276499,290596.069170546,290022.505765152,255837.695877127,281723.269011704,461255.6003375,128478.543323878,315887.028032406,1.29788125278735,0.00376111297054777,0.0155197954956275,0.163954194020409]
["NEG06347","Meloxicam",30.3788,350.023309235269,5846.11880496126,10726.1075157708,0,9738.02198899525,0,594666.562014472,668841.68310034,501616.811487702,841651.717388185,775668.17528987,5262.04966194546,676488.989856114,7.00629777932368,{"v":4.16658009074979e-06,"d":"4.17E-06"},{"v":9.08386120077518e-05,"d":"9.08E-05"},0.339453038868312]
["NEG05164","Melphalan",181.294,303.069403569369,97098.6012249133,117016.047089143,87005.7760264667,145743.61554553,81974.9935140224,9241.18421810207,9894.72187361745,14470.5720151741,26853.5687826019,10067.4269176446,105767.806680015,14105.494761428,-2.90657139504146,{"v":6.53093868314868e-05,"d":"6.53E-05"},0.000612413702856963,0.124816619279746]
["POS06584","Menadiol disulfate",28.7191,334.99081388172,139720.493568146,140569.17186016,103877.102030364,119840.747750772,76687.4347895336,1480840.17006004,3140003.05586725,2346836.05133199,2422552.63536268,2329767.69889843,116138.989999795,2343999.92230408,4.33504822398521,{"v":2.92100615972913e-05,"d":"2.92E-05"},0.00033587816330253,0.612371395052211]
["POS00139","Met Asp Ser",34.0559,352.116038640455,12621847.1479685,13350488.9740132,13482368.0017582,9981401.04582174,15861483.3674139,42056583.7933153,55911656.0103283,40365931.2645169,56973350.2175127,52381411.2767414,13059517.7073951,49537786.5124829,1.92342778772528,{"v":7.99164079646114e-06,"d":"7.99E-06"},0.000133882431769928,2.50204309777761]
["POS00222","Met Met Met His",37.009,549.195854328981,40911.9916239079,0,20297.1824504422,0,16970.6442174642,726453.902485447,1054912.16107334,905168.767213074,471855.523019722,1307090.20816439,15635.9636583629,893096.112391195,5.83587540062595,0.000267147277004335,0.00183275323925144,0.377665657279787]
["POS06433","Metcozole",37.8048,320.152502424949,480399.906538375,269389.156800463,103050.173055069,243278.324884411,341266.35886529,30078.6847143648,32363.0439780512,50188.2573575745,119995.944811959,57158.2191349151,287476.784028722,57956.8299993729,-2.31039485932037,0.00708440900706821,0.0261456777958879,0.17613888964932]
["POS07972","Methanofuran",36.7429,749.279332312673,322365.40516014,386526.477736079,270226.150008423,367427.112771946,278182.32293037,0,21313.1100176765,0,0,0,324945.493721392,4262.6220035353,-6.25231280376389,{"v":8.29631077580811e-07,"d":"8.30E-07"},{"v":3.53422839049426e-05,"d":"3.53E-05"},0.236467243393227]
["POS05494","Methaphenilene",207.9385,261.143525837427,46101.2481964784,48449.6469961341,31108.1002713326,53466.4954840976,45280.288520667,606186.122252818,896884.528858599,658198.629904113,766621.899001083,841189.339419767,44881.1558937419,753816.103887276,4.07003087835159,{"v":1.16261952227698e-06,"d":"1.16E-06"},{"v":4.48310096822837e-05,"d":"4.48E-05"},0.350512005030977]
["POS05025","Methazolamide",32.189,237.015082371516,902671.607093022,810289.845793216,612571.01575349,521005.364575669,489204.811800964,96469.7550396791,124307.964079481,86423.7805892114,104074.256513186,172008.20615635,667148.529003272,116656.792475582,-2.51573767575718,0.000158835149608154,0.00123345420867582,0.299178509924538]
["POS06966","Methicillin",117.771,381.114289088737,4290.58011450187,7656.94144992026,8671.86243000725,0,0,260272.507083842,212630.207345392,87396.7727332435,98838.1604894098,227605.325448948,4123.87679888588,177348.594620167,5.42644285487933,0.00118994127663516,0.00606910756030681,0.161751091760832]
["POS03086","Methomyl",203.395,163.051721589064,130622.337442506,79248.2493301348,72274.2017683566,109607.962744147,126426.509950334,1336498.57930856,1105364.62401513,959338.207337011,1385867.78371524,1135354.45969272,103635.852247096,1184484.73081373,3.51466451410675,{"v":8.10842263295646e-07,"d":"8.11E-07"},{"v":3.53422839049426e-05,"d":"3.53E-05"},0.432207154150053]
["POS06339","Methoprene",459.4595,311.256957443823,787835.179741289,796329.941816802,914578.437537467,752955.441752787,403955.203792795,261250.916239184,420351.291605548,66400.7744200293,390432.574050135,458382.613283231,731130.840928228,319363.633919625,-1.19492956778281,0.00623103920167192,0.0235202011384628,0.247780575619462]
["POS07145","Methyl aklanote",179.719,411.10554945281,0,0,0,0,0,241456.305004072,150069.82432776,219122.573789053,227191.258891111,180218.409235958,1,203611.674249591,17.6354607563767,{"v":1.98484540048041e-06,"d":"1.98E-06"},{"v":5.95853253446234e-05,"d":"5.96E-05"},0.187781587319512]
["POS04551","Methyl bisnorbiotinyl ketone",222.4735,215.080880440974,234542.4654026,241422.476683893,191009.85610323,282634.994599192,209714.047332952,541940.014883093,654172.27728022,512508.161505398,901916.415227224,497745.596702977,231864.768024373,621656.493119782,1.42283399646083,0.000961012537612221,0.00506911448200409,0.244071430437705]
["NEG04599","Methyl nigakinone",281.649,279.077225533608,9397.36236193733,3807.86605026927,1048.09939241067,2931.95480787802,3327.78841484428,104690.787543042,108557.898445811,86575.5634240556,109640.504071308,116666.437281769,4102.61420546791,105226.238153197,4.6808071801934,{"v":5.38771009320762e-08,"d":"5.39E-08"},{"v":7.53100851466178e-06,"d":"7.53E-06"},0.133113238046455]
["POS06432","Methylene blue",177.89,320.095383930269,1035948.32080958,1085332.4861451,913826.179778556,1090095.9732882,654802.751652453,130793.727917173,262515.185082285,96503.7234866215,331749.232182553,232576.889995871,956001.142334778,210827.751732901,-2.18094755741682,{"v":4.12828369399009e-05,"d":"4.13E-05"},0.000432671294921146,0.357592309872884]
["POS05942","Metominostrobin",226.603,285.122275312396,0,0,0,0,0,42973.5129653221,178293.077383547,75106.5433409904,154018.556038503,104194.41746125,1,110917.221437923,16.7591238557543,0.00209669146549384,0.00966855765479788,0.12843327010916]
["POS07640","Mezlin",177.293,540.121888360841,0,0,0,0,0,80318.2997794347,237012.530755816,206266.244515947,195928.310201896,182899.21107569,1,180484.919265757,17.4615187696687,0.000139467320842749,0.00111200949399218,0.172586352248365]
["NEG02087","MG(0:0/21:0/0:0)",536.042,399.347480571308,2094797.10912962,2188171.02893559,1694709.74080314,2075496.94932425,1891982.38534054,4911826.05149037,6347002.05034518,4867421.07676136,5435366.56494657,5287696.24564701,1989031.44270663,5369862.3978381,1.43281903722902,{"v":2.11798999248452e-06,"d":"2.12E-06"},{"v":6.05888685336496e-05,"d":"6.06E-05"},0.762548925566141]
["NEG04135","Militarinone C",374.824,422.231258457698,281806.724039879,273271.643964498,403984.617659668,357402.036108732,271640.042191016,87057.3939708199,87232.0293874989,31006.1993574691,56953.0573713724,82647.46486668,317621.012792759,68979.2289907681,-2.20307245133349,{"v":2.65391155387335e-05,"d":"2.65E-05"},0.000313217582598298,0.208384590857611]
["POS06548","Miraxanthin-III",279.6205,331.125745702531,0,0,0,0,0,66778.3680976721,137770.459048206,77022.8585461701,121587.387195273,149646.396761862,1,110561.093929837,16.7544842698717,0.000151280858438583,0.00119343788323771,0.134535021751216]
["NEG02503","Momordin Ia",522.9935,777.456084824035,1888055.01059098,1337018.56431438,1744049.38708156,2493239.70507677,1439024.6298749,874490.27648705,239753.220884959,529682.051956512,396806.315903869,617689.065103965,1780277.45938772,531684.186067271,-1.74346064332887,0.000632953592384947,0.00359746050665549,0.455277601263177]
["NEG02608","Monoammonium glycyrrhizite",517.686,838.433587724989,463350.83795098,369108.446262743,384669.268619707,613748.477874103,339039.024032372,162669.300885924,127387.060153734,79007.1866507275,103405.844505068,105597.599154089,433983.210947981,115613.398269909,-1.90833063234988,0.000260074271010484,0.00179800960468299,0.232743225758064]
["NEG03362","Morphinone",442.9175,282.111608193646,115188.699157247,323187.338751721,80549.1774495705,180642.839658389,72691.510880734,628697.240980038,791472.464736497,584569.683564713,848553.85398482,893903.212035623,154451.913179532,749439.291060338,2.27865387463318,{"v":5.34978538400637e-05,"d":"5.35E-05"},0.000532788114002933,0.315914617218929]
["NEG05073","Moxonidine",192.245,240.061801734883,1634.68495001566,0,813.473045154515,2955.31114508509,3087.47899351831,144531.27852974,212600.299611677,174944.404756067,264447.233747935,140396.679844734,1698.18962675471,187383.979298031,6.78585623737841,{"v":4.37549440999177e-05,"d":"4.38E-05"},0.00045385564664917,0.175954334605271]
["NEG04214","Mupirocin",362.7735,499.286962372176,393272.900230839,402700.931434646,554754.830356922,408727.202366819,431194.759085632,100363.331405577,112672.077894504,50363.8404059163,97207.1643222977,103166.626015067,438130.124694972,92754.6080086724,-2.23986855296344,{"v":4.51326128703716e-06,"d":"4.51E-06"},{"v":9.43355969014823e-05,"d":"9.43E-05"},0.245001547232579]
["NEG03538","Myxalamid B",423.5085,400.285401294511,1506.74345548281,0,0,1926.7896851557,4306.91018058536,6432.68720231347,10021.8672246625,5719.58410928232,4455.30686986338,13100.6750150658,1548.08866424477,7946.02408423749,2.3597450643659,0.00689362673843207,0.025572920133375,0.0301616210211417]
["POS06466","N-((R)-Pantothenoyl)-L-cysteine",183.477,323.125897161708,0,0,0,0,0,20297.5795079774,117914.037433072,41158.3560557093,97430.7537517087,92502.7547237824,1,73860.69629445,16.172519242632,0.00389014462917928,0.0158909743619351,0.103282995401728]
["NEG05920","N-(1-Deoxy-1-fructosyl)tyrosine",34.7826,342.111952952783,27330734.0698887,29055899.1506403,27090377.7855254,26623911.4333158,25386111.3488162,7477169.58765191,8717521.41365911,6547179.52768243,8814065.2520215,8690971.51202518,27097406.7576373,8049381.45860803,-1.75120496008931,{"v":5.80605876506245e-09,"d":"5.81E-09"},{"v":2.10532865867737e-06,"d":"2.11E-06"},1.83425362686596]
["POS07933","N-(2R-Hydroxyhexacosanoyl)-2S-amino-1,3S,4R-octadecanetriol",34.9476,712.698266392747,762251.260553553,1357766.289306,1243871.17151515,1203739.06707535,980729.679842007,454072.698261789,224334.288301022,200062.333901711,407765.755982958,294584.254951409,1109671.49365841,316163.866279778,-1.81138824581987,0.000143483439462322,0.00113996700659852,0.361522446665969]
["NEG01853","N-(2R-Hydroxyhexadecanoyl)-2S-amino-9-methyl-4E,8E-octadecadiene-1,3R-diol",547.614,564.507466399568,3710586.09481127,3937902.84295451,3771757.32577472,3777133.84913262,3526654.62682415,14182759.8871621,13210676.1419398,11021078.5446745,15176870.7292383,13173492.2351356,3744806.94789945,13352975.5076301,1.83419800842714,{"v":7.04897012136461e-07,"d":"7.05E-07"},{"v":3.25051993328494e-05,"d":"3.25E-05"},1.28822356079215]
["POS07908","N-(2R-Hydroxypentacosanoyl)-2S-amino-1,3S,4R-octadecanetriol",28.1853,698.674437420978,230717.295631546,202712.783693532,241282.886196768,232417.107794977,160643.954128228,45933.4930982469,78035.2867290403,59228.5882345966,75385.8247770482,60395.3415982754,213554.80548901,63795.7068874415,-1.74307511575298,{"v":1.29468976113521e-05,"d":"1.29E-05"},0.000185613695562749,0.16221059176337]
["POS05176","N-(3,5-Dichlorophenyl)succinimide",25.1107,243.996243415381,2166506.46459253,1041114.63290148,826593.37811847,1891062.36462948,1026661.7238545,1757264.90978156,3909211.62355635,2223435.50782896,3044141.52750651,3249990.83200909,1390387.71281929,2836808.88013649,1.02878171957354,0.0144805583990344,0.048264931236126,0.427058671645946]
["NEG05559","N-(3-Oxohexanoyl)homoserine lactone",46.5082,212.089576467216,8556.31269936155,12434.5102040855,11884.1425262431,3366.3972256812,5823.27509784621,41902.312635043,71819.2149629817,60202.5339881714,77429.3267064661,79470.1160289038,8412.92755064351,66164.7008643132,2.97538191319889,{"v":4.04740714168768e-05,"d":"4.05E-05"},0.00042799177647208,0.0988366064516855]
["NEG04883","N-(6-Aminohexanoyl)-6-aminohexanoate",212.162,243.170941441694,3337.38036788861,6015.5635058056,6084.54057784468,14662.105078656,5439.90232106883,37171.6545578722,51986.091886556,30145.5071457179,54257.164882887,38849.5407138954,7107.89837025274,42481.9918373857,2.57935645206816,0.000103739958665049,0.000877181162776488,0.0754891421618928]
["POS06018","N-(6-Oxo-6H-dibenzo[b,d]pyran-2-yl)methanesulfomide",203.218,290.051817815626,0,0,0,0,0,239588.029448694,257403.217531447,432786.8529328,233509.181314113,369236.369208086,1,306504.730087028,18.2255498126936,{"v":6.01301741360409e-05,"d":"6.01E-05"},0.000575358957321897,0.22800333764164]
["NEG06007","N(omega)-Nitro-L-arginine methyl ester",34.09265,232.101306895623,0,0,0,0,0,242105.58950601,457087.92048332,268991.950912116,140428.065319659,316409.311921137,1,285004.567628448,18.1206255152654,0.000570072356401257,0.00329448792013284,0.211388112089842]
["POS04529","N,N-Dihydroxy-L-tyrosine",28.8158,214.071261886422,69229.8554998075,97748.5074926228,103530.457441228,112422.427980181,33939.0373621526,386460.838511857,691023.333191289,617235.241208856,568597.451795759,499332.817364499,83374.0571551984,552529.936414452,2.72838218610857,{"v":2.37220656238226e-05,"d":"2.37E-05"},0.000289914752828848,0.28068055412744]
["POS00035","N2,N2-Dimethylguanosine",190.157,312.12913587896,4592486.69998102,5530855.68792151,5089763.14585908,4562084.82908421,4019728.08403448,1130320.29333756,1765147.53932679,1096321.8509176,1908228.58150573,1672348.88047707,4758983.68937606,1514473.42911295,-1.65183724311586,{"v":5.59193947589217e-06,"d":"5.59E-06"},0.000105553668338951,0.747018396354804]
["NEG00035","N2-Acetyl-L-ornithine",36.3988,173.092024415093,215664.915285496,204962.166687335,234562.865891923,129913.309625704,185464.911685508,908109.395422252,1347719.25518212,1073476.94541848,2034090.25382373,1676800.29645968,194113.633835193,1408039.22926125,2.85871417296693,0.000346925135267905,0.00225501037508688,0.442436176553325]
["POS00223","N2-Succinyl-L-ornithine",93.7027,233.112381103469,655227.249320056,857839.725709793,886121.055334481,578632.792410511,868650.857874945,8798070.40784571,17961066.3160373,9972140.36017611,13570338.1392191,12051101.9849309,769294.336129957,12470543.4416418,4.01884483945818,{"v":8.36267414399398e-05,"d":"8.36E-05"},0.000739253783519468,1.38719468571149]
["NEG05994","N4-(Acetyl-beta-D-glucosaminyl)asparagine",34.25185,334.125355443576,220412.803501181,156523.626069669,151482.154178452,243902.559394676,98716.4793685498,2009617.17547596,4570590.09461197,4356359.71308952,5139469.53975852,2903577.63794375,174207.524502506,3795922.83217594,4.44557181955109,0.000246229400233821,0.00171822793642103,0.766138904256358]
["NEG05897","N6,N6-Dimethyladenosine",35.0541,294.119307491012,0,9182.95765173934,0,0,0,360485.283926947,979776.586597603,685780.682605706,883555.581371419,415857.970133609,1836.59153034787,665091.220927057,8.50037761997611,0.000648999833041481,0.00367001441790833,0.322164626317189]
["POS05562","N6-Methyl-2'-deoxyadenosine",44.2037,266.123832809472,446171.825310649,468322.896399107,316617.419554246,524875.508382856,187728.966536423,10152.3359537427,0,0,18736.8660420648,8782.88349801022,388743.323236656,7534.41709876354,-5.68917818474825,0.000241432908803329,0.00169800220295171,0.252371406072354]
["POS00010","N6-Methyladenosine",37.4211,282.118677195905,13755108.7329506,11806748.908138,11877580.507556,14480199.2148562,10504966.1487738,5334379.81610732,5589072.47919277,4594502.37372003,5369752.71123107,6590137.56670766,12484920.7024549,5495568.98939177,-1.18384589313092,{"v":2.05351452545033e-05,"d":"2.05E-05"},0.000259473742156478,1.10456288617754]
["NEG03619","N-Acetyl-9-O-lactoylneuraminic acid",414.17,380.125130669727,0,0,0,0,0,18045.5244500968,50976.7451692809,24045.9006975171,102127.030265969,80161.1388677092,1,55071.2678901146,15.7490122031776,0.00912356296583828,0.0323373194502335,0.0870500493223903]
["NEG05450","N-Acetylaspartylglutamate",99.85,303.083033283746,815687.553025328,875407.086746047,822582.858801041,819204.990292008,684044.520000877,89774.5551501888,216483.793676817,132262.284356686,155363.527595876,174100.244606481,803385.40177306,153596.88107721,-2.38694332543377,{"v":1.43327380519686e-07,"d":"1.43E-07"},{"v":1.18722846863806e-05,"d":"1.19E-05"},0.338588856621005]
["NEG04553","N-Acetyl-D-fucosamine",290.913,204.082830753197,73272.5382306842,85073.8100899052,69884.9680472846,92437.5634245309,59117.8246291136,76315878.5434317,93395380.0610626,89380638.5831793,117045483.314019,76463296.6235512,75957.3408843037,90520135.4250488,10.2188336271682,{"v":1.97888538857381e-06,"d":"1.98E-06"},{"v":5.95853253446234e-05,"d":"5.96E-05"},3.95351321511811]
["NEG05200","N-Acetyl-D-glucosamine",175.4595,220.080031788539,27346.1016956345,21210.6201429629,19963.3377301181,21024.7578014706,20398.8325237363,64749.2332209216,82882.5113313726,67795.7154536546,176114.685809035,82645.9134713146,21988.7299787845,94837.6118572597,2.10869505454149,0.00785704148353724,0.0284340991552282,0.100287288245873]
["NEG06535","N-Acetyl-D-glucosamine 6-phosphate",27.8033,300.048643376468,301330.319132692,500529.102287288,564681.325654914,511723.926944324,260081.67936845,786050.879640468,978201.758084657,842503.455344305,881236.431989508,846582.671918181,427669.270677534,866915.039395424,1.01939506242019,0.000217755900951433,0.00157608761319702,0.263064922930798]
["NEG00699","N-acetyl-L-2-aminoadipate(2-)",672.629,200.055544930218,459132.24304614,404487.821940981,367972.165880773,295529.884012389,364684.698590074,840733.421239721,1224275.84476259,762592.323418128,991957.03761319,890020.853229872,378361.362694071,941915.8960527,1.31583347509617,0.000153389690144582,0.00120582088579388,0.302483061984615]
["NEG04005","N-Acetylleukotriene E4",394.0155,480.244582090616,0,1312.82082197845,0,0,0,5527.86659077024,19424.3230332891,3169.0771763786,14995.1903817689,19729.08824062,262.56416439569,12569.1090845654,5.58106855699073,0.00776334714932071,0.0281862433432724,0.0411900017922678]
["NEG00571","N-Acetyl-L-glutamate",674.549,188.055492271529,1343726.65398569,1337252.37791272,1287910.29856289,1485207.19707945,1198622.78951679,523472.325896604,737473.945851175,536201.670699952,529282.986999121,683990.56522174,1330543.86341151,602084.298933718,-1.14397867115593,{"v":3.55818599081967e-06,"d":"3.56E-06"},{"v":8.12028874333488e-05,"d":"8.12E-05"},0.357564972861351]
["NEG06316","N-Acetyl-L-glutamate 5-phosphate",30.4804,268.020224231675,46930.2846684409,32471.8775785412,20201.0317114477,53325.9305810612,23331.320928301,862135.810810961,995983.560511139,601821.994681767,919632.516746583,989830.1323635,35252.0890935584,873880.80302279,4.63165584863648,{"v":2.86721710880636e-06,"d":"2.87E-06"},{"v":7.38484821195406e-05,"d":"7.38E-05"},0.378610510129701]
["NEG05830","N-Acetyl-L-histidine",36.59025,196.071751794467,45704.9210552846,35902.4037821407,103540.473280936,35766.3158234298,43873.8793915819,211717.194051408,673627.591024087,570652.182576139,500081.048830328,421660.708695168,52957.5986666746,475547.745035426,3.1666805845427,0.000683879714120971,0.00381896874065306,0.257795685579475]
["POS06848","N-Acetylmuramoyl-Ala",191.946,365.155624736594,0,0,0,0,0,0,45098.3792317805,29606.8586553167,16223.943749465,44904.6203727242,1,27166.7604018573,14.7295549160025,0.0138669614847759,0.046601742089709,0.0603410923223064]
["NEG05208","N-Acetylphenylalanine beta-phthyl ester",174.482,332.125048659758,56449.1556043246,75317.9917485203,55573.5307600142,68776.1166071917,36293.0472983112,195852.087145036,204492.279872668,121295.807053405,177572.648576889,189267.534823431,58481.9684036724,177696.071494286,1.60334801072578,{"v":7.96937921899954e-05,"d":"7.97E-05"},0.000711517629672354,0.138994924388764]
["POS02043","N-Acetylputrescine",36.7627,131.11758700787,7906656.46602816,6690749.30180591,6775972.50425661,8439406.00994851,5572331.91681125,632662.586437654,893831.592799853,785240.005914553,759783.248978618,908867.942454235,7077023.23977009,796077.075316983,-3.15216263406817,{"v":1.62893877216504e-06,"d":"1.63E-06"},{"v":5.50095890579573e-05,"d":"5.50E-05"},1.0555464858525]
["POS00141","Nalpha-Acetyl-L-arginine",37.3933,217.128872834719,3732284.11801754,3672748.17834091,3807553.16612444,3651841.89416763,3805604.49842291,7134396.67847348,15505636.3494034,11846342.7417009,7521155.97260526,8156042.07837837,3734006.37101469,10032714.7641123,1.42591574510221,0.00438453911608791,0.0175577828704219,0.950351928682835]
["NEG05802","Naringin 6''-rhamnoside",36.8593,725.235704792512,52818.5565694716,115767.040911372,91003.8481301115,85619.8451318017,38676.7038491112,22145.4199326078,21036.9393289944,16551.3928259064,28445.8042905722,31216.3341793976,76777.1989183736,23879.1781114957,-1.68492474506733,0.00557226278008982,0.0214498549185385,0.0873310533910992]
["POS05815","N-Benzoyl-D-arginine",31.127,279.143714051295,852055.774549407,890151.537021948,719538.620186878,888036.536681402,966970.067312133,23447.7843777047,58434.5395930315,20176.9778182048,52735.2939727179,18027.1982388824,863350.507150354,34564.3588001083,-4.64258932281712,{"v":4.08971175430307e-08,"d":"4.09E-08"},{"v":6.53331452749916e-06,"d":"6.53E-06"},0.379939719548524]
["NEG05285","N-Cyclopropylammeline",166.276,166.074446549071,250383.609691105,300730.678999195,184481.773002075,299834.61602171,135301.92049924,47997.271919172,100693.592645625,79770.8398156739,92111.8757168828,103591.023731369,234146.519642665,84832.9207657445,-1.46471545461178,0.0023622673354715,0.0105853336601633,0.15117777254701]
["POS04616","N-Desmethylaminopyrine",36.61175,218.12576194181,3164296.94458641,2493118.38783068,2594668.10558347,2357221.37747833,3442340.24196004,1001532.58508383,2034153.2818947,1656473.38669744,1161184.92027704,1130634.47057474,2810329.01148779,1396795.72890555,-1.0086179872188,0.00112623086545835,0.00577709938210458,0.460295994237919]
["POS05392","N-D-Glucosylarylamine",41.7347,256.120315656893,124783.679017817,209701.992429975,1789659.98008965,2631803.01762674,318957.101050519,5236707.12431698,7177067.9156465,6651011.63502887,6983785.41768976,5731597.62047195,1014981.15404294,6356033.94263081,2.64667388901807,{"v":2.86881239622934e-05,"d":"2.87E-05"},0.000331581339750228,0.935163091456666]
["POS03471","Ne,Ne dimethyllysine",28.8368,175.142927595687,7348414.06631254,8534008.45647312,7666859.69988554,8248413.85382269,6457038.98264541,3224988.31578532,3641138.08593474,2446705.62946302,3478945.80698946,3661293.57868545,7650947.01182786,3290614.2833716,-1.21728140374353,{"v":7.40557402335675e-06,"d":"7.41E-06"},0.000128391986846801,0.870508089256926]
["NEG05141","Nebularine",183.1975,251.078093277675,13057.3968873667,2525.36373749208,4250.79031229814,6525.56382739611,2435.84852266114,32796.7564787443,80459.5231151305,55847.5882264148,33475.6098138315,52488.161725168,5758.99265744283,51013.5278718578,3.14699148689531,0.000996167293774474,0.00521763033378598,0.0833121596229615]
["NEG04175","Neoarctin A",369.0175,741.296329892004,32210.8624223358,39068.6757232432,36147.4299748092,20015.7433607874,37952.3363276234,52738.1595192558,115014.884192422,66051.6463677548,103710.9248425,74441.3586306605,33079.0095617598,82391.3947105186,1.31657762582135,0.00369719381924032,0.0153125444013536,0.0851209900285908]
["NEG04957","Neolinustatin",197.594,422.168226083845,11225.5007998168,10385.2053845083,12022.4280103403,4327.94299139957,0,37052.8333784303,84168.9952343486,64808.1980216328,59579.8469597869,53766.8491782344,7592.21543721299,59875.3445544866,2.97936921684162,0.000182061300945327,0.00136408743572604,0.0920497736613752]
["POS07405","Neomethymycin",401.2965,470.312900821453,159443.504480046,177652.519855204,206485.250178202,162488.729195368,149440.08926851,17374.8548459029,7810.99870099345,0,9517.13233588177,20793.1690267778,171102.018595466,11099.2309819112,-3.94632515328426,{"v":3.65045726518232e-07,"d":"3.65E-07"},{"v":2.40921731438221e-05,"d":"2.41E-05"},0.167781579990565]
["NEG05058","Neostigmine bromide",192.249,301.059023821993,22202.5493438942,6862.92488233377,9041.88528670482,28781.7609550168,10959.5519516031,596718.822296461,707879.966139002,729579.253485962,872086.798798515,634852.613895844,15569.7344839105,708223.490923157,5.50738845002559,{"v":4.944531994509e-07,"d":"4.94E-07"},{"v":2.79960653309351e-05,"d":"2.80E-05"},0.347468868024861]
["POS00269","N-epsilon-Acetyllysine",37.5918,189.122714051837,32343580.6080151,28998340.009509,23780983.5802426,27891824.9415604,30712332.2853771,1790331.52857003,2731061.13729128,1694738.81922811,1533021.78227935,2227883.00646951,28745412.2849408,1995407.25476766,-3.84857659295516,{"v":8.5298079888422e-08,"d":"8.53E-08"},{"v":9.0016636558591e-06,"d":"9.00E-06"},2.15771193361654]
["NEG05885","N-Formimino-L-glutamate",35.2674,173.055547404059,206581.857569168,135271.983083285,217776.586437672,279582.420204501,203966.615592079,1381824.5022385,1811671.96073648,1836440.19808997,1627204.40705665,1274312.29281389,208635.892577341,1586290.6721871,2.92659787728104,{"v":2.17833565496593e-06,"d":"2.18E-06"},{"v":6.12811030481924e-05,"d":"6.13E-05"},0.486836738684639]
["NEG05045","N-Glucosylnicotite",192.257,285.085349102074,81693.3909198632,75070.0557826474,59586.3205649295,11439.7902694615,24825.7010477777,7228887.06598423,8410541.04812342,8055436.85132511,9896035.88596898,8068271.37322597,50523.0517169359,8331834.44492554,7.36554857872756,{"v":6.21880784548875e-08,"d":"6.22E-08"},{"v":7.86426778115073e-06,"d":"7.86E-06"},1.20648772508178]
["POS07454","Nicergoline",180.665,484.122928924224,0,0,0,0,7922.49858335107,299600.668991602,593499.874782606,291247.252229919,364643.946881237,852618.717332827,1584.49971667021,480322.092043638,8.24383095377324,0.00218827017476767,0.00995740843513305,0.268419181273878]
["NEG03657","Nicofetamide",413.377,301.134369395141,2228.35122371731,0,0,2746.10753979887,2157.94950796346,39262.2920500658,70630.9515665592,43498.4812327804,61326.2600065847,80194.9507256194,1426.48165429593,58982.5871163219,5.36975600588731,{"v":8.00222462701514e-05,"d":"8.00E-05"},0.000713026907502763,0.0976840807464415]
["POS00112","Nicotinate D-ribonucleoside",37.2763,256.080627596931,20880218.9040851,16356102.0429203,16425352.0506025,23133574.1165743,11536559.4388564,67291397.564856,86360757.245288,74560687.6239487,55602875.8597381,83439332.7878214,17666361.3106077,73451010.2163304,2.05577741042092,{"v":1.35047433298725e-05,"d":"1.35E-05"},0.000190174347521956,3.06422243423441]
["NEG05079","Nicotyrine",192.066,157.075734675169,1723099.17134483,2113937.27824453,1908572.97582137,1910632.42370591,2016282.46532482,70649.2915130682,115341.890939609,96149.2101964483,1999162.40586841,91836.7178823806,1934504.86288829,474627.903279983,-2.02709553148815,0.00542674968379663,0.0210345332197767,0.453416206415922]
["NEG05731","Niflumic acid",37.4042,281.054282234716,503852.73854712,570501.158875176,472440.657536868,437001.013241094,509567.835655609,182740.06967693,239305.267006111,190297.333289213,269787.296265248,237238.695463703,498672.680771173,223873.732340241,-1.15540790558641,{"v":8.56743829663528e-06,"d":"8.57E-06"},0.000141933894447591,0.214055786335281]
["POS05706","N-Isobutyl-2,4,8,10,12-tetradecapentaenamide",34.2631,274.211498190902,7777465.16939237,18283879.1324982,13916858.4349686,14788058.7307542,6484666.75328621,5748957.39028985,3833940.96725551,4167925.0820957,6229406.38289677,4049991.57771495,12250185.6441799,4806044.28005056,-1.3498817667865,0.0113724623049328,0.0391903111633008,1.01246782026347]
["NEG06423","Nitrofen",29.6777,281.978368660612,624474.321413311,554163.00105378,435232.053268153,690184.450910665,554414.214698518,1249067.7393579,1696706.28666442,1290629.0022746,1356063.45510077,1573848.44637573,571693.608268885,1433262.98595468,1.32598928486089,{"v":1.9349333703982e-05,"d":"1.93E-05"},0.000250868317849018,0.380370501986475]
["POS02878","Nitrogen mustard",36.2609,156.035591694096,782533.144705776,1128856.50134421,1282208.50167706,640532.379345316,1313284.70957641,1971936.08047775,2839138.50890896,2027496.02508536,2085844.06253999,2408456.41382684,1029483.04732975,2266574.21816778,1.13859332946985,0.000378212488030102,0.00238946957480035,0.449211772271166]
["NEG05822","N'-Nitrosoabasine",36.6551,190.095781972106,158828.9632049,329116.420915546,304129.180798997,79791.5087803771,433697.487723408,0,0,1408.84856424884,0,0,261112.712284646,281.769712849768,-9.85594043559283,0.00327848269103728,0.0139133330901421,0.188091143490634]
["POS04119","N-Nitrosodiphenylamine",232.814,199.085942341735,459997.963498232,389258.227010731,424258.740053821,431612.249576981,444971.899730642,1006289.14459632,1393977.64968184,806277.665240181,1399258.4608915,1076853.08220885,430019.815974081,1136531.20052374,1.4021622420951,0.000287383889513495,0.00195063450348083,0.334633175743542]
["NEG05950","N-Nitrosofolic acid",34.5228,469.11696296277,4196258.54491654,3737298.28437555,4643128.87635726,3825529.24159625,5141911.82328856,2186437.41996566,2091788.0930275,1849613.78438759,2282871.34917136,2048623.60816915,4308825.35410683,2091866.85094425,-1.04250359834816,{"v":3.86399443135492e-05,"d":"3.86E-05"},0.000414475949435265,0.606000499487167]
["POS03346","N-Nitrosoguvacoline",36.7429,171.075883757228,483399.164883138,472230.204574196,425228.286880214,507821.159770562,571462.928915926,1072221.73606788,1186332.64640015,1072983.71852944,1407544.82098882,1318583.70182784,492028.349004807,1211533.32476283,1.30002074222707,{"v":7.62470254751606e-06,"d":"7.62E-06"},0.000130172879752059,0.352073103963601]
["NEG05237","Nocardicin G",170.8105,384.117592173552,1353.40554587992,1845.57969510924,2377.53269827525,1518.08946120084,0,14352.6993701237,61708.8051759948,14857.4466230174,45763.1520797968,43970.1657300957,1418.92148009305,36130.4537958057,4.67034871378837,0.00584504255803598,0.0223651628418263,0.0695273678141957]
["POS05476","Norsanguinine",363.325,260.128037005873,796876.751074871,748622.321419229,1049178.5490888,927160.7265076,739081.8732651,440003.629890362,399276.849170254,330383.571624,306606.858089874,357480.44534791,852184.04427112,366750.27082448,-1.21636700845552,{"v":6.54446121094631e-05,"d":"6.54E-05"},0.000612413702856963,0.289969224386014]
["POS06054","norsertraline",165.342,292.072253216358,36264.4572678685,35695.9990790174,26269.7301106997,22771.2331219879,0,34415.6150682067,101443.802359154,62685.413026213,82660.8033495059,49279.8590390214,24200.2839159147,66097.0985684202,1.44956297066454,0.0150296491868259,0.0499462264581518,0.0729208019124166]
["NEG06062","Northiemycin",32.43015,257.065416869668,0,0,26314.971806236,12862.224178065,0,827245.108021358,1463035.78925313,1181112.48565505,1210494.39511454,870934.728285733,7835.4391968602,1110564.50126596,7.1470633274976,{"v":1.38481436304918e-05,"d":"1.38E-05"},0.000192368777823571,0.432031048791596]
["POS07274","Norverapamil",363.3245,441.279155884065,1452221.51942607,1555528.94487866,1857683.51593987,1639261.42221714,1448278.09913206,369224.781167361,307987.122213319,96534.6078724843,271862.192527892,295631.997032335,1590594.70031876,268248.140162678,-2.56792619561867,{"v":3.9434174953568e-07,"d":"3.94E-07"},{"v":2.55636325459869e-05,"d":"2.56E-05"},0.484204166712253]
["NEG04762","Novclobiocin 104",247.266,588.176795006171,0,0,0,0,0,43001.1454275429,122032.222140829,95508.5211499111,127169.494077482,79347.9626719539,1,93411.8690935438,16.5113182527657,0.00029199117486655,0.00197890382602739,0.122756625345535]
["NEG06667","N'-Phosphoguanidinoethyl methyl phosphate",25.3814,276.020029295789,323789.104373346,430590.251198146,315768.514274854,545015.635528426,463607.55380417,32962.9360601172,70717.8051460818,23504.3516985037,47808.0749465688,88929.0423829543,415754.211835788,52784.4420468452,-2.97754620881471,{"v":4.14388988078877e-05,"d":"4.14E-05"},0.000433075220485238,0.246589136084675]
["NEG05566","N-Succinyl-2-L-amino-6-oxoheptanedioate",46.0786,288.07628168712,14514.276854792,19186.600717971,13375.8687145312,13145.9574148948,11147.3885816988,81869.4894020976,110652.862369132,83006.3801098629,137810.755129919,117216.690160008,14274.0184567776,106111.235434204,2.89411397384862,{"v":2.69290603026889e-05,"d":"2.69E-05"},0.00031532378726159,0.124470006899218]
["POS02665","O-Carbamoyl-L-serine",32.1963,149.057082506224,2304520.17761361,2034637.68104564,2200486.68652643,2415196.09673255,2189161.59111287,5816502.09639746,7885018.66254963,6455954.33518602,6633724.72539393,6323161.80853605,2228800.44660622,6622872.32561262,1.57118959437871,{"v":1.49857701649546e-06,"d":"1.50E-06"},{"v":5.27805905101118e-05,"d":"5.28E-05"},0.869019204448251]
["NEG02467","Okadaic acid",524.81,803.471720781468,3974787.09391527,3202540.18334386,2278023.06614012,4041366.19286191,3273231.84746913,1399399.73684121,1108228.10202162,580269.615109775,857114.87325771,736553.134273704,3353989.67674606,936313.092300804,-1.84081531225188,0.000125688745575634,0.00103346646867612,0.635940072024285]
["NEG04736","Olanzapine",256.763,311.139969945731,1033.93331837417,0,908.661890006598,0,2099.4052672902,4893.49362957497,5895.5123433293,4631.67868529503,5871.98909320139,2113.74174834264,808.400095134194,4681.28309994867,2.53376261786173,0.00121529670472558,0.00618432555203358,0.0244077567022343]
["NEG00028","Oleic Acid ethyl ester",599.701,309.279633225488,16905773.5685967,15666711.742664,14322045.1239979,13134807.3353872,13657307.8415168,51993365.6036437,57256504.5261399,44462630.0640903,47445565.3112557,57206072.7930791,14737329.1224325,51672827.6596417,1.80993074819044,{"v":6.94631719064888e-07,"d":"6.95E-07"},{"v":3.24825488195938e-05,"d":"3.25E-05"},2.53061938897307]
["POS04822","Oltipraz",291.111,226.97411416206,0,0,0,0,0,45919.3269517208,286123.632665579,147385.022150081,277621.742632058,328174.460181375,1,217044.836916163,17.7276335784649,0.0032462019545364,0.0138025297933853,0.179058656733819]
["NEG03387","Ophiobolin A",438.877,399.249752432002,17002.6399077164,34521.1819894659,57888.8049461759,27324.8689080508,71975.5372709298,149637.379528621,155552.023365959,129940.081943194,153986.551228764,152075.691431323,41742.6066044678,148238.345499572,1.82832608744949,{"v":1.19181180969499e-05,"d":"1.19E-05"},0.000174786040156253,0.135460451018168]
["NEG06406","O-Phospho-L-serine",29.965,184.000661173661,176640.655331656,129225.761999701,85317.2627663514,248512.824971772,92750.4915610093,416807.355081841,604972.310630798,458520.397362397,362917.177820792,640405.242886411,146489.399326098,496724.496756448,1.76164962921573,0.00047136983254342,0.00283011712881439,0.233774909467565]
["NEG05483","Osaterone acetate",70.88775,405.155884265178,0,0,0,0,0,695559.218905625,2979181.39466366,2333565.54033015,1748050.77805935,1512406.53174054,1,1853752.69273987,20.8220173576478,0.00133186418562033,0.00667125252214977,0.53345876525714]
["POS07147","Oseltamivir phosphate",204.585,411.191897097049,3867.13039105105,7360.50133286891,0,0,0,1054120.46012464,1654876.25045038,1300350.45356595,2460727.16159245,1140020.51930374,2245.52634478399,1522018.96900743,9.40471697591671,0.000349039412128785,0.00225941141888865,0.492704311613609]
["NEG05631","Osthol",44.3112,243.103937789348,3011140.48246794,3605482.80997782,3675946.93081167,2996841.05996815,3032913.59336084,1234421.36448776,1866840.88920676,1313669.88324744,1051487.30060342,1627603.2450287,3264464.97531728,1418804.53651482,-1.20217071446938,{"v":2.36846693059922e-05,"d":"2.37E-05"},0.000289914752828848,0.557781718900399]
["NEG05716","O-Ureidohomoserine",37.5957,176.063361369423,2147481.09323795,2838807.19849312,2867540.89330993,3219093.94461416,4398962.76657223,555628.077161209,836827.219381982,584652.925436839,888720.337770721,1027397.28786308,3094377.17924548,778645.169522766,-1.99061111666881,0.000293975500610991,0.001989337994301,0.601991489993373]
["NEG06393","Oxaburimamide",30.1468,213.084844865541,57359.9098664345,37893.6522304494,80814.127649008,102488.700013938,58913.6472535596,517699.966732599,1035039.64377226,854952.787786488,975799.373976102,916570.918566458,67494.0074026779,860012.538166781,3.67152637284239,{"v":2.42529321990881e-05,"d":"2.43E-05"},0.000294782746910383,0.365714301467439]
["NEG04561","Oxidized Oplophorus luciferin",290.723,410.152429876937,0,0,0,0,0,28917.5718715029,58814.6475567568,17257.6157225806,44342.1922161251,65696.6028612852,1,43005.7260456501,15.3922411414033,0.00141472781520857,0.00699235084798669,0.0807713303704649]
["NEG05060","Oxynarcotine",192.249,430.157408438979,51298.3735740619,0,42416.9476789586,0,1039.62572098086,2018338.63264662,2741869.518872,2115266.40422471,3606120.52742535,2296791.81212693,18950.9893948003,2555677.37905912,7.07528874541598,{"v":2.32579793679326e-05,"d":"2.33E-05"},0.000287383816886084,0.65331450217181]
["POS07801","PA(10:0/i-20:0)",29.29595,621.456711232782,0,0,0,0,0,389125.904431988,610556.421449907,669299.283495174,481844.731334724,422155.59561566,1,514596.387265491,18.9730818030739,{"v":1.22903092770034e-05,"d":"1.23E-05"},0.000177911176038951,0.296659422713611]
["NEG01680","PA(18:0/22:4(7Z,10Z,13Z,16Z))",559.316,751.530373816369,60323.411610401,31158.1098661683,26617.2877959924,44350.897200914,28506.279123543,124170.588267931,142355.035567887,98081.8934512274,133151.769337433,58670.2407469062,38191.1971194037,111285.905474277,1.54295883709871,0.00209390182165207,0.00966565825412766,0.102724869546223]
["NEG02404","PA(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",527.215,795.494116802113,597366.811625347,440397.033495058,535293.722847509,759543.713376077,447838.047659357,337470.89820035,285360.707442241,143588.0297846,230716.111319384,182574.177657498,556087.86580067,235941.984880815,-1.23688069402345,0.001541050130333,0.00751703078841821,0.229197041239086]
["NEG01219","PA(22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",600.2065,833.618265384437,7818.62534445256,0,6270.28597399508,9617.26760663865,4217.14799290319,105594.418342271,102567.689856858,61547.7691353642,69048.4002082127,91689.5606974848,5584.6653835979,86089.5676480381,3.94629567567431,{"v":1.98642832083594e-05,"d":"1.99E-05"},0.000253266143812344,0.115599939372039]
["NEG02398","PA(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",527.223,793.487414135688,5709535.00886135,3846499.33621955,4693508.88579361,7121442.32541452,3940218.35041125,2899248.93472314,2466725.15324675,1483403.04384273,2107921.11364404,1638995.79977581,5062240.78134006,2119258.80904649,-1.25621634578893,0.00224858714899344,0.0101697980965092,0.690019613532226]
["NEG04562","Pantethine",290.723,553.226086069799,0,0,0,0,0,54633.1468040102,69091.068718156,28457.9543457628,51822.3963980915,86140.2490409613,1,58028.9630613964,15.8244855286794,0.000304328983513135,0.00204087487744266,0.0963069215151157]
["NEG05116","Pantothenol",189.0855,204.123193498863,53835.6000400354,63370.5183188547,113797.557715716,53005.5143739203,45553.8098244904,17770063.4166704,21684050.1820142,18012707.0755445,24839423.8401158,20440908.9154985,65912.6000546034,20549430.6859687,8.28432842821243,{"v":2.64988242741731e-07,"d":"2.65E-07"},{"v":1.85201939028713e-05,"d":"1.85E-05"},1.89044731211081]
["NEG05620","Pantothete",44.618,218.102595303626,80524.0065474001,127237.11177209,91771.655194675,101645.914624638,93925.7683238833,20924.4118685794,67290.8946885787,24772.0400611333,64369.8016787073,44714.4538191126,99020.8912925373,44414.3204232223,-1.15670801818905,0.00229218243322889,0.0103460464418091,0.0897823591173228]
["NEG05712","Paramethadione",37.657,156.06275509572,15100.1331027309,13979.8580066921,14080.9538831687,17261.0598918625,9468.40083211769,31875.6233265656,37896.5294409391,35549.4234578257,41081.3548562734,67348.8130806162,13978.0811433144,42750.348832444,1.61276986535283,0.00212289349557659,0.00974918132003499,0.0657437210509203]
["NEG05980","Patent blue",34.37435,565.135997900178,40709.219982325,165451.255588652,246941.41730149,113574.356590238,281323.196138402,264478.473429965,417693.891377172,328202.990475544,601281.091685642,414329.400709289,169599.889120221,405197.169535522,1.25648886966493,0.0110460125719685,0.0383906870508277,0.181081335367391]
["POS00271","PC(0:0/12:0)",363.584,440.275736112263,7124336.65490781,7082951.99828367,9399059.4463444,7137415.38291273,7100730.18126049,1862218.10327158,2109226.65994926,1012875.23259537,1868012.5825896,2019068.82621416,7568898.73274182,1774280.28092399,-2.09284947633941,{"v":2.70413786307936e-06,"d":"2.70E-06"},{"v":7.11506391856117e-05,"d":"7.12E-05"},1.00692104147786]
["POS00032","PC(14:0/0:0)",401.561,468.307033926924,6452420.87777088,7095605.79223897,8010929.34558986,6606564.77878876,5944885.96325321,4331158.82674591,2014833.52345931,1021814.49821156,1618769.63693804,1913057.41479695,6822081.35152834,2179926.78003035,-1.64593228062816,0.00011386815673769,0.000947408474222778,0.884276885798286]
["POS00251","PC(14:2(Z)l8,8/0:0)",377.492,466.291378867044,8136556.88783698,7219270.30846007,10400999.664814,9172464.1963014,7255399.55237535,1753600.80169167,1551886.68612234,760494.410358631,1128655.75504505,1598380.67663969,8436938.12195756,1358603.66597148,-2.63459486834591,{"v":3.69068668607041e-06,"d":"3.69E-06"},{"v":8.30204987349039e-05,"d":"8.30E-05"},1.11970554485145]
["POS08022","PC(15:0/22:0)",28.1853,804.646727351133,263013.224282796,154371.869857511,203890.422412797,246306.257053147,245649.946272412,52568.1164799413,66665.4361923631,22012.6740506798,44868.8230416253,44187.0138830781,222646.343975733,46060.4127295375,-2.27315467807938,{"v":2.99734718286959e-05,"d":"3.00E-05"},0.000343772665358351,0.174175916361114]
["POS08065","PC(o-22:0/22:3(10Z,13Z,16Z))",35.136,882.751197375196,700955.093413058,1064592.75101222,952410.407619744,1244401.32851482,689157.407902209,249491.18466856,0,0,0,0,930303.39769241,49898.236933712,-4.22064054926332,{"v":7.11990882792353e-05,"d":"7.12E-05"},0.00065038235609413,0.387551967658925]
["POS00225","PE(12:0/0:0)",361.714,398.228868892308,958579.71910894,1077578.61184546,1496758.50387449,1020743.20172507,1071943.9682511,526786.945488877,637907.541942497,171735.472906017,450629.359828949,574384.29643048,1125120.80096101,472288.723319364,-1.25233891348246,0.000807813772136599,0.00442270624573685,0.323008826644987]
["NEG02602","PE(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",517.908,756.464752498912,859505.561866199,662438.934747348,920156.332041142,1202914.78031514,843857.275883862,278182.787511177,200391.049011395,90003.2564871031,164551.3165763,132996.04587243,897774.576970738,173224.891091681,-2.37370699363586,{"v":5.36501855778424e-05,"d":"5.37E-05"},0.000532788114002933,0.355130842364847]
["NEG02545","PE(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",520.629,782.480841686139,1252108.2209393,877813.775357013,1072403.92697326,1626692.34601639,1010662.39045559,319439.006376726,220784.308669654,253365.500925839,616551.904977779,837569.154740619,1167936.13194831,449541.975138123,-1.37743364717506,0.00356174935360987,0.0148913343053053,0.33096023468163]
["NEG02295","PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",528.657,842.566387043535,190328.284055966,134519.501867691,185983.589224769,189852.772464141,97929.0601201732,0,0,7485.97864228939,4918.46944611874,13111.8137224172,159722.641546548,5103.25236216507,-4.96800804028206,{"v":3.65182217176526e-05,"d":"3.65E-05"},0.000400357857213382,0.164267372886571]
["NEG01894","PE(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",544.5825,840.548066685226,443093.5529947,276654.121679468,200174.327073913,305329.900591044,239134.969522759,42035.1389968619,72050.7809479206,60926.9230273403,0,42463.9529808362,292877.374372377,43495.3591905918,-2.75136336159304,0.000423720771541332,0.00262507342258224,0.200689145429139]
["NEG01780","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))",553.9565,772.52117194511,30777.510435604,10975.8281808126,25668.8582696943,40345.5361452175,14437.3868430484,253753.740153195,463814.706614228,330793.17589603,279914.816474797,184994.183741457,24441.0239748754,302654.124575941,3.63029337793939,0.000351596940131845,0.0022665451297003,0.209294458228217]
["NEG02029","PE(DiMe(11,3)/DiMe(11,3))",539.248,822.521648863842,3441493.1779559,2518176.89569242,2667131.14988551,4606675.37839953,2144444.51980831,1845284.60390713,1769706.96055755,1031097.15949656,1871052.3396897,1061952.51582605,3075584.22434833,1515818.7158954,-1.02076325950407,0.0114319333952192,0.0393346446744733,0.481162495730339]
["NEG02403","PE(DiMe(11,3)/DiMe(9,3))",527.216,794.49091759381,2504013.3225107,1728383.48341532,2026543.07619796,3200348.97143707,1740531.22124072,1232582.39437955,1110644.7508331,686688.749798351,917354.195701968,775291.377848779,2239964.01496035,944512.29371235,-1.24583407568578,0.00237109072041207,0.0106058887924032,0.456980391488828]
["NEG02108","PE(DiMe(11,3)/MonoMe(11,3))",533.363,808.506354371701,299490166.036703,243938762.364206,249858088.111144,358859594.888481,243122590.113702,120922700.52237,112085416.054922,73417838.9700484,95432398.0423873,80471263.6100664,279053840.302847,96465923.4399588,-1.53245219483481,{"v":6.80337880743363e-05,"d":"6.80E-05"},0.000632671796375273,5.62668129117436]
["NEG00565","PE(DiMe(11,3)/MonoMe(11,5))",674.694,836.537380432813,369944526.843108,290170406.300444,248171239.055966,415624806.691379,275102139.31896,152318866.459879,144559815.595561,108096590.254429,134264987.230923,101743743.637793,319802623.641971,128196800.635717,-1.31882151709957,0.000397037529626541,0.00249431021070157,5.64976348554411]
["NEG02540","PE(DiMe(9,3)/MonoMe(11,3))",520.804,780.475968081939,23735773.7715441,17563473.8782189,21357444.318059,31933241.9396712,20408338.8109634,9183842.63551268,5659936.44092874,3991641.16659902,4451491.25507264,5395537.01423812,22999654.5436913,5736489.70247024,-2.00337210012008,0.000165945057567348,0.00126866759366679,1.71915195370866]
["NEG04619","Pefloxacin",276.895,332.140259149233,0,0,0,0,0,85839.3698281763,109293.783460324,94403.4285212385,186478.153393115,100786.91813715,1,115360.330668001,16.8157876794645,0.000222529099865839,0.00159514849951907,0.136708183426997]
["NEG05896","Penicillin O",35.08,329.061766038477,0,0,43429.1447363941,0,0,129265.592588282,310380.024961391,223029.784241318,175561.572078981,232613.013294199,8685.82894727882,214169.997432834,4.62394903865886,0.000184761340422227,0.00137281972709073,0.182548967558557]
["NEG01217","PE-NMe(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))",600.3675,834.620712173489,0,0,0,3560.4036479723,0,59404.4616390859,29306.7354145758,14308.4317520329,24077.7812084483,48807.4344561804,712.08072959446,35180.9688940647,5.6266105945396,0.00318474489731111,0.0135929045092296,0.0703898654212253]
["NEG02700","PE-NMe2(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",511.943,812.529542318001,601478.753676369,464489.310290302,626942.50251179,651346.571150757,498700.502142727,3959.33893830136,14142.7441757485,2773.64971412601,2864.69883542971,2726.29782270495,568591.527954389,5293.34589726211,-6.74706886177863,{"v":3.32657976568734e-07,"d":"3.33E-07"},{"v":2.28919866029531e-05,"d":"2.29E-05"},0.317337330621067]
["NEG02139","PE-NMe2(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",531.523,784.498006883515,695744.089752486,484353.129506603,635998.621807558,769361.306348689,581907.038957023,238253.768564332,214551.149134406,90600.8039882668,114487.714955038,98099.1740455069,633472.837274472,151198.52213751,-2.06683872100477,{"v":3.19717851173574e-05,"d":"3.20E-05"},0.000362050113493518,0.290713144089128]
["NEG02106","PE-NMe2(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",533.364,810.511886973874,16658659.183413,14133555.4714973,13815025.389807,19997527.0553005,13683341.9138646,6837078.37270236,6113425.1432374,3825303.49117343,5364354.1893907,4434032.99581644,15657621.8027765,5314838.83846407,-1.55876725112992,{"v":5.36596903843282e-05,"d":"5.37E-05"},0.000532788114002933,1.33986475776327]
["POS08041","PE-NMe2(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",28.1853,848.624529141735,858733.47460987,643792.08470191,685630.484982948,717350.450319316,827138.850767511,264277.415840406,257990.26962807,200755.196998181,254075.307608247,280933.740571517,746529.069076311,251606.386129284,-1.56902989817714,{"v":3.21744087186289e-06,"d":"3.22E-06"},{"v":7.7650400468144e-05,"d":"7.77E-05"},0.291841509274431]
["NEG02288","PE-NMe2(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",528.754,840.560661005018,1883058.36615227,1591484.01398796,2080503.86003766,2085192.43225627,1593562.58843981,60776.4366114431,12636.9722936471,67491.683278391,58713.3274636512,30940.0112078024,1846760.25217479,46111.686170987,-5.32372035458095,{"v":2.02604360328624e-07,"d":"2.03E-07"},{"v":1.53601576906768e-05,"d":"1.54E-05"},0.567366484726491]
["NEG01884","PE-NMe2(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",545.132,838.543009482626,22759281.1003662,17507392.3474996,15025038.0695007,25191100.3482822,16759238.9557728,9280859.30840461,8891116.38747438,6606882.92397814,8269312.68760845,6228476.91137958,19448410.1642843,7855329.64376903,-1.30790850138336,0.000441054578408668,0.00270618797082551,1.3878323469945]
["NEG02099","PE-NMe2(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",534.1605,836.52943894985,15160484.527135,8237347.43611165,10601153.4545163,7375627.61654347,7494163.45161444,4013563.93796804,5310413.36075934,2232387.29495228,5596403.41997282,1903067.53247747,9773755.29718417,3811167.10922599,-1.35868011692083,0.00690062924233928,0.025572920133375,0.930095262266872]
["POS04676","Pentahomomethionine",30.3171,220.136503838112,632914.10126486,674556.34775367,519023.157164236,736807.867256899,505299.369664666,75923.7620431058,161791.822790006,106172.120151904,32953.2897368188,105145.56322882,613720.168620866,96397.3115901309,-2.67051617836099,{"v":6.0219052611962e-06,"d":"6.02E-06"},0.000110847663511648,0.299860849165045]
["NEG04676","Penthiopyrad",271.529,358.119599450125,1363.3595986797,2694.70552574403,878.732304792872,0,2309.58818384743,1077730.7404671,1539170.45016921,1169166.37986173,2431755.47749545,1461650.79431562,1449.27712261281,1535894.76846182,10.0495301728337,0.000210892164074377,0.00153136469140372,0.49884594869862]
["POS04832","Pentobarbital",45.81905,227.138212422562,1049615.96180883,1478988.45896228,1064075.15761118,830508.781854607,641298.166381194,117166.32083044,228692.903538519,78551.2138889237,120212.445491669,192287.059316457,1012897.30532362,147381.988613202,-2.78085578076745,0.000301553945492166,0.00203140180449768,0.372124975311402]
["NEG04361","Perindoprilat glucuronide",332.616,515.225824271368,436912.896128754,415874.427216058,618746.928277215,443077.93863097,528240.477336265,3593684.34495738,8077125.99930284,5967774.38671913,7787113.85862093,5820698.5993541,488570.533517852,6249279.43779088,3.67705109188064,{"v":9.8856266442495e-05,"d":"9.89E-05"},0.000843862747704733,0.974892836344138]
["NEG05944","Perlolyrine",34.563,263.076719369737,9357.07420285772,0,24152.9713315262,9910.28331062146,0,141348.687870639,160330.130561297,163753.23264091,105984.198700479,132046.911361087,8684.06576900108,140692.632226882,4.01803231718126,{"v":2.77159513937071e-06,"d":"2.77E-06"},{"v":7.24990939088022e-05,"d":"7.25E-05"},0.150251269850262]
["NEG02350","Perphezine",528.471,402.131587658428,289078332.160347,295868512.021791,282580404.347089,293724039.900652,277623320.941556,68716376.5470367,82685911.8168439,62150295.4375935,87932187.6471244,84970812.600757,287774921.874287,77291116.8098711,-1.89656635642532,{"v":5.22627180518587e-10,"d":"5.23E-10"},{"v":4.275445443808e-07,"d":"4.28E-07"},6.11124303027212]
["POS06755","Petunidin",165.329,353.03918951945,5861.59861470621,11517.0812708239,7774.63772074052,11405.1175948978,0,23142.2234553126,25993.6066948976,39895.3128575423,19056.8168078524,20954.7963346878,7311.68704023369,25808.5512300585,1.8195729320093,0.00251158605115492,0.0111011110739288,0.052287490263977]
["NEG00082","PG(16:0/0:0)",416.066,483.272487739917,296190.432639803,381882.594242609,337051.355643959,337388.739478365,297776.924487666,826549.077083198,887276.470078733,908887.707291903,1267745.89977488,1040667.42129355,330058.00929848,986225.315104453,1.57919767797754,{"v":3.69541580598149e-05,"d":"3.70E-05"},0.000402179924577986,0.332734421542661]
["NEG01782","PG(16:0/20:3(5Z,8Z,11Z))",553.792,771.517893329691,128030.550095628,133728.300078686,84455.3873462867,192957.698615118,113906.414210622,643679.029121266,1010070.33799537,887665.66533313,848449.907259671,580149.166214279,130615.670069268,794002.821184743,2.60381614486421,{"v":3.87749410815696e-05,"d":"3.88E-05"},0.000414928974779571,0.332345816968514]
["NEG00088","PG(18:1/11,12-EET)",533.276,811.514985265012,2569985.05415237,2036516.79576312,2064389.3906546,3142471.90675046,2102021.88046504,868749.407374353,907615.497816236,560974.098374626,774207.599552254,589150.156999164,2383077.00555712,740139.352023327,-1.68695674151201,{"v":8.38528303531432e-05,"d":"8.39E-05"},0.000739588752833096,0.532455675417239]
["NEG02492","PG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",523.8015,867.523721517599,291392.108813292,283567.298357277,247252.051692036,312518.590438237,240929.162043836,68077.6609008354,196792.49567737,75035.1869593754,135745.85798291,102050.2048479,275131.842268936,115540.281273678,-1.25172720710344,0.000372746150767437,0.00236160556994723,0.161963981941697]
["NEG02775","PGP(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",503.674,899.505532062875,24172.0547735043,31500.668908512,15304.3142195815,20708.3951053089,35665.39418261,128534.055509721,126906.210078492,59428.8847846366,123876.675534497,99918.2242703639,25470.1654379033,107732.810035542,2.08057745410698,0.000313081279106808,0.00209486172592341,0.114567266261829]
["NEG05700","Phecemide",37.7829,177.064116393389,165378.224601764,231333.29149699,237708.661093415,344095.797861323,495050.60487151,71275.7009014036,65543.6854438451,59274.252604159,82054.656701303,80974.4673398737,294713.315985,71824.5525981169,-2.0367632407802,0.00486186076399278,0.0191435767582216,0.175498519081833]
["NEG05800","Phellamurin",36.8593,517.176755349539,369381.078042777,341041.522523381,273494.549867759,716875.846467385,380301.7442206,49720.9749931996,83432.3244148739,12847.2849762619,5994.56160830042,44232.9387723713,416218.94822438,39245.6169530014,-3.40673920037942,0.00137012589727727,0.00681710026531839,0.24532963486102]
["POS03895","Phensuximide",301.9275,190.085160070239,13233940.6285128,12607151.1900666,12060633.6074148,12721424.788684,10260794.1965268,751402.587232592,1561890.5105779,1383509.43126064,1137739.59567306,1298367.34006742,12176788.882241,1226581.89296232,-3.31141826902366,{"v":3.24852697345557e-08,"d":"3.25E-08"},{"v":6.31767876185511e-06,"d":"6.32E-06"},1.39460835050507]
["NEG05177","Phenylacetaldehyde",179.304,119.04867735745,565651.410347009,130411.566411412,51278.3109748566,451556.763798628,18781418.6053829,18408679.9730351,18918204.5558688,18613884.9134942,18582985.8420435,18715134.5975982,3996063.33138296,18647777.976408,2.22235237981636,0.00416829366494616,0.0168517469684309,1.49871592751462]
["NEG05029","Phenylacetylglutamine",192.29,263.103502386917,4329.69393143385,2830.93508055125,4540.38634214605,0,3309.71080431808,458421.144719782,573963.050800035,522522.796921857,699550.56706933,464524.218868712,3002.14523168985,543796.355675943,7.50092890233605,{"v":1.87345868765495e-06,"d":"1.87E-06"},{"v":5.88457945985531e-05,"d":"5.88E-05"},0.305665353540087]
["NEG04360","Phezocine",333.099,320.207559260565,0,6614.75936083367,9707.63775781959,3697.15819082976,20714.1895940813,26817.6069625017,46070.488250131,55438.1997976224,40048.7882707446,47999.2725157027,8146.74898071286,43274.8711593405,2.4092331629413,0.000360458396247303,0.00229676696070397,0.0764646946700214]
["NEG02956","Philanthotoxin 343",484.119,434.311853835542,40477.5371208303,110655.989994868,48390.7967094135,46683.6911802929,63462.5572672946,80354.0765271107,180455.326189682,114890.634228752,127426.52370302,148173.789876566,61934.1144545399,130260.070105026,1.07258871166111,0.0116631685869872,0.0400031980886191,0.0978490060081426]
["NEG06058","Phloretin",32.4557,273.079249128759,0,0,0,0,29748.8870743352,84419.4260203215,443768.473062071,469014.858087712,324295.747063809,347853.409467174,5949.77741486704,333870.382740217,5.81030861177646,0.00136530848389517,0.00681710026531839,0.226239028843302]
["POS01808","Phosphonoacetaldehyde",31.7541,124.99905051839,3132052.61367381,3227461.05582333,3072013.71587876,3078658.53790857,2466352.32088451,1340362.71713854,1771170.58717731,1143003.15953193,1488747.58833507,1499404.20161268,2995307.6488338,1448537.65075911,-1.04810700621803,{"v":1.71648476292082e-05,"d":"1.72E-05"},0.000226484847921677,0.517761284580278]
["NEG06629","Phosphophosphite",25.8849,274.025003553979,402259.852217956,615107.562228073,347403.121280025,433403.684512208,382989.024730202,12953.8599726195,162696.289619315,100004.92538967,52807.5981181697,154911.253487926,436232.648993693,96674.78531754,-2.17388618907568,0.000268134373804038,0.00183669992959489,0.231338569942643]
["NEG05022","Phrymarolin I",192.464,487.112498103104,0,1920.77688042903,972.433122115578,0,0,481571.655816807,449178.557096766,503102.478773508,522037.244585999,517423.532958823,578.642000508922,494662.693846381,9.73955833947501,{"v":3.17646898656693e-10,"d":"3.18E-10"},{"v":4.275445443808e-07,"d":"4.28E-07"},0.296225140693652]
["NEG04299","Physagulin C",344.6135,541.241527520882,185654.197072876,147783.177167056,245361.765519279,199850.865591899,159218.854326179,64085.2614134715,42169.4576495447,13452.0750970094,23464.742037861,52433.9866532751,187573.771935458,39121.1045702323,-2.26143910284963,{"v":6.19952600805753e-05,"d":"6.20E-05"},0.000588757533631451,0.160223158017564]
["NEG01904","PI(16:0/16:0)",544.0505,809.517128689426,87729595.7843007,72726730.57305,73841574.6849287,107557257.517421,71039876.6081909,34806248.5879648,33140496.8680964,21540216.3311673,27819784.5290942,23519901.3893003,82579007.0335783,28165329.5411246,-1.55185471946166,{"v":7.87324691594768e-05,"d":"7.87E-05"},0.000704340669100679,3.06906472256635]
["NEG02107","PI(16:0/16:1(9Z))",533.363,807.502992526681,637731791.016203,527901424.09445,541223501.565642,778977540.517451,520768234.064846,262599423.951228,238458632.095581,159018088.002509,205466010.969315,174239149.3609,601320498.251718,207956260.875907,-1.53185401859403,{"v":7.2990895703203e-05,"d":"7.30E-05"},0.00066090744226807,8.25649232808125]
["NEG02502","PI(16:0/16:2(9Z,12Z))",522.999,805.48727252724,62843925.4742926,49493576.4800313,58840929.3744134,81587816.0272398,53064118.5915971,38991278.9531188,23631454.7510828,14771547.3102718,20530643.0383061,21216722.9123156,61166073.1895148,23828329.393019,-1.36005385168517,0.000647442666931456,0.00367001441790833,2.49656858157506]
["NEG01883","PI(16:0/18:0)",545.132,837.540348954106,107734381.210068,82645973.659558,71343348.5024521,119282712.686916,78368846.5914796,44256592.8430276,41944701.7167754,31225667.3403972,38938573.6164801,30287328.5812097,91875052.5300947,37330572.819578,-1.29931552343766,0.000470182779339194,0.00283011712881439,3.00929703486396]
["NEG05931","Piceid",34.7428,389.119167799685,7843288.1960913,6008158.84200885,5827490.995358,8258880.13630314,7376253.42617443,1917295.18548384,1764837.78433634,1417122.77199202,1506518.7544147,1747296.98602061,7062814.31918714,1670614.2964495,-2.07986447944952,{"v":4.61361635084088e-06,"d":"4.61E-06"},{"v":9.51000273608813e-05,"d":"9.51E-05"},0.968845356938537]
["NEG03531","Pimelea factor P2",425.4775,637.343993639761,30212.5813781214,38663.0804711544,44266.8852933775,32711.0117231589,47905.7281636293,65012.4822639848,96065.3581515877,51209.0046239632,99474.3799442614,107376.021771351,38751.8574058883,83827.4493510296,1.11315727117544,0.00417432050995336,0.0168517469684309,0.0810644665651005]
["NEG05834","Pinocembrin 7-rhamnosylglucoside",36.5832,563.182449899912,2672656.00417177,2708764.37882821,2752593.04611639,2711632.55123155,2429287.39399974,1079116.47535766,1258888.61790759,806846.444655417,1474322.29804879,1166281.88519451,2654986.67486953,1157091.14423279,-1.1982021100823,{"v":2.01794882742477e-06,"d":"2.02E-06"},{"v":6.00866460168109e-05,"d":"6.01E-05"},0.512721674828373]
["NEG04982","Pinolidoxin",196.2625,337.161453668268,35498.1114251748,34058.4700483214,24861.6656806888,26109.5510529144,29858.6657518133,56246.7047873789,94034.3856924224,50666.6261400179,65284.3525339788,55801.5859198116,30077.2927917825,64406.7310147219,1.09853675107995,0.00274553115924638,0.0119812301222527,0.0708606049347915]
["NEG02197","PIP(16:0/22:2(13Z,16Z))",529.843,969.555659223189,363156.634230574,374276.665404095,298633.294069768,456657.492791673,233986.613452587,15155.4173126693,22636.8527705998,14582.6910067259,7592.93810050993,0,345342.139989739,11993.579838101,-4.84769214510383,{"v":2.10878847178278e-05,"d":"2.11E-05"},0.000264218790876312,0.240669464070517]
["NEG02506","PIP(16:1(9Z)/18:0)",522.932,887.48981101803,671868.377962164,506834.370111047,513481.635177547,894971.358171111,529846.134767793,401464.897649066,251363.414108663,130724.100157004,189327.774755694,220502.703880988,623400.375237932,238676.578110283,-1.38510202501839,0.00222985891496477,0.0101157798444599,0.247757813321176]
["NEG02579","PIP(18:2(9Z,12Z)/20:1(11Z))",518.552,967.540710041158,62002.4073003703,71369.678066418,41402.415278673,74114.723523874,24316.1100338959,0,0,0,0,0,54641.0668406462,1,-15.7376980313818,0.000430612763721924,0.00264942351049266,0.0946092361727663]
["POS07567","Piperacillin",178.5865,518.171364329507,0,0,0,0,0,547531.807748081,525557.980813108,346849.079188695,540876.262338245,638528.878078043,1,519868.801633234,18.9877880532384,{"v":4.35708908683608e-06,"d":"4.36E-06"},{"v":9.28514258245561e-05,"d":"9.29E-05"},0.298185632334497]
["POS04956","Piperazine adipate",188.4395,233.148722457183,18940.4145181147,28602.6190938083,30420.2357554284,35806.3382075776,33698.1345743678,363876.978959245,474288.473731032,373322.848856463,507477.657053929,549307.634603647,29493.5484298594,453654.718640863,3.94312335328167,{"v":2.94177838937716e-06,"d":"2.94E-06"},{"v":7.43422301451075e-05,"d":"7.43E-05"},0.270650489512274]
["POS00047","Piperidine",94.09635,86.0967497049654,2128930.08571163,1146215.63622829,1171084.53540707,1044302.44581168,939728.668977614,2555125.00932307,6090828.08485275,2557120.87819045,3916653.86989133,5678608.96953646,1286052.27442726,4159667.36235881,1.69351887908183,0.00617144648127065,0.0233346408374671,0.632070315922465]
["POS05114","Pirbuterol",38.3844,241.153789971259,7661658.88458349,8077285.0811937,7580287.52065344,15009119.4577068,7281960.82638032,2317844.24835331,3314859.27417763,2046881.67925625,2510161.9314047,3193833.3565673,9122062.35410355,2676716.09795184,-1.76889590209464,0.00260521061659219,0.0114481088184349,1.00599209342896]
["POS06576","Pirimiphos-ethyl",229.964,334.138520441424,0,0,0,0,0,1377930.61628655,1506238.4260629,982903.216211118,1279281.01005616,1520275.97264121,1,1333325.84825159,20.3465979695625,{"v":8.26983812995362e-07,"d":"8.27E-07"},{"v":3.53422839049426e-05,"d":"3.53E-05"},0.479884803566444]
["NEG02460","Pittoside A",524.894,767.470959704657,213767.293360838,114271.084675349,192075.068182043,248095.784318377,164556.595131898,123492.394898386,108650.502761722,48062.3748131041,91276.7263556227,75167.5409759053,186553.165133701,89329.907960948,-1.06237165708307,0.00593332848819447,0.0226448620543463,0.122732105257727]
["NEG05469","Pivampicillin",81.2716,462.17735468208,0,905.051387621561,0,0,0,85069.4140179683,352803.642073747,202298.813063845,170701.310954816,239690.932687255,181.010277524312,210112.822559526,10.1808768787878,0.00138066946912193,0.00684671234521329,0.179085978036128]
["NEG02538","Polypodoside C",520.8855,751.440563616495,3151681.57355644,2364701.52895442,3633355.1776864,4060526.35686124,3171813.80366789,1231392.20276206,640639.191074678,286663.919709124,503405.473455161,558151.465123933,3276415.68814528,644050.450424991,-2.34687279884355,{"v":3.90850442767399e-05,"d":"3.91E-05"},0.0004172491719567,0.677439396562939]
["POS03526","Polyvidone",28.55465,178.058083718384,260421.342389985,289694.932475744,195879.742756449,251785.53432115,199699.97641471,890958.641094348,1388636.66295389,1115432.59631601,1318931.04391597,1180542.80345163,239496.305671608,1178900.34954637,2.29936646781337,{"v":5.4919899312641e-06,"d":"5.49E-06"},0.000104981499839933,0.401424820538591]
["NEG06489","Portulacaxanthin II",28.1106,373.101296259382,4652948.94672916,5547759.52564754,4452729.36155157,4922707.94023543,5968402.13141068,692775.034535788,1000727.29186355,990057.030356462,935027.850834497,1084467.23195783,5108909.58111488,940610.887909625,-2.44134546563081,{"v":5.4944781541971e-07,"d":"5.49E-07"},{"v":2.85776753299112e-05,"d":"2.86E-05"},0.842452723630697]
["NEG05967","Pradimicin C",34.50465,825.248842366818,1605736.06830479,1933621.61923041,2051648.30460652,1592788.66382478,2094256.64016265,351375.742567902,502328.162212722,228444.186727764,544319.241396716,443370.978241129,1855610.25922583,413967.662229247,-2.16430374891655,{"v":2.38897145670402e-06,"d":"2.39E-06"},{"v":6.51577397916895e-05,"d":"6.52E-05"},0.495347103388591]
["POS06908","Prasugrel",37.2843,374.129314338936,15187.774107509,0,0,0,0,371260.632081573,514461.581764722,300706.68022271,193868.919584131,494361.568178209,3037.5548215018,374931.876366269,6.94757423065516,0.000262657197725166,0.0018096913182677,0.24430071708989]
["POS07839","Prednimustine",495.8295,646.27578609111,0,0,0,0,0,33396.1572424891,103226.984323217,57950.8724799363,169448.807727837,99648.8649428064,1,92734.3373432572,16.5008160133546,0.00397479343541579,0.0161923962082102,0.115980671527647]
["NEG05853","Prenyl caffeate",36.3959,247.093051161345,74671.6317943108,61040.3131839835,40089.8538568488,0,44082.9990551493,219545.633223559,266286.651126957,265559.004400474,288074.244683551,272319.441342394,43976.9595780585,262356.994955387,2.57671148601478,{"v":1.29197813164838e-06,"d":"1.29E-06"},{"v":4.89747303632476e-05,"d":"4.90E-05"},0.196085825906017]
["POS00326","Pro Pro Pro",175.229,310.174912355546,487156.83549668,293273.31853735,551159.97855164,652255.892396226,402853.345605158,1354422.29291821,1568644.03760064,1191712.54242006,2464388.06879641,1761685.2597774,477339.874117411,1668170.44030254,1.80517793869501,0.000834300890669369,0.00452342773813829,0.426602518775363]
["POS05683","Procaine hydrochloride",377.4905,273.135799577877,606212.956017228,517185.984753035,772061.347726929,586218.525652449,513928.506145247,65379.43203731,59465.3585783674,23526.0875250745,34719.1427418455,90148.8889163575,599121.464058978,54647.781959791,-3.45461367406461,{"v":3.50437801257492e-06,"d":"3.50E-06"},{"v":8.03850402576802e-05,"d":"8.04E-05"},0.309416115289245]
["NEG04306","Propyl cinmate",342.221,189.091022256494,3251327.16993557,5396445.22606376,5335825.69477525,2604263.25679115,6243472.68868504,232278.440435344,241163.313140715,208272.2892468,251312.420208442,223488.401111995,4566266.80725015,231302.972828659,-4.30315944529651,0.000250285320928865,0.00173839478340809,0.817694906101183]
["POS05318","Prosulfocarb",363.32,252.13917746993,69855.2558283466,85194.7980012027,192736.340072922,135631.420924214,130251.527163118,22158.8264994393,0,11783.2412121119,0,12468.3987886995,122733.868397961,9282.09330005014,-3.72493940625901,0.000867821210952787,0.00465439361701656,0.134521762152059]
["POS07179","Prosulfuron",34.9518,420.089221133889,273860.814343759,55273.4279940723,306276.563537349,131543.194793185,741281.741077135,1115844.11457523,1289960.35486921,1302171.52782785,1152982.16303226,1252805.698896,301647.1483491,1222752.77184011,2.01919888622092,{"v":7.78244228723306e-05,"d":"7.78E-05"},0.000698602760757724,0.395709434249489]
["NEG04867","Prothoate",215.1805,284.053795681117,0,0,0,0,0,41486.3850602655,64041.9045259011,68134.3121810702,111199.560710976,17701.2782665443,1,60512.6881489514,15.8849500543391,0.00459554225046624,0.0182881321052807,0.0930642936314342]
["NEG03420","Protoverine",432.199,524.298887584642,2533315.31344554,2632313.86107887,3219047.76505319,2961463.77959832,2525502.52294969,838225.378613386,1176031.0225202,584669.749975152,1002160.68332527,1064916.51947531,2774328.64842512,933200.670781864,-1.57187945075524,{"v":4.86754615524331e-06,"d":"4.87E-06"},{"v":9.89660634200151e-05,"d":"9.90E-05"},0.568919259703649]
["POS07965","Prunin 4'',6''-di-O-gallate",35.204,739.15195288089,1152977.66168948,1348185.42782513,1166009.58597372,1453446.11373837,928791.635612461,549417.173443818,85171.0240304051,241023.249003706,338199.084178142,134883.307080298,1209882.08496783,269738.767547274,-2.16523165996468,{"v":5.7752258394479e-05,"d":"5.78E-05"},0.000562491620264926,0.4005404922334]
["NEG02418","PS(14:0/14:0)",526.682,678.435275682351,955248.155271304,625741.443247125,928654.825282254,760372.998188016,875862.540868773,128235.772711687,140116.587560103,44176.3474497327,55108.736792768,19616.7890049773,829175.992571494,77450.8467038536,-3.42032543022304,{"v":2.97489887853215e-06,"d":"2.97E-06"},{"v":7.44536523558416e-05,"d":"7.45E-05"},0.362283604982052]
["NEG02193","PS(14:0/16:1(9Z))",529.889,704.451272905517,2456313.30248084,1441883.52886494,2252958.91849673,1860158.01628009,1597751.85968556,1085464.51516061,509212.791623065,256382.980715973,218550.388078664,341350.311417965,1921813.12516163,482192.197399255,-1.99478784572098,0.000413180707445702,0.00257522906465475,0.489546858717184]
["NEG02799","PS(14:0/18:3(9Z,12Z,15Z))",501.541,728.433389697435,56799.1266276133,17159.9830552309,40306.8913557024,58693.0339742113,39212.1408244045,0,0,0,2636.12751366822,0,42434.2351674325,527.225502733644,-6.33066470691913,0.000525153854529419,0.00309487903993424,0.0834165123514722]
["NEG02597","PS(14:0/20:4(5Z,8Z,11Z,14Z))",517.943,754.459475510236,19236185.2074892,13765961.3051188,18830691.3013957,25222230.6651139,18014526.6390747,6791374.54491043,4925674.67186336,2925435.68297394,4139348.85974792,3632604.24171759,19013919.0236385,4482887.60024265,-2.08455568926617,{"v":7.22086543766834e-05,"d":"7.22E-05"},0.000656482339485579,1.58719137703521]
["NEG02501","PS(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",523.2765,778.45948567057,832462.360584948,588288.48588737,698033.34093441,1037876.10081902,551630.477693454,305943.141682578,149875.369166594,75238.7632564236,91716.8791462398,236952.563091847,741658.15318384,171945.343268736,-2.10880432524063,0.000426442669003344,0.00263660212219832,0.309828502150267]
["NEG02754","PS(14:1(9Z)/14:0)",506.315,676.419314328905,327474.235772346,211722.887228645,414774.957684741,338895.124028309,264706.535184363,184847.843962444,133232.806045349,36444.2541047347,102400.017203499,74522.2951057819,311514.747979681,106289.443284362,-1.55130215122596,0.00136193871439591,0.00681426383612183,0.183136120007168]
["NEG02805","PS(14:1(9Z)/18:3(9Z,12Z,15Z))",500.702,726.427994819,1392709.92578953,1188255.67798922,1823114.51293779,1745866.34806222,1448197.44991655,595456.730750846,378532.032541468,223025.054392663,343594.30579145,280845.492794378,1519628.78293906,364290.723254161,-2.06055678102424,{"v":2.44038460314972e-05,"d":"2.44E-05"},0.000295022711618613,0.449512012914116]
["NEG02970","PS(14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",483.054,724.412456234709,51930.7061033805,27754.3776556626,92814.1105666818,80720.440532995,67041.6371063027,16634.556751149,11914.1565470426,0,2055.57375659529,3574.87907983965,64052.2543930045,6835.83322692531,-3.22806024349414,0.00126765663678537,0.00643612728302041,0.096186559559463]
["NEG02188","PS(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",530.148,752.447550362453,1545310.95335528,881130.729513282,1578790.73807584,1506835.54393169,1106536.23606675,567226.46047573,279846.662641064,119792.533386562,198628.160577505,206738.785161877,1323720.84018857,274446.520448548,-2.27000195048206,0.000175510477034576,0.00133060739622993,0.424322416417804]
["NEG01976","PS(15:0/18:2(9Z,12Z))",542.1825,744.489867230581,372783.566741427,546482.606472053,410696.3540953,285684.263894451,185427.020190642,1264758.61840769,1670908.90151779,1359470.38992537,1097901.13301137,824658.177112831,360214.762278775,1243539.44399501,1.78752305739291,0.000413372338122537,0.00257522906465475,0.373191418896135]
["NEG02140","PS(16:0/20:4(5Z,8Z,11Z,14Z))",531.4925,782.490732707582,14907332.2532276,11877605.098148,13778475.2012417,17462071.51487,13019017.8383792,6912818.43810631,5675713.55631141,3942804.98771159,4799497.35295014,4179321.398697,14208900.3811733,5102031.14675529,-1.47765129813171,{"v":3.30903118771619e-05,"d":"3.31E-05"},0.000371891871925993,1.26293942366336]
["NEG02505","PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",522.937,806.490611302573,28833901.306349,22368112.9866914,25736268.8941888,37112117.767632,23980898.3672874,17865789.0090926,11068010.5912981,6821239.07897065,9347134.68572769,9907264.99912171,27606259.8644297,11001887.6728422,-1.32724436424564,0.000829520012893424,0.0045084362304645,1.65844402636929]
["NEG02468","PS(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",524.81,804.474836623735,1823596.13640307,1451094.96412591,1020664.29527809,1831658.61017748,1506651.49895088,589724.547911796,468677.986490812,286995.143286367,366100.863737783,332368.710324578,1526733.10098709,408773.450350267,-1.90107447440804,0.000106597592278313,0.000896261335076868,0.432516322733926]
["NEG01907","PS(18:0/20:4(5Z,8Z,11Z,14Z))",543.814,810.52152892916,1717094.99568805,1332953.5646965,1499734.89545706,1881490.35110059,1074164.39043397,588875.158992938,453928.320986804,342415.930223192,435934.214245182,271454.710628743,1501087.63947523,418521.667015372,-1.84263399104389,{"v":9.81451569567056e-05,"d":"9.81E-05"},0.000840404984714013,0.433473361263071]
["NEG02091","PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",535.5035,832.506251465775,3751162.19775958,3342002.45853336,1793281.38307178,4228288.97249127,2952945.77168422,1502038.289547,1335953.99085406,703370.848017832,1553666.56235272,762625.777661136,3213536.15670804,1171531.09368655,-1.45576645939567,0.00195993777343234,0.00917989702676741,0.561385640608181]
["POS06586","Pseudaminic acid",230.272,335.141870738838,0,0,0,0,0,150006.568014979,174021.482925681,85110.1850865504,127598.514961021,200477.98250352,1,147442.94669835,17.1697972835662,{"v":7.17026472858367e-05,"d":"7.17E-05"},0.000653209656434924,0.155887755406401]
["NEG05191","Psicofuranine",177.278,296.099659458891,4898460.33573836,4862328.42879235,4363187.20974788,4779630.14091339,3945145.13341219,1149620.12478991,1716744.0086779,1143070.04272469,1352106.8028815,1755873.39504423,4569750.24972083,1423482.87482365,-1.68269018303788,{"v":6.97143904914152e-07,"d":"6.97E-07"},{"v":3.24825488195938e-05,"d":"3.25E-05"},0.743413947998943]
["NEG04291","Psilocybin",349.0955,283.087394601013,56434.817461715,21595.540894257,20783.9406037696,66549.327564703,39946.4499421778,153720.722678108,160841.45711358,102025.567105038,345957.931526331,243853.142703885,41062.0152933245,201279.764225388,2.29332579668837,0.00633275470799476,0.0238186963282949,0.149222720956907]
["NEG04159","Pteleatine",370.982,289.134492666064,2221.33597974008,0,791.174114732402,0,0,305989.027914969,367373.157487798,289035.794875185,558479.765799979,357614.022454328,602.502018894496,375698.353706452,9.28439300322301,{"v":5.20802858279114e-05,"d":"5.21E-05"},0.000525858055323358,0.249905323383972]
["NEG04305","Pteroic acid",342.514,311.082499600472,0,1024.60675483525,0,0,0,25935.2466252434,55548.7658988125,40210.1567128917,49645.6151583465,53487.4311187464,204.92135096705,44965.4431028081,7.77760256722597,{"v":3.57075317281155e-05,"d":"3.57E-05"},0.000393398496108031,0.0868690795990864]
["POS00660","Putrescine",25.2399,89.1076078377768,275849.281306988,313873.956967186,368383.099231854,205067.504984735,275615.873542928,1732680.2478725,2783190.72736791,3427262.708044,1193195.74319582,2343196.63196252,287757.943206738,2295905.21168855,2.99613542255135,0.000898363488242958,0.00479520272423717,0.562832548883276]
["NEG04864","Pymetrozine",215.762,216.085129435832,24912.7619344017,23896.8506577909,40951.3817423593,20803.6133906529,28969.8599005672,95634.6690915418,119872.347106349,99831.8405384955,156893.615552176,86570.0118829762,27906.8935251544,111760.496834308,2.00171689554009,0.000199555741705415,0.00146570251666391,0.116372193298362]
["NEG05168","Pyraclonil",180.906,313.098394476553,181966.740594958,148339.184141503,108927.743789715,240997.242513497,124136.848898465,37415.1781392197,17196.7406438638,29150.5254966576,50732.9671888594,12659.1737261267,160873.551987628,29430.9170389454,-2.45052276182507,0.000676032187301588,0.00378933831303258,0.146546232210999]
["NEG05770","Pyraclostrobin",37.0285,386.093751514793,0,4756.50751681936,6320.79606607417,0,0,266554.922329824,542188.853767711,305614.793059503,99523.7842043464,508128.481085729,2215.46071657871,344402.166889423,7.28034366368555,0.00304445113853567,0.0130689346858638,0.22422793091192]
["POS06847","Pyridaben",36.5037,365.14640367562,48723954.9067309,64552500.0568667,58005470.0958255,53365908.5841134,62212031.3193979,28320628.0964157,721960.154593462,25721951.131482,540166.828506592,759910.663503736,57371972.9925869,11212923.3749003,-2.35518367327202,0.000184327316334055,0.00137187368712517,2.71660935933643]
["POS06639","Pyridafenthion",186.515,341.073926599227,139074.574188249,199291.573688783,111678.071491134,176096.094461262,112633.682808728,14368.8710244875,27204.8726706716,0,18645.0199814946,37986.5086606466,147754.799327631,19641.0544674601,-2.91126070167832,0.000123471449166744,0.00101710458954483,0.14528735595967]
["POS05266","Pyridoxamine phosphate",205.8065,249.06011344149,144170.768651538,29603.6212084895,61339.9230428438,111888.323863091,115154.423479061,2057380.12094195,2782781.0223019,1616242.35216678,2201105.79139665,2530244.93077831,92431.4120490047,2237550.84351712,4.59739343173924,{"v":5.29046923745923e-06,"d":"5.29E-06"},0.000102888125648501,0.604227953636263]
["NEG04515","Pyridoxine phosphate",298.565,248.034999034639,0,0,0,0,0,81939.4738792993,82835.672757948,54080.1471138638,113272.093943609,90735.8369204551,1,84572.644923035,16.3679034776974,{"v":1.99295795235513e-05,"d":"1.99E-05"},0.000253266143812344,0.119273391568401]
["POS05478","Pyrithiamine",185.942,260.159554606533,8576.85785197308,18456.0927983772,8822.58973936559,8746.37000402343,18609.3492420851,158313.617348461,198560.304878214,191752.99067012,260249.869877646,215943.523817615,12642.2519271649,204964.061318411,4.01904559322069,{"v":3.15021082700935e-06,"d":"3.15E-06"},{"v":7.69994154601793e-05,"d":"7.70E-05"},0.182792118856907]
["POS00243","Pyroglutamic acid",45.00015,130.049568788298,7458450.98689153,7071433.16482162,7814556.49062145,6784402.00108403,8296274.19264908,15327434.9021822,20206256.7558403,15564931.5701575,18796055.9044904,20582642.9175682,7485023.36721354,18095464.4100477,1.27354940885398,{"v":1.58161532050112e-05,"d":"1.58E-05"},0.000212449409267313,1.34433936949293]
["NEG04362","Pyronaridine",332.616,516.229176348647,138883.61946502,227206.211027647,240259.578632094,230801.031920873,160443.110290328,671063.474759313,1556608.11901602,1053325.46923049,1596824.9698471,1050572.12554352,199518.710267192,1185678.83167929,2.57111732621708,0.000498550230765592,0.0029575798172606,0.394345360861094]
["POS06237","Quercetin",28.7188,303.043164172399,6483.89020827896,21444.2172456504,10385.2539981906,10320.5705979739,0,505343.541927204,1995248.59924509,1708338.48381453,1777712.94531069,1269506.19569646,9726.78641001877,1451229.95319879,7.22109718489987,0.000605136334718694,0.00347467885134367,0.478141180014293]
["NEG06482","Quicetol sulfate",28.2146,471.077567403024,346117.682126557,367947.376546691,274220.481875427,276100.383378547,398841.355706357,0,0,28050.5551293767,0,0,332645.455926716,5610.11102587534,-5.88981219331502,{"v":1.30688640590311e-06,"d":"1.31E-06"},{"v":4.91235537277697e-05,"d":"4.91E-05"},0.234786171779853]
["POS04704","Quinmerac",30.0573,222.028449807446,2281304.43842499,2440084.34296903,2218571.75949455,2495626.1550238,2096898.60406715,382298.575150129,449173.174547952,316473.800682965,264670.203159938,265527.868983998,2306497.0599959,335628.724504996,-2.78076535542782,{"v":8.70727981910801e-09,"d":"8.71E-09"},{"v":2.7053004488474e-06,"d":"2.71E-06"},0.59196571791709]
["NEG06477","Quinolite",28.3239,166.013247880393,34198.8332002836,55008.2233761112,14158.3328212066,30275.6491823188,27587.3398048918,359889.158839858,642895.305442469,598470.928603112,686780.818585399,413447.547750716,32245.6756769624,540296.751844311,4.06657440354361,{"v":5.24397687840553e-05,"d":"5.24E-05"},0.000527108057912538,0.291708826169766]
["NEG02020","Randilongin",540.308,611.52562034548,483569.440893853,673656.517346795,255291.52256406,545606.8136861,535674.6300918,1309335.15390139,1480895.96392081,1089267.75130412,1769321.73386909,1706126.64864803,498759.784916522,1470989.45032869,1.56036984964973,0.00013905473998228,0.00111069973560846,0.40119760957323]
["NEG05259","rciclasine",166.736,306.057649958451,6173591.81022763,10670542.4216728,7689104.81705973,4122928.26907064,9332240.24605281,1478775.905135,3011622.60265576,1137560.7507634,2458304.83810776,2690147.6931102,7597681.51281672,2155282.35795442,-1.81768235150916,0.00198423951229169,0.00925415930635999,0.874531239409677]
["NEG05733","Reduced haloperidol",37.4042,376.141572833493,1450955.73497233,1075911.09377615,1011580.11039353,507507.473823323,1143576.34571179,17200.6206013834,34368.849406325,18155.0442553381,13266.3733288055,33746.1364505824,1037906.15173542,23347.4048084869,-5.47426999436716,0.000160937695954328,0.00124545729066385,0.401519298189166]
["NEG05951","ringenin 7-O-beta-D-glucoside",34.52185,433.119056632592,930132.668589372,1930259.2276392,1600622.33444426,941637.974475413,1781201.49453592,334759.294147799,534546.980848293,495240.72934122,842924.956249762,614621.460720551,1436770.73993683,564418.684261525,-1.34799222261419,0.00491053366641929,0.0193182208354384,0.340244800267061]
["NEG04047","Rottlerin",386.53,515.174065622648,71028.0241910757,42656.6692454471,73947.0174594158,165020.703383527,109045.492231841,1260134.29526861,1617587.16841619,1238513.47509918,971643.947549022,1039656.63186597,92339.5813022613,1225507.10363979,3.73028584581836,{"v":9.26371502617408e-06,"d":"9.26E-06"},0.000149590604014717,0.437231127507539]
["NEG03525","Ruscopine",425.9245,305.195474000083,13949.3973288883,0,16230.8041143614,2666.44882463882,18035.5102016501,50704.0420355552,34056.7784977717,29083.3127381448,23723.0408703769,22504.6290115238,10176.4320939077,32014.3606306745,1.65348736347829,0.00849002903963659,0.0304294069665821,0.0543536247483319]
["NEG06095","Rutamarin",32.333,355.154965988053,43339.1405797176,0,0,0,0,1170325.45270519,776310.954382931,474823.983526434,326185.552586709,883858.568855261,8667.82811594352,726300.902411305,6.38875301744555,0.00137677196060787,0.00683496224173029,0.328561512382586]
["POS06881","S-(2-Chloroethyl)glutathione",35.1363,370.082056463816,849014.934843043,1982611.08813795,1541583.71304453,1315800.30367472,1002735.17399169,908005.853158273,479549.879053368,633150.408375749,687838.01736996,623188.552706071,1338349.04273839,666346.542132684,-1.00610985154733,0.0134377584615543,0.0452613656615456,0.296443878175834]
["NEG06478","S-(2-Hydroxyethyl)glutathione",28.3182,350.102406978286,2975132.2572138,3278546.69098482,3310461.13170257,2349054.17763126,4136986.94544935,7211487.62109888,10582607.2839085,7045496.49369851,9592160.28980502,9841590.6276542,3210036.24059636,8854668.46323302,1.46384870541047,{"v":8.86666688337764e-05,"d":"8.87E-05"},0.000777658842536239,0.971416670159042]
["NEG06590","S-(2-Methylpropanoyl)-dihydrolipoamide",26.5549,276.108321891562,939954.008381478,975880.556192564,772502.018546543,822099.158254704,797794.714562179,99590.2473870814,83977.7697801875,48060.5135512397,70431.7380410688,107754.496863081,861646.091187494,81962.9531245317,-3.39405155392535,{"v":7.11141595030438e-08,"d":"7.11E-08"},{"v":8.37088514360829e-06,"d":"8.37E-06"},0.369074103050044]
["NEG06109","S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine",32.1558,251.050459246224,993354.391208633,1108944.28906648,1192324.73238564,1674429.33793594,760126.939102735,2902996.5430595,4804362.84873102,2704817.2732098,3632737.07911893,4825995.30867234,1145835.93793989,3774181.81055832,1.71976343016879,0.000564680363353529,0.00327178143171028,0.637418663868794]
["POS06729","S-(Formylmethyl)glutathione",171.5305,350.100463839709,0,0,0,0,0,199346.570502818,352098.001319229,187843.941804646,402165.315879834,281892.021906372,1,284669.17028258,18.1189267318695,0.000137337954639728,0.00110487890486242,0.215291404275398]
["NEG05054","S-(L-Histidin-5-yl)-L-cysteine S-oxide",192.253,289.063175087681,1021.79596047585,1852.74551199,932.569873546937,0,2197.15918622689,547235.805556523,694903.420183889,631392.470967336,766634.287104973,629316.391744369,1200.85410644794,653896.475111418,9.08885754957813,{"v":1.01447976491316e-07,"d":"1.01E-07"},{"v":9.86285816739222e-06,"d":"9.86E-06"},0.338392328282607]
["NEG05680","S,S-Dimethyl-beta-propiothetin",38.7613,133.03138679333,81223.6095176668,171937.194286801,77332.0732267343,78327.2611184552,173386.567337874,606479.353387589,745790.256847341,459716.105174717,636321.851191785,668086.231075039,116441.341097506,623278.759535294,2.42027418785048,{"v":1.0769239519955e-05,"d":"1.08E-05"},0.000163846286982172,0.294881096931926]
["NEG05239","S-Adenosyl-L-homocysteine",170.306,383.114071581772,107472.908000047,44754.0820746946,40993.272383998,188756.563486653,43497.4648528466,496346.627051691,655558.535721993,514501.083582559,515553.161694407,538405.461845423,85094.8581596478,544072.973979215,2.67665630134529,{"v":3.37718393788972e-06,"d":"3.38E-06"},{"v":7.90897578752917e-05,"d":"7.91E-05"},0.278253621981207]
["NEG06064","S-Adenosylmethionimine",32.4045,354.151639958881,121796.907935587,166122.091745684,210140.518785308,118394.181632588,84258.7132093288,9872080.01674585,7631857.80993104,5219873.63777283,4247874.77994845,7249306.16415325,140142.482661699,6844198.48171028,5.60991533416746,0.000135423612330644,0.00109410432357513,1.04132893624518]
["POS00065","S-Adenosyl-methionine",31.9676,399.14309936073,2489110.3877778,2367018.5312502,2678810.01711792,2880868.44052086,2100263.45804856,8364690.17346222,9334444.73408361,7348976.08328521,8241483.39034946,7430292.3326015,2503214.16694307,8143977.3427564,1.70195181906923,{"v":4.6652331097393e-07,"d":"4.67E-07"},{"v":2.77280564190125e-05,"d":"2.77E-05"},0.983013375560415]
["NEG04633","Saphenic acid",275.385,267.077421254572,0,3525.11556137799,2346.71729146076,2724.6325954078,0,29467.119079102,34620.0753237603,16934.6801801868,33794.934962565,35209.8215171844,1719.29308964931,30005.3262125597,4.12533120607709,{"v":4.02583787774794e-05,"d":"4.03E-05"},0.000426719735240913,0.0684399020008468]
["POS05904","Saphenic acid methyl ester",319.1965,283.106574145048,0,0,0,0,0,11645.9057747434,50379.8220105384,14384.8346625493,59951.4423129531,26137.3383872515,1,32499.8686296071,14.988146266066,0.0100063897741575,0.0351047697723973,0.0659455765693952]
["POS00250","Sarcosine",30.9776,90.0552313565389,19457779.9058593,15639115.1472051,14429498.2450039,15296648.6154211,14102733.0587381,211327354.048889,248734230.918459,158534772.889825,249735456.030598,245098984.584687,15785154.9944455,222686159.694492,3.81837156342203,{"v":2.47679867191571e-06,"d":"2.48E-06"},{"v":6.67392798763793e-05,"d":"6.67E-05"},5.95624925641738]
["NEG06014","Scabraside",34.0041,843.22587362745,683607.805564865,1133572.77391287,1192517.2839705,636191.079233685,1140510.58289492,47490.6029770519,59942.4050123297,34921.3993455811,161827.935890376,151326.398954309,957279.905115368,91101.7484359295,-3.39339017732118,0.000121083050872414,0.000999270270391712,0.371009687685594]
["NEG06722","Sedoheptulose 1,7-bisphosphate",24.5736,368.998922546636,147930.469063174,142556.564047862,126800.718494631,124138.638364099,98371.1791067288,16844.4752247102,10835.2755008007,6525.36914297871,8756.64150777553,33678.5407578148,127959.513815299,15328.060426816,-3.06144035727489,{"v":3.36064527774829e-06,"d":"3.36E-06"},{"v":7.90897578752917e-05,"d":"7.91E-05"},0.139768763065141]
["NEG05050","Sesartemin",192.257,429.153877490826,2965.25997459912,0,0,2778.86876029483,0,6396062.0765405,8085149.02057813,7949605.17172559,11014332.2417016,6089161.95162119,1148.82574697879,7906862.0924334,12.7487295590759,{"v":1.7853174609674e-05,"d":"1.79E-05"},0.000234185483956222,1.15713518134359]
["NEG06569","Sevoflurane",27.2655,199.000228103411,883509.451388733,690916.610323354,372178.558741453,382079.251559486,700564.781902737,350473.426061093,250872.553139348,117098.362765898,198945.574345652,308101.760075601,605849.730783153,245098.335277518,-1.30559932031541,0.0100445138108859,0.035210901470292,0.215866171093706]
["NEG04516","Shihunine",298.1435,202.08643725143,3315.15239888195,8330.92507255472,13189.3640096973,12229.7679409727,6750.58330879174,1866055.76801164,2236918.79974819,1334464.28236102,1697270.98120937,2511834.21446956,8763.15854617968,1929308.80915996,7.78241740640933,{"v":1.41023144470068e-05,"d":"1.41E-05"},0.000195156778600021,0.56994099923962]
["NEG05981","Sildefil",34.36985,473.198668392751,0,0,28270.5772334484,48075.541781414,0,104971.550881156,239543.870579195,230939.388391519,574227.269367943,383848.017166355,15269.2238029725,306706.019277234,4.32815784955176,0.00689044165706971,0.025572920133375,0.202051929758187]
["NEG00095","S-methyl-L-Thiocitrulline",192.285,204.079201860592,91858.1354196981,109514.31438232,114717.834637644,106297.806199001,81218.1326632806,4043485.65155876,4882970.77409862,4917488.11746318,6181068.48002504,3995103.56255717,100721.244660389,4804023.31714055,5.57580323196312,{"v":2.35443078350315e-06,"d":"2.35E-06"},{"v":6.46096251203041e-05,"d":"6.46E-05"},0.901319418004717]
["NEG05046","Sodium 3-ethyl-7-isopropyl-1-azulenesulfote",192.257,299.070235394398,0,2260.32420653736,955.483701675972,2871.50461095638,0,576266.269186315,683737.619998793,725309.370193306,773607.205341958,615959.472563297,1217.46250383394,674975.987456734,9.1148150284183,{"v":6.50520697300642e-08,"d":"6.51E-08"},{"v":7.86426778115073e-06,"d":"7.86E-06"},0.344369216825995]
["POS06102","Sodium citrate",36.41425,295.005289749729,66613.7257307601,19180.2617677216,144077.588689226,57799.15653816,189985.66987654,326258.974044803,189268.111031336,198663.00699981,180058.089314739,365196.075940057,95531.2805204815,251888.851466149,1.39874216215801,0.0138445709426774,0.0465614780651097,0.144979758661495]
["POS07826","Soyasapogenol B 3-O-D-glucuronide",204.509,635.411204300687,0,0,0,0,0,925511.905815798,996071.675992603,302291.254514548,1312454.65790537,656200.583523735,1,838506.015550411,19.677461608344,0.00114466982992023,0.00585155217055222,0.355414430810006]
["POS02579","Spermidine",24.5458,146.164647356358,74131.16575955,137583.338845476,105241.253182496,66936.5192375926,128828.907573271,1051144.63359496,1773214.36532043,1504210.30548218,2002264.88606705,1364000.03618112,102544.236919677,1538966.84532915,3.90764383293582,{"v":2.34601516768328e-05,"d":"2.35E-05"},0.000288289171567234,0.493402788486513]
["POS00094","Spisulosine",432.848,286.309360376082,15932274.0055386,11502861.2018696,18119312.7811167,20632639.5095521,14966331.7002799,5193959.29636701,7901947.91502306,7118055.79369992,7412638.9537755,8364734.88743554,16230683.8396714,7198267.36926021,-1.17300219035224,0.000538877211359391,0.00315665588490613,1.2260241951647]
["NEG03199","Stearoylglycerone phosphate",454.128,435.251275858279,209074.241222391,260501.966240036,267760.95285172,236721.955639197,289505.148333645,361174.193933281,674176.562880803,475319.880138371,635943.977959445,618482.903010001,252712.852857398,553019.50358438,1.1298313205807,0.00106822376294688,0.00551751142224181,0.216517090366799]
["NEG02090","Stellettamide A",535.5035,400.351046927109,111359.758938524,125350.243384357,49520.5983658858,88167.2302897569,122361.081853907,498973.380366692,921138.445988057,572515.719582108,650438.355391375,829201.97789291,99351.7825664861,694453.575844228,2.80526049579552,{"v":7.4487705535629e-05,"d":"7.45E-05"},0.000670389349820661,0.314843361021803]
["NEG05988","Steroid O-sulfate",34.26845,335.128942509709,104944.970511492,33678.9245267709,6918.91535802781,0,45506.5746564419,188883.830897793,400708.670211594,344293.986690564,673575.709705893,328614.072749858,38209.8770105465,387215.25405114,3.34111826852095,0.00273319908440578,0.0119390620161592,0.228295692379319]
["POS04398","Stipitatote",27.6494,209.008194918624,292264.444491901,754806.513566,703616.098212601,565682.915645003,289493.86027051,1217434.67143908,1972560.98313261,1594764.26023242,2088888.11986939,1746750.38965609,521172.766437203,1724079.68486592,1.72599285173289,0.000169663182096727,0.00129065206380724,0.442115661902437]
["NEG05922","Strictosamide",34.77795,497.181412380628,347057.052418795,299162.654196122,230282.923351868,459215.312733178,309651.652860325,1189055.30303504,2439242.60406828,2012564.38955349,2565899.93156814,1840536.27799897,329073.919112058,2009459.70124478,2.61032405040561,0.000138967824066196,0.00111069973560846,0.52439366612272]
["NEG05819","Strictosidine aglycone",36.66125,367.171637908082,316164.785590276,662784.537176298,512228.601584275,52908.7915093854,599919.871294709,13123.359224206,31063.6833280455,39944.5876975872,99109.1641673991,48302.6888565507,428801.317430989,46308.6966547577,-3.21095427979809,0.0089941450549648,0.0319799768130823,0.218353772782846]
["NEG00007","Sucrose",34.7826,341.108573195555,209096474.973521,214020602.592928,200777347.043893,205774835.518534,191856800.905809,56783638.6542259,65306611.8903844,52389290.8716409,67091553.19893,67614663.5411795,204305212.206937,61837151.6312721,-1.72418023849755,{"v":2.02589867075808e-09,"d":"2.03E-09"},{"v":1.00687163936677e-06,"d":"1.01E-06"},5.02466395813967]
["POS05268","Sudan I",451.098,249.101331777286,0,0,0,0,0,7130.06042035231,28876.4108109297,9034.04113523377,9820.59871435106,32549.742887837,1,17482.1707937408,14.093596717644,0.0124689680771384,0.0423490464761123,0.0482595673947405]
["POS06330","Sulfadoxine",28.4528,311.075897465822,623404.52999394,548608.755457627,472970.75665062,626305.782073759,443860.342324329,89140.634488527,155040.863675411,125949.3167296,419696.948066394,85352.3039573464,543030.033300055,175036.013383456,-1.63338020638062,0.000990930839838834,0.00519628797960035,0.241524597125394]
["NEG06300","Sulfamethoxazole",30.4934,252.045988652751,8402.91608882928,22604.7238936636,9285.91068305965,21928.2072337787,0,409800.21507952,490690.6722893,385375.930028549,469407.602921917,476310.100922086,12444.3515798662,446316.904248274,5.16450548475402,{"v":3.16011413259801e-08,"d":"3.16E-08"},{"v":6.31767876185511e-06,"d":"6.32E-06"},0.275757585691732]
["POS00302","Sulfapyridine",40.48985,250.060996278696,988588.557091169,971923.203020357,792557.227828815,871071.206935377,1273276.07969078,5461232.75312126,5074329.84232298,6185381.78021497,13574200.5162826,5046670.06133028,979483.2549133,7068362.99065442,2.85128339661322,0.00596040515940842,0.0227157124366597,0.92974241847946]
["POS06998","Sulfentrazone",43.96165,386.992229499446,119998.607667401,73883.1170877463,128917.043850827,129848.784914417,184355.644393877,413418.865567956,470643.109663017,396652.173045998,383895.494717392,485574.621338799,127400.639582854,430036.852866632,1.7550877794445,{"v":3.45561695024868e-06,"d":"3.46E-06"},{"v":8.00879513909966e-05,"d":"8.01E-05"},0.228422283322014]
["NEG04830","Sulfinpyrazone sulfone",225.121,419.107654468621,0,0,0,0,0,17960.0469169706,37644.6188458699,28804.2259067334,37480.0144900419,36381.7367026035,1,31654.1285724439,14.9501060587463,{"v":3.22086138402313e-05,"d":"3.22E-05"},0.00036381093360443,0.0730992854407661]
["POS07694","Sulforhodamine B",43.69455,559.154376707874,10875.5234847739,0,0,6660.82169052418,0,9122.67170784795,58260.2935299101,44100.2375197954,44005.5727264237,50758.5049089047,3507.26903505962,41249.4560785764,3.55595508991408,0.0025568352720821,0.0112788206824687,0.0748426856725309]
["POS07095","Sulforidazine",34.8685,403.154483825218,581135.843693406,525376.25510967,462196.688299129,590224.159822056,357375.090975173,0,0,17489.0477968127,32009.7619589849,0,503261.607579887,9899.76195115952,-5.66777089795269,{"v":3.3184048028316e-06,"d":"3.32E-06"},{"v":7.85532751434416e-05,"d":"7.86E-05"},0.294482032321623]
["NEG05861","Sultopride",36.2898,353.156323442494,0,0,0,0,0,791578.308305234,259390.469404537,315887.794489373,678095.734433705,1070135.84933881,1,623017.631194332,19.2489134660596,0.0033562047485333,0.0141893231003681,0.302730473587364]
["NEG05856","Tabtoxin",36.36055,288.119949719821,254253.578124025,139753.74343111,110794.240297276,77081.7788248686,155484.892823315,345969.016797758,634378.28634165,481018.812341006,406799.824013975,509827.75023508,147473.646700119,475598.737945894,1.6892877164787,0.000443178556587914,0.00270811158964172,0.22965862513689]
["NEG00628","Tabtoxinine-beta-lactam",673.693,187.071437286521,2188943.19782644,3017456.63282541,2195769.31517626,1682756.10360665,2660679.23451775,254500.524168417,452661.646128397,296950.292559074,594395.184532483,420204.160970255,2349120.8967905,403742.361671725,-2.5406140920286,{"v":3.46939985587349e-05,"d":"3.47E-05"},0.000384124394933716,0.560271901425584]
["NEG04210","Taurodeoxycholate",362.854,498.283551019356,1627618.50775727,1765798.81534974,2324998.94793727,1754209.19468384,1762989.77404254,410321.675556473,481143.95039376,230787.747150336,435220.249506165,437681.375447585,1847123.04795413,399030.999610864,-2.21070724121088,{"v":3.72451441049765e-06,"d":"3.72E-06"},{"v":8.329876479078e-05,"d":"8.33E-05"},0.502150047875279]
["POS04879","Tebuthiuron",28.54545,229.113075454941,199250.628430879,152769.436166008,112979.853432821,214555.091040356,149089.715864618,27271.4555998753,27621.9164102214,0,12821.1755200176,22100.479410283,165728.944986936,17963.0053880795,-3.20572494246417,{"v":5.51231557024592e-05,"d":"5.51E-05"},0.000543096641975991,0.158780399758678]
["POS04207","Tegafur",26.5675,201.071287679351,29300.7621545304,34125.1990237809,30162.1618104158,30208.2047401755,8259.69644683523,236703.316881344,506596.370438079,301826.311859664,473871.02664741,341968.095726159,26411.2048351476,372193.024310531,3.81682899501248,0.000150545442057586,0.00118973456240916,0.236832164980771]
["NEG05923","Tenitramine",34.774,415.109302811909,1759257.6526429,2320405.70010513,2134238.90096715,1567864.5811959,2599220.88147709,697918.840087567,754152.174060839,870624.086566922,1084479.27613561,847349.235950059,2076197.54327763,850904.722560199,-1.28687421312578,0.000261680357854322,0.00180632135907775,0.43294542049112]
["POS07008","Terazosin",29.0347,388.188978302425,97123.2502587809,76345.6239381608,144700.658722628,68997.2727384565,73379.0699847897,165055.781663403,374058.109419639,289162.717496964,201575.258925103,327925.84776099,92109.1751285632,271555.54305322,1.55983053464716,0.00247133881676943,0.0109665659994144,0.163136195998407]
["POS06000","Terbufos",204.6505,289.048512469131,8647.31262332508,12418.9149034455,0,5717.28843888111,4907.73701691819,6678884.52000603,8835168.4706504,7510326.60226605,8034666.06710759,7087415.8928554,6338.25059651398,7629292.31057709,10.2332488233099,{"v":3.6715705172017e-08,"d":"3.67E-08"},{"v":6.53331452749916e-06,"d":"6.53E-06"},1.15667032364597]
["POS07190","Tetracenomycin A2",177.314,423.107688148715,0,0,0,0,0,32983.1811118094,89714.0560758966,128561.165256264,109692.184108754,147916.229892194,1,101773.363288984,16.6350004947961,0.000865989685182927,0.00465014629270496,0.127456323426438]
["NEG05097","Tetracenomycin D3",191.714,379.044114759805,0,1941.23627103224,0,0,967.928023270323,104680.641864173,65553.7102962283,116997.685447733,90252.7014031351,81893.3800005356,581.832858860513,91875.623802361,7.30293355545453,{"v":7.1680963851434e-06,"d":"7.17E-06"},0.000124758346812243,0.12552646086679]
["NEG05775","Tetrahydroharmine",36.9758,215.114112661831,80874.9830230778,76077.1949481252,56766.3729952702,43470.5405489518,48829.6986455103,123293.73477268,283398.058462175,246961.607069749,145841.378074521,169666.655942017,61203.7580321871,193832.286864228,1.66311675703315,0.00293620376040622,0.0126895066862773,0.14044683618284]
["NEG06043","Tetrahydropalmatine",32.64255,354.170905787873,121886.852537338,165994.728332239,210071.50725138,118402.217201668,96137.4160722303,1853475.59833052,4356360.18185927,3496571.06797378,3433165.58877521,2182597.43573179,142498.544278971,3064433.97453411,4.42660153487063,0.000222279901848107,0.00159514849951907,0.687494267370703]
["POS07921","Tetrahydropteroyltri-L-glutamate",35.03365,704.269162785117,695842.883290693,595556.214906818,517994.03090918,1090321.19366323,448637.699768821,247570.467988009,40387.6613986355,49621.1972530762,26832.2657940076,22207.9974606001,669670.404507748,77323.9179788657,-3.11446456540268,0.00118639271971714,0.00605791625033649,0.310476518447558]
["POS07991","TG(14:0/15:0/16:1(9Z))",28.4144,763.6652764744,321485.680436095,297759.790870654,324390.649330026,354496.830770957,308391.926478039,113972.735064437,89341.6247814315,135268.398647125,82272.3147634879,130848.792171556,321304.975577154,110340.773085607,-1.54197732823724,{"v":4.49423901341364e-07,"d":"4.49E-07"},{"v":2.77280564190125e-05,"d":"2.77E-05"},0.19272977701853]
["POS08019","TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:0)",28.183,797.65841552546,222312.939433904,186338.38501178,222130.919309789,219535.671890264,155709.493049592,67896.0389443322,71195.5536536259,79562.778622901,82250.8898271494,79205.0056571871,201205.481739066,76022.0533410391,-1.40417971340318,{"v":1.51143866745405e-05,"d":"1.51E-05"},0.000205491342234711,0.148175350296161]
["POS06961","Thaumatin b, recombinant",567.101,380.207992962211,696670.748877875,924540.148796444,710719.985729045,615441.512783764,706757.657441145,2720734.8632463,2112092.64123734,2203673.50860697,2872077.07680492,2488664.81476079,730826.010725655,2479448.58093126,1.76241942015032,{"v":3.31915247084964e-06,"d":"3.32E-06"},{"v":7.85532751434416e-05,"d":"7.86E-05"},0.550274141011495]
["POS00233","Theanine",36.4793,175.107187618627,1030205.78222302,1026590.61734594,1682954.53575198,946221.835465043,1932429.26168414,43444860.49282,54726503.4522703,38169385.3946753,47935608.395098,55180558.5365554,1323680.40649402,47891383.2542838,5.17713936522826,{"v":5.87519201124662e-07,"d":"5.88E-07"},{"v":2.98633339389842e-05,"d":"2.99E-05"},2.84399974145116]
["POS06350","Thebaine",38.49285,312.164022701665,10064.1050768125,0,8143.54503069178,17156.5291201525,0,277598.235068398,189308.465931117,354512.974464379,541027.684286711,83977.8338737432,7072.83584553136,289285.03872487,5.35405912353825,0.00657500687182554,0.0245697625210323,0.198633490260979]
["NEG05977","THF-L-glutamate",34.38845,573.214410256441,0,0,0,0,0,468760.591570072,812271.053874482,399677.925270088,416480.312618225,686434.072500431,1,556724.79116666,19.0866048028298,0.000138323436883963,0.00110881851824725,0.300892204583549]
["NEG06341","Thiaburimamide",30.4363,229.058989082925,135751.949013657,98423.6268361067,97327.2907613132,180464.084844003,108511.715755972,632632.3779312,1028621.5634346,704404.6856186,837654.723726141,1001674.48948113,124095.73344221,840997.568038334,2.76064811379858,{"v":1.91478714232123e-05,"d":"1.91E-05"},0.000248977990918688,0.347331323096048]
["POS05840","Thiamine acetic acid",34.8702,280.101736790778,5513587.61266285,6326516.7966627,5273550.69608819,4298538.64538832,6709807.78721029,2239666.30786743,2284858.19157185,1774403.1498794,2316738.97935158,2525967.65605273,5624400.30760247,2228326.8569446,-1.33573841298482,{"v":5.63717184591378e-05,"d":"5.64E-05"},0.000553177541526368,0.736275861741822]
["NEG06604","Thiazafluron",26.3944,239.022436752866,860106.877047691,922992.950856387,849395.272403894,1160222.43298414,950458.711413855,194456.069123376,253712.268400079,191734.225313688,269010.329156783,230002.118328675,948635.248941193,227783.00206452,-2.05819338409993,{"v":1.69898941813008e-06,"d":"1.70E-06"},{"v":5.58626789575505e-05,"d":"5.59E-05"},0.355281286587225]
["NEG05820","Thiophate-methyl",36.66015,341.038801076925,95107.7028801625,183252.669752013,163669.68226867,83992.4742298335,179791.42847707,6152.23562762181,44544.2884453856,24993.6056920606,47446.5788006849,45938.2809475567,141162.79152155,33814.9979026619,-2.0616246956944,0.0015493230876269,0.00754915269167224,0.123962226348384]
["POS07258","Tianeptine",47.3118,437.132272204731,27011.8918521008,8435.99676110589,5513.84321855357,4193.43333676409,0,870327.353972835,1043933.13503455,520831.992129659,518956.590613124,1274982.38544824,9031.03303370487,845806.291439682,6.54929245866284,0.000475140034503307,0.00284511562829088,0.363497760924055]
["NEG05083","Ticlopidine",191.982,262.044086253522,11209.7258486178,0,0,17696.9211261729,0,157701.49683425,180586.554357373,193940.801730262,242139.75294845,172467.993606148,5781.32939495814,189367.319895297,5.03364229549071,{"v":1.75672513182319e-06,"d":"1.76E-06"},{"v":5.69408080771386e-05,"d":"5.69E-05"},0.178007185868977]
["NEG06529","Timepidium bromide",27.80745,398.025496818011,133501.303606484,223362.650795242,274220.555537084,256225.971332897,98785.8649222319,444736.30006757297,519633.467549671,363423.932249466,517070.751677266,546620.7120895,197219.269238788,478297.032726695,1.27810632450779,0.000379345082769795,0.00239324478875782,0.208403474375195]
["NEG02734","Timosaponin A-III",509.419,739.440522385434,68271.9418242072,47084.4710590335,85812.7672424702,77790.7032480482,48447.1672281799,34035.8785708186,6042.80960857705,5418.22479119711,3613.94163548348,3049.11028280726,65481.4101203878,10431.9929777767,-2.6500705865626,0.000485755039036152,0.00289704305281161,0.0961713933576663]
["NEG04712","Tiocarbazil",265.075,278.160580880347,14929.4884918706,17360.9647921399,16926.8520917026,18339.6718337901,43449.6308648709,39906.388668441,74559.6793026437,78231.5338535136,67411.3013983578,72880.5948141254,22201.3216148748,66597.8996074163,1.58483111685977,0.000941914886880553,0.00498529423061793,0.0847711735162503]
["POS05433","Tolmetin",167.8405,258.107503674685,0,8758.22423555634,24893.2365648162,0,7820.35307677193,174266.662349195,245685.540385206,290475.752523384,189797.158607152,203369.593734332,8294.36277542889,220718.941519854,4.73393548437787,{"v":9.56229972184487e-06,"d":"9.56E-06"},0.000152214116212854,0.191156842232039]
["POS06295","Tolnaftate",325.3485,308.116983349276,0,0,7492.56095767532,0,0,157699.957556814,257728.176710686,208144.104643019,179694.315155211,234500.20358158,1498.51219153506,207553.351529462,7.11380759693214,{"v":3.19620916316628e-06,"d":"3.20E-06"},{"v":7.7650400468144e-05,"d":"7.77E-05"},0.188514604885127]
["POS07185","Topotecan",187.19,422.176736356834,0,0,0,0,0,19319.5620159733,47722.477651783,13419.3708143001,35663.8057446323,70190.9581919145,1,37263.2348837206,15.1854653020341,0.00651227299720947,0.0244169296869388,0.0723692904772939]
["NEG02806","Torvoside D",500.694,725.424433726865,3692699.5279027,3016231.42463539,4721067.71541897,4532425.84861373,3758183.91893804,1475785.28890402,1044993.01082169,627249.491030201,897664.279740987,819030.930527271,3944121.68710177,972944.600204834,-2.01927449863571,{"v":2.31244679122698e-05,"d":"2.31E-05"},0.000286525609339564,0.721343097573659]
["NEG05679","Tos-Lys-CH2Cl",38.80645,331.093397200528,0,0,0,0,0,23433.4387571649,82343.7838799037,56114.551244019,51620.8070761334,42950.8043711618,1,51292.6770656766,15.6464652499208,0.000679737744334523,0.0038005836630104,0.0896620109679956]
["NEG05173","trans-Cinmate",179.488,147.043746650079,4678021.95771466,28866740.0507734,29586970.2647148,5285299.57952847,29098538.348985,40810534.9308489,45669518.2902798,42856222.6629398,42742637.8132748,44728377.0454289,19503114.0403433,43361458.1485544,1.15270877623903,0.00404613629201577,0.0164232011199515,1.91432582640047]
["NEG06176","Transfluthrin",31.8777,369.013577172969,565062.303534383,548705.154845688,734209.441371779,401453.886011948,767858.491395533,1124218.59841209,2059764.21640517,1490164.3016634,1897450.50619665,1599404.83735427,603457.855431866,1634200.49200632,1.43726006747887,0.00038472086805121,0.00242374146872262,0.407868730635863]
["POS07012","trans-Resveratrol 3,4'-disulfate",28.7309,389.001936523686,6129.40706432338,9080.13232872411,0,0,6029.88439017784,191190.798072289,426798.509624397,299549.960692027,320203.192837198,188929.109634861,4247.88475664507,285334.314172154,6.06976481800966,0.000229622491633247,0.00163894374022892,0.212882789336795]
["NEG06070","Tranylcypromine",32.3884,132.084480736929,0,7261.90694729566,19718.9864426851,22584.0334763344,12724.304316683,586653.312574071,738993.70991079,634937.548379489,444297.693527255,621528.217203788,12457.8462365996,605282.096319079,5.60248110208881,{"v":1.65666209705618e-06,"d":"1.66E-06"},{"v":5.50095890579573e-05,"d":"5.50E-05"},0.319896160945931]
["POS06391","Triazamate",165.042,315.148298756994,60557.2593494589,149126.952134117,176716.148566666,59792.726561146,111646.248390807,159872.255409213,366310.205548589,222461.411237991,312055.969232797,294468.311955419,111567.867000439,271033.630676802,1.28055030465202,0.00596204927356104,0.0227157124366597,0.151135298220618]
["POS04934","Triaziquone",228.273,232.109274756854,9641.8118373978,0,5920.3556232322,23198.6421435661,6199.2661998534,1561697.28720537,2517761.07183338,2421613.30641448,145524.164602998,1344997.89883471,8992.0151608099,1598318.74577819,7.47369496404919,0.00608358524312742,0.023069114472555,0.473215772372675]
["POS07384","Tribromobisphenol A",27.9102,462.860197871917,195530.791609704,324034.519093934,597138.619857834,232989.446316912,519928.736282157,789008.628747103,797450.533325073,1123533.89355606,1249453.4994413,626466.269820345,373924.422632108,917182.564977976,1.2944622275515,0.00472391463998879,0.0187072186904027,0.282393088578882]
["NEG05095","Tributyltin chloride",191.77,325.082662704332,0,0,0,0,1020.94541125404,76880.6235606015,78079.3983149377,52126.2823743908,105703.687507496,54079.0756317182,204.189082250808,73373.8134778288,8.48921572940081,{"v":6.9363830571506e-05,"d":"6.94E-05"},0.000639548698905978,0.109624211362226]
["NEG05997","Tributyltin oxide",34.23235,597.223292520647,0,0,0,0,0,13762.2843504904,280662.486623871,134402.544400397,269421.238205343,136788.867095878,1,167007.484135196,17.3495532303265,0.00966065598912385,0.0339985163173493,0.150494405879704]
["NEG05764","Trifluoperazine",37.1108,406.159536231516,0,0,0,10995.5483224812,0,44314.9956885858,355127.795588216,291201.621523753,229458.516766496,202274.308437223,2199.10966449624,224475.447600855,6.67349429620729,0.00278265883860749,0.0121196036855806,0.181812775250534]
["NEG05760","Tropacocaine",37.1533,244.129680203935,896499.240576325,1263195.17328081,1392918.0397317,897903.405429741,1380564.66524644,450177.826885313,707103.758579047,550073.701698795,915527.646518236,105161.077925291,1166216.104853,545608.802321336,-1.09589632619818,0.00771089852131818,0.0280870106562347,0.289301937421925]
["POS00347","Trp Ala Met",204.1035,407.169910975791,0,6633.3275618692,0,0,0,609929.529130653,839911.553402703,1027713.3589499,1472271.47043631,355371.205988004,1326.66551237384,861039.423581514,9.34213080939369,0.00192658866947921,0.0090521335279207,0.360012148435997]
["POS06972","Tryprostatin A",567.0935,382.203425843506,168184.501243567,209542.22323928,194210.711418098,88812.0283984673,83507.6286617361,853285.765287966,567814.05263643,592352.576757197,865434.124483237,727623.111005717,148851.41859223,721301.926034109,2.27673030523395,{"v":3.01168745847799e-05,"d":"3.01E-05"},0.000344533964239694,0.309984801540321]
["POS07049","Tylactone",447.546,395.279293654936,424310.369822562,448975.877439465,127143.878870822,418874.285226669,315482.440439375,78701.5322668742,80656.895702878,12128.9596382856,28510.2043484264,62290.8998306624,346957.370359779,52457.6983574253,-2.72553199978017,0.00132079069335083,0.00663063610702384,0.211717469641099]
["POS00360","Tyr",95.6844,182.080604788445,3746239.15473568,3469865.86762825,2873003.49916907,3945240.64256363,2291070.86278388,10942714.7180016,11974861.20499,9435464.9928338,15127813.3162626,11474790.5275902,3265084.0053761,11791128.9519356,1.85250984143513,{"v":2.4521311795114e-05,"d":"2.45E-05"},0.000295643740322223,1.19158025341848]
["NEG00045","Tyrosine",44.4795,180.065457178064,2374856.8881032,1990393.03817782,1637223.0995858,2454918.15741706,1752769.09243351,6374505.7791898,7271838.43281077,5569433.05582202,7333686.93414781,7330980.33312045,2042032.05514348,6776088.90701817,1.73044729061784,{"v":1.89443201926932e-06,"d":"1.89E-06"},{"v":5.88457945985531e-05,"d":"5.88E-05"},0.900115741192057]
["NEG06450","UDP-N-acetyl-alpha-D-glucosamine",29.09345,606.074056274325,801925.289213325,1034064.62748316,908453.402991016,197651.634612599,1111244.40435107,48487.7927891901,133636.438592536,170868.504041111,169101.062320055,205029.718521388,810667.871730234,145424.703252856,-2.47883860725585,0.00369122397276442,0.0153125444013536,0.298685819200422]
["NEG05710","Ulifloxacin",37.6782,348.079294555862,214560.390588894,278937.54643012,277493.456640652,201567.987847234,195593.727237419,778158.445824208,1057582.93960287,1207323.64160706,709669.672107115,1070530.6464083,233630.621748864,964653.069109911,2.04578080092657,{"v":6.34235239378034e-05,"d":"6.34E-05"},0.000597249310681673,0.350889530660652]
["POS07038","Undecylprodigiosin",447.3365,394.276143739041,2465475.64989779,2593073.23206511,1347320.95473293,2279218.69788456,2205351.34744113,988999.399766713,1051787.68830285,813932.220360618,759827.870521568,1118154.60688068,2178087.9764043,946540.357166486,-1.20232630413909,0.000667157725208616,0.00374899058399264,0.435129265229669]
["POS05580","Ungeremine",225.3685,267.08774150665,16682.66004604,4735.27942283782,27725.3858885758,17333.4791378299,0,285494.822334483,1093545.70143063,613360.614660548,681199.196667175,672941.810103063,13295.3608990567,669308.42903918,5.65367633880544,0.000931154588463447,0.00493489866611019,0.318233256843556]
["POS05310","Uracil mustard",28.7309,252.026768468159,45823.5063331794,95496.0040083768,90446.5795978671,102860.866341933,6670.40785744917,932067.222436387,1731547.95763945,2238313.61768507,1396230.80997954,1189498.39872537,68259.4728277611,1497531.60129316,4.45541336477363,0.000237235071958774,0.00168169964638922,0.483253523753298]
["NEG04302","Urdamycin G",343.586,713.265084051247,2766.31661604781,5560.05875487698,2319.16475425631,0,6164.57100435529,5714.09018171765,24219.0693654598,9129.52626626018,22799.9414828926,22849.6034457959,3362.02222590728,16942.4461484252,2.33324101865821,0.0105448177087411,0.0368204290485549,0.0434442796564705]
["NEG06063","Urdamycinone B",32.4171,451.144436854921,154420.201258036,64290.0698435179,85214.4108560969,106869.781941515,104319.381482139,631065.927686741,1149189.29833008,1028794.65411385,1069650.00442651,753729.134503504,103022.769076261,926485.803812137,3.16880564768096,{"v":3.68438700471314e-05,"d":"3.68E-05"},0.000401957635904436,0.371528655112608]
["NEG05455","Uridine",98.445,243.061674125848,7972369.57621448,7781500.90649382,7766488.44579167,8673504.80274573,6557710.15335526,2410674.88267354,3914451.34405773,2598223.40317232,2962541.61598043,3265672.68790538,7750314.77692019,3030312.78675788,-1.35478819088912,{"v":4.38803509449852e-06,"d":"4.39E-06"},{"v":9.28514258245561e-05,"d":"9.29E-05"},0.911753340625739]
["NEG00070","Uridine 5'-diphosphate",27.8104,402.994495805338,3925005.12315364,3014551.0166863,3709520.04180278,2917556.75640102,3191455.24442876,737837.814004373,812111.769540876,939279.028950235,1033463.65654439,711820.552352404,3351617.6364945,846902.564278456,-1.9845896681887,{"v":2.03258863138296e-06,"d":"2.03E-06"},{"v":6.00866460168109e-05,"d":"6.01E-05"},0.659722255785097]
["NEG00052","Uridinediphosphateglucose",28.6079,565.047220701244,11633567.8810957,13442492.3926743,10441019.5036682,10503854.9754553,11237881.2489762,1844358.10812334,2681811.69021242,2124305.49687884,2199234.47054584,2800805.07653982,11451763.2003739,2330102.96846005,-2.29710412885805,{"v":2.48029979356328e-07,"d":"2.48E-07"},{"v":1.76101285342993e-05,"d":"1.76E-05"},1.25323798466435]
["NEG06650","UTP",25.64395,482.960660668404,323474.783227968,154165.084150634,302202.860118111,199178.779120602,286090.347998116,90062.0673154963,58138.4435716651,74956.2235978989,135821.89730756,71985.6047953488,253022.370923086,86192.8473175938,-1.55362488829104,0.00145774822775174,0.00715752779663397,0.160279962292552]
["POS00312","Val Asp Gly",44.22905,290.133572132731,128405.96824366,161885.086622521,110436.951511787,112491.315012458,139547.323387047,2122442.70762511,2204365.48710303,2500226.37688028,2274921.38407595,1649635.34704457,130553.328955495,2150318.26054579,4.04183905325362,{"v":5.32103591653745e-07,"d":"5.32E-07"},{"v":2.85776753299112e-05,"d":"2.86E-05"},0.593664960037574]
["POS06539","Valclavam",185.644,330.164648828069,0,12667.0241146509,3943.7842630985,4598.09540679173,0,15617.7665763279,74946.289350499,39296.5044594778,131049.191359341,73636.3652422149,4241.78075690823,66909.2233975721,3.97946313929655,0.0128262882076707,0.0433978722790553,0.0914614309337771]
["POS00011","Valine",38.8809,118.086129672516,71416168.8620063,70930896.3813107,41923437.0662404,61394949.637595,39631366.8626557,263849485.163475,335884145.818756,249717021.914606,395599287.163473,341111804.13465,57059363.7619616,317232348.838992,2.47500432773005,{"v":1.37612025445769e-05,"d":"1.38E-05"},0.000192368777823571,6.63833267590315]
["NEG01658","Veatchine",561.949,342.243476868503,0,0,0,0,0,207442.275690531,243139.458673586,186071.916819818,195473.217008882,191800.397560689,1,204785.453150701,17.6437537121736,{"v":3.97376729723941e-08,"d":"3.97E-08"},{"v":6.53331452749916e-06,"d":"6.53E-06"},0.189160044744696]
["NEG04986","Velloquercetin",195.5825,367.08834957289,0,0,0,0,0,54443.2190003798,38599.3995531071,50568.8657925374,58533.8137711865,33068.3623592103,1,47042.7320952842,15.5216842293891,{"v":1.0269544148169e-05,"d":"1.03E-05"},0.000158398865430207,0.0894717655016024]
["NEG05047","Vernoflexuoside",192.257,407.172139442333,0,0,0,1290.84128354381,0,24755931.4929671,35508542.5816151,33266154.1858645,55210947.2971607,23100836.5050299,258.168256708762,34368482.4125275,17.0224149995862,0.000323518364005836,0.00213751498109026,2.34748948165608]
["NEG06135","Vidarabine",32.1284,284.098440678605,1241633.03119464,1498714.30249993,1243228.5119268,1512976.54191188,1326811.18411352,2402556.43835165,3188122.60467639,2063363.08680793,2718410.73011057,3434496.96169683,1364672.71432935,2761389.96432867,1.01683964506517,0.000624921282997644,0.00356539910567406,0.467856922584667]
["NEG06277","Vinclozolin",30.7147,283.994162099119,7254.57801831772,35009.6601215983,20344.4432235267,35631.5981232242,11265.9967412459,620803.974994452,786726.23845163,420940.334044481,637489.541547338,801465.501002148,21901.2552455826,653485.11800801,4.89906891777615,{"v":1.6696876083116e-05,"d":"1.67E-05"},0.000220961913372124,0.325952943306044]
["NEG04834","Violacein",223.474,342.087471491904,49407.4378667922,31184.2540969038,24240.8389269578,40391.6261419171,35892.9012753764,114876.927111864,151162.522896568,115230.459682437,111406.034081473,121172.806926401,36223.4116615895,122769.750139749,1.76096079513782,{"v":6.89852513061762e-06,"d":"6.90E-06"},0.000122448821068463,0.121164588868485]
["NEG05902","Vitexin",35.0457,431.104119711863,1743231.72611868,1561654.59420552,1225662.11824106,2326315.01001161,1504002.66733298,1029436.06669587,831408.099891806,537685.043035105,595610.573197859,808024.116976768,1672173.22318197,760432.779959482,-1.13683167765524,0.00206251903238246,0.00955035986733618,0.378745674309282]
["NEG05030","Volkenin",192.28,286.088620373517,0,0,1571.44905172103,1142.84391784058,0,801307.711607637,1031476.49545031,1009484.45158413,1219444.69797438,900731.294047957,542.858593912322,992488.930132883,10.8362588480027,{"v":6.05274460906634e-07,"d":"6.05E-07"},{"v":3.00821407070597e-05,"d":"3.01E-05"},0.41586673730278]
["POS03779","Withasomnine",229.034,185.106709929771,18340.2519345741,34756.8752164999,11486.8165761146,16887.9327503113,38102.6218775116,184119.086129882,281087.69891668,457323.830848491,349948.916935278,176400.758200298,23914.8996710023,289776.058206126,3.59895675790304,0.00104088306322344,0.00540124123178473,0.20491644497823]
["NEG05626","Xanthan",44.4795,181.068764863124,184114.23611097,159881.44279754,121244.395674063,207002.189555076,123759.355768757,593261.921481521,688826.180053142,517398.650266642,670782.231824128,696428.14935687,159200.323981281,633339.426596461,1.99213562089356,{"v":1.64121690292544e-06,"d":"1.64E-06"},{"v":5.50095890579573e-05,"d":"5.50E-05"},0.284919797436457]
["NEG00043","Xanthine",44.7537,151.024786029399,3258012.44699101,4088834.72663229,2986308.80751584,3151126.23544297,3170807.02957967,1125185.83726974,1979172.22591628,1266761.83221016,1333387.68263632,2215262.54633718,3331017.84923236,1583954.02487394,-1.07243262368483,0.000316677595436703,0.00210788524462556,0.523541688743034]
["POS04289","X-Trp",204.287,204.088870591423,137007.039160085,228392.479673786,268118.810484594,194254.600781043,197644.767947716,2363609.05341005,2978319.54153704,2616087.87570811,3631446.41209,2403139.83597432,205083.539609445,2798520.5437439,3.77038073033596,{"v":4.18349073856402e-06,"d":"4.18E-06"},{"v":9.08386120077518e-05,"d":"9.08E-05"},0.667067100823689]
["POS07464","YC 170",34.8696,488.167791646351,2105521.5742147,2861505.97583912,2373797.639757,2142516.16589417,1923367.22787271,352049.036410584,300154.620418764,391442.568556667,648520.398744359,452847.766873338,2281341.71671554,429002.878200742,-2.41082332869359,{"v":5.0081628700673e-06,"d":"5.01E-06"},{"v":9.96631145588496e-05,"d":"9.97E-05"},0.561851566725572]
["POS06266","Zaleplon",36.1451,306.128599053451,0,0,41235.4137628675,32633.2011156431,41066.0622067665,381138.23078302,517951.047452054,516656.386384804,392557.616142017,543072.113179536,22986.9354170554,470275.078788286,4.35461883561458,{"v":1.54882431848663e-06,"d":"1.55E-06"},{"v":5.39735083692899e-05,"d":"5.40E-05"},0.27897607905233]
["POS06423","Zearalenone",37.80865,319.148905255034,4173950.82731826,4443109.8763976,2085694.7142142,2216126.04776282,4041699.34421781,141389.729021828,462063.086135525,356504.714255913,205391.212471176,338457.345572144,3392116.16198214,300761.217491317,-3.49549512368288,0.000320022190506988,0.00211754328126887,0.687270723622131]
["NEG05071","Zizybeoside I",192.246,431.159888397604,0,0,0,0,0,139685.255558546,223867.265423581,166595.209518243,341398.064294036,122558.566466215,1,198820.872252124,17.601109693681,0.00102020562549129,0.00531690410158811,0.174816613695412]
["POS05986","Zolmitriptan",421.44,288.167969643671,55777.9110597411,123067.660637809,58879.6933324199,103077.561354017,97848.9734530526,284673.272343469,272369.495942662,221963.365712419,307657.434634497,355235.952817512,87730.3599674079,288379.904290112,1.71682254087694,{"v":4.86134727211736e-05,"d":"4.86E-05"},0.000496456765940205,0.184034194450933]
[]
[null,"Tryptophan and its derivatives"]

{"sheet":"Table S2-2","index":1,"n_rows":1205,"n_cols":20,"rows_kept":1205,"merged":[[0,0,0,19]],"flags":["formulas_cached_only"]}
["Table S2-2 DMs in TM vs. TM-15T"]
["Compound ID","Name","Retention time (min)","m/z","TM_1","TM_2","TM_3","TM_4","TM_5","TM-15T_1","TM-15T_2","TM-15T_3","TM-15T_4","TM-15T_5","TM mean","TM-15T mean","log2 (TM-15T/TM)","P-value","FDR","VIP"]
["NEG00066","Indole-3-ethanol",291.356,160.07551288147,13129.2549656401,31833.3322983961,30714.7282349636,12669.336861809,21049.7202112537,1569558.00712721,2664764.10487789,2933155.72721631,2477059.27379083,2449170.67268872,21879.2745144125,2418741.55714019,6.78854791395857,{"v":6.07812245685547e-06,"d":"6.08E-06"},{"v":7.68006829082331e-05,"d":"7.68E-05"},0.495067227136039]
["NEG00059","Indole-3-acetaldehyde",326.681,158.05981576503,3360950.20948853,3646985.63059885,3664744.23518897,3552466.86112147,3666473.87732486,14559023.0125227,22832066.1689488,21939927.2231969,18498838.1372592,15322771.1588271,3578324.16274454,18630525.1401509,2.38031234709959,{"v":1.88567944117123e-05,"d":"1.89E-05"},0.000171785013041933,1.22622234961196]
["NEG04415","Indolepyruvate",320.1605,202.050061671636,782102.93956031,610775.634698577,624351.340513867,840554.960517834,584039.457333937,7014051.88851819,12930410.0598801,20442272.1864547,18315435.902909,15562283.6064218,688364.866524905,14852890.7288368,4.43142646568951,0.00029942602267076,0.00153066582789293,1.17081956643005]
["NEG00144","Indole-3-acetate",711.689,174.054795890769,970262.485848983,1833815.24214185,1856898.03089219,977228.100330969,1241741.10715998,1619045.67108553,3590667.31430201,3195402.35296946,3384795.74905404,2955288.89669319,1375988.99327479,2949039.99682085,1.09977645954164,0.0043921870398885,0.0148273604750349,0.362560584960023]
["POS00039","Indole-3-carboxaldehyde",203.697,146.059521394925,1015468.43805547,1080334.22831666,1137273.60414563,1061466.32820136,999875.641001166,185374522.458877,258483280.973201,289741053.092979,310438522.529002,264618903.020671,1058883.64794406,261731256.414946,7.949398341581,{"v":1.79350303877961e-06,"d":"1.79E-06"},{"v":3.44306398818077e-05,"d":"3.44E-05"},5.19173456330467]
["NEG04933","5-Hydroxyindolepyruvate",199.017,218.04512126719,3078330.96975056,3595931.00361106,3548331.39597937,3375953.42035179,3617238.14160356,907292.143971905,376417.523707896,417331.906715141,328014.076808796,270634.786562489,3443156.98625927,459938.087553245,-2.90422038260381,{"v":4.82128798311525e-08,"d":"4.82E-08"},{"v":4.3131242296949e-06,"d":"4.31E-06"},0.560923160044876]
["NEG04778","5-Hydroxyindoleacetate",245.0195,190.049947470204,118905.318703649,120347.524756534,124444.700775142,145302.676040897,129426.26649405,203041.894386328,334389.974258634,294150.972766368,309217.234269413,203758.950052123,127685.297354054,268911.805146573,1.07454067863393,0.000978570449159826,0.00409079029821673,0.112838183907778]
["NEG04765","6-Hydroxyindolelactate",246.956,220.060809973593,20618.7755050304,9737.47878885958,11683.3149904131,8917.7730256904,11468.0850704812,196422.720299454,576089.175230073,730492.38808723,758840.049364808,564400.728744444,12485.0854760949,565249.012345202,5.50060896269765,0.000564640556394554,0.00258019492635416,0.228657463351449]
["NEG05953","3-Indoleacetonitrile",34.5192,155.064206865227,91210.0185483547,126088.59938232,111351.476052139,106040.324671239,111168.670515909,2236053.14810005,4103852.80654751,4395614.21216149,4216611.21996581,4021798.38538118,109171.817833992,3794785.95443121,5.11934612764142,{"v":1.41315610684827e-05,"d":"1.41E-05"},0.000141535559435941,0.611815692439361]
["NEG05037","Indole",192.257,116.049061088145,192106.86277439,233014.488649689,222551.831205742,205952.261822928,207058.045352078,8262315.396657,12997912.1618416,15175520.7283093,16085625.1113153,13225540.2416879,212136.697960965,13149382.7279622,5.9538570491646,{"v":1.18809313536019e-05,"d":"1.19E-05"},0.00012474977921282,1.14746239898557]
["POS00064","2-methylindole",203.808,132.080409880885,1001927.2265644,1070829.11062343,1032667.34415469,792111.602103441,987395.579968563,86927079.1489612,119057663.690811,132157923.585201,141072242.050667,117483891.801148,976986.172682905,119339760.055358,6.93252092215806,{"v":1.2530409921734e-06,"d":"1.25E-06"},{"v":2.73407432097151e-05,"d":"2.73E-05"},3.50057102521894]
["NEG04240","Desacetoxyvindoline",360.982,397.218751185681,74972.8212104319,67006.1279874348,98945.8757515892,75607.8607736794,68488.9460730129,0,2782.99764603375,7979.94173024407,8283.70289213008,10511.5221379132,77004.3263592296,5911.63288126422,-3.70331091902078,{"v":2.56428411449278e-06,"d":"2.56E-06"},{"v":4.24816401634305e-05,"d":"4.25E-05"},0.0861313682641136]
["NEG04600","3-Methyleneoxindole",281.355,144.044079920101,5558097.40813565,7093371.68846383,6947926.19537548,5902462.68392308,6176706.71169056,44587506.0654643,74739370.6104589,88788613.9079883,87206732.2789373,74836163.2146753,6335712.93751772,74031677.2155048,3.54656383828171,{"v":2.7563717768451e-05,"d":"2.76E-05"},0.000225334456862748,2.61078792958864]
["POS05347","2-(4-Hydroxybenzyl)isoindole-1,3-dione",43.7528,254.076046377886,743104.328218454,783312.326434916,725867.180400789,698325.196509433,751997.451198068,1403717.70323424,2333929.61680637,1812761.01314567,1938581.12087564,1512245.88976855,740521.296552332,1800247.06876609,1.28158178640509,0.000209010357298095,0.00114431251920977,0.317819690096884]
["NEG00086","Tryptophan",217.981,203.081690648956,250711.485399288,369965.408131048,368060.810044581,249902.523372892,313244.118301464,9779486.0509106,16414129.977584,16240639.9897995,22584401.0455454,18653021.2271482,310376.869049855,16734335.6581975,5.75264642376557,{"v":4.81828044444614e-05,"d":"4.82E-05"},0.000347291323035021,1.28253050471921]
["NEG00526","L-Tryptophan",675.037,203.081680767859,1578573.49583056,1999646.11361719,1923886.32775267,1759512.97086366,1749284.33754873,1465559913.99564,2030875213.81466,2351121628.99543,2516170345.70128,2124531397.13461,1802180.64912256,2097651699.92832,10.1848158002855,{"v":2.63598176232477e-06,"d":"2.64E-06"},{"v":4.28356980064942e-05,"d":"4.28E-05"},14.7058306128154]
["POS00307","5-Hydroxytryptophan",182.912,221.091301182781,37441.7769808718,51659.5993198052,40377.0392061085,35962.4607237512,53522.9512475281,14436430.2365985,20798601.5710178,23405813.2416554,25650073.1766503,21194490.5753167,43792.765495613,21097081.7602477,8.91213517928501,{"v":3.592102074589e-06,"d":"3.59E-06"},{"v":5.38971376755407e-05,"d":"5.39E-05"},1.47171414639428]
["NEG05192","5-Hydroxy-L-tryptophan",177.263,219.07671113906,405484.905326985,772503.766203873,706090.55737525,406343.742963733,596217.873381284,2381979.47462782,3300392.13714582,3578981.21602334,3725603.53913331,3292263.42735802,577328.169050225,3255843.95885766,2.49556803367755,{"v":4.41891757166079e-06,"d":"4.42E-06"},{"v":6.1768182181371e-05,"d":"6.18E-05"},0.523513353469733]
["NEG04887","N-Acetyl-D-tryptophan",211.77,245.092717163018,2411.05329125379,13934.2881008382,11889.2088139174,5579.80961335085,7083.71562277079,228211.558971034,356201.043575208,430735.213755035,399360.66639651,343001.25101549,8179.61508842621,351501.946742655,5.42535591399291,{"v":9.00622815581917e-06,"d":"9.01E-06"},0.000101473195317328,0.187000358108439]
["NEG05027","Tryptamine",192.316,159.091440742652,648228.904428931,547124.202231414,581825.340321204,702775.101444755,622110.258047524,2596652.53625138,3430248.74840157,4122031.26315778,4510803.90586386,3697278.28341191,620412.761294766,3671402.9474173,2.56503119656489,{"v":1.41440632836722e-05,"d":"1.41E-05"},0.000141535559435941,0.557233495750673]
["NEG06202","Asparaginyl-Tryptophan",31.5874,317.119649642799,2183233.65003565,1938280.06345796,1662142.08757538,2540363.41351265,1554582.48628871,370643.242126724,326843.559449427,308332.123373632,293838.336531379,323743.462447433,1975720.34017407,324680.144785719,-2.60528768328029,{"v":1.55986758526028e-05,"d":"1.56E-05"},0.000150655976334945,0.409167416142991]
["POS04267","alpha,beta-Didehydrotryptophan",101.4622,203.08076183638,359234.520137512,837688.402362775,788334.326802146,468197.106270571,621303.638509015,4489808.87187024,8593440.12594583,8702720.87036362,8671522.42044629,7771545.97129752,614951.598816404,7645807.6519847,3.63612413689799,{"v":2.47583488246103e-05,"d":"2.48E-05"},0.000207775036196026,0.840264037348346]
["POS00177","Kynurenic acid",213.27,190.049174821468,2097345.82261644,1215741.70894612,147437.673046302,2248339.62276785,120674.146448555,7954936.25599521,12858903.4506207,15384466.8715899,14656465.0800361,13501829.1738302,1165907.79476505,12871320.1664144,3.46463442999939,{"v":2.90117419289878e-05,"d":"2.90E-05"},0.000233543393740826,1.08774422521952]
["NEG06097","Serotonin",32.2632,175.090527724839,183769.081535823,272004.967097877,342697.215852098,249115.786327876,386232.375898391,1100360.62343244,424114.201565999,996323.078390309,675041.465330478,618768.480299247,286763.885342413,762921.569803695,1.41167140770828,0.00632111414333294,0.020124087945287,0.199926733324852]
["POS04646","N-Acetylserotonin",238.6915,219.112081689243,19007.4211974012,40384.3872743154,36017.140489384,35505.2765543213,10880.1722397148,55876.2638020408,217164.302105388,229285.024732305,174673.654575014,185838.537689734,28358.8795510273,172567.556580896,2.60528881887395,0.00175393641552097,0.00673168629237163,0.113550304957801]
["NEG05389","L-Kynurenine",154.222,207.076629979838,649961.965154647,708945.37043377,792493.235157217,651142.032146314,756387.295831572,90897.2304623825,120346.81988836,125074.882543575,103004.925318262,125403.879153967,711785.979744704,112945.547473309,-2.65581611785399,{"v":3.2681209712742e-08,"d":"3.27E-08"},{"v":3.39960583825802e-06,"d":"3.40E-06"},0.251265886890293]
["NEG05202","L-Formylkynurenine",175.2435,235.07181511851,16145.067783112,17789.5004809033,13692.6934531874,16819.1787454118,13946.4060689314,318348.17690994,186341.639671482,190297.141861536,235974.377823926,200125.74775933,15678.5693063092,226217.416805243,3.85084418635737,{"v":2.72206264286707e-05,"d":"2.72E-05"},0.000223791155317532,0.145329053140065]
["POS07917","4,4''-bis(N-feruloyl)serotonin",34.93355,703.267193103014,2843575.77987881,2582552.68621785,2188472.58928157,3778937.91027702,2095239.27165406,19929.0639715288,51783.5129863513,16612.8789301399,21231.2920557016,0,2697755.64746186,21911.3495887443,-6.94393752292224,{"v":2.09193523751724e-05,"d":"2.09E-05"},0.000186028356211027,0.520841725095635]
["NEG00688","2-Aminomuconate",672.716,156.028903765127,349755.935822454,388151.598433037,323445.375145096,224557.772548127,272868.252944902,1594766.70684486,1373950.64269671,1846076.26616751,1319136.74565712,1599694.83811974,311755.786978723,1546725.03989719,2.31072850731106,{"v":1.49977934845815e-06,"d":"1.50E-06"},{"v":3.05048674020462e-05,"d":"3.05E-05"},0.358373927160138]
["NEG05718","2-Amino-3-carboxymuconate semialdehyde",37.516,184.02403404817,0,0,7409.25818795899,0,0,83249.8447078259,260011.955147835,224473.633909114,213741.227386635,285491.654927006,1481.8516375918,213393.663215683,7.16997251253272,0.000303336723083474,0.00154888717163513,0.143056328509151]
["NEG06632","Phosphoenolpyruvate",25.8302,166.973826510264,2197721.87867945,2411176.61522497,1627392.35740098,2146407.50131573,1846525.90678201,575466.591705506,952561.082532478,865793.771082465,605188.264354663,875506.081649521,2045844.85188063,774903.158264927,-1.40060881213375,{"v":4.21977168834316e-05,"d":"4.22E-05"},0.000315109161301485,0.354282781594611]
["POS04206","D-Erythrose 4-phosphate",28.2665,201.015332126902,1279169.16063031,534987.744565009,428666.097322589,1012349.87328786,843187.230245676,110854.748118171,516665.000211708,125911.773269331,469253.088367779,195343.268084583,819672.021210289,283605.575610314,-1.53116085774227,0.0167935315838047,0.0464548341214338,0.198594668121055]
["POS03945","2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid",34.33695,192.086067741861,1068312.47390097,1176978.09395288,1017863.35113459,1270159.75798292,1083841.25881714,425086.809365235,545369.638192962,313447.028895167,590123.765840816,684927.96454457,1123430.9871577,511791.04136775,-1.13428470277601,{"v":5.43275273963725e-05,"d":"5.43E-05"},0.000379106131113844,0.246382300729886]
["POS07072","3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide",399.1345,398.264986148121,173422.782785426,181019.994371447,260187.756464089,197247.312465342,210567.09060199,0,11302.2160149681,29204.5160920059,8679.8395063436,8571.24660781406,204488.987337659,11551.5636442263,-4.14586309332538,{"v":2.14351822835443e-06,"d":"2.14E-06"},{"v":3.78970633811438e-05,"d":"3.79E-05"},0.142159183162476]
["POS02539","2-Aminoquinoline",291.111,145.077537283515,27898.4926142135,59380.0928421151,32248.0116479648,31905.8122470954,22096.2770532369,2941262.4277293,5884900.39883049,5863286.49294173,5558164.78220813,5110545.28216546,34705.7372809251,5071631.87677502,7.19113204379269,{"v":1.64581097481458e-05,"d":"1.65E-05"},0.000154739074867609,0.713461828822281]
["NEG05121","4-Hydroxy-2-quinolinecarboxylic acid",187.371,188.034269168204,106565.127078582,109017.498561828,82386.1318348212,101933.369009886,101739.092438903,1896280.73750243,2966565.68670332,3509386.44657244,3532726.03498671,3106679.42913062,100328.243784804,3002327.6669791,4.90328173109586,{"v":1.03065701866166e-05,"d":"1.03E-05"},0.000112717086661946,0.544281576555389]
["POS06813","Quinoline-3-carboxamides",326.145,360.111686420316,0,0,0,0,0,534052.32617991,664095.491594581,855504.892168406,588442.104455986,706489.704502861,1,669716.903780349,19.35319185684,{"v":1.96799563037375e-06,"d":"1.97E-06"},{"v":3.59299773659665e-05,"d":"3.59E-05"},0.263357748899899]
["POS00033","Isoquinoline",203.679,130.064761833995,372412.822220198,498195.803732921,964595.48913121,247483.4541637,999203.671127388,47830790.8307642,59982951.8955933,61832872.2655184,68487791.5778354,59474432.2333626,616378.248075083,59521767.7606148,6.59345761383825,{"v":1.09184587860015e-07,"d":"1.09E-07"},{"v":6.69017344517601e-06,"d":"6.69E-06"},2.48238075974714]
["NEG00043","Xanthine",44.7537,151.024786029399,3258012.44699101,4088834.72663229,2986308.80751584,3151126.23544297,3170807.02957967,591353.948819615,1271831.37322246,1213388.72951888,1081326.33399851,1064237.78375479,3331017.84923236,1044427.63386285,-1.67325055006127,{"v":8.42954490618848e-06,"d":"8.43E-06"},{"v":9.6187128483115e-05,"d":"9.62E-05"},0.482221013729342]
["POS00011","Valine",38.8809,118.086129672516,71416168.8620063,70930896.3813107,41923437.0662404,61394949.637595,39631366.8626557,329785255.811289,494868144.376667,557207644.37719,502110630.468699,482918063.634809,57059363.7619616,473377947.733731,3.05245693441636,{"v":4.92132216963574e-06,"d":"4.92E-06"},{"v":6.6098476665465e-05,"d":"6.61E-05"},6.5397181255532]
["POS00312","Val Asp Gly",44.22905,290.133572132731,128405.96824366,161885.086622521,110436.951511787,112491.315012458,139547.323387047,2206799.99120906,6081771.5896439,3824792.02655604,5142245.22796318,3642342.26686547,130553.328955495,4179590.22044753,5.00065035284388,0.000294046277910453,0.00150833601042827,0.619620231961704]
["NEG00052","Uridinediphosphateglucose",28.6079,565.047220701244,11633567.8810957,13442492.3926743,10441019.5036682,10503854.9754553,11237881.2489762,726996.923296168,1369601.49524414,1388997.70254538,1100077.9739469,1274430.83470574,11451763.2003739,1172020.98594767,-3.28849943602059,{"v":7.93219957913773e-08,"d":"7.93E-08"},{"v":5.54386386210673e-06,"d":"5.54E-06"},1.03453796764651]
["NEG00070","Uridine 5'-diphosphate",27.8104,402.994495805338,3925005.12315364,3014551.0166863,3709520.04180278,2917556.75640102,3191455.24442876,841798.301285752,1171964.4473727,1318261.13639584,1112630.45901173,824727.034049807,3351617.6364945,1053876.27562317,-1.66915206558052,{"v":6.16171439827236e-06,"d":"6.16E-06"},{"v":7.71242276363498e-05,"d":"7.71E-05"},0.484010652490411]
["NEG00045","Tyrosine",44.4795,180.065457178064,2374856.8881032,1990393.03817782,1637223.0995858,2454918.15741706,1752769.09243351,5825305.43986627,8558863.48377275,9686125.49139883,9250161.7638655,8660017.42802337,2042032.05514348,8396094.72138534,2.03971292928797,{"v":1.63169121901301e-05,"d":"1.63E-05"},0.000154630398784856,0.803909645910415]
["POS00360","Tyr",95.6844,182.080604788445,3746239.15473568,3469865.86762825,2873003.49916907,3945240.64256363,2291070.86278388,9622611.05216393,17853578.5653895,16781844.6027536,18729322.2334809,14636445.3383897,3265084.0053761,15524760.3584355,2.24937898345829,{"v":7.54209826466892e-05,"d":"7.54E-05"},0.000499050377779054,1.09859744171134]
["POS00347","Trp Ala Met",204.1035,407.169910975791,0,6633.3275618692,0,0,0,3195824.5389062,4607889.02794344,5546567.05271291,5029333.9766016,4539780.15320212,1326.66551237384,4583878.94987325,11.7545485560663,{"v":2.55572136112904e-06,"d":"2.56E-06"},{"v":4.24816401634305e-05,"d":"4.25E-05"},0.687419260996447]
["POS00233","Theanine",36.4793,175.107187618627,1030205.78222302,1026590.61734594,1682954.53575198,946221.835465043,1932429.26168414,19473647.8399002,31818044.910116,35636099.3361316,31601007.8722293,31022246.5465834,1323680.40649402,29910209.3009921,4.49801126542559,{"v":6.19652200091633e-06,"d":"6.20E-06"},{"v":7.71242276363498e-05,"d":"7.71E-05"},1.71106995258713]
["POS00302","Sulfapyridine",40.48985,250.060996278696,988588.557091169,971923.203020357,792557.227828815,871071.206935377,1273276.07969078,3102452.29258797,6329732.71248786,4046050.11398907,4671783.56035721,3607037.22876485,979483.2549133,4351411.18163739,2.15139061540637,0.000330316537543506,0.00166673737780804,0.564589720806051]
["NEG00007","Sucrose",34.7826,341.108573195555,209096474.973521,214020602.592928,200777347.043893,205774835.518534,191856800.905809,20747236.0060763,26104154.8299965,30002087.7879137,29447694.1126396,26969391.5845389,204305212.206937,26654112.864233,-2.93829593997597,{"v":9.41767786507115e-11,"d":"9.42E-11"},{"v":8.38516793736945e-08,"d":"8.39E-08"},4.33351553180517]
["POS00118","sn-Glycero-3-phosphocholine",31.9273,258.109233184358,2188398865.11254,2228107762.61062,2104441651.96884,2107310489.12793,1825138747.03408,757309445.278896,916437891.976486,953817573.729568,871761687.613913,951241532.839373,2090679503.1708,890113626.287647,-1.23191049843094,{"v":3.59807016601372e-07,"d":"3.60E-07"},{"v":1.26661281433478e-05,"d":"1.27E-05"},11.1970305966612]
["NEG00095","S-methyl-L-Thiocitrulline",192.285,204.079201860592,91858.1354196981,109514.31438232,114717.834637644,106297.806199001,81218.1326632806,9506831.67608443,12993015.9922636,15334589.0445786,16025204.463533,13712725.8779722,100721.244660389,13514473.4108864,7.0679934720309,{"v":2.48910906386892e-06,"d":"2.49E-06"},{"v":4.1733839515031e-05,"d":"4.17E-05"},1.17682403544105]
["POS00250","Sarcosine",30.9776,90.0552313565389,19457779.9058593,15639115.1472051,14429498.2450039,15296648.6154211,14102733.0587381,270607622.860455,358323480.740128,399946056.016244,358734525.536018,364108844.445827,15785154.9944455,350344105.919734,4.47213229332657,{"v":2.79617814788502e-07,"d":"2.80E-07"},{"v":1.06900041499912e-05,"d":"1.07E-05"},5.91282505006055]
["POS00065","S-Adenosyl-methionine",31.9676,399.14309936073,2489110.3877778,2367018.5312502,2678810.01711792,2880868.44052086,2100263.45804856,10577817.9587255,12799772.8711032,13994426.9158611,12459811.995489,14122223.5692645,2503214.16694307,12790810.6620887,2.35325406916923,{"v":2.69897315393469e-07,"d":"2.70E-07"},{"v":1.0407333549612e-05,"d":"1.04E-05"},1.03682147213981]
["POS00243","Pyroglutamic acid",45.00015,130.049568788298,7458450.98689153,7071433.16482162,7814556.49062145,6784402.00108403,8296274.19264908,12805879.8274093,15965164.9458006,18695715.4263989,18626538.9783103,16014081.8646576,7485023.36721354,16421476.2085153,1.13350509870942,{"v":4.33807137018683e-05,"d":"4.34E-05"},0.000319673694214921,0.947063227108407]
["POS00216","PS(16:1(9Z)/0:0)",436.0745,496.265544474174,6065466.79868429,6526720.07375216,7882606.85171406,6524756.47465899,6050483.31462555,1686438.5390717,3091913.94799043,2935162.60051523,5578082.36758183,2913085.8195662,6610006.70268701,3240936.65494508,-1.02824091162234,0.00157285818719956,0.00612839257085684,0.560574538123997]
["POS00326","Pro Pro Pro",175.229,310.174912355546,487156.83549668,293273.31853735,551159.97855164,652255.892396226,402853.345605158,454460.6913731,1132586.47835536,1166847.30313399,1304846.70380483,1098017.44234945,477339.874117411,1031351.72380335,1.11144766095294,0.00871561053558602,0.0264843246777692,0.211963149928034]
["POS00047","Piperidine",94.09635,86.0967497049654,2128930.08571163,1146215.63622829,1171084.53540707,1044302.44581168,939728.668977614,1896806.03466248,3147958.45488971,6251480.51541202,3513683.51508157,5086107.50073941,1286052.27442726,3979207.20415704,1.62953173922234,0.00937087038778522,0.0282072027217788,0.477286253692957]
["NEG00088","PG(18:1/11,12-EET)",533.276,811.514985265012,2569985.05415237,2036516.79576312,2064389.3906546,3142471.90675046,2102021.88046504,194560.045528674,371340.65351346,498148.468914434,327036.165969291,305143.002925928,2383077.00555712,339245.667370357,-2.81242327511455,{"v":1.42679049935102e-05,"d":"1.43E-05"},0.000142210785836917,0.455254076210689]
["NEG00082","PG(16:0/0:0)",416.066,483.272487739917,296190.432639803,381882.594242609,337051.355643959,337388.739478365,297776.924487666,1114383.97787717,1252169.92398046,1892194.34461275,1569856.49900464,1423834.26806779,330058.00929848,1450487.80270856,2.13574665129525,{"v":3.44400373117267e-05,"d":"3.44E-05"},0.000266522987708224,0.335620706575781]
["POS00225","PE(12:0/0:0)",361.714,398.228868892308,958579.71910894,1077578.61184546,1496758.50387449,1020743.20172507,1071943.9682511,34071.921480022,84683.5320392076,208840.613853385,275684.875285418,184554.697996934,1125120.80096101,157567.128130993,-2.83604141345344,{"v":1.53698881848262e-05,"d":"1.54E-05"},0.000149131257810689,0.316055284166891]
["POS00203","PC(18:4(9E,11E,13E,15E)/0:0)",414.403,516.304621933359,7484654.57384866,7574782.70181596,7354171.07038231,7093555.50551585,6931172.82113876,2265920.55651264,3219595.53484926,4692619.93938365,3634574.49605073,3802082.96746221,7287667.33454031,3522958.6988517,-1.04866954328914,{"v":1.70483759476155e-05,"d":"1.70E-05"},0.000158210343596855,0.61524239668248]
["POS00206","PC(15:1(9Z)/0:0)",395.409,480.306998798041,732909.787234382,727730.586178541,972823.985563153,760382.330759995,557250.401185302,64192.7151200556,70945.9364128771,167821.468626426,348544.506122642,176640.232353801,750219.418184275,165628.97172716,-2.17935755492797,0.000115623252278251,0.000709441436818402,0.242331019033679]
["POS00251","PC(14:2(Z)l8,8/0:0)",377.492,466.291378867044,8136556.88783698,7219270.30846007,10400999.664814,9172464.1963014,7255399.55237535,243117.534182581,306555.795477516,550621.657838097,415864.755248246,413562.02665888,8436938.12195756,385944.353881064,-4.45025476317388,{"v":1.02462513460676e-06,"d":"1.02E-06"},{"v":2.42222703370621e-05,"d":"2.42E-05"},0.920846191754743]
["POS00032","PC(14:0/0:0)",401.561,468.307033926924,6452420.87777088,7095605.79223897,8010929.34558986,6606564.77878876,5944885.96325321,597074.618897238,803982.229854295,1018773.58161207,851795.058955125,840727.728580322,6822081.35152834,822470.64357981,-3.05217586800499,{"v":1.54995108790977e-07,"d":"1.55E-07"},{"v":7.45476474862409e-06,"d":"7.45E-06"},0.797321446127858]
["POS00271","PC(0:0/12:0)",363.584,440.275736112263,7124336.65490781,7082951.99828367,9399059.4463444,7137415.38291273,7100730.18126049,621960.654421735,631708.732447086,1049287.31335554,1078684.0637682,698690.640625598,7568898.73274182,816066.280923632,-3.21332516698768,{"v":5.28218080577054e-07,"d":"5.28E-07"},{"v":1.62946170649735e-05,"d":"1.63E-05"},0.843714510001532]
["NEG00028","Oleic Acid ethyl ester",599.701,309.279633225488,16905773.5685967,15666711.742664,14322045.1239979,13134807.3353872,13657307.8415168,55771978.4378745,75679691.2803066,80935034.60137,94515209.5310554,65160774.702095,14737329.1224325,74412537.7105403,2.33607063495213,{"v":1.94383482710761e-05,"d":"1.94E-05"},0.000175842015574614,2.45202372230619]
["POS00112","Nicotinate D-ribonucleoside",37.2763,256.080627596931,20880218.9040851,16356102.0429203,16425352.0506025,23133574.1165743,11536559.4388564,43963969.8633669,64999784.4754516,63196496.5164975,58017645.475177,69567996.249443,17666361.3106077,59949178.5159872,1.76273506175696,{"v":2.31177745001671e-05,"d":"2.31E-05"},0.000198857317960091,2.06749886156295]
["NEG00101","Nicotinamide adenine dinucleotide",37.1657,662.101791849362,4828683.87679594,4821904.82248452,4618206.85943685,4728289.45190782,4546095.14227149,1333684.64367474,2348464.6252898,2836205.09637201,2252622.91211958,2525424.91764458,4708636.03057932,2259280.43902014,-1.05944584902147,{"v":1.24714144409968e-05,"d":"1.25E-05"},0.000129131103691154,0.497054071053985]
["POS00269","N-epsilon-Acetyllysine",37.5918,189.122714051837,32343580.6080151,28998340.009509,23780983.5802426,27891824.9415604,30712332.2853771,2025449.97645555,2189957.72875342,2358730.28500293,2108008.06081483,2084733.44002048,28745412.2849408,2153375.89820944,-3.73865963620852,{"v":8.24686780774552e-08,"d":"8.25E-08"},{"v":5.58912722788572e-06,"d":"5.59E-06"},1.65469078182938]
["POS00141","Nalpha-Acetyl-L-arginine",37.3933,217.128872834719,3732284.11801754,3672748.17834091,3807553.16612444,3651841.89416763,3805604.49842291,9267303.17764125,14009790.0529724,15401500.8026263,14397272.630227,11337290.2669957,3734006.37101469,12882631.3860925,1.78663101195425,{"v":3.9229539323519e-05,"d":"3.92E-05"},0.000297918046509508,0.954161797860149]
["POS00010","N6-Methyladenosine",37.4211,282.118677195905,13755108.7329506,11806748.908138,11877580.507556,14480199.2148562,10504966.1487738,3263687.84331865,4354256.46251298,4490074.65819336,4270367.9782296,4231200.42139472,12484920.7024549,4121917.47272986,-1.59879913281183,{"v":3.81127642931964e-06,"d":"3.81E-06"},{"v":5.60631123256579e-05,"d":"5.61E-05"},0.927438667680077]
["POS00223","N2-Succinyl-L-ornithine",93.7027,233.112381103469,655227.249320056,857839.725709793,886121.055334481,578632.792410511,868650.857874945,6753186.28427742,11308883.1372345,12570000.8199967,12093220.3719075,10125183.5335033,769294.336129957,10570094.8293839,3.78030882300845,{"v":1.33793958709418e-05,"d":"1.34E-05"},0.000135398275408875,0.996463916796664]
["NEG00035","N2-Acetyl-L-ornithine",36.3988,173.092024415093,215664.915285496,204962.166687335,234562.865891923,129913.309625704,185464.911685508,572773.502717799,1621494.97416233,2059671.35942881,1673619.52932879,1780139.74714558,194113.633835193,1541539.82255666,2.98939880265647,0.00073105840657096,0.00319338305917178,0.356305278920998]
["POS00035","N2,N2-Dimethylguanosine",190.157,312.12913587896,4592486.69998102,5530855.68792151,5089763.14585908,4562084.82908421,4019728.08403448,346916.563475161,876900.521219742,937376.078824425,775003.034947044,913701.725539187,4758983.68937606,769979.584801112,-2.62776141002435,{"v":5.59271632399275e-07,"d":"5.59E-07"},{"v":1.65965177994505e-05,"d":"1.66E-05"},0.646905072526175]
["POS00222","Met Met Met His",37.009,549.195854328981,40911.9916239079,0,20297.1824504422,0,16970.6442174642,474542.364512498,794881.660281671,627726.044982694,395641.556451213,591807.628310148,15635.9636583629,576919.850907645,5.20543086343207,{"v":3.81136715618721e-05,"d":"3.81E-05"},0.000290430073077093,0.236522445667488]
["POS00139","Met Asp Ser",34.0559,352.116038640455,12621847.1479685,13350488.9740132,13482368.0017582,9981401.04582174,15861483.3674139,26365898.8424671,43516858.4881472,39611383.2572648,43842520.5961829,34484381.4202142,13059517.7073951,37564208.5208552,1.52425708632186,{"v":9.25121632123399e-05,"d":"9.25E-05"},0.000592846570270482,1.55207961641154]
["POS00327","Melibiose",34.9421,360.148716548427,490260052.304223,421083660.348853,383101133.695459,560231287.831876,370668879.808048,63168495.7188467,67234812.2931696,55404896.7733895,56525785.28475,53750185.3694701,445069002.797692,59216835.0879252,-2.90994973540072,{"v":4.66604151244125e-06,"d":"4.67E-06"},{"v":6.42151951002866e-05,"d":"6.42E-05"},6.29088388240133]
["POS00143","LysoPE(16:1(9Z)/0:0)",415.596,452.275658103299,57722164.9816801,60776445.8270876,62099729.1827297,56103348.1128116,52105511.266121,14149685.7019086,18227778.7516816,25363408.322867,21928740.5929753,20698101.6305332,57761439.874086,20073542.9999931,-1.52481142983595,{"v":4.70909664485274e-07,"d":"4.71E-07"},{"v":1.4938857654203e-05,"d":"1.49E-05"},1.98577714994206]
["POS00174","LysoPC(16:1(9Z))",414.4,494.322587619606,191959026.70359,213690318.447311,211270429.960713,195754963.761642,194544513.713789,61127392.0565716,88682455.935497,127710069.402597,110210329.094369,100689264.811089,201443850.517409,97683902.2600247,-1.04418502583615,{"v":2.5532049326151e-05,"d":"2.55E-05"},0.000212671986286543,3.2373623380031]
["NEG00034","L-Saccharopine",28.3453,275.124602418377,9938880.74333199,10651638.6265529,8427500.52785342,11201593.2947272,11415765.423461,927418.549826942,1254480.43395472,1272772.48181752,1151415.30171107,1228463.8330775,10327075.7231853,1166910.12007755,-3.14566644133982,{"v":1.54305962783636e-07,"d":"1.54E-07"},{"v":7.45476474862409e-06,"d":"7.45E-06"},0.973756310182822]
["POS00214","L-gamma-glutamyl-L-valine",174.1475,247.127850468795,178156.88151868,111608.991070379,192883.277200006,72076.4342787227,101866.507984795,1312032.3664254,2057490.8588585,2036692.6872763,2219472.75612242,1871458.7686329,131318.418410517,1899429.4874631,3.85442497129021,{"v":3.74227853491684e-06,"d":"3.74E-06"},{"v":5.56119996235316e-05,"d":"5.56E-05"},0.425763578153368]
["POS00348","L-Arginine",29.0373,197.100255328119,237366.529236608,330595.265191558,277305.229546791,201146.620926213,173525.268071082,16101231.2389624,19692732.7381305,18861110.1059434,18629185.5492505,17222682.1510748,243987.78259445,18101388.3566723,6.21314763614329,{"v":2.91629550037806e-09,"d":"2.92E-09"},{"v":1.00342998255316e-06,"d":"1.00E-06"},1.3696174552205]
["POS00241","Kojibiose",34.0667,325.111736068093,117943372.103018,160547873.202968,141487301.324289,132131385.047897,108527941.936404,38388096.4986558,72437041.4592541,49186083.7181836,78878570.4485456,47125923.5727825,132127574.722915,57203143.1394843,-1.20776525914773,0.000245992976127813,0.00130062243761195,2.73286761518307]
["NEG00113","Khayanthone",373.602,569.272935313864,2458497.60608397,2473024.6135463,2801502.01165849,2640654.64095935,2492839.41592955,589494.948579237,518963.822220249,828714.019655171,549235.99430243,595497.125502299,2573303.65763553,616381.182051877,-2.0617269869526,{"v":1.42188917925333e-08,"d":"1.42E-08"},{"v":1.93462988382426e-06,"d":"1.93E-06"},0.455233620693612]
["POS00080","Isopentenyladenine",37.55555,204.12239302505,167923276.354771,172205478.899857,140840283.013508,150095194.943803,145111970.591071,41326212.3638966,61828639.2062865,69568825.7482265,60399987.4188422,58461470.0935782,155235240.760602,58317026.966166,-1.41246703114962,{"v":1.64469700907207e-06,"d":"1.64E-06"},{"v":3.25519014229175e-05,"d":"3.26E-05"},3.14923199466912]
["POS00074","Isoleucine",74.8864,132.101557741012,25077647.7461998,10371546.1201221,8710970.38046792,9975406.49050853,21129358.6142309,47915857.995857,30404517.5360912,60295306.8359839,28614043.8884225,51102585.5447192,15052985.8703059,43666462.3602148,1.5364759713415,0.00347344437643126,0.0121380599185758,1.62242765528995]
["POS00110","Idazoxan",203.657,205.096463570434,3181340.86300586,3379131.43282773,3040536.9413144,3664991.840894,2968303.00131705,7490073405.87923,10533636611.7784,11513665397.2103,12620870413.708,10758407179.6881,3246860.81587181,10583330601.6528,11.6704605568158,{"v":1.69491198769544e-06,"d":"1.69E-06"},{"v":3.31062939779986e-05,"d":"3.31E-05"},33.0804199271759]
["POS00075","Hydroxymethylphosphonate",33.40305,112.999759400114,23238535.2126505,31593148.7641763,26609864.7560029,23350998.8567402,21566580.2638389,6133349.79675056,11693782.4763212,14778487.3177119,14017554.618277,11983474.325219,25271825.5706818,11721329.7068559,-1.10839364137301,0.000405786397237871,0.00197721411203159,1.14426071853176]
["POS00237","Hydralazine",291.113,161.082974595635,40610.322631843,18944.6063901189,51546.518330065,37186.0141107093,25476.9723493577,3386785.262817,4433561.89056756,4822132.05928615,4110436.30722775,4252478.34007812,34752.8867624188,4201078.77199532,6.91748320613867,{"v":1.08518210999309e-07,"d":"1.09E-07"},{"v":6.69017344517601e-06,"d":"6.69E-06"},0.66020584060035]
["NEG00021","Histidine",34.4275,154.060826380478,3381848.20117956,3930366.9511728,4478564.22488013,1618613.36189652,4094727.5264946,37235894.837629,63583179.0094204,65477047.2178182,65575848.1993422,60397311.4197339,3500824.05312472,58453856.1367887,4.06153174018615,{"v":7.55274567778391e-06,"d":"7.55E-06"},{"v":8.91383414689378e-05,"d":"8.91E-05"},2.36904261537522]
["POS00091","Guanosine 5'-monophosphate",37.6134,364.063797562909,904554.265385303,686357.780650553,724679.307270839,1396145.03409657,754968.787173071,77860.500181445,516935.742494905,367989.744561531,334741.481284678,436651.446091492,893341.034915267,346835.78292281,-1.36495828395428,0.00668484192042952,0.0210720915504449,0.21473161617884]
["POS00137","Glutamic acid",32.1959,148.059881047534,671459248.792314,641950430.70577,581106582.021248,733654487.063998,719806560.166144,1423715971.45233,1881560638.8906,1891315001.58954,1788934287.55837,1799034499.43931,669595461.749895,1756912079.78603,1.39168034211002,{"v":2.06732359273031e-06,"d":"2.07E-06"},{"v":3.72868485092044e-05,"d":"3.73E-05"},10.6108759253006]
["POS00310","Glu Trp Trp Asp",204.252,635.243956348139,0,0,9654.78643246161,0,0,268707.047851586,356993.029632984,187640.480008076,481762.341166784,287809.10708488,1930.95728649232,316582.401148862,7.35712099622004,0.000215020141140095,0.00116604244587068,0.17373383935486]
["POS00344","Glu Thr",35.93955,249.107256931166,3048961.36590539,3663797.10494056,3614112.22571871,2414445.40852964,4637510.56897254,8541156.42454325,11567339.0986604,12031489.3541484,11901016.7161591,10562200.7941079,3475765.33481337,10920640.4775238,1.65165488296204,{"v":8.57781896834142e-06,"d":"8.58E-06"},{"v":9.73821935162212e-05,"d":"9.74E-05"},0.872235480159726]
["POS00284","Glu Phe Cys",232.016,398.136689942276,38145.3936987188,4663.98812542876,0,28423.0449886712,0,46775.820128776,139577.687335794,130151.974434624,52530.3907042951,146783.978821154,14246.4853625638,103163.970284929,2.85626124926828,0.00526219174313639,0.0173071938728302,0.0877855445390569]
["POS00190","Glu Phe",216.787,295.127798128513,29091.3075783716,5186.70504218103,13807.2610348842,5579.89895025175,18742.7688946923,195575.401903621,334578.152592945,354238.474391873,274659.618656225,303902.741275276,14481.5883000762,292590.877763988,4.33659304366614,{"v":9.23479033918237e-06,"d":"9.23E-06"},0.000103255579461674,0.168606432140786]
["POS00317","Glu Gly Met Asp",141.038,451.147651034118,0,6404.28405665008,0,7023.01836041312,6341.81146900889,25897.9510932625,205394.251326053,242468.866008386,248174.527767239,72777.463763982,3953.82277721442,158942.611991785,5.32911394173354,0.00976910548500219,0.0292484664219644,0.11113919746715]
["POS00338","Glu Cys Met Ala",220.722,453.142380181052,0,0,0,0,0,1643294.40720461,2313219.71595978,2490831.84297508,2281106.94219815,2331075.77924648,1,2211905.73751682,21.0768584743748,{"v":3.70053788246148e-07,"d":"3.70E-07"},{"v":1.27326968832694e-05,"d":"1.27E-05"},0.480338807012587]
["POS00242","Glu Cys Glu",117.504,380.11083924808,276875.262812967,504858.407436752,396360.555055964,510608.751415535,541188.634965407,957670.183656445,1910380.53553354,2116715.65783426,1961259.52516946,2078233.2449083,445978.322337325,1804851.8294204,2.01683491100754,0.000270847217923462,0.00140708432726091,0.362582409339702]
["POS00149","gamma-Glutamylglutamine",36.2067,276.118025025549,3977086.67144168,3099053.56871181,3712055.26261436,3108814.20022363,4449772.32540985,10784258.0776916,12796746.3307834,13469878.1897607,12323088.0333581,12147851.9358959,3669356.40568027,12304364.5134979,1.7455712025952,{"v":1.59337919301895e-07,"d":"1.59E-07"},{"v":7.58211184082315e-06,"d":"7.58E-06"},0.952084268764033]
["POS00106","Galactotriose",34.8689,505.174796724358,16124903.2939605,21992571.7115856,18478221.0245046,17625196.1694838,14330649.5600943,524712.787579667,1506811.54976915,1210912.71507236,1426766.52130396,856145.37486442,17710308.3519258,1105069.78971791,-4.00237994113589,{"v":1.29222617549783e-06,"d":"1.29E-06"},{"v":2.75556365047947e-05,"d":"2.76E-05"},1.31967707827485]
["NEG00060","FRUCTOSE 1,6-BIPHOSPHATE",25.009,338.988282947268,20827529.4658104,25218065.1783993,18478668.2876046,19362309.3598915,17881876.1550265,5918954.05449648,9915492.48501124,13592019.5979971,11549736.4915151,9551819.25433252,20353689.6893465,10105604.3766705,-1.01013474176035,0.000501031568015724,0.00234671644370087,0.982751207437824]
["NEG00114","FAHFA 36:1",547.588,563.504082540296,9311261.14325453,10089178.0638818,9723848.82081468,9793242.54475762,4280110.5132743,26611219.1707667,31924280.7340443,39246062.8696734,33899333.4364616,37877633.2135416,8639528.21719659,33911705.8848975,1.97275892139165,{"v":7.94505006671168e-06,"d":"7.95E-06"},{"v":9.24550651189186e-05,"d":"9.25E-05"},1.60625583577414]
["NEG00041","Eicosa-5Z,8Z-dienoic acid (20:2, n-12)",560.951,307.263999866321,3570840.57140217,3789411.70693829,3748162.94239653,3310452.08740229,3275131.79323407,8793233.80846694,12151679.3562833,11792670.9364599,16497347.8942585,10082668.3064379,3538799.82027467,11863520.0603813,1.7452000796708,0.000220926769271831,0.00119060896259386,0.89378179351708]
["POS00025","D-Ornithine",27.0384,133.096774770999,6845409.04821139,234301.269261638,324345.741463811,6903095.80461823,146524.64344669,12349951.8294166,15187025.2264654,16047983.1811737,15894036.6588068,12632002.5860923,2890735.30140035,14422199.896391,2.31878282806433,0.000218908285458489,0.00118258062905293,1.0590581210193]
["POS00189","D-Mannose 6-phosphate",31.7898,283.017951028671,13905667.4994618,19880410.7125951,16783493.4122657,17750202.3331492,11663981.1391923,6685518.66931937,8549431.13319057,7271939.11057452,6508760.84742909,7276056.55338577,15996751.0193328,7258341.26277986,-1.14006712565584,0.000378634729990578,0.001861135326646,0.930144260209534]
["POS00105","Diacetylmonoxime",32.1947,102.055033153497,17035728.6045377,16464817.9764519,15189616.223395,17669282.7877924,17871027.7873468,34533681.9255542,44475736.7688901,47332277.3415725,43802232.8653537,44379174.3698195,16846094.6759048,42904620.654238,1.3487188492596,{"v":2.65650863137615e-06,"d":"2.66E-06"},{"v":4.28973397405975e-05,"d":"4.29E-05"},1.64261927207085]
["NEG00027","D-Glycerate 3-phosphate",25.9823,184.984550669509,12884323.7564069,13903722.8143787,9592021.16090292,12999105.7675566,10890580.022073,3178242.26679744,6088205.16278562,5967066.0363462,4644611.41135504,5097235.76438973,12053950.7042636,4995072.12833481,-1.27092865423267,{"v":7.31875782091977e-05,"d":"7.32E-05"},0.000487880830595739,0.832028537335959]
["NEG00056","D-Glucose 6-phosphate",27.2821,259.021988558573,91577225.2264369,102469791.787062,80586203.1273613,95640636.9295615,70576855.8275978,22607651.0947956,27261280.9536169,27093168.8380946,24064982.8494541,25097520.1727932,88170142.5796039,25224920.7817509,-1.80544045409886,{"v":4.14627344969141e-06,"d":"4.15E-06"},{"v":5.94432087835566e-05,"d":"5.94E-05"},2.54756414566504]
["NEG00037","D-Glu",28.3457,146.044450355924,47431328.9792738,43167334.4225375,36198584.6324882,57469544.9895835,47243094.2570139,83577835.1713194,106949438.507708,112083541.728841,91119011.9923342,108629170.765,46301977.4561794,100471799.633041,1.1176449091439,{"v":3.39136408736586e-05,"d":"3.39E-05"},0.000263818635874565,2.34153554621316]
["POS00127","Cys Glu Arg",37.27515,407.169368192112,0,0,0,14971.5763794826,0,6425325.78126738,9881953.86654851,9931933.71966953,8576360.32936182,9358322.04494261,2994.31527589652,8834779.14835797,11.5267522225318,{"v":8.26354366841336e-07,"d":"8.26E-07"},{"v":2.13490589092527e-05,"d":"2.13E-05"},0.957313841736475]
["POS00130","Cyclobrassinin sulfoxide",28.7194,251.0297903514,963447.13796513,1452912.46664687,1399425.08890339,1213721.07073242,759032.662038005,18390506.9434029,23863702.4412907,26363219.6226198,26192773.8951474,22658115.5528931,1157707.68525716,23493663.6910708,4.34292877827598,{"v":3.34036187078632e-07,"d":"3.34E-07"},{"v":1.22470808590387e-05,"d":"1.22E-05"},1.52385049859021]
["POS00012","Citrulline",32.8559,176.102323473576,23376590.822514,26408210.4423979,29455877.2395824,24115392.0051912,24591675.9486274,124974315.420033,177556885.610846,166051141.709703,154000954.029522,152095178.885627,25589549.2916626,154935695.131146,2.59804291769349,{"v":4.70222752773874e-07,"d":"4.70E-07"},{"v":1.4938857654203e-05,"d":"1.49E-05"},3.6578147096398]
["POS00181","Cellotetraose",34.859,667.227031766185,12056163.5834842,16939678.268796,12541603.8465427,12364797.3798177,9845295.01983255,183803.485195532,597959.000123222,340548.955824999,594277.865840556,343467.571234098,12749507.6196946,412011.375643681,-4.95161355089274,{"v":5.25974808947851e-06,"d":"5.26E-06"},{"v":6.89937044112533e-05,"d":"6.90E-05"},1.12959498182609]
["NEG00103","Castanospermine",37.1368,188.091747142682,35975361.7722313,61412782.5882412,58637102.488283,26930383.5658862,69590139.6356276,334712.816756166,626816.131738351,875135.668164018,776670.703975354,635233.381993188,50509154.0100539,649713.740525415,-6.28059685123684,0.00027529792583484,0.0014259875696791,2.1883433109961]
["POS00151","Benzo[b]naphtho[2,1-d]thiophene",28.8182,235.055907967639,373938.214409645,514076.450780818,628538.416533452,378209.995000238,312555.466035525,17685407.1374166,21346279.4982349,22822861.5721461,22656264.133953,20299882.8856769,441463.708551936,20962139.0454855,5.5693472885169,{"v":2.06731668505695e-08,"d":"2.07E-08"},{"v":2.56864098118326e-06,"d":"2.57E-06"},1.46721446898777]
["POS00024","Asp Ser Asn Pro",34.6802,432.169778447421,1386637.3495609,832925.260193669,773156.472235143,840292.294123076,798159.830129686,3333051.42012769,5213790.7357473,6300383.17420255,4947289.80852247,4898383.7683583,926234.241248495,4938579.78139166,2.41464721948606,{"v":3.62405158092999e-05,"d":"3.62E-05"},0.000278490657375952,0.636109204465551]
["NEG00003","Arginine",32.6597,173.103184506733,884992.245427012,1017317.44435952,1230938.62744297,1357937.05594575,822962.599610703,71939796.9528883,87212725.5616804,89221759.513921,79051930.9542807,82912991.2605155,1062829.59455719,82067840.8486572,6.27083478688397,{"v":4.74462603373239e-09,"d":"4.74E-09"},{"v":1.24839483816971e-06,"d":"1.25E-06"},2.91982151613794]
["POS00164","Arabinosylhypoxanthine",165.293,269.087053636271,5816189.63796561,8861514.98143755,8674645.96383934,5610900.6905169,6555746.70138724,8156750.17905589,18573835.1036624,18464088.1240965,18836166.3231152,17105817.3608104,7103799.59502933,16227331.4181481,1.19176298087126,0.00286961260013411,0.0102768432028822,0.891298087485459]
["POS00066","ALPHA-AMINOADIPATE",37.2841,162.075507931935,13728426.0375628,10651709.7538549,9759210.3589617,9838647.08686968,10117137.2548582,29192691.7476417,34526390.0919197,38421854.6737975,41033445.5206845,33025049.8636134,10819026.0984215,35239886.3795314,1.70363863550488,{"v":3.86495037855342e-06,"d":"3.86E-06"},{"v":5.63124529096725e-05,"d":"5.63E-05"},1.58764268561107]
["POS00027","ALPHA,BETA-TREHALOSE",34.8696,365.104103773382,132137786.384287,140164516.139123,135052947.103228,123551905.36112,137712480.261572,55447542.4804099,67172053.7176927,65024680.1983345,72976528.7448879,60059406.9083482,133723927.049866,64136042.4099346,-1.06005038965064,{"v":1.63751414684103e-07,"d":"1.64E-07"},{"v":7.71010608296836e-06,"d":"7.71E-06"},2.69537647395284]
["NEG00096","adipic acid",36.917,145.04926211776,2077104.17399579,1942977.56668133,1830011.77297191,2130121.0311373,1863860.37586675,582121.425478899,813560.028815594,746152.869726263,832426.336308276,632231.160647317,1968814.98413062,721298.36419527,-1.44865948582467,{"v":2.04190299655447e-07,"d":"2.04E-07"},{"v":9.04300208276055e-06,"d":"9.04E-06"},0.360807227821342]
["NEG00064","Adenosine-3'-monophosphate",37.1221,346.055484901856,23491060.8682795,23536854.5521895,21377029.2712683,23130217.9514588,20318189.2232049,7501467.74294815,10723759.6122795,10102169.1647851,8910318.706598,8836581.56387487,22370670.3732802,9214859.35809712,-1.27957443774648,{"v":3.16868841420125e-07,"d":"3.17E-07"},{"v":1.18112860639352e-05,"d":"1.18E-05"},1.17188773379029]
["NEG00078","Adenosine 5'-monophosphate",70.7782,346.055478784308,2785294.55664508,1826508.68095164,1761211.82673381,2422151.91398268,1348647.67210872,697239.167602714,702247.310475987,705573.865535061,547293.575025936,662182.937436684,2028762.93008439,662907.371215276,-1.61372108950174,0.000714063201988517,0.00314061426007339,0.355619907435523]
["POS00048","7-alpha-D-Ribosyladenine 5'-phosphate",37.374,348.069109726522,103419770.203885,103926651.570028,100020678.966431,100955977.954766,88134883.5412502,32048938.1004411,46725868.2349011,37610166.0696035,38902938.4215867,35913837.1130887,99291592.447272,38240349.5879242,-1.37657584988806,{"v":2.08553476907725e-07,"d":"2.09E-07"},{"v":9.1139587421961e-06,"d":"9.11E-06"},2.53409868292067]
["NEG00042","6-Phosphogluconic acid",25.6185,275.016833425907,5689617.02802954,7700838.77185179,6386856.28978279,9395627.3161403,7593358.12570208,179358.327048076,323403.262850108,377833.989001225,333996.6718114,369213.001263681,7353259.5063013,316761.050394898,-4.53691704583115,{"v":3.94800658208733e-06,"d":"3.95E-06"},{"v":5.73256869911059e-05,"d":"5.73E-05"},0.853201167858878]
["NEG00104","5-L-Glutamyl-L-alanine",29.94155,217.082177453085,812501.692408222,985143.186944291,1567033.66856345,539635.341905314,1961137.19574869,5559076.94981851,9370884.50905081,10704083.384576,8864194.50321137,8712632.14085318,1173090.21711399,8642174.29750197,2.88108035900397,{"v":2.97937502386893e-05,"d":"2.98E-05"},0.000238830546268203,0.866843893884407]
["POS00099","4-Methylene-L-glutamine",32.8627,159.075859051816,3637903.16845716,4959117.7021679,6098779.72633811,3143596.12308133,4150789.92485698,59507302.6175365,82873222.1159946,76616083.8317882,71063322.5526588,70009032.6994055,4398037.3289803,72013792.7634767,4.0333414971937,{"v":1.27504186919598e-07,"d":"1.28E-07"},{"v":6.95519790355319e-06,"d":"6.96E-06"},2.65218561933126]
["POS00202","4-Formyl-antipyrine",222.653,217.096419571114,0,0,21983.9760688465,0,0,6703886.72330667,8959627.27183357,10778300.3477982,20357527.1851816,9319146.94795436,4396.7952137693,11223697.6952149,11.3178080970696,0.00149440208035827,0.00586870983796535,1.00936449794677]
["POS00072","4-Amino-2-methylenebutanoic acid",34.83545,116.070497747431,45709052.8365785,41825227.7033829,41010702.2962333,40276794.895427,40850191.3679769,95288024.1567435,105905827.496946,130179295.862162,123647633.977064,106756702.360849,41934393.8199197,112355496.770753,1.42186480071241,{"v":4.31930076961104e-06,"d":"4.32E-06"},{"v":6.0947105181294e-05,"d":"6.09E-05"},2.69281043315893]
["POS00290","3'-O-Methylguanosine",178.055,298.113500407041,28624826.1363291,30547400.3339294,26616250.7220091,26658621.1647483,22647045.932715,1280507.76935917,5448685.3506247,6097895.99446152,4552801.92165379,5423999.7790847,27018828.8579462,4560778.16303678,-2.56661323771696,{"v":5.4750699896513e-07,"d":"5.48E-07"},{"v":1.64362335998055e-05,"d":"1.64E-05"},1.52880379841432]
["POS00209","3-ketosphinganine",421.882,300.288599681095,1406331.18825469,627046.340482322,1615637.19917694,1533942.41563639,802615.71034395,2612461.93273639,4071438.94447066,3257862.04820605,4612245.83996823,3452625.44617501,1197114.57077886,3601326.84231127,1.58896730568092,0.000310976176742897,0.00158067777110338,0.476211830257988]
["POS00213","3-Buten-1-amine",39.0546,72.0812561076119,5828030.59127799,4903222.17180749,4828004.67258268,3924506.61530033,5065596.62543515,34144138.6699428,53403065.8486603,61659449.8292499,55518323.4347825,53466705.1171856,4909872.13528073,51638336.5799642,3.39468516907742,{"v":7.99913038252213e-06,"d":"8.00E-06"},{"v":9.24550651189186e-05,"d":"9.25E-05"},2.1872658361954]
["POS00179","3,4-Dihydro-4-[(5-methyl-2-furanyl)methylene]-2H-pyrrole",291.1125,162.090763630832,218897.713043582,439874.192386424,475895.7288468,253797.47052705,357834.159564643,67782673.5720411,134531533.90423,135330815.191468,124545336.198028,116185049.276386,349259.8528737,115675081.628431,8.37156158595017,{"v":1.52471902612544e-05,"d":"1.52E-05"},0.000148585363918499,3.41538002902409]
["POS00136","2-Oxoarginine",37.0831,174.086791401664,5746878.69186988,6369070.29011422,6959545.81487812,4642520.62958232,7922312.69003632,17131731.4118869,21130658.9440576,23844596.0379401,20892680.4502329,23321393.7003,6328065.62329617,21264212.1088835,1.74859093453603,{"v":3.13576337416929e-06,"d":"3.14E-06"},{"v":4.92149809566991e-05,"d":"4.92E-05"},1.24428333866786]
["POS00119","2-methyl-3-Pyrimidin-2-yl-Propionic Acid",177.139,167.082925483117,1301645.43877995,4942512.92236053,3260063.59897597,1440622.82496048,2569085.96893539,5148197.08427525,8664525.88224177,8571254.32083699,9389599.14489274,7601811.78563521,2702786.15080246,7875077.64357639,1.54284677986689,0.000825817279923965,0.00353481406038267,0.68800709871655]
["POS00116","2-Methyl-1,3-cyclohexadiene",517.623,95.0848176871166,3245041.46476558,496898.811526238,343572.804221037,1407704.78390111,3162577.28445151,3395826.79817719,3893761.24152495,4112970.19104379,3644302.05071696,3763200.93582039,1731159.02977309,3762012.24345666,1.11976628276898,0.0130954321605867,0.0374765630545772,0.41823010701097]
["NEG00046","2-Isopropylmalic acid",37.5957,175.059997935492,28318820.4399696,38861723.0289686,36961518.4284128,41669733.6641184,57437886.0644535,7466291.78279552,10724238.0477266,13034563.6750692,11133810.5987997,12071079.4239443,40649936.3251846,10885996.7056671,-1.90077958785209,0.000276148515972562,0.00142799111207546,1.68538116368643]
["POS00138","2-Aminoheptanedioic acid",37.00895,176.091189707882,117368034.038333,93617724.3892795,111365465.770439,128743546.413428,109637428.244119,23543168.3484236,33025392.5268296,41634478.1926282,35398363.9023084,35998499.7265704,112146439.77112,33919980.539352,-1.72517657368642,{"v":1.93568280947015e-06,"d":"1.94E-06"},{"v":3.57781372180164e-05,"d":"3.58E-05"},2.83900272082425]
["POS00232","2-Aminoacridone",371.882,211.085807870457,160250.776574547,105149.764925042,149401.233454809,97493.9160811759,150415.471828116,5601767.3510134,7451413.10475239,8934123.96139959,7396266.32037559,7850767.90819312,132542.232572738,7446867.72914682,5.81210970176713,{"v":8.21873390424983e-07,"d":"8.22E-07"},{"v":2.13490589092527e-05,"d":"2.13E-05"},0.872514576834871]
["POS00018","1-Pyrroline",29.253,70.0652143942574,17041.3947887959,0,3919.26124462324,9671.16428137837,14743.5838086997,697946.62435953,1181255.91634774,990216.377380521,891227.68101692,751886.101713908,9075.08082469944,902506.540163724,6.63588308441164,{"v":6.76679982906805e-06,"d":"6.77E-06"},{"v":8.20268174401664e-05,"d":"8.20E-05"},0.300622196107383]
["POS00053","1-Naphthylamine",291.112,144.080303401994,762498.081778083,167983.586545403,209095.867023404,726638.55515133,130724.987202435,31454143.643276,61282681.8128508,62738126.9280557,56965027.3356377,53047096.6347161,399388.215540131,53097415.2709073,7.05470605871274,{"v":1.46836681086402e-05,"d":"1.47E-05"},0.000144669708039532,2.30959448479482]
["POS00161","1-Amino-1-cyclopentanecarboxylic acid",37.64375,130.085922894,71129402.9079284,56311346.6204439,55913279.8054931,64244812.967608,51155376.8652774,3456995.81564046,4029348.63304384,4341423.28449446,4088000.35470387,5997620.37437935,59750843.8333502,4382677.6924524,-3.76907459745217,{"v":2.92369630419811e-07,"d":"2.92E-07"},{"v":1.09896584610741e-05,"d":"1.10E-05"},2.39442981465794]
["POS00200","1,5-Naphthalenediamine",203.808,159.091118243671,1157014.2828975,639978.246006747,786571.113341731,1017649.04055544,994487.403914763,137150541.510649,190182223.472843,211722660.042188,225809129.841517,196084230.420129,919140.017343236,192189757.057465,7.70803108153039,{"v":1.41855154944923e-06,"d":"1.42E-06"},{"v":2.92404658096148e-05,"d":"2.92E-05"},4.45126789719848]
["POS00333","1,2-Dihydroxytacrine",229.081,231.111998493502,0,19615.1318808774,5762.36388300238,0,0,29234038.1011158,69615779.5816893,51624101.8903437,63272093.3854868,46129821.1418828,5075.49915277596,51975166.8201037,13.3219851512133,{"v":7.72435983212954e-05,"d":"7.72E-05"},0.000508852158013482,2.25648015398955]
["POS00281","(Z)-2-tetracos-15-enamidoethanesulfonic acid",450.496,496.338321803556,12406838.5793956,16807469.0495861,13119450.8500099,10956946.4723472,12962212.5418059,24459800.5789321,38004986.8894257,45678828.281972,39761748.483065,37232378.182918,13250583.4986289,37027548.4832626,1.48254314369175,0.000170331798908914,0.000963203712414122,1.52323287962217]
["POS00188","(R)-2-Hydroxysterculic acid",412.522,311.256815839087,2998161.64039227,3380507.30312624,3295510.36369385,3089418.27664146,2771270.93438129,623265.096323379,901731.08482879,1275305.25039006,1188474.79572455,880133.040862005,3106973.70364702,973781.853625757,-1.67383950961553,{"v":9.36303384827261e-07,"d":"9.36E-07"},{"v":2.27613317409366e-05,"d":"2.28E-05"},0.472598618088165]
["POS00168","(5-Phenyl-1,2,4-triazol-3-yl)urea",36.88605,204.088441790346,7998135.36197479,7410485.57831389,7970883.88800243,6708524.36609951,7921579.13540416,21858233.3309997,35681950.9968524,33669794.7998016,28748785.4379089,31440962.3902914,7601921.66595896,30279945.3911708,1.99392653934501,{"v":1.34937879982521e-05,"d":"1.35E-05"},0.000136247660758875,1.51638158356775]
["NEG05071","Zizybeoside I",192.246,431.159888397604,0,0,0,0,0,542164.618347512,613817.012751567,641643.398520093,823765.324698536,767003.313896735,1,677678.733642889,19.3702419731291,{"v":1.06010669257111e-06,"d":"1.06E-06"},{"v":2.45990458722312e-05,"d":"2.46E-05"},0.265696668443917]
["POS07155","Ziprasidone",44.4905,413.121030085037,178382.377077329,176184.64135252,150224.286262979,183412.954886315,170164.269366275,32536.6951069361,73094.258718814,121960.053829238,90364.4838225924,97898.5549805242,171673.705789084,83170.8092916209,-1.04551991218013,0.000547345406292612,0.00251621377425165,0.0903764217258988]
["NEG02117","Zeaxanthin diglucoside",532.829,891.51127831749,168513.083426213,150921.98820895,162441.600138316,141970.259343059,100071.189727067,49153.6432869368,106333.439878524,93262.2026359184,31913.3716790465,66179.2586391451,144783.624168721,69368.3832239142,-1.06154826979019,0.00331238566711688,0.0116847800386544,0.0821378862155908]
["POS06423","Zearalenone",37.80865,319.148905255034,4173950.82731826,4443109.8763976,2085694.7142142,2216126.04776282,4041699.34421781,265996.273845232,407855.810276245,414650.94961667,387239.38972837,436188.261557327,3392116.16198214,382386.137004769,-3.14908344936492,0.000371332104106576,0.00182926046439286,0.524608891899173]
["POS06266","Zaleplon",36.1451,306.128599053451,0,0,41235.4137628675,32633.2011156431,41066.0622067665,477928.451623765,555455.728271206,598532.84520372,569071.504583064,581030.398230839,22986.9354170554,556403.785582519,4.59724618942057,{"v":1.23642928912286e-08,"d":"1.24E-08"},{"v":1.89939339975536e-06,"d":"1.90E-06"},0.236809414293798]
["POS07464","YC 170",34.8696,488.167791646351,2105521.5742147,2861505.97583912,2373797.639757,2142516.16589417,1923367.22787271,0,62000.2365509033,18665.0891917816,75068.750985263,15529.6562650266,2281341.71671554,34252.7465985949,-6.05751907346098,{"v":7.20354706873674e-07,"d":"7.20E-07"},{"v":1.9767770575742e-05,"d":"1.98E-05"},0.485361942083656]
["POS04289","X-Trp",204.287,204.088870591423,137007.039160085,228392.479673786,268118.810484594,194254.600781043,197644.767947716,4865013.13502363,5552634.94810096,7908600.60599996,7749026.40444981,5070975.47412209,205083.539609445,6229250.11353929,4.92477489175163,{"v":1.73368239167535e-05,"d":"1.73E-05"},0.00016000572001207,0.779553697456884]
["NEG05626","Xanthan",44.4795,181.068764863124,184114.23611097,159881.44279754,121244.395674063,207002.189555076,123759.355768757,541723.894798479,760882.733644461,879228.718980576,888300.397200381,811466.851460229,159200.323981281,776320.519216825,2.28580914862413,{"v":1.28999658093263e-05,"d":"1.29E-05"},0.000132519618094115,0.25086771162036]
["POS03779","Withasomnine",229.034,185.106709929771,18340.2519345741,34756.8752164999,11486.8165761146,16887.9327503113,38102.6218775116,342206.2060169,589954.179240403,639288.110759028,1168718.53452305,554786.527203503,23914.8996710023,658990.711548577,4.78427648665735,0.0016942052638468,0.00653855059981599,0.239479536368813]
["NEG05030","Volkenin",192.28,286.088620373517,0,0,1571.44905172103,1142.84391784058,0,1381646.59830582,1718005.33319748,1625834.31204362,1754307.12809225,1639851.60747562,542.858593912322,1623928.99582296,11.5466244857933,{"v":7.1695641783449e-09,"d":"7.17E-09"},{"v":1.53672879690602e-06,"d":"1.54E-06"},0.413188364143113]
["NEG05902","Vitexin",35.0457,431.104119711863,1743231.72611868,1561654.59420552,1225662.11824106,2326315.01001161,1504002.66733298,186971.078091815,24098.646137527,14640.2183142998,41671.7459307017,108090.914585866,1672173.22318197,75094.5206120419,-4.47687285299095,{"v":2.64118752426402e-05,"d":"2.64E-05"},0.000219184263377235,0.400065767459098]
["NEG04834","Violacein",223.474,342.087471491904,49407.4378667922,31184.2540969038,24240.8389269578,40391.6261419171,35892.9012753764,138699.773551041,84576.2528335669,158857.930986799,81617.2599090596,130068.717925454,36223.4116615895,118763.987041184,1.7131030957304,0.000823725036107196,0.00352923571504549,0.0888036224150982]
["NEG06277","Vinclozolin",30.7147,283.994162099119,7254.57801831772,35009.6601215983,20344.4432235267,35631.5981232242,11265.9967412459,599741.187981126,705187.663307972,864530.431593905,680860.401523792,735834.62984637,21901.2552455826,717230.862850633,5.03335210579021,{"v":2.39075866007481e-07,"d":"2.39E-07"},{"v":9.88952402217277e-06,"d":"9.89E-06"},0.269431187235944]
["NEG06096","Vincamine",32.26515,353.192449922053,991333.629013006,1283611.72672413,1145893.07665774,1363638.13902371,1080441.39418085,25683863.4709667,28640502.3488072,30906841.7923983,27682793.5389949,28696279.1287016,1172983.59311989,28322056.0559737,4.59367126329661,{"v":9.86731874015596e-10,"d":"9.87E-10"},{"v":4.90405741385751e-07,"d":"4.90E-07"},1.69276648848049]
["NEG04363","Vilazodone",332.302,440.2051879796,50009.562980447,49479.9533087867,66250.14080824,31532.0196017065,47720.6122664142,0,2613.94084120962,6348.62042956331,6465.52900886602,1434.12072996307,48998.4577931189,3372.4422019204,-3.86087071860046,{"v":4.11064869567874e-05,"d":"4.11E-05"},0.000307988804284271,0.0678262948172694]
["NEG06135","Vidarabine",32.1284,284.098440678605,1241633.03119464,1498714.30249993,1243228.5119268,1512976.54191188,1326811.18411352,2486585.78216616,3066839.86273383,2996234.01121273,2711936.97765374,2886668.94465097,1364672.71432935,2829653.11568349,1.05207021028972,{"v":1.93296694486596e-06,"d":"1.93E-06"},{"v":3.57781372180164e-05,"d":"3.58E-05"},0.387973587160957]
["NEG05047","Vernoflexuoside",192.257,407.172139442333,0,0,0,1290.84128354381,0,119159571.030083,192250073.395727,252341729.36887,285346904.79614,218685517.685834,258.168256708762,213556759.255331,19.657876506778,{"v":6.67847575663315e-05,"d":"6.68E-05"},0.00044991707680949,4.61306104559151]
["NEG04986","Velloquercetin",195.5825,367.08834957289,0,0,0,0,0,59468.8278695692,51148.4362903634,61864.8916298136,65470.4768710937,39161.521457592,1,55422.8308236864,15.7581927805707,{"v":2.44325675164062e-06,"d":"2.44E-06"},{"v":4.15539446771426e-05,"d":"4.16E-05"},0.0752833765348343]
["NEG01658","Veatchine",561.949,342.243476868503,0,0,0,0,0,203702.599865553,311681.391543454,320447.631762694,352191.972751756,291420.015965508,1,295888.722377793,18.1746951845554,{"v":2.4111805129383e-06,"d":"2.41E-06"},{"v":4.13226453424253e-05,"d":"4.13E-05"},0.174544069948572]
["POS06539","Valclavam",185.644,330.164648828069,0,12667.0241146509,3943.7842630985,4598.09540679173,0,10082.7967900003,28051.9169985799,16499.9700537445,36910.6851462674,31866.4943132489,4241.78075690823,24682.3726603682,2.54073912419567,0.00576619027045498,0.0186899775940182,0.0413333153427405]
["NEG06650","UTP",25.64395,482.960660668404,323474.783227968,154165.084150634,302202.860118111,199178.779120602,286090.347998116,34702.4794643087,70665.2400437615,191361.386122574,167220.195369818,95801.8972103055,253022.370923086,111950.239642154,-1.17640732971091,0.0122796775240436,0.0357132623959994,0.104294589763826]
["NEG05455","Uridine",98.445,243.061674125848,7972369.57621448,7781500.90649382,7766488.44579167,8673504.80274573,6557710.15335526,1303148.87188036,2055092.27558336,2593001.3935571,1996522.3400508,2140317.22108886,7750314.77692019,2017616.4204321,-1.94160298399864,{"v":5.3755584878324e-07,"d":"5.38E-07"},{"v":1.63444138454827e-05,"d":"1.63E-05"},0.774399605132973]
["NEG06063","Urdamycinone B",32.4171,451.144436854921,154420.201258036,64290.0698435179,85214.4108560969,106869.781941515,104319.381482139,1107837.20435408,1452869.47706044,1334891.50507472,1151590.68633671,1495635.25274452,103022.769076261,1308564.82511409,3.66695026797069,{"v":3.48930898768176e-07,"d":"3.49E-07"},{"v":1.24861432815204e-05,"d":"1.25E-05"},0.35523187326172]
["POS05310","Uracil mustard",28.7309,252.026768468159,45823.5063331794,95496.0040083768,90446.5795978671,102860.866341933,6670.40785744917,1261571.91524324,1672952.7123305,1878513.61243682,1900674.11145736,2561391.60685485,68259.4728277611,1855020.79166455,4.764262274443,{"v":2.93198653703338e-05,"d":"2.93E-05"},0.000235453784203775,0.426284821355551]
["POS05580","Ungeremine",225.3685,267.08774150665,16682.66004604,4735.27942283782,27725.3858885758,17333.4791378299,0,1161909.88615193,2460160.49593905,2628502.69321536,1753306.35396221,2151372.08208353,13295.3608990567,2031050.30227042,7.2551592212423,{"v":5.97431464511613e-05,"d":"5.97E-05"},0.000407986403169534,0.44771522088634]
["POS07038","Undecylprodigiosin",447.3365,394.276143739041,2465475.64989779,2593073.23206511,1347320.95473293,2279218.69788456,2205351.34744113,401635.071055256,711535.579934702,1032673.02983855,491021.342151717,533093.317621478,2178087.9764043,633991.668120341,-1.78052644216489,0.000235488290528759,0.00125397514706564,0.380912893553322]
["NEG05710","Ulifloxacin",37.6782,348.079294555862,214560.390588894,278937.54643012,277493.456640652,201567.987847234,195593.727237419,449805.654125135,602007.958560095,467665.491390513,361515.077860021,479306.932823437,233630.621748864,472060.22295184,1.01474154343564,0.000521042419917003,0.00242773202530079,0.148257142457524]
["POS07049","Tylactone",447.546,395.279293654936,424310.369822562,448975.877439465,127143.878870822,418874.285226669,315482.440439375,0,40672.8151339564,43332.0005478724,30281.9372527301,50974.1547369033,346957.370359779,33052.1815342924,-3.39194101215729,0.000807266400780038,0.00346203510133184,0.168192992578604]
["POS06972","Tryprostatin A",567.0935,382.203425843506,168184.501243567,209542.22323928,194210.711418098,88812.0283984673,83507.6286617361,636719.453093993,607018.166438935,929100.007179705,726347.368621763,857669.194036773,148851.41859223,751370.837874234,2.33565215244285,{"v":1.99735014802376e-05,"d":"2.00E-05"},0.000178682944242206,0.247698761679675]
["NEG00501","Tris(2-chloroethyl)phosphate",675.303,282.947906489257,8127531.01547361,10016765.2659699,7010134.73789741,8304089.96054499,7284157.29484612,2444255.98842693,4468363.22659113,4209864.28656322,3974173.41241582,3796129.41387197,8148535.65494641,3778557.26557381,-1.10870533332945,0.000125431683635169,0.000757160487044685,0.654244534857077]
["NEG00580","Trimetaphosphoric acid",674.4885,238.890876515242,1448784.19459685,1973327.3335329,1557370.62820999,1578012.15174486,1390619.45665053,732078.184159672,643460.697526328,634613.694363339,703513.740162754,619637.894256484,1589622.75294703,666660.842093715,-1.25365953315614,{"v":2.08696722889348e-05,"d":"2.09E-05"},0.000185956263243835,0.307365407720986]
["NEG05764","Trifluoperazine",37.1108,406.159536231516,0,0,0,10995.5483224812,0,184335.579846288,362396.110412295,443105.293847861,323835.384805604,432534.972161103,2199.10966449624,349241.46821463,7.31116151171806,{"v":7.53990579836267e-05,"d":"7.54E-05"},0.000499050377779054,0.186126029007208]
["POS07620","Trichotomine",34.8722,533.153648869081,6893279.35525642,7562656.93333175,6737528.41643403,6750214.20334511,6299669.4791577,331832.967142298,1273658.19240434,848646.663998096,1010031.97387579,616737.008594853,6848669.677505,816181.361203075,-3.06886210857626,{"v":1.28508072609293e-08,"d":"1.29E-08"},{"v":1.89939339975536e-06,"d":"1.90E-06"},0.798045205797307]
["NEG05997","Tributyltin oxide",34.23235,597.223292520647,0,0,0,0,0,53377.8611630665,77476.7332158126,175840.154149575,137432.510873416,116264.377124658,1,112078.327305306,16.7741478042123,0.000844458730786984,0.00360082354891342,0.102689638942086]
["NEG05095","Tributyltin chloride",191.77,325.082662704332,0,0,0,0,1020.94541125404,181840.008478737,255005.07543878,373868.071888114,395211.84459357,282529.465521379,204.189082250808,297690.893184116,10.5096936436068,{"v":6.4111046774852e-05,"d":"6.41E-05"},0.00043384071440834,0.172148857810904]
["POS07384","Tribromobisphenol A",27.9102,462.860197871917,195530.791609704,324034.519093934,597138.619857834,232989.446316912,519928.736282157,1313026.11246914,1396861.60162273,1509701.28872931,2205072.0539754,1443706.25119989,373924.422632108,1573673.46159929,2.07331760353706,0.000155075012216633,0.000893879548511596,0.340740263366952]
["POS04934","Triaziquone",228.273,232.109274756854,9641.8118373978,0,5920.3556232322,23198.6421435661,6199.2661998534,3111912.82249407,306710.878613937,4011808.20979967,6064878.89220032,4103694.78576552,8992.0151608099,3519801.1177747,8.61263373005151,0.00564237052803791,0.0183685031818876,0.5515173098409]
["POS06391","Triazamate",165.042,315.148298756994,60557.2593494589,149126.952134117,176716.148566666,59792.726561146,111646.248390807,152675.056111441,487207.989431708,464250.728998072,402161.775048079,431422.741218981,111567.867000439,387543.658161656,1.79643727221248,0.00277283230871506,0.00997818094680811,0.155012077106387]
["POS04644","Triacetin",353.69,219.088174215173,0,0,8842.32579775255,5202.07516392169,6654.142877718,47451.9816909139,160885.586119493,327519.936350311,245930.951718521,258383.077732538,4139.70876787845,208034.306722355,5.65114837466687,0.00285017705103367,0.0102445976089152,0.135120292874297]
["NEG06070","Tranylcypromine",32.3884,132.084480736929,0,7261.90694729566,19718.9864426851,22584.0334763344,12724.304316683,469381.289791649,506453.03041724,555628.806447608,533563.245123861,592688.057974533,12457.8462365996,531542.885950978,5.41505951998073,{"v":8.88251108151629e-09,"d":"8.88E-09"},{"v":1.53672879690602e-06,"d":"1.54E-06"},0.234059036547396]
["POS07012","trans-Resveratrol 3,4'-disulfate",28.7309,389.001936523686,6129.40706432338,9080.13232872411,0,0,6029.88439017784,396161.925405512,501220.138277233,481020.881305516,597864.227635521,437573.421556541,4247.88475664507,482768.118836065,6.8284419689972,{"v":6.39313495454704e-07,"d":"6.39E-07"},{"v":1.80990459820816e-05,"d":"1.81E-05"},0.222605323973732]
["NEG05173","trans-Cinmate",179.488,147.043746650079,4678021.95771466,28866740.0507734,29586970.2647148,5285299.57952847,29098538.348985,63843707.8204584,40069364.5713436,41233634.9588915,40859848.6569594,69387385.4113888,19503114.0403433,51078788.2838083,1.38901980525776,0.00681081753550726,0.0214239007287792,1.62830594666253]
["NEG05719","trans,trans-Farnesyl diphosphate",37.4912,381.11773667921,80447.3153733543,47896.4791492191,52564.6453822642,31604.5813012905,39794.2335596778,89377.9552576679,139387.030241394,121627.991541849,158754.961163791,105923.317968976,50461.4509531612,123014.251234736,1.28557186702656,0.00116503152674161,0.00475473176926573,0.0818274594179907]
["POS06103","TRAM-3",276.938,295.092087213677,0,0,0,0,0,73824.0290758499,135616.848664109,180886.111188395,135541.670224649,132314.711945237,1,131636.674219648,17.0062019570036,{"v":5.58425659480572e-05,"d":"5.58E-05"},0.000387863039574006,0.114589977716766]
["NEG05679","Tos-Lys-CH2Cl",38.80645,331.093397200528,0,0,0,0,0,66263.4201769605,73009.4276139792,99380.6528670341,66878.4981230286,57125.9273747906,1,72531.5852311586,16.146321759963,{"v":7.83015445553669e-06,"d":"7.83E-06"},{"v":9.16865991612975e-05,"d":"9.17E-05"},0.0858264268607374]
["NEG02806","Torvoside D",500.694,725.424433726865,3692699.5279027,3016231.42463539,4721067.71541897,4532425.84861373,3758183.91893804,232462.815514163,332486.167531496,382037.130771876,302533.840445767,217110.419695696,3944121.68710177,293326.0747918,-3.74912683537839,{"v":2.50048490722743e-06,"d":"2.50E-06"},{"v":4.1733839515031e-05,"d":"4.17E-05"},0.618008479942671]
["POS07185","Topotecan",187.19,422.176736356834,0,0,0,0,0,0,14146.7277400874,4883.49163854592,12628.1361127844,10124.6325862003,1,8356.5976155236,13.0286999539607,0.0127015874895498,0.0366543231230687,0.0256434740903622]
["NEG04382","Tolylacetonitrile",326.6805,130.064769219485,501561.112099137,512399.034025031,537768.947872816,496655.348106073,542924.670971661,892517.641644206,1362797.38176595,1640108.16791876,1843511.86729283,1327875.96039561,518261.822614944,1413362.20380347,1.44737820635946,0.000538049593145109,0.00248369022718067,0.290769043568999]
["POS06295","Tolnaftate",325.3485,308.116983349276,0,0,7492.56095767532,0,0,300143.679676552,523592.551735869,488849.175867289,364312.892760466,527725.082436796,1498.51219153506,440924.676495394,8.2008575885737,{"v":1.20144867884493e-05,"d":"1.20E-05"},0.000125856673079002,0.211550897291621]
["POS05433","Tolmetin",167.8405,258.107503674685,0,8758.22423555634,24893.2365648162,0,7820.35307677193,496772.974858673,519462.662928857,232976.587633829,135801.334895514,60899.0388501155,8294.36277542889,289182.519833398,5.12370538973113,0.017072861431752,0.0470819415439129,0.143577425092973]
["NEG02734","Timosaponin A-III",509.419,739.440522385434,68271.9418242072,47084.4710590335,85812.7672424702,77790.7032480482,48447.1672281799,3447.38512376638,0,0,35597.2980490359,0,65481.4101203878,7808.93663456046,-3.06788737919739,0.000553951874663926,0.00253835281043709,0.074735562606658]
["NEG06529","Timepidium bromide",27.80745,398.025496818011,133501.303606484,223362.650795242,274220.555537084,256225.971332897,98785.8649222319,254873.294908874,410957.140149632,525692.674310774,555232.472858893,375260.830334998,197219.269238788,424403.282512634,1.10563529809322,0.00766384576555391,0.023674297036825,0.133935067381448]
["NEG05083","Ticlopidine",191.982,262.044086253522,11209.7258486178,0,0,17696.9211261729,0,174028.858137259,180115.167803585,302597.205503648,224433.297079707,107298.73049027,5781.32939495814,197694.651802894,5.09572875923203,0.000354447490010827,0.0017635635403987,0.134831841805499]
["POS07258","Tianeptine",47.3118,437.132272204731,27011.8918521008,8435.99676110589,5513.84321855357,4193.43333676409,0,253569.000027253,549259.612942443,941336.274275159,429685.869752607,783269.862960007,9031.03303370487,591424.123991494,6.03315825862827,0.00146155953692142,0.00577012869254151,0.232230402112731]
["NEG05820","Thiophate-methyl",36.66015,341.038801076925,95107.7028801625,183252.669752013,163669.68226867,83992.4742298335,179791.42847707,2873.45884076437,53718.5891872577,24273.796973566,15333.3331394024,49871.3274448576,141162.79152155,29214.1011171696,-2.27262306000278,0.00144078907642202,0.00569315330285841,0.101159703614362]
["NEG06604","Thiazafluron",26.3944,239.022436752866,860106.877047691,922992.950856387,849395.272403894,1160222.43298414,950458.711413855,88352.9410772639,150743.72921713,180213.338368309,161388.105643629,222535.972730296,948635.248941193,160646.817407326,-2.56196107670119,{"v":1.11284488056042e-06,"d":"1.11E-06"},{"v":2.52055291101685e-05,"d":"2.52E-05"},0.285752763506047]
["POS05840","Thiamine acetic acid",34.8702,280.101736790778,5513587.61266285,6326516.7966627,5273550.69608819,4298538.64538832,6709807.78721029,1440447.38477362,2069558.85996591,2115570.92578607,2125834.84711268,1894371.12181188,5624400.30760247,1929156.62789003,-1.54372899925185,{"v":3.14729204005001e-05,"d":"3.15E-05"},0.000247849248153939,0.60348171244208]
["NEG06341","Thiaburimamide",30.4363,229.058989082925,135751.949013657,98423.6268361067,97327.2907613132,180464.084844003,108511.715755972,494238.711582274,569532.300344653,512968.229551885,492364.058888992,443770.08819328,124095.73344221,502574.677712217,2.01788446791773,{"v":4.37202677528403e-07,"d":"4.37E-07"},{"v":1.43794674748864e-05,"d":"1.44E-05"},0.197627335843346]
["NEG05977","THF-L-glutamate",34.38845,573.214410256441,0,0,0,0,0,47851.4356432367,46462.1583104821,135992.178653395,28019.5433613997,76123.7483050702,1,66889.8128547167,16.029498888427,0.00764830954053399,0.0236426320489347,0.075040950198392]
["POS06350","Thebaine",38.49285,312.164022701665,10064.1050768125,0,8143.54503069178,17156.5291201525,0,452649.345573333,410800.025054557,609802.962731779,661736.447143659,487670.494369882,7072.83584553136,524531.854974642,6.21259780256008,{"v":4.70882718374558e-06,"d":"4.71E-06"},{"v":6.42151951002866e-05,"d":"6.42E-05"},0.230600148495521]
["POS06961","Thaumatin b, recombinant",567.101,380.207992962211,696670.748877875,924540.148796444,710719.985729045,615441.512783764,706757.657441145,2256510.57745214,2471019.10233937,2700068.23019755,2452737.02825289,2993641.5100284,730826.010725655,2574795.28965407,1.81685784793984,{"v":8.51421063771482e-07,"d":"8.51E-07"},{"v":2.15164204420895e-05,"d":"2.15E-05"},0.439188624912121]
["POS08019","TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:0)",28.183,797.65841552546,222312.939433904,186338.38501178,222130.919309789,219535.671890264,155709.493049592,19370.4824009277,0,11619.8379414432,91154.5261282292,44375.7070376204,201205.481739066,33304.1107016441,-2.59489744698067,{"v":4.26671116077177e-05,"d":"4.27E-05"},0.000318013234531423,0.129818880888226]
["POS07991","TG(14:0/15:0/16:1(9Z))",28.4144,763.6652764744,321485.680436095,297759.790870654,324390.649330026,354496.830770957,308391.926478039,84683.342194935,30616.2888321333,94373.2176872501,142150.659129648,36700.291109684,321304.975577154,77704.7597907301,-2.04786844340557,{"v":4.82838826495226e-06,"d":"4.83E-06"},{"v":6.54682598924059e-05,"d":"6.55E-05"},0.15838443695579]
["NEG01677","TG(10:0/13:0/8:0)",559.867,567.474146411392,21631.4145081088,24436.4097204699,31787.4107411532,46112.8006076347,33390.0831266945,114455.011891345,71364.4621484941,103813.819132326,113569.029856373,38084.0670724685,31471.6237408122,88257.2780202013,1.48766363855312,0.00612927886808425,0.0196250997687479,0.0679990399951918]
["POS07921","Tetrahydropteroyltri-L-glutamate",35.03365,704.269162785117,695842.883290693,595556.214906818,517994.03090918,1090321.19366323,448637.699768821,0,0,0,0,0,669670.404507748,1,-19.3530916852622,0.000349400348459964,0.00174427205207748,0.254388438351598]
["NEG05751","Tetrahydropteridine",37.19845,135.064798153966,27510.8123161773,48048.0824390001,36786.6340356305,79933.6474988802,38147.3861858618,0,0,12817.7303017184,7556.32848399125,2590.18976191904,46085.31249511,4592.84970952574,-3.32684555281558,0.00224217077307916,0.00833684943306989,0.06169274385039]
["NEG06043","Tetrahydropalmatine",32.64255,354.170905787873,121886.852537338,165994.728332239,210071.50725138,118402.217201668,96137.4160722303,3478863.10746749,4272349.68250994,4603986.58564297,3892014.44920375,4344815.3958566,142498.544278971,4118405.84413615,4.85306691955916,{"v":3.85361832399999e-08,"d":"3.85E-08"},{"v":3.59109057567749e-06,"d":"3.59E-06"},0.646027358344418]
["NEG05775","Tetrahydroharmine",36.9758,215.114112661831,80874.9830230778,76077.1949481252,56766.3729952702,43470.5405489518,48829.6986455103,140090.915029751,299132.573137181,309264.712852491,254336.950176507,223758.983932898,61203.7580321871,245316.827025766,2.00295405103293,0.000375733327843021,0.00184890558354437,0.132444431047991]
["NEG05097","Tetracenomycin D3",191.714,379.044114759805,0,1941.23627103224,0,0,967.928023270323,135489.955661308,63859.3186375989,55383.267171341,37172.7853752226,138144.447156872,581.832858860513,86009.9548004685,7.20775506234747,0.00378316671974842,0.0131179106491742,0.0869462323531115]
["POS07190","Tetracenomycin A2",177.314,423.107688148715,0,0,0,0,0,4621.55589514956,126882.761305075,240093.654152293,137542.386018096,209050.143997315,1,143638.100273586,17.132078951906,0.00779917531298726,0.0239929237792242,0.110178102535359]
["NEG02616","Terpendole G",517.0515,450.256875225859,9729553.5312726,29416053.1270194,32070873.1216418,34967911.2016594,28572503.9662128,7540154.66828846,8395510.16350093,8941565.44906105,10156886.2220978,8462483.86178851,26951378.9895612,8699320.07294735,-1.63138454015583,0.00351401350750142,0.0122606727137705,1.29601253007326]
["POS06000","Terbufos",204.6505,289.048512469131,8647.31262332508,12418.9149034455,0,5717.28843888111,4907.73701691819,9860091.12643898,12553605.3463576,11479563.8093148,11988058.9638281,10881180.7198649,6338.25059651398,11352499.9931609,10.8066377145105,{"v":8.40056505625962e-09,"d":"8.40E-09"},{"v":1.53672879690602e-06,"d":"1.54E-06"},1.09086330969159]
["POS07008","Terazosin",29.0347,388.188978302425,97123.2502587809,76345.6239381608,144700.658722628,68997.2727384565,73379.0699847897,250368.660602628,525814.750925526,559160.078121724,314392.896930702,309294.707193381,92109.1751285632,391806.218754792,2.08872351873352,0.00162186086178632,0.00628102479200883,0.16308558870417]
["NEG05923","Tenitramine",34.774,415.109302811909,1759257.6526429,2320405.70010513,2134238.90096715,1567864.5811959,2599220.88147709,252705.457821945,220589.064917735,339154.84942906,120453.308475898,309973.258060137,2076197.54327763,248575.187740955,-3.06218951598534,{"v":1.1487229011335e-05,"d":"1.15E-05"},0.000121759183335785,0.429348995459493]
["POS04207","Tegafur",26.5675,201.071287679351,29300.7621545304,34125.1990237809,30162.1618104158,30208.2047401755,8259.69644683523,261848.081791602,314153.937707456,418386.676200122,420987.277081045,400027.226640839,26411.2048351476,363080.639884213,3.78106798362033,{"v":6.20019517600311e-06,"d":"6.20E-06"},{"v":7.71242276363498e-05,"d":"7.71E-05"},0.1860543568961]
["POS04879","Tebuthiuron",28.54545,229.113075454941,199250.628430879,152769.436166008,112979.853432821,214555.091040356,149089.715864618,0,4654.45535266867,18224.3753026731,0,22002.4583648472,165728.944986936,8976.25780403779,-4.20656767304984,{"v":3.40953412478417e-05,"d":"3.41E-05"},0.000264771634377771,0.124236719381481]
["NEG04210","Taurodeoxycholate",362.854,498.283551019356,1627618.50775727,1765798.81534974,2324998.94793727,1754209.19468384,1762989.77404254,130616.763639063,143304.283201458,239593.761240379,254001.111848494,167680.61748522,1847123.04795413,187039.307482923,-3.30386657760332,{"v":9.75456405930579e-07,"d":"9.75E-07"},{"v":2.35849540742026e-05,"d":"2.36E-05"},0.418266833740068]
["NEG00628","Tabtoxinine-beta-lactam",673.693,187.071437286521,2188943.19782644,3017456.63282541,2195769.31517626,1682756.10360665,2660679.23451775,440126.25078337,354615.91283322,748809.528340108,401440.509890974,310920.519589801,2349120.8967905,451182.544287495,-2.38033780533599,{"v":4.82154955521458e-05,"d":"4.82E-05"},0.000347291323035021,0.432773986492326]
["NEG05856","Tabtoxin",36.36055,288.119949719821,254253.578124025,139753.74343111,110794.240297276,77081.7788248686,155484.892823315,483735.831315972,805116.375753327,862767.132915686,681160.553583513,847670.98749799,147473.646700119,736090.176213298,2.31942534711978,{"v":5.90588279001134e-05,"d":"5.91E-05"},0.000405010373363407,0.244099513793273]
["NEG05861","Sultopride",36.2898,353.156323442494,0,0,0,0,0,247180.451338476,687989.596614569,760711.807880276,754205.711483566,697879.652410234,1,629593.443945424,19.2640609923523,0.000186030254732336,0.00103625570288635,0.247821780388188]
["POS07095","Sulforidazine",34.8685,403.154483825218,581135.843693406,525376.25510967,462196.688299129,590224.159822056,357375.090975173,0,0,0,32919.904138379,0,503261.607579887,6583.9808276758,-6.25620459795116,{"v":3.16249553812534e-06,"d":"3.16E-06"},{"v":4.9460987909212e-05,"d":"4.95E-05"},0.226304968619946]
["NEG04830","Sulfinpyrazone sulfone",225.121,419.107654468621,0,0,0,0,0,9612.71185251213,22553.3335867136,32924.6757320487,30281.1311998177,27443.173861099,1,24563.0052464382,14.5841994626066,0.00033405444863282,0.00167681850760122,0.0487021657291905]
["POS06998","Sulfentrazone",43.96165,386.992229499446,119998.607667401,73883.1170877463,128917.043850827,129848.784914417,184355.644393877,390195.163282066,277315.453830916,342699.647465258,457797.285121688,241231.982209906,127400.639582854,341847.906381967,1.42398206939019,0.00100449388844908,0.00418352063597088,0.140619228690991]
["NEG06300","Sulfamethoxazole",30.4934,252.045988652751,8402.91608882928,22604.7238936636,9285.91068305965,21928.2072337787,0,153689.251370534,538569.358139721,918616.453619138,408976.775096725,721876.031567125,12444.3515798662,548345.573958649,5.4615224185923,0.00347120259096444,0.0121380599185758,0.217740617113283]
["POS06330","Sulfadoxine",28.4528,311.075897465822,623404.52999394,548608.755457627,472970.75665062,626305.782073759,443860.342324329,52162.6932576388,167568.035741884,107896.299090871,415727.116014709,15821.9448543122,543030.033300055,151835.217791883,-1.83852553219985,0.00122137400668088,0.00495753714327002,0.19008688413748]
["POS06567","Sulfadimethoxine sodium",37.2763,333.062321945199,4989096.75493636,5759246.52146822,5040930.31400639,5526703.93224705,4155497.11093356,1060327.88136938,2862483.69947966,2580181.01045855,2446569.99475097,2537436.32482729,5094294.92671832,2297399.78217717,-1.14888055550319,0.000160189057280379,0.000918622632327099,0.526026938345382]
["POS05268","Sudan I",451.098,249.101331777286,0,0,0,0,0,118578.898773601,111095.751647108,142946.854784697,238686.849966816,162279.121735488,1,154717.495381542,17.2392768197244,0.000142578336198161,0.000834755101851276,0.12340053854283]
["POS07230","Stypandrol",28.9846,431.149037434949,0,0,0,0,0,225794.430651052,415141.399968635,403632.107645644,376841.214693675,330833.39189104,1,350448.508970009,18.4188429605822,{"v":7.34878748771998e-06,"d":"7.35E-06"},{"v":8.74232085972645e-05,"d":"8.74E-05"},0.188762950567999]
["POS05637","Strobamine",168.041,270.143768452878,779088.898834331,690493.849675313,624808.23809739,606343.168919689,740750.483353808,746419.036999414,2031799.51610845,1778938.84889747,2018538.57487056,1681475.72916533,688296.927776106,1651434.34120824,1.26261663557548,0.00374228034652989,0.0129862063537845,0.289921092576098]
["NEG05922","Strictosamide",34.77795,497.181412380628,347057.052418795,299162.654196122,230282.923351868,459215.312733178,309651.652860325,1369070.45998265,1912382.36638207,2376696.05978908,1812279.89345561,1962660.91328265,329073.919112058,1886617.93857841,2.51931869577125,{"v":1.33727559125704e-05,"d":"1.34E-05"},0.000135398275408875,0.39847437587505]
["POS04398","Stipitatote",27.6494,209.008194918624,292264.444491901,754806.513566,703616.098212601,565682.915645003,289493.86027051,935753.892620439,1353144.72730839,1323081.46626262,1452328.70811531,1079709.07526101,521172.766437203,1228803.57391355,1.23742071333893,0.000879810447516218,0.0037266970944508,0.250459441898736]
["NEG05988","Steroid O-sulfate",34.26845,335.128942509709,104944.970511492,33678.9245267709,6918.91535802781,0,45506.5746564419,660615.527256794,1266306.15618174,1360438.03927362,1164241.30531399,1231275.02608931,38209.8770105465,1136575.21082309,4.8946037308674,{"v":2.14987292303654e-05,"d":"2.15E-05"},0.000189298850093355,0.334006633777588]
["NEG02090","Stellettamide A",535.5035,400.351046927109,111359.758938524,125350.243384357,49520.5983658858,88167.2302897569,122361.081853907,348762.953630047,687277.084193842,1281162.84937836,865957.113942808,788014.983517305,99351.7825664861,794234.996932472,2.99894817513637,0.00175236243386549,0.00673168629237163,0.252106662536131]
["NEG03199","Stearoylglycerone phosphate",454.128,435.251275858279,209074.241222391,260501.966240036,267760.95285172,236721.955639197,289505.148333645,378093.564176126,481093.401762389,677149.624081284,611974.073898777,567422.307345842,252712.852857398,543146.594252884,1.10384259034364,0.000657696981956311,0.00293600658711635,0.1656656281966]
["NEG04908","S-Ribosyl-L-homocysteine",207.561,266.066783347033,0,0,0,0,0,6492.81582503567,41808.2345761174,65439.8364438262,66893.8903710971,48646.6281715857,1,45856.2810775324,15.4848317373344,0.00305316282696203,0.0108819102191244,0.0637032896424477]
["NEG02221","Spirolide B",529.346,692.459079865992,1530512.04654768,1352279.00619047,1526295.23444083,1965606.32112722,1308402.20545871,178862.297788122,300016.199351971,376990.339480374,222751.201666758,245257.62778202,1536618.96275298,264775.533213849,-2.53691774248186,{"v":5.9021613235099e-06,"d":"5.90E-06"},{"v":7.54296217144565e-05,"d":"7.54E-05"},0.362731222592462]
["NEG00495","Spinosyn A",675.3035,730.466473459296,41383146.8287642,30694072.2739819,31234927.3967897,29797000.1820365,30349613.0358405,13187311.8778072,11573590.960081,9611909.80633845,21628641.3026506,12305953.8119579,32691751.9434826,13661481.551767,-1.25881274427542,0.000229876489020096,0.00122895438045083,1.34255312922677]
["POS02579","Spermidine",24.5458,146.164647356358,74131.16575955,137583.338845476,105241.253182496,66936.5192375926,128828.907573271,1229941.00818516,3133115.41984247,6077440.15971547,8086807.18050862,3681053.50184655,102544.236919677,4441671.45401965,5.43678436370501,0.00668226948075428,0.0210720915504449,0.603536712647204]
["POS07826","Soyasapogenol B 3-O-D-glucuronide",204.509,635.411204300687,0,0,0,0,0,2317134.53070243,2554749.70263669,1339577.00778311,2621562.30167596,2832271.92303929,1,2333059.0931675,21.1537914185837,{"v":1.98218720524959e-05,"d":"1.98E-05"},0.000177681831043716,0.485781709992151]
["NEG01829","Sorbitan palmitate",548.35,401.290544598204,207642.526247963,443981.834212499,377287.311309998,127644.099666392,306123.934057525,501760.753208914,1047824.85274146,1049609.03350559,1185590.06784502,768557.110485687,292535.941098875,910668.363557334,1.63831188028257,0.00182429904549268,0.00697443558161434,0.234141479507113]
["POS06102","Sodium citrate",36.41425,295.005289749729,66613.7257307601,19180.2617677216,144077.588689226,57799.15653816,189985.66987654,783231.614617829,588566.969189722,614011.689603824,460292.173259812,506957.958937505,95531.2805204815,590612.081121738,2.62816575944435,{"v":5.33799301131244e-05,"d":"5.34E-05"},0.000374611491576653,0.221516210569997]
["NEG05046","Sodium 3-ethyl-7-isopropyl-1-azulenesulfote",192.257,299.070235394398,0,2260.32420653736,955.483701675972,2871.50461095638,0,1087478.42468319,1429113.39030107,1500274.49139826,1655178.30893686,1408319.5689107,1217.46250383394,1416072.83684602,10.1838024181977,{"v":3.41423521275175e-07,"d":"3.41E-07"},{"v":1.23182078138192e-05,"d":"1.23E-05"},0.383914060024347]
["NEG05880","Sitagliptin",35.3213,406.108605202823,3306118.48539093,3102929.19066333,2921208.9574129,3949496.92633942,3227962.56184406,949955.058458938,416098.907474931,611184.4662449,497797.689119273,455586.609965994,3301543.22433013,586124.546252807,-2.49386137186813,{"v":8.16984380906346e-07,"d":"8.17E-07"},{"v":2.13490589092527e-05,"d":"2.13E-05"},0.530520861582088]
["NEG01218","Sinapoylspermine",600.244,407.263597403325,31484.1865798102,35876.607729589,23154.7831629187,24659.2191387774,24767.681841551,62986.9497989533,86467.7278241414,97713.5438118508,115213.622204341,83641.7157201242,27988.4956905293,89204.7118718821,1.67228596873164,0.000130038497121437,0.000775549596832251,0.0775871706587669]
["POS04230","Simazine",239.506,202.08548843167,33793.9198113874,47432.3046673072,34818.9733044913,31045.7115453558,41582.6316062919,76750.2547906451,170862.178933928,178399.864285426,190840.218278419,177431.554683439,37734.7081869667,158856.814194371,2.07376295346683,0.000419298768096588,0.00202792181952165,0.107686651436927]
["NEG06261","Silver sulfadiazine",30.76475,354.94248020809,4197911.99722227,4791634.60573268,4562014.31951056,4818889.75690496,4145448.94896429,1554471.05149657,2360967.69320417,2435838.29861032,2610197.64626718,2058664.26358605,4503179.92566695,2204027.79063286,-1.03080170707237,{"v":9.6391297677829e-06,"d":"9.64E-06"},0.000106458833213069,0.487737188696765]
["NEG05947","Silidianin",34.524,483.132853328442,20054288.1699201,27343770.5994042,29572226.2116173,18630899.9449495,30018142.0646171,3526547.45616056,6008876.61238078,6691685.06411883,6749632.08319639,5602320.32478401,25123865.3981016,5715812.30812811,-2.13602799708024,{"v":5.17971477993221e-05,"d":"5.18E-05"},0.000366595952699949,1.3944810608248]
["NEG05981","Sildefil",34.36985,473.198668392751,0,0,28270.5772334484,48075.541781414,0,71258.9888749344,48826.8655308555,58486.2514996356,66490.7988780251,73698.2563108898,15269.2238029725,63752.2322188681,2.06184913142375,0.00209680058478506,0.0078550996781772,0.0647335597114951]
["NEG04516","Shihunine",298.1435,202.08643725143,3315.15239888195,8330.92507255472,13189.3640096973,12229.7679409727,6750.58330879174,368057.975201995,763531.545277102,818561.897034311,538412.826655424,599759.57508371,8763.15854617968,617664.763850508,6.13922925998173,{"v":6.70286003409251e-05,"d":"6.70E-05"},0.000450855532819486,0.245266979694225]
["NEG05763","S-Glutathionyl-L-cysteine",37.1368,425.070196117507,309284.8466151,264767.858969923,249852.03975965,451938.05017158,177711.52558184,85239.208480356,0,27452.4788545262,0,17973.5303373884,290710.864219619,26133.0435344541,-3.47563792750753,0.000577626595026504,0.00262573552800158,0.15901297519774]
["NEG05050","Sesartemin",192.257,429.153877490826,2965.25997459912,0,0,2778.86876029483,0,18000006.717177,25227126.7536404,30089425.8265437,30293150.5371745,26645208.0119931,1148.82574697879,26050983.5693057,14.468890235147,{"v":2.70163808197899e-06,"d":"2.70E-06"},{"v":4.33133589272116e-05,"d":"4.33E-05"},1.63980576430873]
["NEG06557","Sedoheptulose 7-phosphate",27.4905,289.032712559884,1524849.94882636,1788415.03835593,1202656.1765647,1571036.50422083,1239685.06473507,1102648.99671307,352256.47628152,371067.040635263,337062.033631386,360393.199951211,1465328.54654058,504685.54944249,-1.53776748876782,0.000837828275109008,0.00357595980397194,0.29897675925327]
["NEG06722","Sedoheptulose 1,7-bisphosphate",24.5736,368.998922546636,147930.469063174,142556.564047862,126800.718494631,124138.638364099,98371.1791067288,0,9862.50231120573,1623.11238065014,1755.51596846124,3839.18218526189,127959.513815299,3416.0625691158,-5.22720920598329,{"v":6.25525725996587e-07,"d":"6.26E-07"},{"v":1.79357472588637e-05,"d":"1.79E-05"},0.113799545427476]
["NEG06014","Scabraside",34.0041,843.22587362745,683607.805564865,1133572.77391287,1192517.2839705,636191.079233685,1140510.58289492,0,0,0,0,0,957279.905115368,1,-19.8685812995438,{"v":5.0371050416007e-05,"d":"5.04E-05"},0.000359239199594043,0.310390838708945]
["POS02379","Sarin",167.863,141.050356807022,39779804.3794101,73292561.1822332,67313262.0635149,32187739.2681949,60985957.9331168,19287088.5405208,21386255.9728179,27378925.3938134,25793110.3893036,20793924.7810864,54711864.965294,22927861.0155084,-1.25475196436976,0.00448413748072882,0.01506953189429,1.66655425299448]
["POS05904","Saphenic acid methyl ester",319.1965,283.106574145048,0,0,0,0,0,89716.0537193578,118148.00997232,192697.131706843,266189.434133925,181873.005063343,1,169724.726919158,17.3728372385214,0.000573420913173785,0.00260926932311937,0.12708562774483]
["NEG04633","Saphenic acid",275.385,267.077421254572,0,3525.11556137799,2346.71729146076,2724.6325954078,0,52727.6346262274,62440.7041681922,91986.1128442496,76907.6735542042,75829.6098403296,1719.29308964931,71978.3470066406,5.38767556234759,{"v":6.29740344343956e-06,"d":"6.30E-06"},{"v":7.73854000068823e-05,"d":"7.74E-05"},0.0849208276254401]
["NEG04990","Salbostatin 6'-phosphate",194.716,400.102614465199,9457.66776321205,16127.411925438,1848.69513159636,13196.0979817806,9673.81973356699,0,0,0,0,0,10060.7385071188,1,-13.2964485894099,0.00298348602284942,0.010650545075982,0.0294043452216843]
["NEG06064","S-Adenosylmethionimine",32.4045,354.151639958881,121796.907935587,166122.091745684,210140.518785308,118394.181632588,84258.7132093288,5407546.27902498,5811911.13824963,5772446.94126822,4140022.29076651,5760659.35920489,140142.482661699,5378517.20170285,5.26224222795926,{"v":1.89942915481482e-07,"d":"1.90E-07"},{"v":8.66953735661907e-06,"d":"8.67E-06"},0.739415491602534]
["NEG05239","S-Adenosyl-L-homocysteine",170.306,383.114071581772,107472.908000047,44754.0820746946,40993.272383998,188756.563486653,43497.4648528466,296176.725014733,316115.950108489,365571.249361585,287957.083396273,331022.953504409,85094.8581596478,319368.792277098,1.90807947888546,{"v":8.04376800159293e-05,"d":"8.04E-05"},0.000525252179140514,0.152288417306676]
["NEG05680","S,S-Dimethyl-beta-propiothetin",38.7613,133.03138679333,81223.6095176668,171937.194286801,77332.0732267343,78327.2611184552,173386.567337874,605582.483541106,647654.997129497,618355.362136981,810585.966759118,545709.83608774,116441.341097506,645577.729130888,2.47098744927173,{"v":5.59090491889165e-06,"d":"5.59E-06"},{"v":7.29099641463625e-05,"d":"7.29E-05"},0.232503492609226]
["NEG05054","S-(L-Histidin-5-yl)-L-cysteine S-oxide",192.253,289.063175087681,1021.79596047585,1852.74551199,932.569873546937,0,2197.15918622689,874661.652215675,1177941.57748071,1157431.73169358,1165144.31197201,1194056.90983893,1200.85410644794,1113847.23664018,9.85727477978107,{"v":7.48754831655945e-08,"d":"7.49E-08"},{"v":5.53790825866423e-06,"d":"5.54E-06"},0.34160955131227]
["POS06729","S-(Formylmethyl)glutathione",171.5305,350.100463839709,0,0,0,0,0,30514.4630049693,135048.178051027,189680.30801986,230635.674104223,138585.340999498,1,144892.792835915,17.1446263095078,0.00257193445275195,0.00936829218824062,0.113494780814598]
["NEG06590","S-(2-Methylpropanoyl)-dihydrolipoamide",26.5549,276.108321891562,939954.008381478,975880.556192564,772502.018546543,822099.158254704,797794.714562179,34815.3046211693,11693.3237489891,30631.8677247497,5261.76658775915,35531.5214507416,861646.091187494,23586.7568266818,-5.19104645750414,{"v":3.41061396430325e-08,"d":"3.41E-08"},{"v":3.43512274250443e-06,"d":"3.44E-06"},0.295476059993864]
["POS06881","S-(2-Chloroethyl)glutathione",35.1363,370.082056463816,849014.934843043,1982611.08813795,1541583.71304453,1315800.30367472,1002735.17399169,269607.880839408,400865.284560526,246173.943147306,232631.297726753,219944.173175008,1338349.04273839,273844.5158898,-2.28902552749753,0.000798785556850955,0.00343885254648154,0.321638088151728]
["NEG06095","Rutamarin",32.333,355.154965988053,43339.1405797176,0,0,0,0,540073.536424034,607324.535925751,631147.035697506,312318.277805444,632102.615888619,8667.82811594352,544593.200348271,5.97336461424477,{"v":2.2268228352362e-05,"d":"2.23E-05"},0.000193785574747306,0.233224907851732]
["POS05727","Ropivacaine",34.334,275.214733974707,648360.878593742,2447034.37112132,1567001.75208074,1660474.98690021,584438.47388955,0,323046.41093569,0,75577.6807822838,0,1381462.09251711,79724.8183435948,-4.11502325950706,0.00619381995469907,0.0197751296626474,0.340891428555652]
["NEG05951","ringenin 7-O-beta-D-glucoside",34.52185,433.119056632592,930132.668589372,1930259.2276392,1600622.33444426,941637.974475413,1781201.49453592,18854.7380633861,35068.5476085427,44055.4075866507,80875.665125366,23420.5303062824,1436770.73993683,40454.9777380456,-5.15036883615832,0.000168155442032729,0.000953307087721671,0.369960212929141]
["NEG04261","Ribostamycin",357.073,453.225671651831,39032.93280129,30784.8867049314,44911.5892452065,32855.2030237294,29105.4071332393,0,0,2586.08067663744,2697.06545532716,0,35338.0037816793,1056.62922639292,-5.06367941973879,{"v":3.07220387930004e-06,"d":"3.07E-06"},{"v":4.83872110989757e-05,"d":"4.84E-05"},0.0596952072021149]
["NEG05733","Reduced haloperidol",37.4042,376.141572833493,1450955.73497233,1075911.09377615,1011580.11039353,507507.473823323,1143576.34571179,4226.24990097746,8245.46363499577,22591.2324211967,20739.8791641088,19103.9850791521,1037906.15173542,14981.3620400862,-6.11436339648433,0.000151927101917393,0.000877997321545864,0.311039641846258]
["NEG05259","rciclasine",166.736,306.057649958451,6173591.81022763,10670542.4216728,7689104.81705973,4122928.26907064,9332240.24605281,578306.929583423,2437531.81802937,2820392.27700437,2627920.46175762,2141608.26746372,7597681.51281672,2121151.9507677,-1.84071126351997,0.00203562805684075,0.0076580019329257,0.697321707187587]
["NEG02020","Randilongin",540.308,611.52562034548,483569.440893853,673656.517346795,255291.52256406,545606.8136861,535674.6300918,1677117.48349812,1464495.6262257,1296372.309053,1130686.7385026,1148547.98598862,498759.784916522,1343444.02865361,1.42951916597214,0.000132485848421034,0.00078699760954487,0.28741806269071]
["NEG06477","Quinolite",28.3239,166.013247880393,34198.8332002836,55008.2233761112,14158.3328212066,30275.6491823188,27587.3398048918,341317.641026193,623763.167847968,612387.950323052,448223.723754209,661769.710950419,32245.6756769624,537492.438780368,4.05906685435763,{"v":3.63600590001242e-05,"d":"3.64E-05"},0.000278490657375952,0.225733749291487]
["POS04704","Quinmerac",30.0573,222.028449807446,2281304.43842499,2440084.34296903,2218571.75949455,2495626.1550238,2096898.60406715,245087.790393176,282744.923291432,321983.111917618,534314.979182847,313704.079154311,2306497.0599959,339566.976787877,-2.76393538609848,{"v":1.79021576313423e-08,"d":"1.79E-08"},{"v":2.28789574528554e-06,"d":"2.29E-06"},0.455453824433313]
["NEG06482","Quicetol sulfate",28.2146,471.077567403024,346117.682126557,367947.376546691,274220.481875427,276100.383378547,398841.355706357,0,18455.6367640678,0,20250.3778861715,0,332645.455926716,7741.20293004786,-5.4252837470809,{"v":1.30343408631489e-06,"d":"1.30E-06"},{"v":2.76315671473294e-05,"d":"2.76E-05"},0.181732570086021]
["POS06237","Quercetin",28.7188,303.043164172399,6483.89020827896,21444.2172456504,10385.2539981906,10320.5705979739,0,2276959.96859138,2465378.5537187,2739770.43069648,2758823.56153797,2541265.45100304,9726.78641001877,2556439.59310951,8.03795698312086,{"v":2.59330421209444e-09,"d":"2.59E-09"},{"v":9.66654145058203e-07,"d":"9.67E-07"},0.518309822337174]
["NEG04362","Pyronaridine",332.616,516.229176348647,138883.61946502,227206.211027647,240259.578632094,230801.031920873,160443.110290328,468346.232507884,860413.95120744,1011322.51807909,836534.983005218,838869.426231444,199518.710267192,803097.422206215,2.00905096451132,0.000178031583052624,0.00100167958615646,0.241437865103657]
["POS06716","Pyrithiobac-sodium",73.7684,349.006582525171,370546.217352643,598154.737047345,355722.97569206,561864.966973503,8378.16677657204,0,84393.3890530493,101383.501834628,81231.8469337806,4339.06907912701,378933.412768425,54269.561380117,-2.80372920266349,0.0161644913715739,0.044965031035479,0.162833147175747]
["POS05478","Pyrithiamine",185.942,260.159554606533,8576.85785197308,18456.0927983772,8822.58973936559,8746.37000402343,18609.3492420851,66993.5619565915,263228.936461728,238075.535892793,259834.783053597,154874.613112192,12642.2519271649,196601.48609538,3.9589488523956,0.00127724313209603,0.00512846367133352,0.129068620313617]
["POS07481","Pyriprole",35.3428,494.010268538725,4291034.28403278,2872741.47044974,3281274.80486067,3464718.25607531,3778353.39222749,1651514.86751919,1796473.80142277,1571723.37532103,1648879.80704892,1424598.66351197,3537624.4415292,1618638.10296478,-1.12800043569626,{"v":5.26212151529248e-05,"d":"5.26E-05"},0.000370668811620524,0.432131023958517]
["POS04708","Pyrimidodiazepine",275.343,222.101725080249,0,0,0,0,0,104818.752014133,116374.051513338,134416.567633743,88060.9520983847,75139.9337449955,1,103762.051400919,16.6629193818518,{"v":8.67079927872117e-06,"d":"8.67E-06"},{"v":9.81885700600502e-05,"d":"9.82E-05"},0.10234509128749]
["NEG04515","Pyridoxine phosphate",298.565,248.034999034639,0,0,0,0,0,0,22129.0581837203,19456.0182384031,21212.1955687367,13463.3239479482,1,15252.1191877617,13.8967220897178,0.00587649577798301,0.0189377273882695,0.0357028544946965]
["POS05266","Pyridoxamine phosphate",205.8065,249.06011344149,144170.768651538,29603.6212084895,61339.9230428438,111888.323863091,115154.423479061,1062314.26938312,2027726.78916474,2421728.49922773,2031677.08611456,2155107.77877832,92431.4120490047,1939710.88453369,4.39131460043761,{"v":4.46881009783668e-05,"d":"4.47E-05"},0.000326617443915416,0.431031132648289]
["POS06639","Pyridafenthion",186.515,341.073926599227,139074.574188249,199291.573688783,111678.071491134,176096.094461262,112633.682808728,0,0,11201.0808675329,20618.4864790108,10103.5727627339,147754.799327631,8384.62802185552,-4.13931440107647,{"v":5.19493186392188e-05,"d":"5.19E-05"},0.000367092104697039,0.117995022978839]
["POS06847","Pyridaben",36.5037,365.14640367562,48723954.9067309,64552500.0568667,58005470.0958255,53365908.5841134,62212031.3193979,17902759.2296222,22846671.4867487,14066237.9862235,14243540.7124973,333476.509269623,57371972.9925869,13878537.1848723,-2.0474906183092,{"v":1.56954359427866e-05,"d":"1.57E-05"},0.000150655976334945,2.11734980658535]
["NEG05770","Pyraclostrobin",37.0285,386.093751514793,0,4756.50751681936,6320.79606607417,0,0,81882.1127933962,89632.1066157217,85735.1761061079,358779.026482223,256907.594864095,2215.46071657871,174587.203372309,6.3001972622303,0.0161482298592818,0.044947748699793,0.116791800751947]
["NEG05168","Pyraclonil",180.906,313.098394476553,181966.740594958,148339.184141503,108927.743789715,240997.242513497,124136.848898465,88759.2385210619,14548.9562596426,22250.6625623406,22731.4285081326,20846.769761826,160873.551987628,33827.4111226007,-2.24966248868123,0.00162974772604295,0.00630610863199838,0.107163822231335]
["NEG06182","Pyraclofos",31.85005,359.035796485135,733769.766996737,1069610.64445263,1208320.91544996,1037133.18411167,1370247.85881239,1547527.63683538,2121312.7459551,2118965.57540294,2753399.64404954,2479429.08181356,1083816.47396468,2204126.9368113,1.02408683054889,0.00119273076721464,0.00485449019267614,0.320816794122109]
["NEG04864","Pymetrozine",215.762,216.085129435832,24912.7619344017,23896.8506577909,40951.3817423593,20803.6133906529,28969.8599005672,106225.325736,135375.98918358,177478.792150376,331740.789791878,160258.993710397,27906.8935251544,182215.978114446,2.706956027537,0.00445236270923386,0.0149852659130196,0.115066633987238]
["POS00660","Putrescine",25.2399,89.1076078377768,275849.281306988,313873.956967186,368383.099231854,205067.504984735,275615.873542928,1804379.62916584,2903604.07133223,3012355.70944831,2489563.8807659,2889214.85032332,287757.943206738,2619823.62820712,3.18654203204651,{"v":6.27617594121841e-06,"d":"6.28E-06"},{"v":7.73370109781541e-05,"d":"7.73E-05"},0.488641273239999]
["NEG04305","Pteroic acid",342.514,311.082499600472,0,1024.60675483525,0,0,0,59370.6775668076,143378.606846731,147166.164582033,147147.107680123,120253.95306826,204.92135096705,123463.301948791,9.23479625756237,{"v":8.06350685382088e-05,"d":"8.06E-05"},0.000525372823366993,0.110274018559744]
["NEG04159","Pteleatine",370.982,289.134492666064,2221.33597974008,0,791.174114732402,0,0,26839.6325704702,68619.1498598981,108080.92960823,70769.0742870359,82825.5763511482,602.502018894496,71426.8725353565,6.88935706768952,0.000666262764474322,0.00296832006523271,0.0819328189057266]
["NEG05851","Psoralidin",36.3964,335.09164575042,161019.392239146,83994.0395139462,56021.8283547675,13604.9549085754,143047.150943633,152092.852266007,270768.906401384,229812.346751994,235838.575518012,228561.990054189,91537.4731920136,223414.934198317,1.28729125284163,0.00430491279018669,0.0146210135994723,0.109292765645991]
["NEG05191","Psicofuranine",177.278,296.099659458891,4898460.33573836,4862328.42879235,4363187.20974788,4779630.14091339,3945145.13341219,442749.481706151,753107.266419446,797910.751919081,599348.112401827,888044.444881287,4569750.24972083,696232.011465558,-2.7144752667546,{"v":5.10350449353038e-08,"d":"5.10E-08"},{"v":4.31627643692254e-06,"d":"4.32E-06"},0.636872300481396]
["POS06586","Pseudaminic acid",230.272,335.141870738838,0,0,0,0,0,48195.5699086832,157526.957874386,155043.653413023,142981.712371243,115357.702285681,1,123821.119170603,16.9178978788449,0.000292823908095687,0.00150379028807349,0.108805264350063]
["NEG01875","PS(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",546.476,862.553022759958,10619249.5840653,7887459.83784642,8270569.76434536,12680280.115813,7913485.702442,2839111.49634947,3422259.7654596,4348923.32116832,3386676.8793302,3485823.6260495,9474209.00090242,3496559.01767142,-1.43806964176608,0.000287606190559835,0.00148039412010834,0.757806654481071]
["NEG02091","PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",535.5035,832.506251465775,3751162.19775958,3342002.45853336,1793281.38307178,4228288.97249127,2952945.77168422,545284.54770396,834598.409241957,1123166.69843559,813191.538272615,658789.533210705,3213536.15670804,795006.145372965,-2.01512378723134,0.00045859470274993,0.00218222777170259,0.473883712186876]
["NEG02094","PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",534.995,834.521859174513,71616405.7878626,56505055.8634242,60311311.546995,93470859.1263382,57951944.1930278,13458240.3266914,18624861.3639399,22029910.9169557,17112719.2877848,16751721.1395704,67971115.3035296,17595490.6069884,-1.94971605480752,{"v":9.71071684390491e-05,"d":"9.71E-05"},0.000616989154016856,2.23379758023366]
["NEG01907","PS(18:0/20:4(5Z,8Z,11Z,14Z))",543.814,810.52152892916,1717094.99568805,1332953.5646965,1499734.89545706,1881490.35110059,1074164.39043397,180745.181969281,245972.758754814,285316.794558281,284146.724482822,213766.314597935,1501087.63947523,241989.554872627,-2.63299152757819,{"v":2.19875821164694e-05,"d":"2.20E-05"},0.000192090732044859,0.357940016243008]
["NEG02468","PS(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",524.81,804.474836623735,1823596.13640307,1451094.96412591,1020664.29527809,1831658.61017748,1506651.49895088,130182.871895723,214714.125672524,286401.421199182,135337.214656625,192541.86623576,1526733.10098709,191835.499931963,-2.99250624974946,{"v":2.17810871337097e-05,"d":"2.18E-05"},0.000190659105184117,0.363088176968306]
["NEG02505","PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",522.937,806.490611302573,28833901.306349,22368112.9866914,25736268.8941888,37112117.767632,23980898.3672874,2695291.22869548,3703173.6605891,4410226.6481036,3057833.91229064,3384680.03826843,27606259.8644297,3450241.09758945,-3.0002263589211,{"v":1.56689306479897e-05,"d":"1.57E-05"},0.000150655976334945,1.56845375886986]
["NEG02140","PS(16:0/20:4(5Z,8Z,11Z,14Z))",531.4925,782.490732707582,14907332.2532276,11877605.098148,13778475.2012417,17462071.51487,13019017.8383792,2523451.30449458,2962769.87611336,3287768.22076869,3191574.64052265,2855490.30315248,14208900.3811733,2964210.86901035,-2.26107492221846,{"v":2.59722500495291e-06,"d":"2.60E-06"},{"v":4.25545327734593e-05,"d":"4.26E-05"},1.07794590979228]
["NEG01976","PS(15:0/18:2(9Z,12Z))",542.1825,744.489867230581,372783.566741427,546482.606472053,410696.3540953,285684.263894451,185427.020190642,637240.095090269,1179131.61469243,1415006.52325353,981964.515212886,960839.249317509,360214.762278775,1034836.39951332,1.52247349370517,0.00146486435378811,0.0057780760621642,0.246153093662468]
["NEG02161","PS(15:0/16:1(9Z))",530.9595,718.474542840259,3753354.99640744,3064792.48760634,3481988.82247702,4651515.72201151,3003150.93620687,972604.933603572,1570713.53363695,1718793.71050168,1300398.1181564,2052799.81942289,3590960.59294184,1523062.0230643,-1.23739512767936,0.000362872636920844,0.00179549701874661,0.445153142329256]
["NEG02188","PS(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",530.148,752.447550362453,1545310.95335528,881130.729513282,1578790.73807584,1506835.54393169,1106536.23606675,23777.0882556897,56263.5159800298,48913.296323698,53207.951314778,42421.2517674512,1323720.84018857,44916.6207283293,-4.8812057020546,{"v":1.65257775497636e-05,"d":"1.65E-05"},0.000154968140419482,0.361141805612953]
["NEG02970","PS(14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",483.054,724.412456234709,51930.7061033805,27754.3776556626,92814.1105666818,80720.440532995,67041.6371063027,0,0,0,0,0,64052.2543930045,1,-15.9669617283267,0.000486391233903774,0.00229254793387943,0.0789431982737361]
["NEG02805","PS(14:1(9Z)/18:3(9Z,12Z,15Z))",500.702,726.427994819,1392709.92578953,1188255.67798922,1823114.51293779,1745866.34806222,1448197.44991655,90325.6446155037,106728.810844315,148220.572697388,107222.434154087,66183.7861016115,1519628.78293906,103736.249682581,-3.87272691919,{"v":2.12801554198153e-06,"d":"2.13E-06"},{"v":3.78768898836547e-05,"d":"3.79E-05"},0.385267827246227]
["NEG02754","PS(14:1(9Z)/14:0)",506.315,676.419314328905,327474.235772346,211722.887228645,414774.957684741,338895.124028309,264706.535184363,7585.71258365626,22371.0275994145,26260.6952265235,18864.679401857,28791.8725707493,311514.747979681,20774.7974764401,-3.90639414805233,{"v":3.12996312705798e-05,"d":"3.13E-05"},0.000247355566560607,0.172255589907645]
["NEG02501","PS(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",523.2765,778.45948567057,832462.360584948,588288.48588737,698033.34093441,1037876.10081902,551630.477693454,49933.5242084228,162535.245772755,186861.860374517,98481.4007268934,66782.6902988475,741658.15318384,112918.944276287,-2.71546682402676,0.000140005780340849,0.000824007704558706,0.249347138940888]
["NEG02597","PS(14:0/20:4(5Z,8Z,11Z,14Z))",517.943,754.459475510236,19236185.2074892,13765961.3051188,18830691.3013957,25222230.6651139,18014526.6390747,1689930.47833288,1866278.49524376,2384383.07193373,2145234.71836602,1870654.91282925,19013919.0236385,1991296.33534113,-3.25527608419812,{"v":1.49239170095309e-05,"d":"1.49E-05"},0.000146071511561557,1.31729157795511]
["NEG02799","PS(14:0/18:3(9Z,12Z,15Z))",501.541,728.433389697435,56799.1266276133,17159.9830552309,40306.8913557024,58693.0339742113,39212.1408244045,0,0,0,0,0,42434.2351674325,1,-15.3729410541746,0.000476195041172609,0.00224922958729153,0.0631242102721959]
["NEG02193","PS(14:0/16:1(9Z))",529.889,704.451272905517,2456313.30248084,1441883.52886494,2252958.91849673,1860158.01628009,1597751.85968556,36209.4192877486,45539.9189678267,61098.8450017658,103679.53314427,49100.5605969752,1921813.12516163,59125.6553997173,-5.02253997612903,{"v":1.06392633093836e-05,"d":"1.06E-05"},0.000115228631435528,0.43506051537771]
["NEG02418","PS(14:0/14:0)",526.682,678.435275682351,955248.155271304,625741.443247125,928654.825282254,760372.998188016,875862.540868773,4270.91167109151,5344.88364415193,5112.31385448975,18715.9949283095,5987.12134538515,829175.992571494,7886.24508868557,-6.71619598875048,{"v":8.79501792299381e-07,"d":"8.80E-07"},{"v":2.19777179718164e-05,"d":"2.20E-05"},0.290929871164677]
["POS07965","Prunin 4'',6''-di-O-gallate",35.204,739.15195288089,1152977.66168948,1348185.42782513,1166009.58597372,1453446.11373837,928791.635612461,0,0,0,0,0,1209882.08496783,1,-20.206435018707,{"v":9.11821485747936e-07,"d":"9.12E-07"},{"v":2.24395332808139e-05,"d":"2.24E-05"},0.356222010166332]
["NEG03420","Protoverine",432.199,524.298887584642,2533315.31344554,2632313.86107887,3219047.76505319,2961463.77959832,2525502.52294969,455310.620784989,544832.196588855,767048.404815568,694076.719114843,611676.428374133,2774328.64842512,614588.873935678,-2.1744451454038,{"v":4.54913996014315e-07,"d":"4.55E-07"},{"v":1.47614811103137e-05,"d":"1.48E-05"},0.477924217789998]
["NEG04867","Prothoate",215.1805,284.053795681117,0,0,0,0,0,59459.8028153686,124181.033362152,185525.33767036,172838.023407525,143282.347178164,1,137057.308886714,17.064419739583,0.000266831949548047,0.00138945204927638,0.115271262690157]
["POS07179","Prosulfuron",34.9518,420.089221133889,273860.814343759,55273.4279940723,306276.563537349,131543.194793185,741281.741077135,837859.226137006,1814011.98480047,1016547.03796372,1319380.50072901,993113.450228281,301647.1483491,1196182.4399717,1.98750359514316,0.00276707569191854,0.0099654827455327,0.280576486825774]
["POS05318","Prosulfocarb",363.32,252.13917746993,69855.2558283466,85194.7980012027,192736.340072922,135631.420924214,130251.527163118,0,0,10652.5361266279,0,0,122733.868397961,2130.50722532558,-5.84819266103001,0.000536356893987145,0.00248099729762617,0.108855318188398]
["NEG03889","Prostaglandin D2-1-glyceryl ester ",405.884,425.250299781787,6336.8081564616,11066.4451051002,9489.85565026806,12051.4460128275,5571.42341101481,6389.80051840777,3131.20779489565,1098.72517738407,1190.3535215865,1732.20683983432,8903.19566713443,2708.45877042166,-1.71685113303639,0.00498693573159081,0.0165601807924318,0.0236495378573744]
["NEG03641","Proscillaridin",413.6615,529.289323032987,250370.620334654,284115.56920629,316033.931004576,314323.923528006,290954.395828383,95789.9212311023,105717.095334069,170226.914186241,127027.01711794,130221.44326233,291159.687980382,125796.478226336,-1.21071909010017,{"v":1.32698361539441e-05,"d":"1.33E-05"},0.000134899947992254,0.130376344934333]
["NEG04306","Propyl cinmate",342.221,189.091022256494,3251327.16993557,5396445.22606376,5335825.69477525,2604263.25679115,6243472.68868504,223103.129291124,227389.506643318,239988.165718914,230204.261657354,236602.131170061,4566266.80725015,231457.438896154,-4.30219632298877,0.00025026663455134,0.0013185425869825,0.646423598956988]
["POS05881","Propetamphos",362.517,282.094395002948,0,0,0,0,0,62872.6215819239,206268.111702751,254621.182977502,209996.360669018,146711.073378005,1,176093.87006184,17.42598516336,0.000710634649718232,0.00312861101199769,0.128048606770253]
["POS05921","Procymidone",31.3937,284.020827952663,598852.307131494,791610.665667875,726526.658280396,782954.976442454,379293.820220549,159686.960454484,134785.228900078,227814.341525673,26584.7334635427,119463.093503452,655847.6855485539,133666.871569446,-2.2947188538805,0.000251207360211198,0.00132194179085257,0.228046744114452]
["POS05683","Procaine hydrochloride",377.4905,273.135799577877,606212.956017228,517185.984753035,772061.347726929,586218.525652449,513928.506145247,7679.9031958261,0,0,10242.0938861325,0,599121.464058978,3584.39941639172,-7.38497330145144,{"v":1.41668347429371e-06,"d":"1.42E-06"},{"v":2.92404658096148e-05,"d":"2.92E-05"},0.249997335094298]
["POS05472","Proacacipetalin",31.92825,260.113398405186,26237181.6603753,26270943.3032947,24731444.3280871,24383052.0782032,21288800.4243167,8340191.81398823,10014279.9480123,11210942.666238,9951694.99871452,11184645.498411,24582284.3588554,10140350.9850728,-1.27751139851905,{"v":7.50379842980394e-07,"d":"7.50E-07"},{"v":2.01948826259416e-05,"d":"2.02E-05"},1.22397667325393]
["NEG05853","Prenyl caffeate",36.3959,247.093051161345,74671.6317943108,61040.3131839835,40089.8538568488,0,44082.9990551493,153679.80676735,156564.265361802,232661.611297317,166587.152798183,195462.825650952,43976.9595780585,180991.132375121,2.04109924490421,0.000110057099426967,0.000680892677367665,0.117507109517538]
["POS07839","Prednimustine",495.8295,646.27578609111,0,0,0,0,0,65116.6788489138,115559.523662202,376968.246937136,225196.555762456,193279.602858761,1,195224.121613894,17.5747717956917,0.00649205265862898,0.0205950010936506,0.128828455863642]
["POS06908","Prasugrel",37.2843,374.129314338936,15187.774107509,0,0,0,0,280890.607815391,334550.819496001,382820.182693514,375976.678112043,332282.435666769,3037.5548215018,341304.144756744,6.81200367765716,{"v":8.43270155334599e-08,"d":"8.43E-08"},{"v":5.62977224598756e-06,"d":"5.63E-06"},0.188385863215166]
["NEG05967","Pradimicin C",34.50465,825.248842366818,1605736.06830479,1933621.61923041,2051648.30460652,1592788.66382478,2094256.64016265,0,0,0,28850.282812109,0,1855610.25922583,5770.0565624218,-8.32909255098191,{"v":1.38078806323202e-07,"d":"1.38E-07"},{"v":7.1117340094531e-06,"d":"7.11E-06"},0.440368446688791]
["POS07928","Pradimicin B",34.8702,709.224333219687,870769.241593562,821989.167515553,668459.401896532,750480.439351761,468758.864531018,101132.993732902,232705.629729823,162399.266070602,181036.741898975,82792.2917240105,716091.422977685,152013.384631263,-2.23594543012699,{"v":7.25338432012779e-05,"d":"7.25E-05"},0.000484244597969129,0.237211244179195]
["POS07499","Postin",414.395,497.331016455397,1063334.0229587,1190864.91501555,1064367.19574097,1001367.13931076,1017038.69527658,165507.113089215,465614.842731517,671169.297899565,495748.879639225,440785.657883706,1067394.39366051,447765.158248646,-1.25327916102303,0.000106973626276356,0.000666424833334459,0.246656398308353]
["NEG06489","Portulacaxanthin II",28.1106,373.101296259382,4652948.94672916,5547759.52564754,4452729.36155157,4922707.94023543,5968402.13141068,466483.089809246,805092.260080445,676796.473460079,805533.951493176,703374.344398961,5108909.58111488,691456.023848381,-2.88530599780695,{"v":3.41483963539812e-07,"d":"3.41E-07"},{"v":1.23182078138192e-05,"d":"1.23E-05"},0.675398985716602]
["POS03526","Polyvidone",28.55465,178.058083718384,260421.342389985,289694.932475744,195879.742756449,251785.53432115,199699.97641471,1396689.87024716,1670902.76369973,1767058.74440457,1516424.94920626,1552539.7083819,239496.305671608,1580723.20718792,2.72250945936039,{"v":3.77968411906895e-08,"d":"3.78E-08"},{"v":3.59109057567749e-06,"d":"3.59E-06"},0.375034661574092]
["NEG02538","Polypodoside C",520.8855,751.440563616495,3151681.57355644,2364701.52895442,3633355.1776864,4060526.35686124,3171813.80366789,66793.8416003187,130699.767420279,173800.671505702,120391.158036974,97914.0400108473,3276415.68814528,117919.895714824,-4.79623934862212,{"v":3.75740897971635e-06,"d":"3.76E-06"},{"v":5.56519548552028e-05,"d":"5.57E-05"},0.572529795463985]
["NEG05469","Pivampicillin",81.2716,462.17735468208,0,905.051387621561,0,0,0,139041.669790276,277768.574836904,266909.519836278,214650.695380166,240448.82119098,181.010277524312,227763.856206921,10.2972514949812,{"v":1.57587220651397e-05,"d":"1.58E-05"},0.000150738842331764,0.151726559235911]
["POS06576","Pirimiphos-ethyl",229.964,334.138520441424,0,0,0,0,0,726181.284922399,1170668.27373608,1239244.01405611,1085513.07216068,1059785.61100369,1,1056278.45117579,20.0105587706645,{"v":2.22026154432091e-06,"d":"2.22E-06"},{"v":3.89459995597938e-05,"d":"3.89E-05"},0.329886594895459]
["POS05070","Pirimicarb",202.115,239.148130407198,873150.629966906,769204.321599848,794792.35000899,961384.406082374,873465.872305591,165018.187063771,417172.576264488,276668.532509442,296749.037958867,292727.771345569,854399.515992742,289667.221028427,-1.5605143924218,{"v":4.86771483191753e-06,"d":"4.87E-06"},{"v":6.5582194105925e-05,"d":"6.56E-05"},0.240521366960196]
["POS05114","Pirbuterol",38.3844,241.153789971259,7661658.88458349,8077285.0811937,7580287.52065344,15009119.4577068,7281960.82638032,1198291.95608446,1786537.27493116,2330545.7169763,1729047.66613439,2401056.56406923,9122062.35410355,1889095.83563911,-2.27166413892775,0.00128366344807011,0.00514962027194403,0.821097142126293]
["NEG06180","Piplartine",31.8514,316.116205154968,20940648.1425345,19308862.6747872,17520915.8417106,23376707.3604055,15877511.5488714,5004503.80555244,5602595.99343428,6075316.01653711,5029362.62475394,6001848.0453657,19404929.1136618,5542725.29712869,-1.8077557498221,{"v":6.10023371512573e-06,"d":"6.10E-06"},{"v":7.68629448105842e-05,"d":"7.69E-05"},1.19159814021446]
["POS04956","Piperazine adipate",188.4395,233.148722457183,18940.4145181147,28602.6190938083,30420.2357554284,35806.3382075776,33698.1345743678,119365.369706989,422824.693831094,396279.705276271,388767.686667281,369232.501425763,29493.5484298594,339293.99138148,3.52406456974711,0.000535078753500738,0.00247764727164472,0.170913468407162]
["NEG05833","Piperacillin sodium",36.5832,538.127769589182,4130.3633214458,14420.1742287496,14810.0793463181,0,11475.9309641419,76623.7996755113,107689.513550238,254840.639558992,30477.3797335978,173246.051160076,8967.30957213108,128575.476735683,3.84179648899465,0.0159561488039794,0.0445517188515604,0.0973487798977913]
["POS07567","Piperacillin",178.5865,518.171364329507,0,0,0,0,0,127748.752227204,213151.756462131,248263.628204464,169347.550964968,157825.366239424,1,183267.410819638,17.4835907386074,{"v":2.54247367538804e-05,"d":"2.54E-05"},0.000212173222947961,0.135482683373357]
["NEG02579","PIP(18:2(9Z,12Z)/20:1(11Z))",518.552,967.540710041158,62002.4073003703,71369.678066418,41402.415278673,74114.723523874,24316.1100338959,0,0,0,0,0,54641.0668406462,1,-15.7376980313818,0.000430612763721924,0.00206444897334209,0.0724177167251578]
["NEG02506","PIP(16:1(9Z)/18:0)",522.932,887.48981101803,671868.377962164,506834.370111047,513481.635177547,894971.358171111,529846.134767793,44603.6396941006,91620.0070460339,100284.645856584,48244.3627728612,42589.5682260684,623400.375237932,65468.4447191296,-3.25128741184498,{"v":7.61522776358282e-05,"d":"7.62E-05"},0.000502402858208052,0.235359420081914]
["NEG02197","PIP(16:0/22:2(13Z,16Z))",529.843,969.555659223189,363156.634230574,374276.665404095,298633.294069768,456657.492791673,233986.613452587,0,12475.1647738176,0,7424.79348750293,7239.58668301284,345342.139989739,5427.90898886667,-5.99148604703794,{"v":1.78582734219006e-05,"d":"1.79E-05"},0.00016368864142656,0.186230570487816]
["NEG04982","Pinolidoxin",196.2625,337.161453668268,35498.1114251748,34058.4700483214,24861.6656806888,26109.5510529144,29858.6657518133,84440.2496183062,76268.9941268155,61797.8838722288,98405.1320035721,82137.048223086,30077.2927917825,80609.8615688017,1.42228162631182,{"v":4.30131917933179e-05,"d":"4.30E-05"},0.000318013234531423,0.0713881102795042]
["NEG05834","Pinocembrin 7-rhamnosylglucoside",36.5832,563.182449899912,2672656.00417177,2708764.37882821,2752593.04611639,2711632.55123155,2429287.39399974,660797.627396518,918007.36223159,1052832.99312297,1121072.48155675,935887.69514502,2654986.67486953,937719.63189057,-1.50147607830976,{"v":1.11942571980028e-07,"d":"1.12E-07"},{"v":6.76647465495494e-06,"d":"6.77E-06"},0.424975759737251]
["NEG00619","Pimelate",673.736,159.065188880758,1211196.66330182,1164448.36338519,1152209.20532424,1563463.61295403,1254202.50752841,1846863.92879531,3037422.07142637,3795002.41801045,2696522.45213759,2240492.83199003,1269104.07049874,2723260.74047195,1.10152474129286,0.00287787233684501,0.0102981783701662,0.355877444131515]
["NEG05931","Piceid",34.7428,389.119167799685,7843288.1960913,6008158.84200885,5827490.995358,8258880.13630314,7376253.42617443,465396.046707433,237933.248384292,571229.539462727,366933.965616495,494639.29777993,7062814.31918714,427226.419590175,-4.04717039781665,{"v":8.77005338619687e-07,"d":"8.77E-07"},{"v":2.19777179718164e-05,"d":"2.20E-05"},0.824178465831889]
["NEG01876","PI(16:0/20:2(11Z,14Z))",546.4735,861.549498742424,20709171.4953403,15561968.3012932,16593598.604956,25601654.6901842,15455880.947113,5743177.47261951,7135781.23832424,8292850.18164847,7071485.38950999,6763805.15041839,18784454.8077773,7001419.88650412,-1.42381980930762,0.000361785897185886,0.00179210223489753,1.06303686022548]
["NEG01883","PI(16:0/18:0)",545.132,837.540348954106,107734381.210068,82645973.659558,71343348.5024521,119282712.686916,78368846.5914796,24049557.1936702,29342902.7031459,34784488.951156,30431719.9657907,27923382.9462843,91875052.5300947,29306410.3520094,-1.64845690193453,0.000155283875066049,0.000893931497001852,2.45843992944851]
["NEG02502","PI(16:0/16:2(9Z,12Z))",522.999,805.48727252724,62843925.4742926,49493576.4800313,58840929.3744134,81587816.0272398,53064118.5915971,5935768.26744907,7985652.90309051,9517385.923614,6857535.54975232,7509522.25434963,61166073.1895148,7561172.97965111,-3.01604969419682,{"v":1.22537129822734e-05,"d":"1.23E-05"},0.000128062752732965,2.34197606356888]
["NEG02107","PI(16:0/16:1(9Z))",533.363,807.502992526681,637731791.016203,527901424.09445,541223501.565642,778977540.517451,520768234.064846,86463010.6664477,115483202.194185,137861000.339287,101368166.850556,102649474.493739,601320498.251718,108764970.908843,-2.46692014522938,{"v":9.39416146336155e-06,"d":"9.39E-06"},0.000104527572700538,7.09341965707723]
["NEG01904","PI(16:0/16:0)",544.0505,809.517128689426,87729595.7843007,72726730.57305,73841574.6849287,107557257.517421,71039876.6081909,11465577.2955585,15312487.6285213,18482395.5401372,13821525.8855253,13360192.4755489,82579007.0335783,14488435.7650582,-2.51087322738544,{"v":1.06096865929932e-05,"d":"1.06E-05"},0.000115187204200143,2.63583360404775]
["NEG04299","Physagulin C",344.6135,541.241527520882,185654.197072876,147783.177167056,245361.765519279,199850.865591899,159218.854326179,1472.06820228497,6182.29556686705,6769.04667494407,2217.10029912811,0,187573.771935458,3328.10214864484,-5.81661458812159,{"v":5.06831633426529e-06,"d":"5.07E-06"},{"v":6.76733700393094e-05,"d":"6.77E-05"},0.138690273479306]
["POS07340","Phylloquinol",388.9945,453.366945088449,42002.4574031004,231679.547146825,163498.013505522,133121.813552466,407491.780127333,495934.100278382,609324.494686671,796156.673344854,399456.454013241,597447.041945149,195558.722347049,579663.752853659,1.56761438992845,0.00274571558730201,0.00990450469516282,0.185163099307492]
["NEG05022","Phrymarolin I",192.464,487.112498103104,0,1920.77688042903,972.433122115578,0,0,370521.193345492,434393.602028928,145919.0824879,114608.005439255,460303.376502737,578.642000508922,305149.051960862,9.04262734836819,0.00312387566361653,0.0110985669923406,0.16363798784941]
["NEG06629","Phosphophosphite",25.8849,274.025003553979,402259.852217956,615107.562228073,347403.121280025,433403.684512208,382989.024730202,36062.8957938114,60774.7892976999,32595.3193514173,24535.5213259613,25073.2320456511,436232.648993693,35808.3515629082,-3.60672973890685,{"v":2.90297623339816e-05,"d":"2.90E-05"},0.000233543393740826,0.200778432720508]
["NEG05215","Phosphonoformyl-CMP",173.465,430.010853327204,69395.5825597049,71105.5358340924,71058.3070408838,69397.0875494692,79957.6053009659,3127.2373610404,18609.0728589067,45389.4017414016,37568.7942824438,29119.6022921047,72182.8236570232,26762.8217071794,-1.43142534698693,0.000349225622718122,0.00174427205207748,0.0654165975475343]
["POS01808","Phosphonoacetaldehyde",31.7541,124.99905051839,3132052.61367381,3227461.05582333,3072013.71587876,3078658.53790857,2466352.32088451,831250.484642333,782730.558214701,1056052.16608336,872832.763778685,1027708.80080578,2995307.6488338,914114.954704972,-1.71225668200848,{"v":5.60266976909685e-07,"d":"5.60E-07"},{"v":1.65965177994505e-05,"d":"1.66E-05"},0.466062481485706]
["NEG06058","Phloretin",32.4557,273.079249128759,0,0,0,0,29748.8870743352,388921.476598401,601780.819296805,734194.98764198,502218.609016725,456939.358978414,5949.77741486704,536811.050306465,6.4954348623845,{"v":2.2469400521952e-05,"d":"2.25E-05"},0.000194459239020514,0.231027581707043]
["NEG05029","Phenylacetylglutamine",192.29,263.103502386917,4329.69393143385,2830.93508055125,4540.38634214605,0,3309.71080431808,1080245.61661472,1356327.67546287,1631748.33103007,2007945.64115229,1453544.68786159,3002.14523168985,1505962.39042431,8.97047625515125,{"v":1.01671825048604e-05,"d":"1.02E-05"},0.000111721937175455,0.391419177634107]
["NEG05177","Phenylacetaldehyde",179.304,119.04867735745,565651.410347009,130411.566411412,51278.3109748566,451556.763798628,18781418.6053829,19054374.3558332,18064004.0799478,18102732.9637568,20833907.4907056,18446054.9100194,3996063.33138296,18900214.7600526,2.24175127475289,0.00399277434852094,0.0136855782842407,1.15679389470081]
["POS04463","Phenthrene-3,4-diol",24.97585,211.073975215066,201096.193068665,97166.4591254562,55707.4111660344,163194.605248927,141504.035793007,225791.218665218,352051.644754838,734445.835037629,268023.641530711,574111.967416811,131733.740880418,430884.861481041,1.7096775028261,0.0173604462442375,0.0476478379159433,0.155331619803736]
["POS03895","Phensuximide",301.9275,190.085160070239,13233940.6285128,12607151.1900666,12060633.6074148,12721424.788684,10260794.1965268,1119428.85769255,1791708.36024832,1458751.43460216,1517753.1469589,1523975.09837741,12176788.882241,1482323.37957587,-3.03820161158415,{"v":3.53265473184001e-08,"d":"3.53E-08"},{"v":3.43512274250443e-06,"d":"3.44E-06"},1.06058631477648]
["NEG05800","Phellamurin",36.8593,517.176755349539,369381.078042777,341041.522523381,273494.549867759,716875.846467385,380301.7442206,24619.50201431,0,0,0,5475.76247543315,416218.94822438,6019.05289794863,-6.11166233873724,0.000739169301999069,0.00321312370052656,0.196307624111516]
["NEG05700","Phecemide",37.7829,177.064116393389,165378.224601764,231333.29149699,237708.661093415,344095.797861323,495050.60487151,66652.9451676465,68637.5426213757,75429.864874725,99605.4416805905,70503.4013724135,294713.315985,76165.8391433502,-1.95209625687911,0.00548453898407115,0.01793299917818,0.135176835350388]
["NEG02775","PGP(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",503.674,899.505532062875,24172.0547735043,31500.668908512,15304.3142195815,20708.3951053089,35665.39418261,35408.8639231215,96275.316783994,100439.960414261,91629.4672462431,82050.4415835458,25470.1654379033,81160.8099902331,1.67197493289127,0.00201888031024099,0.00760139025901341,0.0711043322108424]
["NEG02587","PG(i-12:0/18:2(9Z,11Z))",518.2865,689.440272705221,148138.524915314,117772.304152358,167666.542261477,330085.009651059,150372.128109897,0,0,0,0,0,182806.901818021,1,-17.479961014366,0.00127040995978533,0.00511480085519333,0.13085924175536]
["NEG02021","PG(a-13:0/a-17:0)",540.308,693.470917144781,877265.318238561,721291.942252996,702746.517750438,1310189.30997739,776843.355758012,26096.9202132839,157322.759347596,321107.007353446,232740.648497047,143007.010590572,877667.288795479,176054.869200389,-2.3176490094092,0.000441940387926527,0.00211196512307196,0.258616969657769]
["NEG02401","PG(a-13:0/a-15:0)",527.217,665.439898609351,3344417.37258865,2667533.4182761,3237323.30227889,4181829.85034406,3016167.64649953,720621.719281759,1097975.48983991,1453148.29349739,1356517.28979503,938187.411230683,3289454.31799745,1113290.04072895,-1.5630187767091,{"v":6.08192692816789e-05,"d":"6.08E-05"},0.000413441628414818,0.467085964422627]
["NEG02677","PG(a-13:0/a-13:0)",512.773,637.408449913603,160655.817265355,124740.525441308,230782.737507331,205261.23582021,148710.419286449,53453.4310887178,56122.4327272496,86777.5831761211,36054.3825710978,36673.7307157623,174030.147064131,53816.3120557897,-1.69322181037016,0.000497777045025117,0.00233391689978758,0.108627260784127]
["NEG02492","PG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",523.8015,867.523721517599,291392.108813292,283567.298357277,247252.051692036,312518.590438237,240929.162043836,7298.07933081586,150720.391888504,138922.999534852,112848.06702682,172268.898685155,275131.842268936,116411.687293229,-1.24088721238095,0.00109394821813522,0.00451821826382165,0.120312457274561]
["NEG02231","PG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",529.134,819.504296738217,775140.942418096,615626.53577,729892.653724066,999252.565837907,606042.529145853,89793.8807019216,145816.489028472,192147.968867027,199096.471637627,122021.895429222,745191.045379184,149775.341132854,-2.31481021874289,{"v":4.31762512343181e-05,"d":"4.32E-05"},0.000318692032625586,0.245319906825008]
["NEG02031","PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",539.244,821.518262366513,7153903.53705412,5879884.53554003,5330352.00860668,9623209.07379347,5489661.73687083,1651775.76815978,2538683.37145082,2830998.82774113,3812314.56658243,2138708.70448339,6695402.17837303,2594496.24768351,-1.36771626836711,0.00159641092080564,0.00620934439022924,0.611322900577467]
["NEG02156","PG(16:1(9Z)/16:1(9Z))",531.1175,717.471125363021,8711149.77289225,7132973.11852864,7888389.90726709,10668313.489509,7218170.9589256,2306782.12503566,3893143.92758175,4286415.67151842,3128086.98918184,3583360.90222695,8323799.44942452,3439557.92310892,-1.27501905449717,0.000161406097822704,0.000920879433113464,0.692516120625646]
["NEG01782","PG(16:0/20:3(5Z,8Z,11Z))",553.792,771.517893329691,128030.550095628,133728.300078686,84455.3873462867,192957.698615118,113906.414210622,477618.637646445,868495.44406806,1046301.86992417,814562.272761818,827340.712712989,130615.670069268,806863.787422696,2.62699715357992,{"v":9.22497364033418e-05,"d":"9.22E-05"},0.000592013014249854,0.258528357726437]
["POS06755","Petunidin",165.329,353.03918951945,5861.59861470621,11517.0812708239,7774.63772074052,11405.1175948978,0,0,72988.7948956013,49341.1530356046,73584.9659799648,90995.0310760696,7311.68704023369,57381.9889974481,2.97232175062294,0.01379263809367,0.039195978521592,0.0630273832394059]
["POS04503","Perseitol",28.3371,213.098860785483,770660.969414121,1210717.77823864,1131355.07946402,1107580.3970789,649047.591734044,45886351.4511021,67134879.9358373,65283497.7339775,68232336.7541781,55457763.1440933,973872.363185945,60398965.8038377,5.95464733318316,{"v":6.96846514616049e-07,"d":"6.97E-07"},{"v":1.92407065424542e-05,"d":"1.92E-05"},2.4779954790691]
["NEG02350","Perphezine",528.471,402.131587658428,289078332.160347,295868512.021791,282580404.347089,293724039.900652,277623320.941556,17827136.9648515,23622801.3302912,27782272.1491675,26812545.4176723,24632710.289172,287774921.874287,24135493.2302309,-3.57571265904582,{"v":2.20929740217364e-12,"d":"2.21E-12"},{"v":4.94109363996135e-09,"d":"4.94E-09"},5.28298153426962]
["NEG05944","Perlolyrine",34.563,263.076719369737,9357.07420285772,0,24152.9713315262,9910.28331062146,0,93648.4576780856,226593.369781974,175632.294954377,168101.643890735,146159.014627506,8684.06576900108,162026.956186536,4.2217193896226,0.00011732544848635,0.0007179161847872,0.121682534718603]
["NEG04361","Perindoprilat glucuronide",332.616,515.225824271368,436912.896128754,415874.427216058,618746.928277215,443077.93863097,528240.477336265,2430008.01385223,4724489.19008639,5940070.87417677,4786755.7429591,4855150.05476915,488570.533517852,4547294.77516873,3.21836976873858,0.000107511962408106,0.000668847020655716,0.632733826300644]
["NEG04189","Perindopril Acyl-beta-D-glucuronide",366.3875,543.257170994631,50239.7466178662,98582.9605700407,82026.5437375497,40381.0035388668,54620.8818329152,3044.18599140067,2040.47167524846,5618.08844891092,2591.71894322053,0,65170.2272594477,2658.89301175612,-4.61531539340911,0.000430083383417162,0.00206412336268773,0.0779147517044979]
["POS04832","Pentobarbital",45.81905,227.138212422562,1049615.96180883,1478988.45896228,1064075.15761118,830508.781854607,641298.166381194,29987.4449629857,115011.258463296,66390.237993663,66641.4642443066,64913.4364433804,1012897.30532362,68588.7684215263,-3.88437174982491,0.000151298733799665,0.000875497071521216,0.305474730068913]
["NEG04676","Penthiopyrad",271.529,358.119599450125,1363.3595986797,2694.70552574403,878.732304792872,0,2309.58818384743,866219.472615588,1250364.86677119,1731695.97244377,1460529.23008995,1376724.20809828,1449.27712261281,1337106.75000376,9.84956544920411,{"v":1.31971961418001e-05,"d":"1.32E-05"},0.000134467103285357,0.368995059762033]
["POS04329","Pentalenene",484.458,205.194403420265,1138532.00179666,1369267.14372459,1371057.23669551,1214226.87060983,1068801.31579963,352495.793489391,505256.883727893,633280.736410987,493861.269018156,376368.707412192,1232376.91372524,472252.678011724,-1.38381267868574,{"v":1.13329038812785e-05,"d":"1.13E-05"},0.000120983482245725,0.281077830033849]
["POS04676","Pentahomomethionine",30.3171,220.136503838112,632914.10126486,674556.34775367,519023.157164236,736807.867256899,505299.369664666,197288.396984193,100836.321320716,171590.578167883,149392.226997679,142664.618070451,613720.168620866,152354.428308184,-2.01014956162353,{"v":1.05136616005579e-05,"d":"1.05E-05"},0.00011444629086307,0.216720514537004]
["NEG01647","PE-NMe2(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",564.1495,866.57450765445,1980239.92034085,1321639.37222048,915311.698030423,1789178.11451302,1129701.85341122,356852.452509271,700195.905619267,717504.921126469,901326.775274117,724650.897502792,1427214.1917032,680106.190406383,-1.06936993752948,0.0091203233604222,0.0276016281401681,0.241910421175218]
["NEG02099","PE-NMe2(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",534.1605,836.52943894985,15160484.527135,8237347.43611165,10601153.4545163,7375627.61654347,7494163.45161444,1448524.95878138,1050744.34712242,3308604.79290896,2879991.46490861,2874229.05734163,9773755.29718417,2312418.9242126,-2.07951020053617,0.00124251032930163,0.00502786884236373,0.814560169127037]
["NEG01884","PE-NMe2(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",545.132,838.543009482626,22759281.1003662,17507392.3474996,15025038.0695007,25191100.3482822,16759238.9557728,5145461.46833283,6192015.30742116,7137062.31430569,6329527.9402895,5904596.32987743,19448410.1642843,6141732.67204532,-1.66293460167145,0.000137802449422976,0.000814254103393621,1.13492269989681]
["NEG02288","PE-NMe2(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",528.754,840.560661005018,1883058.36615227,1591484.01398796,2080503.86003766,2085192.43225627,1593562.58843981,20530.0890890122,62602.0278387353,25211.4637928692,42942.8373145995,38416.0158480151,1846760.25217479,37940.4867766463,-5.60511458782693,{"v":1.92225766332337e-07,"d":"1.92E-07"},{"v":8.68510962428832e-06,"d":"8.69E-06"},0.43691497542456]
["POS08041","PE-NMe2(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",28.1853,848.624529141735,858733.47460987,643792.08470191,685630.484982948,717350.450319316,827138.850767511,164876.913867331,142563.272172812,232281.314588322,263631.586865907,203874.567516187,746529.069076311,201445.531002112,-1.88980863835677,{"v":2.69671286285961e-06,"d":"2.70E-06"},{"v":4.33133589272116e-05,"d":"4.33E-05"},0.234178506920417]
["NEG02106","PE-NMe2(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",533.364,810.511886973874,16658659.183413,14133555.4714973,13815025.389807,19997527.0553005,13683341.9138646,2087878.03073554,2767140.9656354,3461072.5995586,2426445.70940825,2360038.37334162,15657621.8027765,2620515.13573588,-2.57894275498677,{"v":5.70345575405389e-06,"d":"5.70E-06"},{"v":7.37328253985059e-05,"d":"7.37E-05"},1.15589629140398]
["NEG02139","PE-NMe2(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",531.523,784.498006883515,695744.089752486,484353.129506603,635998.621807558,769361.306348689,581907.038957023,62891.370004269,34449.0121147494,68508.7120558327,54599.4530039597,45081.751245894,633472.837274472,53106.059684941,-3.57633436453066,{"v":2.36316199210065e-06,"d":"2.36E-06"},{"v":4.09706340723496e-05,"d":"4.10E-05"},0.244701895434584]
["NEG02700","PE-NMe2(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",511.943,812.529542318001,601478.753676369,464489.310290302,626942.50251179,651346.571150757,498700.502142727,6813.87647445885,10799.7950985736,6120.71850498571,2746.54710739792,0,568591.527954389,5296.18743708322,-6.74629461132256,{"v":3.31194634353882e-07,"d":"3.31E-07"},{"v":1.22432528881398e-05,"d":"1.22E-05"},0.243211048087426]
["NEG01217","PE-NMe(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))",600.3675,834.620712173489,0,0,0,3560.4036479723,0,65895.8737778758,54474.4895888336,57357.8703242178,73819.753342397,64565.7566931367,712.08072959446,63222.7487452922,6.47225913982659,{"v":9.47711168179528e-08,"d":"9.48E-08"},{"v":6.14364065980728e-06,"d":"6.14E-06"},0.0809309046628739]
["NEG05896","Penicillin O",35.08,329.061766038477,0,0,43429.1447363941,0,0,347767.317100807,604757.267543499,332277.933916497,571135.512037568,708252.191829002,8685.82894727882,512838.044485475,5.88369593926302,0.000144263321295421,0.000841405584264284,0.222264233594454]
["POS05349","Penciclovir",43.9415,254.123750037442,291203.198523681,253309.130709151,735333.129230921,690427.455059216,659982.822248837,974373.850225113,2125280.06842297,1528734.59311832,1693138.10459397,1234080.14614447,526051.147154361,1511121.35250097,1.52234454009669,0.00222906248147056,0.00830191213956519,0.291048708448298]
["NEG05744","Pelargonidin 3-O-glucoside",37.2959,432.107742767996,28735.5918922098,28212.1944787192,19130.5243321917,55004.1595831568,20803.7780979631,67886.7604728221,116953.288459849,107321.658456539,77544.9656050401,124652.361633457,30377.2496768481,98871.8069255414,1.70256794265087,0.000707347368229645,0.0031203255745939,0.0801543156167541]
["NEG04619","Pefloxacin",276.895,332.140259149233,0,0,0,0,0,117051.446171192,158771.32308841,205114.221882265,194741.573650174,171765.539090493,1,169488.820776507,17.3708305929773,{"v":4.24339767059901e-06,"d":"4.24E-06"},{"v":6.02173049167398e-05,"d":"6.02E-05"},0.132083403131576]
["POS07552","Pedilstatin",414.398,513.296058290785,949891.660433276,1177934.33672259,1110018.53470559,1057799.19783012,1028038.84072931,56544.2600370782,134136.959634409,467740.730535803,238522.861943855,186933.590152593,1064736.51408418,216775.680460748,-2.29622163846291,{"v":5.21752124610478e-06,"d":"5.22E-06"},{"v":6.86410956877255e-05,"d":"6.86E-05"},0.295550847700837]
["NEG02540","PE(DiMe(9,3)/MonoMe(11,3))",520.804,780.475968081939,23735773.7715441,17563473.8782189,21357444.318059,31933241.9396712,20408338.8109634,3283918.23316353,2353883.02478154,2589354.59244545,2671916.15975031,3187310.88890823,22999654.5436913,2817276.57980981,-3.02923908283068,{"v":3.52493694277049e-05,"d":"3.52E-05"},0.000272315076770508,1.42578113325639]
["NEG00565","PE(DiMe(11,3)/MonoMe(11,5))",674.694,836.537380432813,369944526.843108,290170406.300444,248171239.055966,415624806.691379,275102139.31896,82830506.5338688,102996706.23027,119597957.604528,103482323.124949,99330104.0315493,319802623.641971,101647519.505033,-1.65360676499305,0.000133359210101475,0.000789041993100394,4.59914521900942]
["NEG02108","PE(DiMe(11,3)/MonoMe(11,3))",533.363,808.506354371701,299490166.036703,243938762.364206,249858088.111144,358859594.888481,243122590.113702,39893837.7625036,52739305.3579056,64063478.6859991,46814617.8832111,47704888.215088,279053840.302847,50243225.5809415,-2.4735425083507,{"v":8.53304045857741e-06,"d":"8.53E-06"},{"v":9.71203307155643e-05,"d":"9.71E-05"},4.83357309215248]
["NEG02403","PE(DiMe(11,3)/DiMe(9,3))",527.216,794.49091759381,2504013.3225107,1728383.48341532,2026543.07619796,3200348.97143707,1740531.22124072,284307.519239759,456163.920163069,454731.091694344,562297.212372243,400785.084575973,2239964.01496035,431656.965609078,-2.3755183811316,0.000206001906740923,0.00113478636558146,0.420127038378983]
["NEG02029","PE(DiMe(11,3)/DiMe(11,3))",539.248,822.521648863842,3441493.1779559,2518176.89569242,2667131.14988551,4606675.37839953,2144444.51980831,501206.185667008,897215.138005384,1062974.72041754,1505017.95455252,921261.104670345,3075584.22434833,977535.020662559,-1.653640190737,0.00199834879739365,0.00754950521177516,0.43609652993831]
["NEG01780","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))",553.9565,772.52117194511,30777.510435604,10975.8281808126,25668.8582696943,40345.5361452175,14437.3868430484,181291.275057237,323696.475262121,445294.025352516,312175.695511563,388810.914673515,24441.0239748754,330253.67717139,3.7561979907656,0.000130268841518077,0.000775888852344017,0.173785936972193]
["NEG01894","PE(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",544.5825,840.548066685226,443093.5529947,276654.121679468,200174.327073913,305329.900591044,239134.969522759,28309.9195274624,12841.4751186268,50185.5951184918,85854.8993717723,12134.3619678351,292877.374372377,37865.2502208377,-2.95135037768125,0.000392700570763061,0.00191972639674663,0.153439903494859]
["NEG02295","PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",528.657,842.566387043535,190328.284055966,134519.501867691,185983.589224769,189852.772464141,97929.0601201732,0,5103.30078745079,0,0,6635.23104770364,159722.641546548,2347.70636703089,-6.0881730482448,{"v":3.08471987692145e-05,"d":"3.08E-05"},0.000245079076544754,0.126555127248192]
["NEG02512","PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",522.684,808.497262965607,2451094.7824159,3718175.92972046,2035791.61887452,1976952.14434719,1407594.19676835,251248.114328566,253135.24535904,218271.82705696,291118.56377154,303237.495379392,2317921.73442528,263402.2491791,-3.13749228411606,0.000730150009365115,0.00319253273889556,0.439162674160868]
["NEG02545","PE(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",520.629,782.480841686139,1252108.2209393,877813.775357013,1072403.92697326,1626692.34601639,1010662.39045559,347554.550718231,161279.327803336,217873.534019486,226593.530899553,350252.883264557,1167936.13194831,260710.765341033,-2.16343932187962,0.000148883964864984,0.000866005168844048,0.297717965312606]
["NEG02602","PE(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",517.908,756.464752498912,859505.561866199,662438.934747348,920156.332041142,1202914.78031514,843857.275883862,45367.2580293973,55107.925734675,68818.1306416701,51577.6167896482,51513.3075615718,897774.576970738,54476.8477513925,-4.04263811207245,{"v":1.13220932269454e-05,"d":"1.13E-05"},0.000120983482245725,0.2942755272801]
["NEG02973","PE(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",482.679,706.429984180192,112774.751764754,129252.034991963,89528.9563971845,304593.894167243,99130.2291968238,0,21574.0522797342,9555.21082535853,25591.1057494512,14495.9041148361,147055.973303594,14243.254593876,-3.36801464067194,0.0108001921272798,0.0319505683765362,0.104758430942302]
["POS08065","PC(o-22:0/22:3(10Z,13Z,16Z))",35.136,882.751197375196,700955.093413058,1064592.75101222,952410.407619744,1244401.32851482,689157.407902209,0,0,0,0,0,930303.39769241,1,-19.8273417701884,{"v":2.34745059601751e-05,"d":"2.35E-05"},0.00020120515699406,0.310150241506075]
["NEG02032","PC(DiMe(9,3)/MonoMe(11,3))",539.24,823.525027759496,549045.067071595,381283.568757896,219673.11703655,884833.872351679,379859.308592082,26273.4937893102,0,80113.9303809648,157954.886091649,27628.559808023,482938.98676196,58394.1740139894,-3.04794459055503,0.0065802863706169,0.020845340606069,0.187618541712481]
["POS08022","PC(15:0/22:0)",28.1853,804.646727351133,263013.224282796,154371.869857511,203890.422412797,246306.257053147,245649.946272412,0,22648.7560876192,12528.29808914,81349.6082867887,22231.7525245393,222646.343975733,27751.6829976174,-3.0041067505098,{"v":4.09842135700096e-05,"d":"4.10E-05"},0.000307587898152102,0.138521394225398]
["NEG03628","Pateamine",413.677,554.309741086917,1379391.98575696,1489422.19561998,1646125.48162582,1628709.47259612,1414742.82084716,413621.640015039,616856.571069124,883028.982223652,718301.977713287,610394.555909704,1511678.39128921,648440.745386161,-1.22110458774097,{"v":1.59538254864777e-05,"d":"1.60E-05"},0.000151832896597904,0.298099760740392]
["NEG05712","Paramethadione",37.657,156.06275509572,15100.1331027309,13979.8580066921,14080.9538831687,17261.0598918625,9468.40083211769,34464.7026277869,71562.9289328445,50938.0832865333,44422.1471794129,40978.428065994,13978.0811433144,48473.2580185143,1.7940227264569,0.000709836855667212,0.00312817759152654,0.0561243928522582]
["NEG05620","Pantothete",44.618,218.102595303626,80524.0065474001,127237.11177209,91771.655194675,101645.914624638,93925.7683238833,10009.5655967625,19699.8325281152,21271.2199246725,16072.0979621936,9960.21774748078,99020.8912925373,15402.5867518449,-2.68456027378341,{"v":7.15139524760516e-06,"d":"7.15E-06"},{"v":8.57592250470185e-05,"d":"8.58E-05"},0.0929317422579922]
["NEG04861","Pantetheine",216.502,277.122488784634,40736.2744858304,51494.2647634035,35597.9043431656,36728.4055042833,35522.1822525357,73380.2010745115,101251.761447188,113623.598561707,87833.3499742331,81797.1345806022,40015.8062698437,91577.2091276484,1.19441862058355,0.000161206437897808,0.000920879433113464,0.0707256313787963]
["NEG02398","PA(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",527.223,793.487414135688,5709535.00886135,3846499.33621955,4693508.88579361,7121442.32541452,3940218.35041125,807510.948088596,1030494.48321532,1125862.2411878,1307049.95805299,892066.129487016,5062240.78134006,1032596.75200634,-2.29349916441269,0.000188106002461807,0.00104651511071102,0.627951326499357]
["NEG01219","PA(22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",600.2065,833.618265384437,7818.62534445256,0,6270.28597399508,9617.26760663865,4217.14799290319,120221.365681676,142295.689750722,160682.663353042,195196.093949003,129602.784732293,5584.6653835979,149599.719493347,4.74349281854262,{"v":4.84955190117664e-06,"d":"4.85E-06"},{"v":6.55348811297979e-05,"d":"6.55E-05"},0.121300885175552]
["NEG02404","PA(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",527.215,795.494116802113,597366.811625347,440397.033495058,535293.722847509,759543.713376077,447838.047659357,47024.0499607214,84704.0974182286,96051.8418557352,90703.4092121633,65014.6292667186,556087.86580067,76699.6055427134,-2.85802179369629,{"v":4.04046402462852e-05,"d":"4.04E-05"},0.000304259184884905,0.219958493258487]
["NEG02130","PA(15:0/18:4(6Z,9Z,12Z,15Z))",532.0265,653.405476829236,43126.5889058362,38981.0659605319,36539.5571837885,71286.1052119575,32529.1882505548,67499.3413451268,120358.269000667,114262.735778298,130926.131314443,148570.84177548,44492.5011025338,116323.463842803,1.38650802952022,0.00148441361561189,0.00583973799703779,0.0810427588538113]
["NEG02532","PA(14:1(9Z)/14:0)",521.6225,589.387496151645,531473.312041372,295164.907671591,287014.6091458,352576.749276097,365115.078466913,49989.5795670821,59663.3055328963,71782.7928251208,75942.4175896808,36554.7859596706,366268.931320355,58786.5762948901,-2.63934466644232,0.000126033444365061,0.000757332640045158,0.170736272995591]
["NEG02405","PA(14:0/20:4(5Z,8Z,11Z,14Z))",527.213,667.44595909499,224994.219246789,217783.723174388,265032.189551516,328077.337782672,241387.425962107,0,68819.8479879376,117093.784768434,47048.1782684924,35645.7860017597,255454.979143494,53721.5194053247,-2.24949704179094,{"v":8.65981011354862e-05,"d":"8.66E-05"},0.000559759113264494,0.142374174817197]
["POS07801","PA(10:0/i-20:0)",29.29595,621.456711232782,0,0,0,0,0,697919.144811228,967502.528365728,686282.225026152,704724.032073793,663132.595818983,1,743912.105219177,19.504772648384,{"v":1.03175533889163e-06,"d":"1.03E-06"},{"v":2.42222703370621e-05,"d":"2.42E-05"},0.27618624188357]
["NEG02557","PA(10:0/i-16:0)",519.759,563.371583939795,138235.938203756,146199.000434098,288834.543550473,152243.700995659,194554.476039086,38056.3137413516,67370.4532534484,110217.674158406,54482.293232219,76561.8429243603,184013.531844614,69337.7154619571,-1.40809965343293,0.0055092934990605,0.0179876422053267,0.100488997669334]
["NEG05060","Oxynarcotine",192.249,430.157408438979,51298.3735740619,0,42416.9476789586,0,1039.62572098086,4154351.33854724,6091255.8257336,7323139.07408567,7260192.6271338,6604747.61262333,18950.9893948003,6286737.29562473,8.37389449743894,{"v":4.69769236069946e-06,"d":"4.70E-06"},{"v":6.42151951002866e-05,"d":"6.42E-05"},0.803012576634196]
["NEG04885","Oxydemeton-methyl",211.771,245.006703054654,17655.7568367738,37707.3255021974,21777.2900620193,14182.7441153919,31817.1148178742,2506.75985061354,9843.02010455287,14896.8218080801,5524.72158568302,8659.88189279757,24628.0462668513,8286.24104834542,-1.5715124896341,0.0100781092487108,0.0300930458407765,0.0360930508056154]
["NEG04561","Oxidized Oplophorus luciferin",290.723,410.152429876937,0,0,0,0,0,0,10723.6407390597,5469.63637949744,8238.06945653946,7260.97441379042,1,6338.4641977774,12.6299176041027,0.00777437055213831,0.0239330760355916,0.0227921852577622]
["NEG06393","Oxaburimamide",30.1468,213.084844865541,57359.9098664345,37893.6522304494,80814.127649008,102488.700013938,58913.6472535596,544068.855857368,518670.842126088,614284.212907662,528141.407984619,610247.652886724,67494.0074026779,563082.594352492,3.06051523566622,{"v":2.50799345947268e-08,"d":"2.51E-08"},{"v":2.88719894445534e-06,"d":"2.89E-06"},0.228307089801711]
["NEG05716","O-Ureidohomoserine",37.5957,176.063361369423,2147481.09323795,2838807.19849312,2867540.89330993,3219093.94461416,4398962.76657223,552041.68058822,804270.907928058,936065.003985056,810333.086122649,935378.497962512,3094377.17924548,807617.835317299,-1.9379043838142,0.000295872106742567,0.00151596326856759,0.466893927822602]
["NEG05631","Osthol",44.3112,243.103937789348,3011140.48246794,3605482.80997782,3675946.93081167,2996841.05996815,3032913.59336084,682071.632646462,1026867.63972776,1358050.27240916,1044290.65652201,1105247.27921962,3264464.97531728,1043305.496105,-1.64568489945991,{"v":2.4371559456175e-06,"d":"2.44E-06"},{"v":4.15539446771426e-05,"d":"4.16E-05"},0.481077689229777]
["POS07147","Oseltamivir phosphate",204.585,411.191897097049,3867.13039105105,7360.50133286891,0,0,0,3806901.41795826,5984677.21147186,6668269.5783853,6483494.99667799,7003033.96220688,2245.52634478399,5989275.43334006,11.3811121167244,{"v":5.86762925148394e-06,"d":"5.87E-06"},{"v":7.53877150728272e-05,"d":"7.54E-05"},0.785147557075977]
["NEG05483","Osaterone acetate",70.88775,405.155884265178,0,0,0,0,0,1913008.93107793,2636532.07664912,2901129.85826766,2337116.74246459,2671207.51325858,1,2491799.02434358,21.2487562820379,{"v":4.65809521143571e-07,"d":"4.66E-07"},{"v":1.4938857654203e-05,"d":"1.49E-05"},0.509686354606422]
["NEG03387","Ophiobolin A",438.877,399.249752432002,17002.6399077164,34521.1819894659,57888.8049461759,27324.8689080508,71975.5372709298,354645.984114498,266121.626965488,225846.947272231,113961.077846888,113061.808563648,41742.6066044678,214727.488952551,2.36291429666456,0.0064778350375739,0.0205644826991257,0.118643497637288]
["NEG06017","Ononin",33.9761,429.124693334092,704690.960338778,2611313.38734505,2938369.71831779,745997.872020142,3103933.39269892,0,79479.4866883811,479772.930043713,837579.461725067,409069.013674222,2020861.06614414,361180.178426277,-2.48417951510941,0.0174108933161777,0.0477053978539662,0.360154629596289]
["POS04822","Oltipraz",291.111,226.97411416206,0,0,0,0,0,25260.9287747354,93248.3842951492,108419.657181267,137111.768837394,42350.0646956048,1,81278.1607568301,16.3105801352887,0.00449314876432939,0.0150771601071608,0.0829167690717872]
["NEG02467","Okadaic acid",524.81,803.471720781468,3974787.09391527,3202540.18334386,2278023.06614012,4041366.19286191,3273231.84746913,359184.442392794,493820.497249262,709193.286935078,410865.36392466,451151.45791277,3353989.67674606,484843.009682913,-2.79028865956012,{"v":2.15471134076677e-05,"d":"2.15E-05"},0.000189352138059917,0.532647703621475]
["POS02665","O-Carbamoyl-L-serine",32.1963,149.057082506224,2304520.17761361,2034637.68104564,2200486.68652643,2415196.09673255,2189161.59111287,5175109.18844457,6626681.96990524,7111263.75584853,6118105.67241772,6106973.79950026,2228800.44660622,6227626.87722326,1.48241505706562,{"v":1.91102851816877e-06,"d":"1.91E-06"},{"v":3.57658182500792e-05,"d":"3.58E-05"},0.641994015880038]
["NEG05566","N-Succinyl-2-L-amino-6-oxoheptanedioate",46.0786,288.07628168712,14514.276854792,19186.600717971,13375.8687145312,13145.9574148948,11147.3885816988,62746.5201354022,75475.7166684492,89815.0594725877,88700.8553502462,57140.5568167308,14274.0184567776,74775.7416886832,2.38917877222773,{"v":1.91805156469497e-05,"d":"1.92E-05"},0.000174025246427599,0.0778496053118335]
["NEG06667","N'-Phosphoguanidinoethyl methyl phosphate",25.3814,276.020029295789,323789.104373346,430590.251198146,315768.514274854,545015.635528426,463607.55380417,20605.6949988622,21696.2449697687,13974.4912923463,19967.4159490745,26853.9961337158,415754.211835788,20619.5686687535,-4.3336448198775,{"v":1.71669008100856e-05,"d":"1.72E-05"},0.000158980429241228,0.200005545222107]
["NEG04762","Novclobiocin 104",247.266,588.176795006171,0,0,0,0,0,163231.93367964,270475.054428776,304582.400899688,187759.109789496,271759.672461053,1,239561.634251731,17.8700373537376,{"v":2.13610316722211e-05,"d":"2.14E-05"},0.000189163455731636,0.155749823751684]
["NEG02370","Notoginsenoside R10",528.148,553.340094776621,15223954.7133525,17370297.8926818,18720116.5521184,16971852.9683481,16665246.119604,5558704.66369691,7708140.56059517,10270730.0920199,7797200.16250354,7560290.0058046,16990293.649221,7779013.09692402,-1.12705174636208,{"v":9.63104984029104e-06,"d":"9.63E-06"},0.000106458833213069,0.97558261145093]
["POS07274","Norverapamil",363.3245,441.279155884065,1452221.51942607,1555528.94487866,1857683.51593987,1639261.42221714,1448278.09913206,21298.1878231617,33432.5124080215,118834.425917976,164975.108558486,60234.9854985318,1590594.70031876,79755.0440412354,-4.31784669511798,{"v":6.60189795394629e-08,"d":"6.60E-08"},{"v":5.18075255228101e-06,"d":"5.18E-06"},0.40058299013736]
["NEG06062","Northiemycin",32.43015,257.065416869668,0,0,26314.971806236,12862.224178065,0,1760156.20610012,1659271.00054521,1898313.29077651,1332657.29498059,1805053.83581812,7835.4391968602,1691090.32564411,7.75372386086285,{"v":1.30642501093448e-07,"d":"1.31E-07"},{"v":7.00398145291263e-06,"d":"7.00E-06"},0.419896266187275]
["POS05476","Norsanguinine",363.325,260.128037005873,796876.751074871,748622.321419229,1049178.5490888,927160.7265076,739081.8732651,255169.500177846,297634.172965614,360829.738221054,308686.769388653,304519.729964478,852184.04427112,305367.982143529,-1.48061623632575,{"v":2.12875314700653e-05,"d":"2.13E-05"},0.00018892684179683,0.237945754716105]
["NEG05237","Nocardicin G",170.8105,384.117592173552,1353.40554587992,1845.57969510924,2377.53269827525,1518.08946120084,0,23164.0088181773,71680.2985326579,91167.1359221641,97703.1874338959,36373.702870742,1418.92148009305,64017.6667155274,5.49560343396357,0.00285144735593548,0.0102445976089152,0.0737580024896715]
["NEG05948","Nocardicin D",34.524,484.136350049939,3759193.44517551,5034633.76490456,5546047.74635876,3407255.85680458,5546015.42220615,673592.14448855,992399.249772865,1233908.56465172,1236965.84378442,1036115.48913279,4658629.24708991,1034596.25836607,-2.17083764026527,{"v":5.17949233796174e-05,"d":"5.18E-05"},0.000366595952699949,0.602395807308024]
["POS03346","N-Nitrosoguvacoline",36.7429,171.075883757228,483399.164883138,472230.204574196,425228.286880214,507821.159770562,571462.928915926,940804.201312751,1591377.3945498,1372613.55759894,1574122.85899885,1257894.48275583,492028.349004807,1347362.49904323,1.45332470439483,0.000109729041029449,0.000679803324826491,0.289566786630095]
["NEG05950","N-Nitrosofolic acid",34.5228,469.11696296277,4196258.54491654,3737298.28437555,4643128.87635726,3825529.24159625,5141911.82328856,693349.65316969,749698.2067945,1133771.00942672,979495.047991201,1018034.74885232,4308825.35410683,914869.733246886,-2.23565638389503,{"v":1.75361929446591e-06,"d":"1.75E-06"},{"v":3.39564463382944e-05,"d":"3.40E-05"},0.589417310481305]
["POS04119","N-Nitrosodiphenylamine",232.814,199.085942341735,459997.963498232,389258.227010731,424258.740053821,431612.249576981,444971.899730642,1156938.37829483,2022830.80875397,2433151.20689166,2474333.81529018,1962969.0515214,430019.815974081,2010044.65215041,2.22475250245466,0.00016008169294415,0.000918622632327099,0.393055389590943]
["NEG05822","N'-Nitrosoabasine",36.6551,190.095781972106,158828.9632049,329116.420915546,304129.180798997,79791.5087803771,433697.487723408,0,0,0,0,0,261112.712284646,1,-17.9943131714731,0.00325821581804411,0.0115209481060168,0.150319179865304]
["POS05880","Nitrazepam",32.7302,282.086200602744,2670258.37067177,2844960.1809956,2619555.60430424,2634680.94946421,1910821.38915884,7382082.7700292,9413496.8670854,7797988.99336257,8325167.69008987,7483690.78502132,2536055.29891893,8080485.42111767,1.67185575905924,{"v":7.81941337588806e-07,"d":"7.82E-07"},{"v":2.05742564884396e-05,"d":"2.06E-05"},0.753727279400601]
["POS03347","N-Isopropylammelide",223.009,171.091057233848,1339510.94254113,1607962.19103099,1572322.88538206,177858.583007506,1346820.45768246,72845.5364987049,114501.677949806,186060.238204544,407593.773914769,159606.86078659,1208895.01192883,188121.617470883,-2.68395141051054,0.00538469038555653,0.0176711079197317,0.292273262705293]
["POS07014","Nisoldipine",352.628,389.174493567889,6844.13301576319,0,0,0,0,44197.5456308777,93959.1798462515,80676.0639968047,273877.836626099,109584.523690188,1368.82660315264,120459.029958044,6.45945903200832,0.0174162563593845,0.0477053978539662,0.095855040064644]
["POS05706","N-Isobutyl-2,4,8,10,12-tetradecapentaenamide",34.2631,274.211498190902,7777465.16939237,18283879.1324982,13916858.4349686,14788058.7307542,6484666.75328621,1477479.88544706,4438784.57182469,2286431.00414772,2541788.95583037,1840390.90287882,12250185.6441799,2516975.06402573,-2.28304078383802,0.00274234746052786,0.00990033913715989,0.953909030390103]
["POS03493","Nigrifactin",253.1775,176.142848405914,643261.47053258,775382.729045286,746646.222475048,716304.829063593,597231.635298449,26122925.2342643,49492570.0544599,33715077.9752944,40836556.0121719,298469.706143839,695765.377282991,30093119.7964669,5.43468898117336,0.00804149785594471,0.0246536120011245,1.52210749633201]
["NEG05731","Niflumic acid",37.4042,281.054282234716,503852.73854712,570501.158875176,472440.657536868,437001.013241094,509567.835655609,159207.952420256,159643.090437487,174182.25482786,162294.443620954,185651.427317286,498672.680771173,168195.833724769,-1.56795119879599,{"v":4.89315907577927e-07,"d":"4.89E-07"},{"v":1.5305664717455e-05,"d":"1.53E-05"},0.184420672977595]
["POS06691","Nifedipine",226.255,347.12243022878,0,0,0,0,0,175035.562422225,250703.308282504,285929.253966029,412268.769572845,250776.164650821,1,274942.611778885,18.0687709936483,0.000103679891920023,0.00065226463650951,0.164455242230838]
["NEG05079","Nicotyrine",192.066,157.075734675169,1723099.17134483,2113937.27824453,1908572.97582137,1910632.42370591,2016282.46532482,208019.290742983,550078.919582595,451006.174008675,1920124.4161723,344379.120925582,1934504.86288829,694721.584286427,-1.47745752918642,0.00457715725855291,0.0153016624944,0.327721697494941]
["NEG03657","Nicofetamide",413.377,301.134369395141,2228.35122371731,0,0,2746.10753979887,2157.94950796346,19924.3032870027,50023.0154905969,59589.1065568686,41637.0807489789,51045.54071389,1426.48165429593,44443.8093594674,4.96144938010367,0.000222511485706404,0.00119626667736147,0.0647607805818635]
["POS07454","Nicergoline",180.665,484.122928924224,0,0,0,0,7922.49858335107,140207.716295219,326868.125783446,534190.692861201,217049.022849224,357770.273520177,1584.49971667021,315217.166261853,7.63617489200506,0.0016027710445992,0.00622866627497152,0.169396154603988]
["POS06490","N-Glycoloyl-neuramite",34.1243,326.115073189793,15364968.030462,21004258.8800275,18247081.5808932,18084501.0402356,14493788.918402,5199924.73805313,9454666.39456325,7049392.39872954,10047283.6909398,6062997.11015596,17438919.6900041,7562852.86648834,-1.20530821348341,0.000167080198313475,0.000949618458775316,0.996601638060298]
["NEG05045","N-Glucosylnicotite",192.257,285.085349102074,81693.3909198632,75070.0557826474,59586.3205649295,11439.7902694615,24825.7010477777,10273408.7188736,13150155.6162862,13484184.4769847,14221130.3221003,12868378.1337996,50523.0517169359,12799451.4536089,7.98492448250087,{"v":6.08830177399148e-08,"d":"6.09E-08"},{"v":4.86303104197569e-06,"d":"4.86E-06"},1.155875010312]
["NEG05885","N-Formimino-L-glutamate",35.2674,173.055547404059,206581.857569168,135271.983083285,217776.586437672,279582.420204501,203966.615592079,1484918.97311264,2686867.82715548,3296069.9689051,2469813.90265827,2561287.71596172,208635.892577341,2499791.67755864,3.58274859389468,{"v":5.1143815012342e-05,"d":"5.11E-05"},0.000363257849514571,0.478107729089865]
["POS07527","Neuromedin N (1-4)",414.3975,505.307279988592,186867.672202304,151612.565575627,177520.49890788,173741.259440117,112298.262817316,13752.6003160686,0,9824.81026156206,0,0,160408.051788649,4715.48211552613,-5.08819746942023,{"v":3.18782716555839e-06,"d":"3.19E-06"},{"v":4.95109406650788e-05,"d":"4.95E-05"},0.12707557003741]
["POS05593","Neuraminic acid",158.7,268.103040556731,29624582.0941023,139456738.55564,100539939.582558,171902484.728978,50260634.6973675,18533158.7081224,16084790.4676145,19498569.1145675,17282660.0071717,13629158.5251942,98356875.9317292,17005667.3645341,-2.53201028816076,0.0156480477402084,0.043800824494338,2.60871685556309]
["NEG05058","Neostigmine bromide",192.249,301.059023821993,22202.5493438942,6862.92488233377,9041.88528670482,28781.7609550168,10959.5519516031,911421.588648887,1445321.20916283,1414634.52580074,1395155.69862443,1218792.95236778,15569.7344839105,1277065.19492093,6.35794402526912,{"v":1.42556665744758e-06,"d":"1.43E-06"},{"v":2.92502736640505e-05,"d":"2.93E-05"},0.360609759767005]
["POS07405","Neomethymycin",401.2965,470.312900821453,159443.504480046,177652.519855204,206485.250178202,162488.729195368,149440.08926851,0,0,0,0,0,171102.018595466,1,-17.3844972547229,{"v":1.31530168129815e-07,"d":"1.32E-07"},{"v":7.00398145291263e-06,"d":"7.00E-06"},0.134696252704506]
["NEG04957","Neolinustatin",197.594,422.168226083845,11225.5007998168,10385.2053845083,12022.4280103403,4327.94299139957,0,100341.019089562,136337.845976451,152199.417174242,105084.988744613,98858.5879584368,7592.21543721299,118564.371788661,3.9650058086243,{"v":8.42756952138686e-06,"d":"8.43E-06"},{"v":9.6187128483115e-05,"d":"9.62E-05"},0.105893114610876]
["NEG05141","Nebularine",183.1975,251.078093277675,13057.3968873667,2525.36373749208,4250.79031229814,6525.56382739611,2435.84852266114,15741.620550309,50888.2164388691,56687.9550446061,43633.5945375655,24951.1335760767,5758.99265744283,38380.5040294853,2.7364852700056,0.00362171187374209,0.0125873482604882,0.0530469773241754]
["POS05392","N-D-Glucosylarylamine",41.7347,256.120315656893,124783.679017817,209701.992429975,1789659.98008965,2631803.01762674,318957.101050519,2413724.73838643,5561163.38394333,5230487.63606286,3857087.64888439,5087814.70622194,1014981.15404294,4430055.62269979,2.12587187302129,0.00219733128742023,0.0081973835267979,0.543150356635325]
["POS05698","N-Despropyl-rotigotine",414.399,274.12614737852,379456.958361661,446262.83702337,395268.615278429,392892.417431479,469197.470535706,52353.6303788566,157323.720729454,151770.196866201,268035.222709889,182331.194655635,416615.659726129,162362.793068007,-1.35949600481913,0.000172693971399333,0.000974098529721585,0.156570099492305]
["POS07292","N-debutylhalofantrine",34.5716,444.106723872874,477205.819069464,226915.367147369,272492.603364566,256455.473971772,567961.135835445,82113.7800569401,114124.886616147,253148.371087123,49483.9264082329,71081.0391967545,360206.079877723,113990.40067304,-1.65991019485246,0.0128840731423917,0.037061388531137,0.134748906676215]
["NEG05285","N-Cyclopropylammeline",166.276,166.074446549071,250383.609691105,300730.678999195,184481.773002075,299834.61602171,135301.92049924,52906.2456646887,120830.642063239,115881.507944227,105071.245177191,94641.0955248585,234146.519642665,97866.1472748408,-1.25852978309675,0.0044243622647035,0.0149247152413415,0.109082684399183]
["POS05815","N-Benzoyl-D-arginine",31.127,279.143714051295,852055.774549407,890151.537021948,719538.620186878,888036.536681402,966970.067312133,37038.5038062403,0,16109.4012652611,18786.6663447297,40813.7118951132,863350.507150354,22549.6566622689,-5.25876901803507,{"v":3.48944227369258e-08,"d":"3.49E-08"},{"v":3.43512274250443e-06,"d":"3.44E-06"},0.295350959866171]
["POS03482","N-Amidino-L-aspartate",34.8696,176.066047952733,15735611.9532281,4012191.60305344,8124755.84056985,10377850.6503885,2977889.6441642,21149129.9610643,29481515.0121008,28370200.9352007,19489611.1452286,20360925.9626796,8245659.93828082,23770276.6032548,1.52745182237574,0.00112446282835129,0.00461843184538328,1.19218410445914]
["POS02043","N-Acetylputrescine",36.7627,131.11758700787,7906656.46602816,6690749.30180591,6775972.50425661,8439406.00994851,5572331.91681125,260431.042995761,523287.547602665,489993.063004562,870032.787824684,537500.844330517,7077023.23977009,536249.057151638,-3.7221675457379,{"v":1.32427550334141e-06,"d":"1.32E-06"},{"v":2.79409638039912e-05,"d":"2.79E-05"},0.823947487027038]
["NEG05830","N-Acetyl-L-histidine",36.59025,196.071751794467,45704.9210552846,35902.4037821407,103540.473280936,35766.3158234298,43873.8793915819,476600.271475748,840506.371104741,1005420.07879279,765462.839238069,940096.004242884,52957.5986666746,805617.112970846,3.92718471896769,{"v":3.96635467310432e-05,"d":"3.97E-05"},0.000300703465301621,0.274923713241654]
["NEG06316","N-Acetyl-L-glutamate 5-phosphate",30.4804,268.020224231675,46930.2846684409,32471.8775785412,20201.0317114477,53325.9305810612,23331.320928301,865869.151154217,1239581.38132191,1432565.87139494,1116541.67602099,1105084.30970993,35252.0890935584,1151928.4779204,5.03019857745888,{"v":2.11414102002182e-06,"d":"2.11E-06"},{"v":3.78262111302303e-05,"d":"3.78E-05"},0.33922910591044]
["NEG00571","N-Acetyl-L-glutamate",674.549,188.055492271529,1343726.65398569,1337252.37791272,1287910.29856289,1485207.19707945,1198622.78951679,179735.102241176,382993.732615683,369682.648233485,407760.38387009,375974.777399499,1330543.86341151,343229.328871987,-1.9547713305936,{"v":2.51221934252273e-07,"d":"2.51E-07"},{"v":9.94438683106564e-06,"d":"9.94E-06"},0.321487460942419]
["NEG00699","N-acetyl-L-2-aminoadipate(2-)",672.629,200.055544930218,459132.24304614,404487.821940981,367972.165880773,295529.884012389,364684.698590074,1454246.97001525,1004974.81625598,1468673.40311057,1285535.98734772,983235.324028575,378361.362694071,1239333.30015162,1.71172755396882,{"v":4.65435662635579e-05,"d":"4.65E-05"},0.000337392809295797,0.293470137618329]
["NEG05200","N-Acetyl-D-glucosamine",175.4595,220.080031788539,27346.1016956345,21210.6201429629,19963.3377301181,21024.7578014706,20398.8325237363,128099.748028333,237540.868334498,231853.986298963,275004.113559352,195597.145152532,21988.7299787845,213619.172274736,3.28020494962142,{"v":5.67900131354873e-05,"d":"5.68E-05"},0.000393222490332871,0.13787144691654]
["NEG04553","N-Acetyl-D-fucosamine",290.913,204.082830753197,73272.5382306842,85073.8100899052,69884.9680472846,92437.5634245309,59117.8246291136,175123413.581848,243844243.495027,282431214.099718,298572662.404156,252029441.529867,75957.3408843037,250400195.022123,11.6867586649691,{"v":2.49703649623788e-06,"d":"2.50E-06"},{"v":4.1733839515031e-05,"d":"4.17E-05"},5.082634423411]
["NEG05450","N-Acetylaspartylglutamate",99.85,303.083033283746,815687.553025328,875407.086746047,822582.858801041,819204.990292008,684044.520000877,69127.0436343984,155897.65499488,173598.605664049,111838.162323738,127312.890799266,803385.40177306,127554.871483266,-2.6549742482135,{"v":7.61419680703419e-08,"d":"7.61E-08"},{"v":5.53790825866423e-06,"d":"5.54E-06"},0.266932770123735]
["POS05984","N-Acetyl-ala-ala-ala-methylester",414.4025,288.154701121467,297428.404340186,480464.677442432,349034.090199139,208625.546904584,368527.887621484,82118.1981407331,26981.4713025177,160597.866481085,113429.493300059,143674.906939869,340816.121301565,105360.387232853,-1.69366102653343,0.00161406407715116,0.00625624663526614,0.144813505345803]
["NEG03619","N-Acetyl-9-O-lactoylneuraminic acid",414.17,380.125130669727,0,0,0,0,0,8696.65031653105,32676.4880759314,28814.6761031126,25882.9370730811,15045.4661679581,1,22223.2435473229,14.4397817772005,0.00109922224881009,0.00453163236767517,0.0448554903201895]
["POS05562","N6-Methyl-2'-deoxyadenosine",44.2037,266.123832809472,446171.825310649,468322.896399107,316617.419554246,524875.508382856,187728.966536423,18043.1756165664,13756.3373190836,0,0,0,388743.323236656,6359.90258713,-5.93366941826662,0.000237155157643606,0.00126134960777628,0.193259370326868]
["NEG05897","N6,N6-Dimethyladenosine",35.0541,294.119307491012,0,9182.95765173934,0,0,0,184893.383451779,323010.899004532,455489.856343484,430249.594975082,224257.727916584,1836.59153034787,323580.292338292,7.46094913529831,0.000331633415213315,0.00166673737780804,0.174964245823468]
["NEG05994","N4-(Acetyl-beta-D-glucosaminyl)asparagine",34.25185,334.125355443576,220412.803501181,156523.626069669,151482.154178452,243902.559394676,98716.4793685498,5770336.24554628,10518026.3326098,10444007.4060612,11262700.0307033,9742387.93984474,174207.524502506,9547491.59095307,5.77624289981535,{"v":1.13681026523909e-05,"d":"1.14E-05"},0.000121070293247964,0.975875900142323]
["NEG05756","N2-Monodes-methylnizatidine",37.17605,316.087928036201,124264.853753095,146489.548229783,236135.220985969,96451.4553639182,174625.45331666,202101.474111863,542332.539860614,568020.640854378,660497.316940681,528586.844731109,155593.306329885,500307.763299729,1.68503584238173,0.0028968841617586,0.0103535644318872,0.173742240896899]
["POS04529","N,N-Dihydroxy-L-tyrosine",28.8158,214.071261886422,69229.8554998075,97748.5074926228,103530.457441228,112422.427980181,33939.0373621526,593678.151702753,818082.622393486,736790.876354261,828160.398773556,632179.744333517,83374.0571551984,721778.358711515,3.11388544051782,{"v":1.26963034349538e-06,"d":"1.27E-06"},{"v":2.75171496396164e-05,"d":"2.75E-05"},0.255359188196885]
["POS03317","N(pi)-Methyl-L-histidine",29.255,170.091905406741,236486.344939452,277401.250133785,176345.392694002,223002.654962963,188083.205956654,861492.746037847,692244.861784604,658087.86347035,719783.134297956,619315.462435804,220263.769737371,710184.813605312,1.68896229879539,{"v":4.60245677482012e-06,"d":"4.60E-06"},{"v":6.37178371533403e-05,"d":"6.37E-05"},0.223609490932851]
["NEG06007","N(omega)-Nitro-L-arginine methyl ester",34.09265,232.101306895623,0,0,0,0,0,240441.923198679,111800.603843172,105487.105952475,90613.000872014,150045.136217732,1,139677.554016814,17.0917406747803,0.000856117979315287,0.0036401290128111,0.114079261278051]
["POS06018","N-(6-Oxo-6H-dibenzo[b,d]pyran-2-yl)methanesulfomide",203.218,290.051817815626,0,0,0,0,0,357665.256514111,495064.30444229,130479.39254052,236958.065378355,93349.3105280083,1,262703.265880657,18.0030746103501,0.00756519593799006,0.0234667971086197,0.144367720959107]
["NEG04883","N-(6-Aminohexanoyl)-6-aminohexanoate",212.162,243.170941441694,3337.38036788861,6015.5635058056,6084.54057784468,14662.105078656,5439.90232106883,27782.4964741867,31807.995874462,35735.3251458069,38273.8212180571,35938.4368732052,7107.89837025274,33907.6151171436,2.25411435760294,{"v":8.73658976437153e-06,"d":"8.74E-06"},{"v":9.86837525657421e-05,"d":"9.87E-05"},0.0520834040328552]
["NEG05559","N-(3-Oxohexanoyl)homoserine lactone",46.5082,212.089576467216,8556.31269936155,12434.5102040855,11884.1425262431,3366.3972256812,5823.27509784621,26244.6067827391,69978.010963083,74391.5674244933,77090.6766649419,61508.8583324109,8412.92755064351,61842.7440335336,2.87792450928561,0.000477346381976365,0.00225228941622393,0.0710400966931706]
["POS05176","N-(3,5-Dichlorophenyl)succinimide",25.1107,243.996243415381,2166506.46459253,1041114.63290148,826593.37811847,1891062.36462948,1026661.7238545,3214484.84492375,3439326.07327597,7652603.6919749,5271293.54996007,4888646.32383702,1390387.71281929,4893270.89679434,1.81531191625858,0.00312313540190537,0.0110985669923406,0.560918353082413]
["POS07908","N-(2R-Hydroxypentacosanoyl)-2S-amino-1,3S,4R-octadecanetriol",28.1853,698.674437420978,230717.295631546,202712.783693532,241282.886196768,232417.107794977,160643.954128228,29703.6105325053,43779.472900382,54326.6426473188,67202.0709905145,21207.3566787911,213554.80548901,43243.8307499023,-2.30404012757659,{"v":7.9605868693697e-06,"d":"7.96E-06"},{"v":9.24550651189186e-05,"d":"9.25E-05"},0.132958339566352]
["NEG01853","N-(2R-Hydroxyhexadecanoyl)-2S-amino-9-methyl-4E,8E-octadecadiene-1,3R-diol",547.614,564.507466399568,3710586.09481127,3937902.84295451,3771757.32577472,3777133.84913262,3526654.62682415,10637985.8614468,12340445.7958514,16245496.2486179,13589892.4667649,15462583.3529709,3744806.94789945,13655280.7451304,1.86649572346089,{"v":1.06945805031284e-05,"d":"1.07E-05"},0.000115547967609887,1.00859434928293]
["POS07933","N-(2R-Hydroxyhexacosanoyl)-2S-amino-1,3S,4R-octadecanetriol",34.9476,712.698266392747,762251.260553553,1357766.289306,1243871.17151515,1203739.06707535,980729.679842007,0,0,0,0,0,1109671.49365841,1,-20.0817012147152,{"v":6.12693791864786e-06,"d":"6.13E-06"},{"v":7.69825654778423e-05,"d":"7.70E-05"},0.340851124126388]
["NEG05920","N-(1-Deoxy-1-fructosyl)tyrosine",34.7826,342.111952952783,27330734.0698887,29055899.1506403,27090377.7855254,26623911.4333158,25386111.3488162,2595906.78543099,3385224.86285379,3977005.94364671,3721085.13023749,3499561.71486407,27097406.7576373,3435756.88740661,-2.97945493042032,{"v":3.04708726622347e-10,"d":"3.05E-10"},{"v":1.7037026677272e-07,"d":"1.70E-07"},1.58184347179379]
["NEG04214","Mupirocin",362.7735,499.286962372176,393272.900230839,402700.931434646,554754.830356922,408727.202366819,431194.759085632,10991.1766312121,30046.9465768718,51682.700875135,49144.7585288376,27916.000521576,438130.124694972,33956.3166267265,-3.68960753628539,{"v":1.06689356119223e-06,"d":"1.07E-06"},{"v":2.45990458722312e-05,"d":"2.46E-05"},0.20611649511451]
["NEG04186","Mulberrofuran T",366.529,715.280632365538,51461.8301520258,68993.1135624335,55101.237244936,32091.6272514044,31863.8649711847,73513.3487297389,128718.62125019,177476.800071564,141693.007331871,100755.899712541,47902.3346363969,124431.535419181,1.37718428650859,0.00391815952041384,0.0134588132803156,0.0809335795092671]
["NEG05073","Moxonidine",192.245,240.061801734883,1634.68495001566,0,813.473045154515,2955.31114508509,3087.47899351831,477685.407223166,835882.088513129,857008.834065508,837770.299575749,715435.850583763,1698.18962675471,744756.495992263,8.77662742685155,{"v":6.24863942487843e-06,"d":"6.25E-06"},{"v":7.7210398197462e-05,"d":"7.72E-05"},0.275326819743233]
["NEG05906","Mosapride citrate hydrate",35.0277,648.192516574859,6823980.49009663,5695183.82867705,5028273.74243531,6760735.52965125,5541711.20975695,856350.858555986,1293195.10390673,1559031.22036392,1054993.33381658,1360206.51024369,5969976.96012344,1224755.40537738,-2.28523170484683,{"v":1.40459784860285e-06,"d":"1.40E-06"},{"v":2.92404658096148e-05,"d":"2.92E-05"},0.696450399830341]
["NEG03362","Morphinone",442.9175,282.111608193646,115188.699157247,323187.338751721,80549.1774495705,180642.839658389,72691.510880734,336704.766492836,485655.962932645,515048.620236655,481466.548078301,524096.894402207,154451.913179532,468594.558428529,1.60118245936203,0.000593615757147912,0.00268206392093193,0.171816037438724]
["POS07748","Montelukast",414.5295,586.218359684103,141268.914753849,89598.706274338,165270.074539323,115464.482588777,129807.287659943,11246.5288353622,50808.2337923313,50532.2322081162,53919.0834487938,0,128281.893163246,33301.2156569207,-1.94567080132578,0.000530856284457461,0.00246319518711434,0.0955834755682142]
["NEG02608","Monoammonium glycyrrhizite",517.686,838.433587724989,463350.83795098,369108.446262743,384669.268619707,613748.477874103,339039.024032372,28421.8329677053,45439.6872636389,24883.9154008288,28087.6846470836,39656.5878188783,433983.210947981,33297.941619627,-3.70413432970312,{"v":4.05269814412847e-05,"d":"4.05E-05"},0.00030466754283507,0.20087739612615]
["NEG02503","Momordin Ia",522.9935,777.456084824035,1888055.01059098,1337018.56431438,1744049.38708156,2493239.70507677,1439024.6298749,338919.477392149,540372.674109914,704633.661226529,599981.31841249,493206.359856988,1780277.45938772,535422.698199614,-1.73335189965973,0.000385243371515145,0.00188946666752987,0.346758934053398]
["POS06548","Miraxanthin-III",279.6205,331.125745702531,0,0,0,0,0,48676.7949078886,150845.212339402,154201.900011965,151776.797637128,150273.463827821,1,131154.833744841,17.0009114539132,0.00021888064152946,0.00118258062905293,0.112883403812571]
["NEG04135","Militarinone C",374.824,422.231258457698,281806.724039879,273271.643964498,403984.617659668,357402.036108732,271640.042191016,3110.79517224391,9965.59812789839,18831.3886822673,7207.17606068854,12869.4699419384,317621.012792759,10396.8855970073,-4.93308302305288,{"v":3.18289659817703e-06,"d":"3.18E-06"},{"v":4.95109406650788e-05,"d":"4.95E-05"},0.17970693614898]
["NEG02087","MG(0:0/21:0/0:0)",536.042,399.347480571308,2094797.10912962,2188171.02893559,1694709.74080314,2075496.94932425,1891982.38534054,3624758.03933805,6059805.30985176,7856141.8386128,5923662.22813708,6030731.32985564,1989031.44270663,5899019.74915907,1.56840915658605,0.00042182163723885,0.00203319847345838,0.612031893982987]
["POS07640","Mezlin",177.293,540.121888360841,0,0,0,0,0,76359.2720939147,209084.829333976,189805.125471897,175418.548395288,216593.724832782,1,173452.300025572,17.404179445724,0.000131189068758161,0.000780330724142628,0.130658828220344]
["POS06971","Metsulfuron-methyl",34.6561,382.081346939777,6053624.80325839,4936281.77076368,5254935.2812371,4560948.97793186,6888251.41664729,1571698.49468279,1647480.25465965,2754144.27509986,2461702.91718282,2235156.30498222,5538808.44996766,2134036.44932147,-1.37599082868174,{"v":9.75267472646714e-05,"d":"9.75E-05"},0.000618776085836702,0.569198172465648]
["POS05942","Metominostrobin",226.603,285.122275312396,0,0,0,0,0,195622.453964329,411210.753692448,470176.550688725,563839.376674502,341751.564821687,1,396520.139968338,18.597034619293,0.000211226805088939,0.00115221646239369,0.195698928363161]
["POS06432","Methylene blue",177.89,320.095383930269,1035948.32080958,1085332.4861451,913826.179778556,1090095.9732882,654802.751652453,14896.0866544298,120277.037089686,117509.799528935,96638.1970526052,108775.210904836,956001.142334778,91619.2662460984,-3.38328942823617,{"v":6.88491012471927e-06,"d":"6.88E-06"},{"v":8.32329810482954e-05,"d":"8.32E-05"},0.298348642609926]
["NEG04599","Methyl nigakinone",281.649,279.077225533608,9397.36236193733,3807.86605026927,1048.09939241067,2931.95480787802,3327.78841484428,189097.890978091,259766.978055014,332105.724801917,317350.567019048,295642.563163796,4102.61420546791,278792.744803573,6.08650571237199,{"v":4.93558935977316e-06,"d":"4.94E-06"},{"v":6.6098476665465e-05,"d":"6.61E-05"},0.16827859543122]
["POS01243","Methyl methanesulfote",3.273585,111.009426372488,2071054.66479825,2202952.92847892,2625675.22102677,2315805.79190607,1581500.53698123,2959928.79312104,3843619.15378373,4639188.12475358,5645338.71523094,4712270.57590928,2159397.82863825,4360069.07255971,1.01372193306337,0.00185992459364203,0.00709244902588304,0.443140511688657]
["POS04551","Methyl bisnorbiotinyl ketone",222.4735,215.080880440974,234542.4654026,241422.476683893,191009.85610323,282634.994599192,209714.047332952,727708.326360573,864422.414734033,1079196.14003803,1142751.73967262,956428.8111134,231864.768024373,954101.486383731,2.04085911340688,{"v":1.23444402764778e-05,"d":"1.23E-05"},0.000128410886876012,0.271384568164337]
["POS07145","Methyl aklanote",179.719,411.10554945281,0,0,0,0,0,61338.6889232067,141296.161385343,96735.8486828899,116491.142307135,86623.3833070367,1,100497.044921122,16.6167935545443,{"v":7.41438158735112e-05,"d":"7.41E-05"},0.000492786461221717,0.0991418552579379]
["NEG05635","Methoxybrassinin",44.2096,265.04387706721,0,1089.04208511022,1295.06487137785,1370.12285080362,0,0,12967.0614650011,9733.69333034288,8604.36802175817,7385.78315558288,750.845961458338,7738.18119453701,3.36540564128685,0.0121835250145796,0.0355260152478582,0.0232867473779344]
["POS06339","Methoprene",459.4595,311.256957443823,787835.179741289,796329.941816802,914578.437537467,752955.441752787,403955.203792795,86082.1948008258,62308.1166353377,147727.070048291,127389.198676463,122817.663628291,731130.840928228,109264.848757842,-2.7423002586722,0.000101863894392178,0.000642647672237256,0.25028713549887]
["POS03086","Methomyl",203.395,163.051721589064,130622.337442506,79248.2493301348,72274.2017683566,109607.962744147,126426.509950334,1184923.49819307,1044020.34480168,872976.970397396,581829.990640358,809399.265762814,103635.852247096,898630.013959064,3.11620406652079,{"v":5.9139442948654e-05,"d":"5.91E-05"},0.000405010373363407,0.280436905551145]
["POS06966","Methicillin",117.771,381.114289088737,4290.58011450187,7656.94144992026,8671.86243000725,0,0,23079.4196271559,65709.6059443693,25984.864145701,115326.044634201,53376.5945890485,4123.87679888588,56695.3057880951,3.78115615117449,0.0141807034811774,0.0401457510577889,0.0638369531752304]
["POS05025","Methazolamide",32.189,237.015082371516,902671.607093022,810289.845793216,612571.01575349,521005.364575669,489204.811800964,48934.0045333013,0,24742.2533650982,51220.063796537,165456.96798924,667148.529003272,58070.6579368353,-3.52212670321065,0.000104251559240378,0.000654939922025579,0.242173570851273]
["POS05299","Methaqualone",449.693,251.116958714815,629309.179691291,979612.382214201,420751.222964605,351092.206515609,560786.815506659,814058.893065472,1360754.51991317,1384074.12255246,981430.145543389,1501575.84676882,588310.361378473,1208378.70556866,1.03842331530372,0.00678706340372533,0.021364204507293,0.230911882310972]
["POS05494","Methaphenilene",207.9385,261.143525837427,46101.2481964784,48449.6469961341,31108.1002713326,53466.4954840976,45280.288520667,414837.795340541,558476.282697768,807551.564706435,597934.247695773,552404.28003739,44881.1558937419,586240.834095581,3.70731172370413,{"v":2.76029160584537e-05,"d":"2.76E-05"},0.000225334456862748,0.233650943139776]
["POS07972","Methanofuran",36.7429,749.279332312673,322365.40516014,386526.477736079,270226.150008423,367427.112771946,278182.32293037,0,21060.8773004241,0,0,23993.1325699718,324945.493721392,9010.80197407918,-5.17239841724655,{"v":1.01333067791615e-06,"d":"1.01E-06"},{"v":2.42222703370621e-05,"d":"2.42E-05"},0.180936179050203]
["POS06433","Metcozole",37.8048,320.152502424949,480399.906538375,269389.156800463,103050.173055069,243278.324884411,341266.35886529,19134.3157373992,28410.944637744,46136.3857230185,47217.9015416654,28882.9046203075,287476.784028722,33956.4904520269,-3.0816861889619,0.00350654328211654,0.0122441593293577,0.143211703529132]
["NEG04188","Mertansine",366.5205,736.259039213017,0,5746.63755929769,1617.24837017308,0,0,4064.2232480483,12157.4412149706,14815.072388468,10064.3452380893,4169.13825966767,1472.77718589415,9054.04406984877,2.6200231449515,0.01403266671695,0.039816519784975,0.023972485387125]
["NEG05849","Mercaptoacetyl-Phe-Leu",36.4198,351.140613557265,0,14044.8707649056,22381.3670047973,0,28859.4138863469,53230.7091015824,49225.0056002396,112318.088539944,65632.5337145104,106409.838607532,13057.13033121,77363.2351127617,2.5668102662986,0.00226152615496792,0.00838789924641087,0.0766362392205212]
["POS06584","Menadiol disulfate",28.7191,334.99081388172,139720.493568146,140569.17186016,103877.102030364,119840.747750772,76687.4347895336,2170490.07039694,2882872.42729352,3520289.48779733,2923553.3435513,2895795.75106551,116138.989999795,2878600.21602092,4.63144314137659,{"v":1.23967088410309e-06,"d":"1.24E-06"},{"v":2.7181607179378e-05,"d":"2.72E-05"},0.535162544919909]
["NEG05164","Melphalan",181.294,303.069403569369,97098.6012249133,117016.047089143,87005.7760264667,145743.61554553,81974.9935140224,23905.4370500771,18221.8597004712,7440.20869785172,8894.74291242396,7398.13030578064,105767.806680015,13172.0757333209,-3.00534595362994,{"v":6.11208028859361e-05,"d":"6.11E-05"},0.000414860927630944,0.0966568295826088]
["NEG06347","Meloxicam",30.3788,350.023309235269,5846.11880496126,10726.1075157708,0,9738.02198899525,0,721124.627517013,1070664.81277137,1114460.84915464,1027270.72007359,844430.368256876,5262.04966194546,955590.275554698,7.50462349786434,{"v":1.34642218548933e-06,"d":"1.35E-06"},{"v":2.8274865895276e-05,"d":"2.83E-05"},0.312753766698]
["POS07327","Melleolide L",36.4634,451.147505786775,36272.8432321679,81408.4240802643,116466.235876479,65198.5589645814,64775.0041399292,1061947.31510626,1896481.61505585,2061148.20509788,1891035.9627937,1666883.83116328,72824.2132586844,1715499.38584339,4.55806658858645,{"v":1.3874404358772e-05,"d":"1.39E-05"},0.000139461147633229,0.407469819563318]
["NEG05149","Melicopine",182.385,312.09473919136,1613328.98182499,1449295.94203467,1103534.96202754,2236798.61702175,1300820.85688302,670704.020580022,239869.858140503,303734.499002762,277217.695022459,248387.394744727,1540755.87195839,347982.693498095,-2.14655082709355,0.00046085123749892,0.00218830953856971,0.336481424046943]
["NEG05165","Melicopicine",181.242,328.115362987598,71381.5645313354,93823.0500898964,78737.0374370446,124385.245029703,71464.4572243764,12474.0692017994,4396.07390369972,8794.75157464943,6200.58154615357,3746.49881028982,87958.2708624712,7122.39500731839,-3.62638488833362,{"v":4.38446583891807e-05,"d":"4.38E-05"},0.000322031456444672,0.0907178382076141]
["NEG01893","Megalomicin B",544.6145,917.537166634521,1140823.99207493,1075819.10060719,1131148.96899049,1389297.90193706,1086752.58497102,266616.923096427,517400.272282044,596719.420457128,512250.573746467,383515.353927087,1164768.50971614,455300.508701831,-1.35515228058917,{"v":2.43975849792908e-05,"d":"2.44E-05"},0.000205906410589373,0.268778436572015]
["POS06130","Medicagol",28.7698,297.035093556234,4112.51026570271,0,9854.67635200148,0,6245.99901416899,241792.805195827,323303.818028655,230553.132934704,355794.586913825,245005.131723215,4042.63712637464,279289.894959245,6.11032285512477,{"v":4.53096746782467e-06,"d":"4.53E-06"},{"v":6.31371261170709e-05,"d":"6.31E-05"},0.167270031538498]
["NEG05918","Medermycin",34.7919,456.17164487667,149419.213466006,241772.193190109,264291.425994773,385827.587951864,167944.031480207,0,17827.2992326376,14623.3318776329,0,19975.5988537733,241850.890416592,10485.2459928088,-4.52768523552948,0.000585809784207614,0.00265215300076989,0.150627710558947]
["POS05662","Mecarphon",290.887,272.023178210286,9135.78059870543,294021.898881186,325107.738024938,0,135888.381573641,489906.327456703,493864.387960959,573722.988324879,457597.220179761,555054.18789137,152830.759815694,514029.022362734,1.74991487732078,0.00102021846098698,0.00423399281058656,0.180254500281967]
["POS06119","Mebendazole",223.838,296.099981527827,5125.21341406024,0,0,4698.50413619283,0,327157.728938826,956373.371662594,540193.498257725,532251.038398682,754818.624443194,1964.74351005061,622158.852340204,8.30679818610921,0.000419820166527396,0.00202792181952165,0.242382870616717]
["NEG03058","Margaroylglycine",471.03,326.27794089539,38766.3146584921,48321.1271153594,53076.2657911067,27538.7681629212,30048.0984800809,93433.2304570541,82944.9100020306,126853.017742059,139383.727436973,91676.9781226159,39550.1148415921,106858.372752147,1.43394616399745,0.000537228620059331,0.00248246241479895,0.0793831704842235]
["NEG05372","Malvidin",161.538,330.068819488628,162784.563914241,105021.159029586,131509.948666393,172761.478944243,82259.2686932907,149138.100776407,341496.080423834,355475.536585086,382909.525933695,201309.045944481,130867.283849551,286065.657932701,1.12824183710664,0.0139043480153537,0.0394883483636046,0.109068454014085]
["NEG05966","Malonyldaidzin",34.50835,501.105215775201,3851544.43340005,5315924.97664273,5146175.88450735,3349818.54631276,5412975.64627534,348032.195222695,733378.484147912,888207.790447263,896504.696334985,530932.67387252,4615287.89742765,679411.168005075,-2.76406380645688,{"v":1.84295781691969e-05,"d":"1.84E-05"},0.000168579761044617,0.631435136025253]
["NEG05936","Mallotophenone",34.7253,403.134505611022,63920420.1162382,64423250.2662633,60451996.5664884,64193459.8256101,60910962.0467888,3544016.1601927,4995337.86673072,5698285.10969453,5359459.25977638,4718221.6877728,62780017.7642778,4863064.01683343,-3.6903679488549,{"v":5.30601087661079e-12,"d":"5.31E-12"},{"v":5.93344666277002e-09,"d":"5.93E-09"},2.47414552313312]
["NEG03138","Makisterone B",457.3745,493.312774252488,0,0,2741.20781655747,0,0,5230.65702744364,12125.7268871493,30532.2523609949,20251.9616429748,12073.8864051004,548.241563311494,16042.8968647326,4.87097915646562,0.00754317231611557,0.023430979006934,0.0357669969123715]
["NEG00756","Maculine",672.346,242.051219625902,24881833.9859917,29110175.0899663,32302324.1031892,26900939.8069001,36248363.4898492,57477436.5867341,67424278.9300896,64735698.2603207,70064177.7576018,64394722.1370323,29888727.2951793,64819262.7343557,1.11682114498051,{"v":2.13390928921998e-06,"d":"2.13E-06"},{"v":3.78768898836547e-05,"d":"3.79E-05"},1.89503279908322]
["NEG05056","Maclurin",192.249,261.040741940882,0,1727.27654740028,1864.30569596393,3701.791317326,1022.26607423633,3206060.44912409,3893685.08625778,4011194.24744341,4087263.60203596,3892045.00631585,1663.12792698531,3818049.67823542,11.1647210147434,{"v":8.93247232719795e-09,"d":"8.93E-09"},{"v":1.53672879690602e-06,"d":"1.54E-06"},0.633863132327049]
["POS06246","M1",203.9695,304.013017493945,0,5020.81750346935,6512.7896836233,10922.6816855588,0,2242056.03294263,836464.725310193,1952949.05922598,897868.856808643,1091404.91896388,4491.25777453029,1404148.71865027,8.28836050204554,0.00130523537027742,0.00521744219057274,0.357976236444217]
["NEG04126","LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))",376.682,526.304700360625,84385.0015114587,80239.7313412925,108151.281456872,93932.4940029379,68932.7288448352,0,969.431785786382,1344.58739686875,0,0,87128.2474314793,462.803836531026,-7.55659588959421,{"v":1.09906698837002e-06,"d":"1.10E-06"},{"v":2.50822787703015e-05,"d":"2.51E-05"},0.0956375972444184]
["NEG03972","LysoPE(0:0/22:4(7Z,10Z,13Z,16Z))",400.747,528.320330640381,53958.6518042952,76864.9332762872,77807.9420130998,69077.6173489773,56499.6359232907,0,1947.17512981811,0,1354.35592227257,0,66841.75607319,660.306210418136,-6.66147061121594,{"v":1.02859966726117e-06,"d":"1.03E-06"},{"v":2.42222703370621e-05,"d":"2.42E-05"},0.0836898038157199]
["NEG03655","LysoPE(0:0/18:1(11Z))",413.505,478.29397017492,985130.769453259,1086954.33108083,1103608.91290113,1011482.96594965,1012025.13135862,252381.709230178,373023.89477108,646311.919641251,505373.39552207,443558.001331093,1039840.4221487,444129.784099134,-1.22730891465911,{"v":2.72001163963641e-05,"d":"2.72E-05"},0.000223791155317532,0.245181707113651]
["POS07673","LysoPC(20:1(11Z))",504.351,550.385075508332,0,0,0,0,0,10159.24522057,151983.151145969,142815.468295927,169174.431201132,106951.510617951,1,116216.76129631,16.8264586300571,0.00347169493990883,0.0121380599185758,0.100370454835566]
["POS07569","LysoPC(18:3(6Z,9Z,12Z))",450.6085,518.320280285474,174872.610969002,285787.527569398,218375.931955469,191923.345343287,239206.624258191,980550.396732194,1491717.7675646,1801136.7912077,1466941.27885049,1330629.59587041,222033.208019069,1414195.16604508,2.67113386100277,{"v":2.05710512648075e-05,"d":"2.06E-05"},0.000183661302010946,0.346594868483914]
["POS07490","LysoPC(16:0)",414.402,496.328782617376,8585798.57062484,9477990.76878391,9510946.22039543,8793612.11569458,8584284.24141657,2617023.33715431,3783460.57828863,5709986.75534181,4821641.64270398,4264585.2426527,8990526.38338307,4239339.51122829,-1.08456607557244,{"v":2.7656963391045e-05,"d":"2.77E-05"},0.000225336242710645,0.692933748459941]
["NEG01227","LysoPA(24:1(15Z)/0:0)",599.977,519.353367463885,124029.221411093,116198.530462174,76477.7488204889,81960.8696806054,86142.7301290152,557384.501798143,674675.032987904,732484.297036626,889605.666533691,608076.305730505,96961.8201006753,692445.160817374,2.83621113393558,{"v":7.2596319066023e-06,"d":"7.26E-06"},{"v":8.68244211717436e-05,"d":"8.68E-05"},0.246552057347252]
["NEG00196","L-Valine",695.699,116.070193276306,3903948.3294205,3646465.53770025,3183586.12605641,3445001.72520193,3435780.88168064,21789054.1405633,29976645.0220008,36988713.50702,31366033.1112534,33295505.7125899,3522956.52001195,30683190.2986855,3.12258992106076,{"v":4.82998563927878e-06,"d":"4.83E-06"},{"v":6.54682598924059e-05,"d":"6.55E-05"},1.67365009719327]
["NEG06019","Luteolin 7-O-(2-apiosyl-4-glucosyl-6-malonyl)-glucoside",33.9117,827.207454446641,809024.140300552,646723.211866992,826907.240536095,556913.820307026,847186.812556565,0,0,0,0,0,737351.045113446,1,-19.4919921093164,{"v":1.28092048007289e-06,"d":"1.28E-06"},{"v":2.75459485931059e-05,"d":"2.75E-05"},0.274925400542956]
["POS07607","Lumefantrine",35.4058,528.160168888642,498560.858129451,541036.270195562,474273.269345589,420170.892610191,293449.221658664,180702.302115068,158866.11863879,198289.07731378,143687.099737788,173863.413244333,445498.102387891,171081.602209952,-1.38073466307036,0.000239629408611619,0.00127299565881208,0.163745707302771]
["NEG03596","Lucuminic acid",416.113,445.133162336318,115342.868443961,80270.1316392737,95370.8870230794,55902.9495794643,127449.780871761,1494979.47501768,2173042.92257068,2659686.15131444,2580106.03062147,2371708.32575864,94867.3235115079,2255904.58105658,4.57165099148932,{"v":6.52593982188839e-06,"d":"6.53E-06"},{"v":7.95382256765852e-05,"d":"7.95E-05"},0.471204458761293]
["NEG04607","L-Tyrosine",280.258,180.065472159357,932246.870695658,731821.60830394,726167.742836495,783546.505130388,713948.296751616,1624441.48834983,2219239.20719738,2329933.25641478,2321826.39846536,2143777.72019323,777546.204743619,2127843.61412412,1.45239181054421,{"v":9.25675997409601e-06,"d":"9.26E-06"},0.000103255579461674,0.371836000543328]
["NEG05879","L-Proline",35.32915,114.05449695712,515473.455269642,456447.282801619,559677.41671711,514296.813041162,579023.118393469,993421.206481137,1164332.42895103,1301923.49500313,1147832.76581686,1192833.03773584,524983.6172446,1160068.5867976,1.14386579687925,{"v":2.47322861440352e-06,"d":"2.47E-06"},{"v":4.1733839515031e-05,"d":"4.17E-05"},0.256252064763131]
["NEG05704","L-Pipecolate",37.7335,128.070198564192,1336593.92407293,1456336.48657733,915646.598737627,1264612.90151068,1074320.48304591,21267.8262742644,31543.1703090085,23060.6091364114,44128.9686282697,76077.0175753679,1209502.0787889,39215.5183846644,-4.94684476733884,{"v":1.99932496880604e-06,"d":"2.00E-06"},{"v":3.63535796157294e-05,"d":"3.64E-05"},0.345566545200843]
["NEG05146","Loxapine",182.431,326.110310232148,6284396.61263989,7293805.36647707,5333157.16414133,8544392.22777629,5388498.20200523,2546116.96363758,1390885.98610702,1466578.06355327,1584282.65210464,1123754.73634333,6568849.91460796,1622323.68034917,-2.01757911341599,{"v":6.67884951937182e-05,"d":"6.68E-05"},0.00044991707680949,0.704024767991924]
["NEG01661","Lovastatin",561.4755,403.251861728047,342477.85554943,96370.5199803989,333098.969956266,286157.572741072,267603.446175182,1004680.02915361,606025.679853076,1077751.74697587,1473092.27856594,529809.630643241,265141.67288047,938271.873038347,1.82324257820583,0.00521610391098171,0.0171808783459655,0.238354900048454]
["NEG04962","Losartan",197.588,421.164797886289,107281.250774912,123828.058108765,93606.6204244575,69682.4979314016,54800.6888795916,515555.766362468,670509.412393583,816111.23710525,545168.275967849,546559.589186746,89839.8232238255,618780.856203179,2.7840015693945,{"v":1.56763513674366e-05,"d":"1.57E-05"},0.000150655976334945,0.230937884777155]
["NEG06053","L-Ornithine",32.5904,131.081068761354,399612.441809301,420174.724773555,462026.032349461,281158.603150288,311785.940247218,15158356.4617675,17904260.3177113,18214327.4215821,16371691.2783321,16745781.3020205,374951.548465965,16878883.3562827,5.49237147221073,{"v":1.69744656712873e-09,"d":"1.70E-09"},{"v":7.59267849476681e-07,"d":"7.59E-07"},1.31847532751123]
["POS06445","Lorazepam",28.7191,321.014915349445,7487.16438300652,139152.586113215,114372.421870022,104934.519800288,5870.60656593456,430517.04178644,571035.066029334,731389.054758478,660825.156439698,623983.463215707,74363.4597464932,603549.956445931,3.02080739120673,{"v":1.64427233917552e-05,"d":"1.64E-05"},0.000154739074867609,0.230311732421041]
["NEG03417","Lolitrem K",432.7405,600.323347275611,76593.4484011522,103281.678810533,114830.469637543,58326.3477970534,55080.5282919186,209863.67559461,250368.453009594,320020.598297808,315822.537381538,257288.615171137,81622.49458764,270672.775890937,1.72951108067628,{"v":5.01466198696414e-05,"d":"5.01E-05"},0.000359239199594043,0.136647102560503]
["POS06936","Logate",229.876,377.144066774285,0,13415.0630336413,0,0,0,57222.7714041996,34627.393752865,40061.5309048796,82594.0506500194,50282.5765772868,2683.01260672826,52957.6646578501,4.30291376462305,0.000448697480871012,0.00213821930694535,0.069153100381205]
["NEG03975","Lincomycin",399.969,405.204477334404,0,6876.65015639521,7759.40028961323,1338.69316969286,3783.08036191481,8907.80146365232,47114.4283958799,59569.8411591405,39085.7229431606,59798.9217251697,3951.56479552322,42895.3431374006,3.44032506243231,0.00339657612269166,0.0119347093454829,0.0585389510488312]
["POS05257","Limarin",220.464,248.110102629202,0,0,0,0,0,10141.9977132854,129693.487982469,153864.999103423,201485.185022523,114190.637808733,1,121875.261526087,16.8950457891102,0.00482697120195555,0.0160528194694031,0.102054761078528]
["NEG06567","L-Homocysteine sulfonic acid",27.2684,169.992826417646,123379.245433001,121384.691816971,44315.6521338652,110481.421465434,80033.9397924318,11176.8926883507,29617.2224694933,5848.72927676584,0,0,95918.9901283406,9328.56888692197,-3.36208879294986,0.00064136426501167,0.00287169405144865,0.0892733922878741]
["NEG06201","L-Glutamine",31.5936,145.060440798202,1070884.55702687,904813.467847824,574502.915693417,955146.678897438,640314.856518851,10266392.3207404,12948643.4082699,13969160.8530737,10216925.3976629,11987971.1943069,829132.49519688,11877818.6348108,3.84052343632934,{"v":4.16124106753449e-07,"d":"4.16E-07"},{"v":1.41009327993044e-05,"d":"1.41E-05"},1.07261960118588]
["POS05929","Levallorphan",202.115,284.205734974042,2027864.26965889,2576310.28293803,2561404.9484876,2236488.20056181,2560967.50433765,304225.025578012,1292287.3941112,742937.990332012,1166713.62722113,609249.276538875,2392607.0411968,823082.662756246,-1.53947423600583,{"v":7.85833429849996e-05,"d":"7.86E-05"},0.00051691660760574,0.397652874189008]
["NEG05015","Leu-Gly-Pro",192.5355,284.161201102077,4391.17497687942,780.840138848139,2128.09328555202,2601.94103420524,1229.34751170387,18696.6387004753,35927.4121995936,62119.9649613965,76769.6992708179,42067.9479275919,2226.27938943774,47116.332611975,4.40352068687485,0.00225130200311403,0.00836384872087131,0.0634687880287917]
["NEG05892","Leucodelphinidin",35.1084,321.06764632913,494037.753004076,348396.6835413,514616.476255104,906743.660856362,271470.314810435,1338207.84719792,1650044.49529304,1880865.3184778,2497880.24284117,1758056.54706407,507052.977693455,1825010.8901748,1.84769667757864,0.00032743079986347,0.00165866134517475,0.353595180246595]
["NEG06447","Leucocyanidin",29.1424,305.068334833418,22971.1842427349,0,34095.9998922119,24232.1913473633,0,372315.982094036,518406.993609666,802860.213821221,517287.966403834,754686.738833972,16259.875096462,593111.578952546,5.18891545669839,{"v":9.96194622972091e-05,"d":"9.96E-05"},0.000630810348806369,0.239793790769644]
["NEG03632","Lercanidipine",413.666,610.288873543353,123040.761155851,129059.035077102,141108.036697938,151105.332618333,163962.73604855,19104.9711030708,67969.9544186743,113930.80615707,66690.3635507872,57656.6563260899,141655.180319555,65070.5503111384,-1.12230670195453,0.00186683130721395,0.00711272268924019,0.0830114242699118]
["NEG06059","L-Citrulline",32.4492,174.08722333126,848107.75548299,706930.308541404,1138792.02779255,645210.964945138,696444.656879781,9163430.85655882,10740831.1099924,11321540.9280986,8697107.35532627,11056312.654347,807097.142728373,10195844.5808646,3.65909514921428,{"v":1.1763769754577e-07,"d":"1.18E-07"},{"v":6.81225862409188e-06,"d":"6.81E-06"},0.991391238360989]
["POS03067","L-Carnitine",32.4797,162.111894997288,20205782.3106427,16963898.8729719,21018556.5635677,15197129.3082256,11614963.4185933,2772708.78300802,2418261.61819577,2299430.06469394,2341752.14573794,1972541.60916251,17000066.0948002,2360938.84415964,-2.84810777868481,{"v":2.76063676192233e-05,"d":"2.76E-05"},0.000225334456862748,1.22080396581996]
["NEG02772","Laserpitin",503.917,449.24871914364,158530.37578429,166761.035569983,168586.110409069,167176.51019893,151401.016325326,203890.651665266,350485.972036099,434526.101609163,342164.852491183,335697.056385123,162491.00965752,333352.926837367,1.0366904954635,0.00175465162801081,0.00673168629237163,0.124084013997761]
["POS04851","L-Arogete",206.093,228.081720123064,88249.2202122458,329761.458372144,274004.215243471,89745.3171576973,199060.060514006,5464845.52350511,5826401.92799751,6698720.89579539,6520770.85852111,5720245.85667312,196164.054299913,6046197.0124984495,4.94589538222865,{"v":9.75041040252639e-09,"d":"9.75E-09"},{"v":1.61531799001854e-06,"d":"1.62E-06"},0.783960359225764]
["NEG05333","L-Anticapsin",165.4655,198.076107863953,27662.0030167096,28685.0409558206,31431.9364628227,24582.704130583,44180.0319036949,544743.656525932,1216738.67813664,1581827.84017689,1677904.45834944,1322766.31458393,31308.3432939262,1268796.18955457,5.34076936410557,0.000258003740570173,0.00134976693750922,0.346280575259807]
["NEG05728","Lamioside",37.44885,419.160270588235,0,0,0,0,0,8294.11262648537,10707.6379755982,15830.7859543646,12939.8228946416,10519.9122757176,1,11658.4543453615,13.509088911133,{"v":1.65956941489009e-05,"d":"1.66E-05"},0.000155298200686263,0.0343698078656545]
["NEG00203","L-Alanine",692.965,88.0387971395559,881088.862176446,1401765.56762222,1125482.01699225,1612241.94798758,1227714.90943035,11476286.1535767,15694466.3602257,18000854.1174874,13370208.8977256,14685390.6318648,1249658.66084177,14645441.232176,3.55084567127683,{"v":1.95788191102104e-06,"d":"1.96E-06"},{"v":3.58918269999882e-05,"d":"3.59E-05"},1.17502939428905]
["NEG05075","Lactodifucotetraose",192.2375,633.231572163854,0,0,0,0,0,244501.810608169,508930.099365189,613670.195954384,682514.474217382,409817.307899411,1,491886.777608907,18.9079667489848,0.000216795974072369,0.00117400531722241,0.217847398661541]
["POS07798","Labriformin",450.237,618.244839669592,0,29831.974924783,27896.653970382,35646.4230820751,0,93770.7426474222,141427.912412202,206221.66893355,191618.540780343,174055.704083617,18675.010395448,161418.913771427,3.11162868073004,0.000162911491360222,0.000928284204909903,0.117568059053256]
["NEG02710","L-2-Hydroxyphytate",510.976,327.290236947286,623288.696511167,721762.416320978,582918.418686288,491743.657978474,556105.76741229,2227399.83269865,3850156.05610859,4612268.29407329,4960925.89961507,3678522.80450072,595163.791381839,3865854.57739926,2.69942870498873,0.000125651511420945,0.000757332640045158,0.566502958519455]
["NEG05845","L-2-Aminoadipate",36.46955,160.060203574693,264305.249403486,169643.570427416,231702.934369763,193566.168399528,145350.01980233,339910.346659302,581587.927324211,515036.035887491,563246.421969644,701370.006506335,200913.588480505,540230.147669397,1.42699901020295,0.000622219576961288,0.00279717403793753,0.179657294915087]
["POS04467","L,L-Cyclo(leucylprolyl)",28.18145,211.140982436485,235693.820746744,212919.137827187,251807.390844128,206503.449733689,241407.058289029,45273.1938867015,56295.3308163655,59360.9583948947,23446.1107938297,64127.9948891277,229666.171488155,49700.7177561838,-2.20819977982069,{"v":2.35208903399164e-07,"d":"2.35E-07"},{"v":9.88952402217277e-06,"d":"9.89E-06"},0.136765021014012]
["NEG05706","Kokusaginine",37.7261,258.082893723476,0,0,0,6441.18969747437,0,177733.086307028,323590.952804334,434042.214169037,349714.770749032,334570.726775559,1288.23793949487,323930.350160998,7.97414074933693,{"v":5.28652449697407e-05,"d":"5.29E-05"},0.000371802265329638,0.17956069453084]
["NEG05314","Kinobscurinone",166.083,305.04671714731,173665.270954298,40988.9725579474,24109.4061167571,187159.323072908,36498.8217832499,673045.020646075,717268.945713789,906297.268078186,572099.273875703,814651.021621481,92484.3588970321,736672.305987047,2.99374170736525,{"v":1.26416503097341e-05,"d":"1.26E-05"},0.000130591459204251,0.257037667340246]
["NEG04142","Kinetensin 4-7",373.573,570.276375562343,657912.054097701,673315.408725185,783364.763416798,726977.774854267,696663.447454788,164320.869458575,137790.358615159,210400.754587949,145111.351715838,161707.602054361,707646.689709748,163866.187286376,-2.11051104403669,{"v":2.51734314405898e-08,"d":"2.52E-08"},{"v":2.88719894445534e-06,"d":"2.89E-06"},0.240021981808029]
["POS07349","Kimycin D",34.6027,455.114418518855,2312534.07644758,1744148.05780602,1219953.99364314,1308312.34994764,1433044.55892118,0,53461.8067981603,94501.1273432208,62888.5930799442,110108.743269241,1603598.60735311,64192.0540981133,-4.64277453256625,{"v":5.58337363756162e-05,"d":"5.58E-05"},0.000387863039574006,0.385349176444316]
["POS06319","Ketotifen",309.839,310.132580171194,0,0,0,0,0,468998.773822988,696179.552977569,721987.245656077,858442.133053439,826704.901256156,1,714462.521353246,19.4464988081148,{"v":6.22442346897436e-06,"d":"6.22E-06"},{"v":7.71242276363498e-05,"d":"7.71E-05"},0.271074397567136]
["NEG06157","Ketamine hydrochloride",32.11165,272.064939046248,0,39312.7926831057,0,49367.1623561357,29276.4076985491,493257.213843798,640971.438242196,505214.241048851,593477.689819029,540581.732797942,23591.2725475581,554700.463150363,4.55538378319225,{"v":9.3395653674517e-08,"d":"9.34E-08"},{"v":6.14351116008992e-06,"d":"6.14E-06"},0.235114752797278]
["POS07817","Kelevan",27.9155,630.782476685772,309781.035599859,434778.779427882,764503.764455124,305870.982068333,681781.480995983,1143389.1844512,1238516.40018935,1473605.14850558,1967707.22531981,1206544.82832674,499343.208509436,1405952.55735854,1.49344425817638,0.000957868233640985,0.00401550572546966,0.287874629403453]
["NEG03111","Karounidiol",461.875,439.365067746725,0,0,0,0,0,42348.2551333581,105518.974360966,142134.623114432,91585.2197539553,78815.7501934327,1,92080.5645112288,16.4906090576661,0.000488393459388122,0.0022995620461506,0.093235431690347]
["NEG03389","K-252c",438.08,310.098386168346,0,8160.10459057762,0,1399.2484059289,0,1332927.24888548,1802588.72480191,2381339.34564263,2025226.39907161,2281233.23024901,1911.8705993013,1964662.98973013,10.0050812633245,{"v":6.01975679460927e-06,"d":"6.02E-06"},{"v":7.64953754042251e-05,"d":"7.65E-05"},0.44991805917639]
["POS07840","Janthitrem F",204.7365,646.384419056164,460529.250048203,397850.188347011,376520.081648249,449973.159458231,403930.353852928,109829.841914875,0,0,0,0,417760.606670924,21965.968382975,-4.24933444981608,{"v":4.8863155882232e-07,"d":"4.89E-07"},{"v":1.5305664717455e-05,"d":"1.53E-05"},0.202349925251429]
["NEG01845","Istamycin Y0",547.805,317.224944365304,1159842.53099596,1362106.97119822,1219894.46967686,1182179.53465575,1238071.35916247,2685087.31426465,2604693.01264653,3303560.47957903,2697539.72464178,3224949.22974974,1232418.97313785,2903165.95217635,1.23613424434649,{"v":4.36320321380218e-06,"d":"4.36E-06"},{"v":6.13729810545193e-05,"d":"6.14E-05"},0.416004404526914]
["NEG01228","Istamycin C0",599.9705,345.256169646075,1303287.01843402,1025226.17645784,999793.309931066,1197685.55575707,1391666.72554255,211447.233365673,354516.156423503,341880.078449303,405531.485994639,298478.513489778,1183531.75722451,322370.693544579,-1.87630591712251,{"v":6.46082892899305e-06,"d":"6.46E-06"},{"v":7.91761309572217e-05,"d":"7.92E-05"},0.293414408417038]
["NEG04842","Isovalerylglutamic acid",222.4175,230.100913973601,1999.92671090887,7150.58853577252,3399.08146274323,0,2123.78292027611,734588.437465863,1240551.17972727,1126766.37744673,1265376.54337594,1201260.87044723,2934.67592594015,1113708.68169261,8.5679549973842,{"v":3.21779016532146e-06,"d":"3.22E-06"},{"v":4.98033751193179e-05,"d":"4.98E-05"},0.338037455636172]
["POS03941","Isosorbide mononitrate",36.206,192.054801753771,586144.623149818,518933.914457612,458593.743214533,462203.965222896,866679.365241933,1589643.10410386,1363735.27849149,1553049.23202952,1274692.60648129,1294282.43277442,578511.122257358,1415080.53077612,1.29046755620846,{"v":3.21879703682004e-05,"d":"3.22E-05"},0.000252590862205193,0.292206165335831]
["POS06037","Isoprothiolane",100.1441,291.068879584327,1812713.51107454,3810633.28190002,1716547.39253378,1539857.43395122,1183323.00748523,2809467.10955038,4494676.99297969,6412705.84236436,4546167.17575598,3524744.8330316,2012614.92538896,4357552.3907364,1.11444684283391,0.0152602956051145,0.0428226488341763,0.424511025891658]
["POS05987","Isolobinine",37.2763,288.202095460282,0,0,0,0,0,106418.980556285,248937.646793887,186487.307693068,168062.566239788,115519.646340348,1,165085.229524675,17.3328515199165,0.000213961459716803,0.00116571206980909,0.125286606496067]
["POS06106","Isoleucyl-Tyrosine",220.357,295.164189253348,0,0,0,4426.28796327704,0,52073.0144999371,64971.2440159469,77407.097074999,66347.5316126825,50814.7706100586,885.257592655408,62322.7315627248,6.13751734455721,{"v":1.84369015600313e-06,"d":"1.84E-06"},{"v":3.51542238236781e-05,"d":"3.52E-05"},0.0793716566098654]
["POS05820","Isoleucyl-Phenylalanine",244.852,279.169325491998,518180.946862165,258563.940379615,361909.327509393,513975.175510103,441293.837146943,107250.200343324,117236.860497251,129924.891447245,141821.529608054,133133.836299328,418784.645481644,125873.46363904,-1.73423437820183,0.000356970472486484,0.00177217416585133,0.165422424079658]
["NEG05461","Isoleucyl-Lysine",89.0371,258.181921029851,46706.3784998178,10586.9057098229,16875.5741190935,46548.0803452693,29497.2011127431,87814.9492084143,88107.3777044705,91764.538452474,90479.811464242,90408.6827852064,30042.8279573493,89715.0719229614,1.57832975353488,{"v":4.38129397528603e-05,"d":"4.38E-05"},0.000322031456444672,0.0778663558961812]
["POS03777","Isoflurophate",31.17775,185.076084693741,3101822.26264204,3474147.06880993,3072347.50638084,2948689.20726372,2946462.72468779,337877.607033238,381864.885128895,277094.758466746,175213.750237938,352158.528730458,3108693.75395686,304841.905919455,-3.3501753542258,{"v":3.67461807791986e-09,"d":"3.67E-09"},{"v":1.02728541640847e-06,"d":"1.03E-06"},0.543704465891017]
["POS06650","Isocorypalmine",165.282,342.175901643288,98671.9309433081,62379.7014672918,64288.3290824589,168363.170835777,87649.0891433062,299750.740694321,188959.852379611,187174.404015275,137775.19558644,210250.429660333,96270.4442944284,204782.124467196,1.08892493366988,0.0107641487036337,0.0318861173187771,0.0934745886975561]
["POS07657","Isochamaejasmin",35.03155,543.131893141085,862015.636966303,538548.7292495,567316.843680402,507575.507187577,459660.178308281,107373.331273766,43100.4203017889,140652.542516948,231432.727507538,108047.579354535,587023.379078413,126121.320190915,-2.21860578514719,0.000339661345199648,0.00170134960479062,0.207473071236604]
["POS07585","Isobrucein A",35.6711,523.204769384514,899587.837387564,844593.269019621,785506.62165706,1147682.85133402,671667.984454287,210627.63969079,131598.936350659,171661.475961173,273253.796400657,117751.919329803,869807.71277051,180978.753546616,-2.26487616308627,{"v":3.64365111521825e-05,"d":"3.64E-05"},0.000278599169886688,0.26410327349301]
["NEG04273","Iprobenfos",355.405,287.082381796181,0,895.124380299337,0,1481.43407847188,0,7762.44537416239,25306.5093762682,36666.5423361195,22801.3163687353,28092.8514232132,475.311691754243,24125.9329756997,5.66556703419613,0.00104038118228379,0.00430891206329204,0.0468821985688766]
["NEG03988","Indivir",399.14,612.351692145104,128576.036206671,147988.657021629,161062.878710888,139592.137365472,151880.941746186,0,2679.65686701367,7337.88464208017,9163.24042825127,2660.84709723131,145820.130210169,4368.32580691528,-5.06096562253805,{"v":8.22143067563444e-09,"d":"8.22E-09"},{"v":1.53672879690602e-06,"d":"1.54E-06"},0.12243031800067]
["POS00418","Iminoglycine",204.853,74.0237469264474,1850444.32723059,383889.590675534,364259.813964644,223989.028820398,1716978.84458817,4498544.01677412,6996794.50368418,7935103.67062956,7782182.80331556,4475106.22123025,907912.321055867,6337546.24312673,2.80329948370265,0.000214642853470497,0.00116604244587068,0.728034093384208]
["POS06259","Imicyafos",37.1146,305.116295197127,149077.338892863,99723.3288276619,158451.193547628,150874.249097954,237739.157539218,322113.857674677,260560.696558027,326859.329550432,498271.222427555,396781.750914873,159173.053581065,360917.371425113,1.18107246111154,0.00240381503609621,0.00884232290827168,0.135732436794701]
["NEG05107","Imazaquin",190.645,310.115465909544,403417.837139331,413970.695362601,388064.739545841,470649.432483059,335402.699721799,27479.2468312498,21899.9904821634,24469.0418022873,26119.1451482902,16130.2319228942,402301.080850526,23219.531237377,-4.11486486195055,{"v":1.251005796197e-07,"d":"1.25E-07"},{"v":6.95519790355319e-06,"d":"6.96E-06"},0.199845517691123]
["POS05504","Imazapyr",218.736,262.117631737534,16643.8849704649,0,6432.54450037298,8617.28620499356,6725.14997966847,44747.4978899205,55450.015059932,31853.5866694087,33583.5969270136,44455.4847070423,7683.77313109998,42018.0362506634,2.45112190984207,0.000138824171788677,0.000818129802912716,0.0580502951945504]
["POS06267","Imazamox",450.4985,306.150886575487,0,82717.7101214202,20679.8122103235,30830.8163340187,79439.4618518381,247155.991483606,476184.931398494,557019.242322703,385287.815405143,456596.04110683,42733.5601035201,424448.804343355,3.31214913394172,0.000113830594181985,0.000701328164980745,0.193989398520192]
["NEG06711","Idoxuridine",24.842,352.967678240528,65563.9442896252,93380.9121982856,20629.8980864555,83710.5333600701,44900.3253644649,0,7962.37891594313,3523.07529131956,0,0,61637.1226597803,2297.09084145254,-4.74591969941377,0.00207773212008739,0.00779672464190511,0.0724986416775588]
["NEG04509","Ichangin",301.098,487.194729944603,70483.0641196924,61585.5100428409,105865.350858342,75075.8130295433,87718.6890617202,7073.06150998185,2652.85815117407,5122.87401899608,4437.05716392262,1158.1112668659,80145.6854224278,4088.7924221881,-4.29287812835959,{"v":9.8228503763234e-06,"d":"9.82E-06"},0.000108220713628804,0.0886165942468566]
["NEG06085","IAA-94",32.37745,355.042412906969,14673.0694917765,0,16206.9786386884,0,0,180770.103123628,122688.522909392,270383.021204339,174759.564190421,411385.05915966,6176.00962609298,231997.254117488,5.2312889184895,0.00217456057726385,0.00812598952556491,0.144533057777622]
["NEG03997","Hydroxytyrosol 1-O-glucoside",397.012,315.113809139119,0,0,0,0,0,4436.23234433342,3514.05058081283,13177.6495999036,4216.03356282831,13863.2326346225,1,7841.43974450013,12.9369028524659,0.00976731759823994,0.0292484664219644,0.0257320115457632]
["NEG01859","Hydroxysintaxanthin 5,6-epoxide",547.551,461.311867271412,804082.672374705,2916610.91030742,2783714.28453065,913578.519801716,2027237.96143677,2103545.9105097,6120859.39337029,4729819.30490362,6459148.43868159,4345582.61408655,1889044.86969025,4751791.13231035,1.33081445318562,0.0125474945243764,0.0363503516888185,0.468632605548203]
["NEG05779","Hydroxypropionylcarnitine",36.93625,232.118391985978,1280980.34086756,2057651.08844265,1254485.15105868,895501.463806462,1500063.39702853,0,5427.17158027897,0,0,0,1397736.28824078,1085.43431605579,-10.3306040515112,{"v":8.40058901373495e-05,"d":"8.40E-05"},0.000544577313890383,0.369881692354502]
["NEG06488","Hydroxymethylphosphote",28.1106,110.983688771253,2037869.87382012,1974763.37137021,1610513.35727045,1831023.83963928,1554737.58959683,449304.804087744,721400.021949786,848135.800028842,733609.520756691,701084.277775533,1801781.60633938,690706.884919719,-1.38327864339223,{"v":1.18538889207615e-05,"d":"1.19E-05"},0.00012474977921282,0.334418255484914]
["POS06070","Hydroxyflutamide",181.019,293.079004444788,22329.2171440724,0,0,0,7269.801216148,11996.9050869378,174215.416671544,229106.396441486,183085.238636538,194374.123774603,5919.80367204408,158555.616122222,4.74329583889358,0.00388977730821793,0.0134024061816936,0.115952462469198]
["NEG00662","Hydroxychlorobactene glucoside",673.162,711.44768334296,5198.07373708149,39350.1029895232,77852.3460189194,51402.3316657328,54484.4704989631,67322.4305030259,228439.626423202,189221.447366336,162960.367474919,358572.072758793,45657.464982044,201303.188905255,2.14044736179211,0.0129639982705897,0.037173314969529,0.111627211225878]
["NEG04977","Hycanthone mesylate",196.848,451.128982071429,0,0,0,0,0,111950.718907894,151420.88322307,187333.201740133,133640.252974764,150285.035945902,1,146926.018558353,17.1647303742199,{"v":2.3285901406935e-06,"d":"2.33E-06"},{"v":4.05283412424982e-05,"d":"4.05E-05"},0.123176074511447]
["POS06502","Humilixanthin",34.5302,327.116493064392,2362896.84849546,3004613.12538284,2780196.14161252,2432999.08610622,2202437.12005772,460942.515915934,1140899.90579008,363799.788203654,1427900.32930634,615084.665588043,2556628.46433095,801725.44096081,-1.67306235897712,0.000119606251876435,0.000726900495439258,0.419893258922477]
["POS07571","Hodgkinsine",450.418,519.323609117091,0,18415.6969937289,15055.6324451926,0,0,158010.560439532,269405.894263568,321228.869866361,225998.854726491,243344.318491032,6694.2658877843,243597.699557397,5.18543084464152,{"v":2.28334401609967e-05,"d":"2.28E-05"},0.000197169841390228,0.154312050430626]
["POS05895","Hexachlorobenzene",28.05125,282.81514136871,336228.218539226,308832.707489564,272492.484379096,355514.754438984,248822.506301574,36499.9122457412,101182.542813965,52804.0427601105,59531.3095825479,43809.0697048618,304378.134229689,58765.3754214453,-2.37282644882648,{"v":4.70137899647836e-06,"d":"4.70E-06"},{"v":6.42151951002866e-05,"d":"6.42E-05"},0.15909565326265]
["POS04234","Heteropyrithiamine",92.6141,202.117896174027,2065527.78419808,1804984.97327264,1598998.70318764,1545775.93694019,2723023.55346247,3888706.03398607,3771289.41342667,3937996.82157581,4254232.28787741,3639250.16879896,1947662.1902122,3898294.94513298,1.0010997763689,{"v":3.63490332152506e-05,"d":"3.63E-05"},0.000278490657375952,0.447261169630874]
["NEG06480","Heritonin",28.27995,257.113626609297,215157.951813233,156699.72537754,241267.262319448,224611.600739913,311998.48209279,61278.7979391661,0,0,0,0,229947.004468585,12255.7595878332,-4.22976959629334,{"v":5.11630773964184e-05,"d":"5.12E-05"},0.000363257849514571,0.146697340043645]
["POS07764","Hericenone E",31.8436,595.401264820409,83141.480910691,47791.1297873561,0,247485.712305872,130203.19330118,682284.239943533,743426.928406551,683883.961023551,435784.423101376,591180.723221933,101724.30326102,627312.055139389,2.62451888836535,{"v":5.78102167970402e-05,"d":"5.78E-05"},0.000398436209142004,0.228257106689684]
["NEG03681","Helveticoside",411.4935,533.268542983957,97674.0855824141,97758.1230705484,104296.327960062,100749.126749299,54876.1187634554,13706.8231794964,11148.6085429927,16669.7879893709,24251.5826652429,2966.52947551418,91070.7564251558,13748.6663705234,-2.72769618397502,{"v":4.71665249059599e-05,"d":"4.72E-05"},0.000340833385952114,0.0888961943952322]
["NEG03702","Hellicoside",410.8335,655.18968821092,36984.1227750608,59788.8837670773,86114.1693071069,60985.0175635821,51439.585313333,0,5841.2627535456,20029.1326673256,11042.8450435842,8287.12297915858,59062.355745232,9040.0726887228,-2.70783262245443,0.000415348171542451,0.00201284113901342,0.070481973517613]
["NEG02519","Hebevinoside I",522.16,807.494688387659,20342545.7433128,10916777.180113,15037907.7359639,12340251.2192756,10700914.2308575,754827.35731318,2051646.79141363,2816964.70614938,1826208.32607339,2323230.83007585,13867679.2219046,1954575.60220509,-2.8267990768721,0.000183589905940886,0.00102778178882801,1.06797234727086]
["NEG04145","Haplophytine",373.535,651.276362594719,36602.5412012718,55828.3366282367,64233.4016127362,56224.3053813167,46456.0714629166,0,4673.07392900487,11120.3324456718,2075.90251217653,3798.9730708965,51868.9312572956,4333.65639154994,-3.58121396956428,{"v":1.43187054699876e-05,"d":"1.43E-05"},0.000142210785836917,0.070414070753408]
["NEG02384","Haloperidol",527.7485,374.129580285926,0,0,0,0,0,41482.4257212142,90579.5025943025,136965.749408629,244717.217630234,59585.7141834151,1,114666.121907559,16.8070796846622,0.0134505815361015,0.0383457305359987,0.094728477929705]
["NEG02137","Gypenoside LXXV",531.645,783.495012286272,3516582.21365165,2882948.65427329,3488567.5637206,4311475.64711167,3312434.14765215,403083.340531407,492475.251630437,662132.119845666,669927.050818402,588102.540200224,3502401.64528187,563144.060605227,-2.63676859992285,{"v":1.68922634336885e-06,"d":"1.69E-06"},{"v":3.31062939779986e-05,"d":"3.31E-05"},0.552214786435177]
["NEG03114","Gymnodimine",460.992,506.324810210595,107111.962714524,473486.334249766,464013.20677257,432722.009720507,423595.012412117,586803.144560932,959503.631818974,906216.321452135,1174703.69744241,1183807.06832838,380185.705173897,962206.772720566,1.33964266594084,0.00197922530832774,0.0074835797161031,0.227090017373037]
["POS06618","Griseophenone B",32.8069,339.063053706984,1297878.05320535,2814759.12695817,2429335.62068706,1630577.15934561,1423210.17892265,4501251.35992351,5156506.21342378,4144117.07706349,4336482.03306617,4132602.73562183,1919152.02782377,4454191.88381976,1.21469470907219,{"v":9.3393581821629e-05,"d":"9.34E-05"},0.000597638757493772,0.491234933132661]
["POS07572","Gravacridonetriol glucoside",35.92285,520.185769577753,1725661.34839278,1433954.69494463,1625767.30406395,1917062.09218716,2465409.58369033,13874.3682730831,26293.0698802995,47488.9766201102,45103.6428811263,62943.3105201434,1833571.00465577,39140.6736349525,-5.54984373912829,{"v":7.46268541203098e-06,"d":"7.46E-06"},{"v":8.85426839469883e-05,"d":"8.85E-05"},0.424831155033327]
["NEG06344","Gossypin",30.4321,479.090633594716,0,0,0,0,0,27112.9001265235,109863.094320798,28234.1392525117,33308.4938007546,37598.9732789814,1,47223.5201559138,15.5272179671176,0.0172240876685977,0.0473592712497092,0.0592482520170876]
["POS07699","Gossypetin 8-glucoside 3-sulfate",34.8699,561.04491889299,414066.215149463,160034.981569212,106007.212247295,145378.637547516,259347.158461127,1101111.65491295,1136767.70193663,1068948.86993569,1089425.17391215,992567.349499718,216966.840994923,1077764.15003943,2.31249502608924,{"v":5.68350804662413e-07,"d":"5.68E-07"},{"v":1.6615902936307e-05,"d":"1.66E-05"},0.30105809644938]
["POS04878","Glyphosate-isopropylammonium",210.734,229.096419464787,0,0,0,12059.5519428026,5693.00295577725,16884.1948405349,138629.572614021,229072.94943652,245824.535019596,162767.44337828,3550.51097971597,158635.73905779,5.48154735407292,0.0051843350376544,0.0171014237635901,0.115282535938577]
["NEG03054","Glycyrrhetite",473.38,469.342794978443,859673.115330063,751419.86236267,765734.356830441,910188.994859111,883389.804601271,910240.572059012,72312.2700499525,102647.676089699,90001.5261146608,77993.2326036963,834081.226796711,250639.055383404,-1.73457664945994,0.0084182311704678,0.0256853670023891,0.218856588590516]
["NEG05781","Glycyl-leucine",36.9361,187.107691121467,1990137.03778962,2834487.36777875,1984709.00438419,1741010.49280979,2381236.90530422,154148.678361608,417772.389520302,461093.341834307,473485.712957078,445463.451681285,2186316.16161331,390392.714870916,-2.48550400709876,{"v":1.94593779810941e-05,"d":"1.95E-05"},0.000175842015574614,0.424100789641141]
["NEG05979","Glycoperine",34.37965,390.122015074284,831630.565196503,579498.530758624,552461.003933632,1021854.12292364,784685.254258529,22227.492200808,26343.4137625327,0,0,19521.2932103925,754025.895414186,13618.4398347466,-5.79098073174623,{"v":2.72671986693618e-05,"d":"2.73E-05"},0.000223791155317532,0.271339996998194]
["NEG03685","Glycinoeclepin C",411.2695,513.257762109117,91506.5906907078,57791.1882128303,71944.1770060767,69275.6519339821,88629.726905514,0,13626.2543412249,31946.9582152742,0,3205.46266019745,75829.4669498222,9755.73504333931,-2.95843609986828,{"v":6.63835666228398e-05,"d":"6.64E-05"},0.000448540322513539,0.080150154391182]
["NEG02933","Glycerone phosphate",488.428,168.988112092026,9084641.57315343,10457577.4464882,7332271.30640215,7353727.61277731,8532191.50093098,3017951.97441363,4143844.86437047,3937105.83919335,3616623.49426498,2775917.23857481,8552081.88795041,3498288.68216345,-1.28962632046626,{"v":4.84315817486535e-05,"d":"4.84E-05"},0.000347727873453816,0.705872623299014]
["NEG06023","Glycerol 1,2-di-(9Z-octadecenoate) 3-octadecanoate",33.8627,885.78460976148,2093006.05411627,1242564.45614411,1237258.89926192,1925244.94124274,1262851.68831083,0,0,0,0,0,1552185.20781517,1,-20.5658692804927,{"v":3.54099800722201e-05,"d":"3.54E-05"},0.000273084208384553,0.391712895883064]
["POS08067","Glycerol 1,2-di-(9Z,12Z-octadecadienoate) 3-octadecanoate",35.1384,883.755354264996,305932.3659696,908151.823234857,873201.731759696,881504.369262175,254093.934839644,0,0,0,0,0,644576.845013194,1,-19.2979928381606,0.00254231608652188,0.00928308559592845,0.246669213497849]
["NEG05758","Glutathione amide",37.1539,305.092114285313,661437.067375224,800070.471869605,730716.517874516,927797.292283733,648894.044857827,194823.80267694,420078.998870894,440560.970517502,318845.832982222,417545.584877823,753783.078852181,358371.037985076,-1.07269535965419,0.00043320760490199,0.00207339994651566,0.195808573661259]
["POS07905","Glucosyl passiflorate",43.91905,697.406134407966,201495.861555752,97558.7704066121,194732.226701779,199189.841204377,238115.349912749,226602.771824331,390252.442696322,554349.158148264,368711.331403738,326041.965501077,186218.409956254,373191.533914746,1.00292055020325,0.0124305236142972,0.0361050208615269,0.12245375148077]
["NEG05912","Glucolepidiin",34.8203,346.029058372727,0,36956.7312555105,17828.6363028712,0,24193.9220002636,375720.5478044,810196.71053981,948657.317498661,698438.040695231,753897.730833058,15795.8579117291,717382.069474232,5.50512348584013,{"v":7.88895967142522e-05,"d":"7.89E-05"},0.000518169113220044,0.263604280591706]
["NEG03637","Glimepiride",413.662,489.223276939271,321348.914547126,331583.620787676,363335.109824744,333564.207137916,336754.838548598,80769.3142133575,128391.090647714,206459.518217646,176560.172591777,149403.228850942,337317.338169212,148316.664904287,-1.18542576649404,{"v":3.06102463860571e-05,"d":"3.06E-05"},0.000243629238585113,0.1379795029372]
["NEG02138","Ginsenoside La",531.632,781.487247199571,40688639.5072937,31881004.7969797,36940745.7360175,49153490.3788064,35251150.9334944,7207358.21074343,6776468.22215584,8197908.07357346,8401837.51373557,7123531.84309498,38783006.2705183,7541420.77266066,-2.36251638647516,{"v":5.84863210476646e-06,"d":"5.85E-06"},{"v":7.53877150728272e-05,"d":"7.54E-05"},1.7907844301823]
["POS07200","Ginkgolide B",29.0198,425.141018362492,0,0,0,0,0,481715.825606181,930592.95784424,751330.065942707,809620.043552106,660015.953380827,1,726654.969265212,19.4709109798636,{"v":1.1108944911041e-05,"d":"1.11E-05"},0.000119735688161654,0.270722715039606]
["NEG05624","Gemcitabine",44.5141,262.069363360927,38466.0312639011,19240.6075053445,14342.4678412852,29451.181602592,16823.2217892475,100238.556048575,151507.20649313,171165.124308725,161016.221457316,144714.190807398,23664.7020004741,145728.259823029,2.62247201386549,{"v":1.37115438536012e-05,"d":"1.37E-05"},0.000138134539768374,0.111614505778184]
["NEG06427","GDP-mannose",29.6059,604.069392055813,163743.488897609,263246.576481754,194042.186353175,100632.722633022,210998.835337225,15738.2171424464,71040.3632856776,33446.1208321787,40755.7018843371,69574.0447140492,186532.761940557,46110.8895717378,-2.01624963886341,0.00126165051618964,0.00508869500353134,0.112927562432056]
["POS07519","Garciduol B",170.348,503.085973092341,0,0,0,0,0,14011.9621426747,85196.1000427616,51468.3061068643,76777.1657956791,66089.2266416509,1,58708.5521459261,15.841283057328,0.00155976163120936,0.00608878092760078,0.0728160821762059]
["NEG05826","gamma-L-Glutamyl-L-cysteinyl-beta-alanine",36.5973,320.091723895465,0,0,0,0,0,34374.6912459775,68322.3085751842,89876.1339598895,79757.6484193607,58056.0762650371,1,66077.3716930898,16.0118686825181,0.0001230717408861,0.000744842427641598,0.0804354154428791]
["NEG05869","gamma-Glutamyl-gamma-aminobutyraldehyde",35.9784,215.102905081022,75392.7319071031,68479.0313290025,46073.8923082592,40775.0538118861,42097.4499880671,198509.29426734,91298.3842912683,375106.166242453,323981.858367237,302552.782303368,54563.6318688636,258289.697094333,2.24297851555409,0.00406656277844486,0.0138852941282319,0.134774200558848]
["POS05557","Furofoline I",281.4925,266.079957725068,0,0,0,0,6119.45808681983,240493.057182125,343773.69455597,343349.978542467,209942.598668703,255462.790536595,1223.89161736397,278604.423897172,7.83059855137627,{"v":8.05056686593517e-06,"d":"8.05E-06"},{"v":9.25711711859332e-05,"d":"9.26E-05"},0.167759056249446]
["NEG02105","Fucoxanthin",533.3655,657.428337548014,18328.9773518753,57961.3532026408,49256.4947605351,26716.7784075554,44107.3675219487,92394.8466260022,157017.663504766,154247.346014864,73562.9913013506,139053.41469361,39274.1942489111,123255.252428119,1.64999554471555,0.00189649363318843,0.00720120205539205,0.0864302693809281]
["NEG05926","Fructoselysine 6-phosphate",34.7603,387.114285907712,257213605.47594,192567120.305937,197188813.314829,270361817.021568,228168522.434215,16729746.7177175,14155814.723538,20465508.6584352,16272680.3101093,19314546.548546,229099975.710498,17387659.3916692,-3.71984166064317,{"v":8.38330092418405e-07,"d":"8.38E-07"},{"v":2.14277171622144e-05,"d":"2.14E-05"},4.6630945544444]
["NEG05795","foxidine",36.8806,424.229680925956,0,0,0,0,0,36125.6783405802,115327.788460028,106693.991842876,165298.480732895,117860.444679461,1,108261.276811168,16.7241577825501,0.00080217468111471,0.00344907584698873,0.100550127746186]
["NEG01662","Fortimicin A",561.368,404.254596058881,19611.108715677,22421.9558935734,61965.2141442936,17278.0529508895,7709.79396677678,111144.512319718,190591.230865224,179300.045128844,256904.404531533,174203.111670311,25797.2251342421,182428.660903126,2.8220446091311,0.000243632589476612,0.00128966694997501,0.121989077101623]
["NEG03930","Forsythiaside",403.222,623.210899871075,10956.2669834677,8485.068615939,9089.01140866757,17738.7012353766,12975.815888703,2998.66317331626,4669.5644758575,7608.09866185036,3024.25460128178,1632.22170089817,11848.9728264308,3986.56052264081,-1.57154552210106,0.00387084896106687,0.0133495045511582,0.0261634833255362]
["NEG04748","Forchlorfenuron",252.173,246.040315772238,15469.0898238488,6997.87048821987,7534.47265954047,21278.1718769232,18546.3842312426,36901.3491547183,101642.805471721,135516.12312656,146061.271192996,102114.474823996,13965.197815955,104447.204753998,2.90286596856412,0.00155856417092604,0.00608878092760078,0.0909444649737429]
["NEG06485","Fonofos",28.1618,245.025595013241,243175.523846374,183595.131429857,230485.993354067,277082.845805425,243342.603373668,543704.967720419,639030.914101192,616471.576454466,576219.937736127,710249.146125472,235536.419561878,617135.308427535,1.38963668624375,{"v":2.3789498753481e-06,"d":"2.38E-06"},{"v":4.10851073066874e-05,"d":"4.11E-05"},0.19898706412765]
["NEG05026","Fluvastatin",192.3475,410.180761456629,0,0,0,0,0,250095.060447508,518835.599847196,794916.605854976,828564.605530023,713009.443637009,1,621084.263063342,19.2444294879015,0.000407892274552668,0.00198531245274655,0.244475696447306]
["NEG03390","Flurprimidol",438.077,311.101889956657,2366.72205171289,1600.44100592397,2400.31784938923,0,776.491961535745,297624.65655109,444583.859176004,613929.729437043,486750.372148031,537869.948744977,1428.79457371237,476151.713211429,8.38047900685626,{"v":1.86934103211191e-05,"d":"1.87E-05"},0.00017064413135993,0.219879933372]
["NEG05605","Fluorodifen",45.1385,327.023388872586,166542.305147957,246636.000273012,175048.49940577,96079.5519165017,149888.346088567,0,49735.424216575,62479.066486053,44610.5243088262,44489.5591767985,166838.940566362,40262.9148376505,-2.05093253099928,0.00137441351346737,0.00546952993393198,0.10730608753045]
["POS05455","Fluenetil",31.9269,259.112478558147,192015606.952203,193344818.487044,183194343.475509,182824769.608894,161596037.83789,64912214.8575629,77641298.5062643,80251018.1942452,74733225.8772588,82204604.8198237,182595115.272308,75948472.451031,-1.26555531805274,{"v":1.78546152345033e-07,"d":"1.79E-07"},{"v":8.3191347858264e-06,"d":"8.32E-06"},3.33878951602985]
["POS06967","Fludrocortisone",567.098,381.21133095011,24501.8991475019,68731.134375158,0,53920.7461906098,26434.0480346192,242257.682281217,285075.395448021,461574.225680075,253789.776447246,443743.578863493,34717.5655495778,337288.13174401,3.2802438623261,0.000274051692290918,0.00142208030118013,0.172211071109858]
["NEG05042","Flindersiachromone",192.257,249.087701446338,9888.55275464235,9825.51470866421,7164.45400258163,22049.9283988964,11276.7252303809,1641385.82095532,1517332.52733638,1820324.06949357,1802905.28004538,2051120.83686864,12041.0350190331,1766613.70693986,7.19688339201957,{"v":5.11430027178392e-08,"d":"5.11E-08"},{"v":4.31627643692254e-06,"d":"4.32E-06"},0.430564021030001]
["NEG04770","Flavonol 3-O-D-xylosylglucoside",245.913,531.155006867799,0,0,822.691774493686,0,0,81428.5596931138,76586.8388596324,178315.826746812,58307.6612980761,127750.523206232,164.538354898737,104477.881960773,9.31055791554569,0.0013509278410347,0.00538565083150463,0.0983952522283332]
["NEG05939","Flavonol 3-O-D-galactoside",34.69,399.113977061176,1657749.39184223,3571932.09775406,2893508.5961314,1905482.27646972,2922692.76301916,169154.925352268,252220.93680519,196074.127696736,266440.872663582,157452.052056514,2590273.02504331,208268.582914858,-3.63658703974746,0.000149863947583145,0.000870573295505726,0.485586386563942]
["NEG01913","Flavanone 7-O-beta-D-glucoside",543.522,401.130475222821,1787895804.43595,1836342114.14414,1757084029.44757,1825108312.53222,1712249109.44781,111004021.352819,149964298.961305,179120850.415332,166975911.774132,158842139.156972,1783735874.00154,153181444.332112,-3.54158855278474,{"v":3.97503058238664e-12,"d":"3.98E-12"},{"v":5.92677059833848e-09,"d":"5.93E-09"},13.1401244820286]
["NEG06643","Fezaflor",25.66,372.984282329454,1232406.94274198,2148469.61218624,1786614.49230128,1882750.79843274,1883812.41233307,37713.3343752821,84143.999722556,137441.632491565,109686.158281348,111575.434559466,1786810.85159906,96112.1118860434,-4.2165248628334,{"v":3.82624596188583e-06,"d":"3.83E-06"},{"v":5.60631123256579e-05,"d":"5.61E-05"},0.419238102613399]
["NEG04873","Feruloylputrescine",214.8295,263.139796598777,3830.04993007321,4467.65424357144,1568.3653753669,4223.9777984271,839.153049294612,5467.53372687593,15334.1076903528,14590.0788450069,11372.6722978419,10348.5673108241,2985.84007934665,11422.5919741803,1.9356812567439,0.00223937200019979,0.00833337018044397,0.0272952595173998]
["NEG05435","Fenugreekine",115.634,662.101735759871,760803.605946146,557714.767154458,575621.404108582,670296.720911334,452339.612854401,141321.350777054,248122.353892687,333351.763083249,265435.485826563,288480.446428854,603355.222194984,255342.280001681,-1.24057518994811,0.000468813157823746,0.0022190489470324,0.180654744536329]
["POS06730","Fentrazamide",193.3395,350.136733533328,0,0,0,0,0,252231.995724069,543345.930498335,646440.305412712,392237.68238051,513017.867689886,1,469454.756341102,18.8406265994137,0.000121047105609161,0.000733663554728693,0.214885894066666]
["NEG06198","Fenothiocarb sulfoxide",31.60605,268.103459482735,1462405.18888801,1216869.23162747,1145343.15674394,920310.108559119,1332069.5228305,19686883.3828219,35067953.5380627,40851537.4613179,35660898.1247547,36751747.6510389,1215399.44172981,33603804.0315992,4.78912211936969,{"v":1.95080529653435e-05,"d":"1.95E-05"},0.000175926453455608,1.81309687032381]
["NEG06057","Fenoprofen",32.4557,241.091423573977,3028160.17039981,3845643.87845578,4332977.09276501,3279568.86296726,3708525.51124715,1292201.71543448,1019221.1027385,1337647.80569757,1187956.50287176,1571747.33861373,3638975.103167,1281754.89307121,-1.50541177550166,{"v":1.11760190221859e-05,"d":"1.12E-05"},0.00012016906991884,0.492644909540529]
["NEG04506","Fenofibrate",301.523,359.103578122863,1390.79867559361,0,0,0,0,36551.6382877463,49330.9828242585,79665.2894671545,62557.9535978264,56881.9334455229,278.159735118722,56997.5595245017,7.67884273986928,{"v":4.65092122259396e-05,"d":"4.65E-05"},0.000337392809295797,0.0754818615303911]
["POS06247","Femiphos",37.3921,304.112988660982,2156062.28628288,1999345.37459015,2164780.07960926,1675133.94686068,3382568.91860283,3629080.85634862,3901211.19899891,5151472.83990201,6341386.46122071,5602164.99831418,2275578.12118916,4925063.27095689,1.11390914334886,0.00200145823669535,0.00755487147066522,0.496038888786269]
["NEG04106","fcillin sodium",380.01,435.101700715058,462331.559463846,471027.951042399,647829.628148515,428757.297608476,489595.010908575,1181936.68489895,1380685.14052155,3236042.18747923,4793668.10619712,4131193.88974565,499908.289434362,2944705.2017685,2.55838785625356,0.00971206901250142,0.0291166787486051,0.451665347063474]
["POS04073","Fasoracetam",406.905,197.124397768931,382829.378273648,534932.871343718,426080.022559849,335075.548879847,376539.362800765,15110295.244354,19501404.5907267,18680811.9722767,18635309.1085511,17482636.6871907,411091.436771565,17882091.5206198,5.44291235609659,{"v":1.42729233548403e-08,"d":"1.43E-08"},{"v":1.93462988382426e-06,"d":"1.93E-06"},1.35367702318142]
["NEG01850","FAHFA(18:0/10-O-18:0)",547.667,565.510428828188,520971.819859345,641499.078671796,636020.700243235,561407.617654502,600518.00940755,2025404.44090637,2493916.7677337,3252436.32815402,2676718.63617904,3192312.95460741,592083.445167286,2728157.82551611,2.20405468627691,{"v":1.44012020766979e-05,"d":"1.44E-05"},0.000142514550639534,0.467429153562302]
["POS05258","Fagaramide",175.004,248.131307868768,0,0,0,0,3926.586264714,28352.9400803194,173518.075681307,89655.1623173651,156907.971817155,80728.0704755654,785.3172529428,105832.444074342,7.07429066102332,0.00419658318107157,0.0142747654516602,0.0942508393926774]
["NEG06491","Exserohilone",28.08555,449.082337529928,64542.55421003,93751.4208913214,57508.5902965357,20009.4894271717,84707.5726188506,81739.8801237475,189633.270999656,206207.095115352,224365.75293363,242245.403202812,64103.9254887819,188838.28047504,1.55866664120818,0.00379834255580269,0.0131603301720414,0.105507141054629]
["NEG04931","EXP 3174",200.071,435.134055794202,0,0,0,0,0,46828.222790471,93300.8281091611,113346.633578656,90186.2496259754,96204.7008836356,1,87973.3269975798,16.4247785528296,{"v":4.49301323647306e-05,"d":"4.49E-05"},0.000327316746038176,0.0939181684809869]
["NEG05151","Eupachlorin",182.2765,411.126775665398,42131.2673896253,49351.7724720812,43558.1267436939,45918.0722200147,40235.2107962478,2882.2976723561,1137.28614205296,2757.82072352994,0,3805.71103762872,44238.8899243326,2116.62311511354,-4.38547887308643,{"v":8.26319774684398e-09,"d":"8.26E-09"},{"v":1.53672879690602e-06,"d":"1.54E-06"},0.066697279122151]
["POS05985","Etodolac",450.344,288.15927719277,134492.011431868,333275.711101663,162505.712773386,129521.543320173,212971.612502709,787970.146729415,1271863.00812649,1394013.85849722,1175970.0945742,1058048.78610018,194553.31822596,1137573.1788055,2.54772186356842,{"v":2.65599884703316e-05,"d":"2.66E-05"},0.000219598573803684,0.307527492995993]
["NEG01247","Ethylene glycol distearate",598.9245,593.551236443183,36696.6366070934,40403.5477044403,25456.5898246058,32103.1284349106,16028.2118986095,364545.628470941,561151.344538331,555574.472366043,751193.217059475,487758.223583423,30137.6228939319,544044.577203643,4.17408733203961,{"v":3.74626252615207e-05,"d":"3.75E-05"},0.000285956182243655,0.226415680033288]
["NEG06086","Estazolam",32.37685,293.062958824117,0,0,0,0,0,297142.23255141,976978.582137736,813118.536885003,490420.901887377,797365.947689667,1,675005.240230239,19.3645391766371,0.000578966712580748,0.0026291554369276,0.251998498688521]
["NEG02141","Erythromycin B",531.4875,716.460265927213,1566636.1371988,2668782.15311829,2043623.85968762,1755351.13004107,1850986.4779897,95852.9533938057,216518.394754762,201128.02803947,163877.799212387,165432.291878388,1977075.9516071,168561.893455763,-3.55201796462716,{"v":1.24494802885571e-05,"d":"1.24E-05"},0.000129131103691154,0.431150327694326]
["NEG01834","Erythrinasinate A",548.0745,585.486120347877,5417512.44059905,5646521.31262803,5527473.37681246,6021678.09104864,5126981.19888952,12974370.1176532,10392982.4320175,11908103.8084701,10590416.2298159,12856005.4086832,5548033.28399554,11744375.599328,1.08192166528575,{"v":4.18812929477358e-06,"d":"4.19E-06"},{"v":5.98514451614129e-05,"d":"5.99E-05"},0.799254175530243]
["NEG05887","Epoxicozole",35.2401,328.058123204853,599223.969956377,701832.490815122,740743.515841999,427806.020807666,1011733.00756715,3494767.08426067,6311167.4299734,6715150.26446748,5685766.47704,6648174.43320006,696267.800997663,5771005.13778832,3.05110840298287,{"v":3.10610410227345e-05,"d":"3.11E-05"},0.000246340490238814,0.716217323353648]
["POS07480","Epothilone D",413.342,492.272818173518,256656.001704327,239182.235360623,153354.910076014,146772.180975212,179367.604907833,0,0,0,14392.1585146888,15789.9210346304,195066.586604802,6036.41590986384,-5.01413065522919,{"v":3.29892609160778e-05,"d":"3.30E-05"},0.000257523497517655,0.135882684779866]
["NEG04538","Ephedroxane",293.224,190.086356461742,3557.44883069742,13285.061129964,10445.7577782514,9333.77917985441,8578.45652073371,46219.1969812734,65540.2124855552,83087.4496998228,69242.2186017864,52425.5841903907,9040.10068790019,63302.9323917657,2.80786158493084,{"v":3.90793496373571e-05,"d":"3.91E-05"},0.000297282195455609,0.0733033859412163]
["NEG02663","Enniatin B",512.887,638.412239698217,47367.9516336303,25956.176079506,54895.0035224317,48215.0696927585,33158.3155590291,6239.93760687106,13963.4654908676,18932.7242254137,18750.7490598933,0,41918.5032974711,11577.3752766091,-1.8562789913561,0.00159572746513099,0.00620934439022924,0.0532925021414936]
["NEG04841","Encecalin",222.5215,231.104198834135,20139.4567318968,18844.1458987461,18344.7158991457,19887.0400809894,19700.4516417797,29844.559296515,53967.6492492172,38792.0069051836,50131.6390967925,50334.4553932149,19383.1620505115,44614.0619881846,1.20269456512705,0.000506121163164981,0.00236807527493406,0.0489050041548092]
["NEG05917","Ecozole nitrate",34.79315,442.009011212456,0,0,0,0,22847.0758600663,150647.75975393,679109.324745823,706379.235317375,589829.118587907,521310.915974824,4569.41517201326,529455.270875972,6.85635546806054,0.000791341700380066,0.00341337649546773,0.221013164649735]
["NEG06052","Echothiophate",32.61315,255.107015105872,1906752.18119699,2970831.26547373,2664655.93734479,2749067.61406432,3065997.54438026,6897006.21918058,9151491.87532944,9304011.85318861,9184160.20960068,8286371.38103463,2671460.90849202,8564608.30766679,1.68075836150191,{"v":2.40153110338997e-06,"d":"2.40E-06"},{"v":4.13155716363974e-05,"d":"4.13E-05"},0.776896344559031]
["NEG04317","Eburicoic acid",341.175,469.364326207452,38016.8337041206,75373.489216209,59378.434644414,61023.9563324083,131637.122314669,154168.602586157,140656.166448027,204788.496465627,103421.594996427,168222.614676915,73085.9672423642,154251.495034631,1.07761813685647,0.00762066946915382,0.0236061319498096,0.0830838530352067]
["POS06202","E3040",176.99,300.118760590698,725040.398827927,681682.901020566,652093.277409632,877140.35691949,753313.057138931,315552.532196961,310581.06852605,399735.096878194,306464.751380419,277467.123715636,737853.998263309,321960.114539452,-1.19645339975981,{"v":1.29473399489627e-05,"d":"1.29E-05"},0.000132525060850595,0.2052859711585]
["NEG05831","Dynemicin A",36.589,536.112150467684,0,0,0,27722.7826238562,0,530081.580727397,753090.986825649,782998.340902854,719066.144299621,856250.373992568,5544.55652477124,728297.485349618,7.03731198099172,{"v":1.03430664752489e-06,"d":"1.03E-06"},{"v":2.42222703370621e-05,"d":"2.42E-05"},0.274275618382068]
["POS05751","Dubinidine",414.399,276.126297435387,1400833.48870935,1379464.75960216,1402581.17318375,1187922.62889971,1310602.8759375,342900.072201695,424002.842565704,1042614.17609634,796384.314126494,575465.939515491,1336280.98526649,636273.468901145,-1.0705045301108,0.000795566281434921,0.00342829284861118,0.25398553285365]
["POS07751","dTDP-4-acetamido-4,6-dideoxy-D-glucose",35.05335,590.127581721623,472135.040015105,500520.866687614,427844.546303688,349867.505542999,492558.925983026,0,122528.882161103,22745.596004583,39743.8398379287,26934.2963928991,448585.376906486,42390.5228793028,-3.40356892487899,{"v":2.6431148333987e-06,"d":"2.64E-06"},{"v":4.28356980064942e-05,"d":"4.28E-05"},0.203768131760399]
["NEG04242","Drotaverine",360.945,396.215317462481,411432.198702958,413318.231588337,552491.789477034,458710.619500399,428864.614001958,57109.2223829435,68327.2993869059,92476.2368344802,94983.5966394635,79899.6122632816,452963.490654137,78559.1935014149,-2.5275427482292,{"v":7.58493244166822e-07,"d":"7.58E-07"},{"v":2.01948826259416e-05,"d":"2.02E-05"},0.198691542521019]
["NEG06543","D-Ribose 5-phosphate",27.5801,229.011170328849,3120705.15301161,3540000.27073839,2735320.38539292,3176614.8634706,3105283.33336046,964685.522458173,1215197.37152267,1159499.69503836,908927.785194245,1116532.73008461,3135584.8011948,1072968.62085961,-1.54712665261574,{"v":4.55417928286003e-07,"d":"4.55E-07"},{"v":1.47614811103137e-05,"d":"1.48E-05"},0.461780532253456]
["POS07471","Dracorubin",35.0008,489.169730667028,277724.669817129,540415.178793415,392818.075056456,420266.692216452,243779.955046872,0,0,0,0,0,375000.914186065,1,-18.5165345870856,0.000106000410738675,0.000663801208965077,0.194679431489216]
["NEG04776","D-Phe-Pro-Arg-CH2Cl",245.362,449.203947049746,0,876.823782044248,3003.25674247428,0,0,43018.0184765591,33229.4766879187,16013.2287822909,21663.5722165781,24793.7648823294,776.016104903706,27743.6122091352,5.15992523466059,0.0004738970589721,0.00224074159067886,0.0501245880709665]
["NEG06530","D-myo-Inositol 1,2-cyclic phosphate",27.8073,241.011368138742,806089.805732275,902639.49703256,766340.083589184,988623.492283327,715760.775654872,39589.5180152642,47973.504891039,75831.3223767405,45176.3577847218,53710.0775406793,835890.730858444,52456.156121689,-3.99413036404924,{"v":2.48443063489733e-07,"d":"2.48E-07"},{"v":9.9221948481212e-06,"d":"9.92E-06"},0.286708952700118]
["POS05651","D-Lombricine",34.85935,271.080313345716,1740016.93068657,2407546.76913881,2051426.08921164,2009629.88467234,1478832.81817721,398028.10770273,881263.026152749,304808.487203087,463418.416106261,389850.774532654,1937490.49837731,487473.762339496,-1.99079276047833,{"v":5.34321778729945e-05,"d":"5.34E-05"},0.000374611491576653,0.385480609239721]
["NEG02111","Divinylchlorophyll a",533.097,889.506747030062,2181574.99386482,2235846.14625967,2052615.83204689,2305019.24819391,2224537.38849924,623342.949230579,823224.104438321,1015183.20564297,734383.649661454,773824.942000738,2199918.72177291,793991.770194812,-1.47025426402588,{"v":8.12258753729366e-08,"d":"8.12E-08"},{"v":5.58912722788572e-06,"d":"5.59E-06"},0.382956507597073]
["POS07420","Diterpenoid EF-D",412.526,475.261028317763,381111.980331023,451853.491930405,301171.599548658,320647.763355742,360547.948706458,30859.1187971579,33136.3501895414,59615.6394326537,52102.4806371625,78771.550105837,363066.556774457,50897.0278324705,-2.83458072830112,{"v":3.51539831420536e-06,"d":"3.52E-06"},{"v":5.31228941197317e-05,"d":"5.31E-05"},0.17761519651268]
["POS05966","Disul",25.0059,286.957354905135,373282.967806535,374404.039507435,274773.669389745,838265.363117551,175222.996772515,875514.433126553,1318385.47238325,1469712.85344715,1939586.08398509,961161.760416889,407189.807318756,1312872.12067179,1.68895304467237,0.00359787631665766,0.0125239694664667,0.277467598143539]
["POS05616","Disperse Blue 1",299.411,269.106235981805,9021747.5132655,19746513.5882697,5652975.26541588,14095625.1836855,9786237.14420511,5993514.66468001,3340280.02503125,3139316.87841648,2580446.91962096,2085629.86046311,11660619.7389683,3427837.66964236,-1.7662737717669,0.0114218807956498,0.033567721944114,0.814047626151608]
["POS07758","Discodermolide",32.2023,594.39795716654,860269.645668868,543766.202938293,429484.397052622,756545.363658376,932844.272056275,3321071.13093142,2988325.77481315,2739177.93816925,2736870.59349328,2801525.15191123,704581.976274887,2917394.11786367,2.04984082136475,{"v":3.5566738627036e-07,"d":"3.56E-07"},{"v":1.26261922125978e-05,"d":"1.26E-05"},0.481870013887562]
["NEG03890","Diprenorphine",405.7555,424.246917590139,151210.596981539,120304.317092996,101194.039122131,136680.770550342,103439.072839409,28037.0273585187,41202.2236583672,41903.2800869011,25804.3299788713,21930.1302509622,122565.759317283,31775.3982667241,-1.94757388272819,{"v":2.405573231634e-05,"d":"2.41E-05"},0.000204016799496543,0.095206696319997]
["NEG05905","Diphyllin",35.0277,379.082142092419,13066364.4292632,14286309.4676245,13844219.7692539,13891170.7803045,16639116.6968326,3816319.17545795,3650975.99414595,4244568.658359,3903036.95663913,3962648.63732499,14345436.2286557,3915509.8843854,-1.87331974443973,{"v":1.47057014085266e-07,"d":"1.47E-07"},{"v":7.30873360003774e-06,"d":"7.31E-06"},1.0408010728169]
["POS05393","Diphenhydramine",202.115,256.174531512871,141740.80363955,87007.9927501117,127322.432376155,184235.086558386,126161.97113739,14758.4851185433,23407.1851241939,23370.7445513704,22002.8308349097,6787.8180895085,133293.657292319,18065.4127437052,-2.88330601041482,{"v":9.13791661193697e-05,"d":"9.14E-05"},0.000588113683527972,0.106964980292505]
["NEG06169","Dinitramine",31.906,321.079910963338,4960912.44683691,7194584.28538314,8607098.1529799,5783311.63408683,7651927.86399891,10527462.7809565,13603304.7898543,14328029.5550228,16664156.8367721,13468731.0007048,6839566.87665714,13718336.9926621,1.00412872838659,0.000392451911939337,0.00191972639674663,0.803659500880359]
["NEG05811","Dimethomorph",36.6985,386.113713142273,0,4755.47919288035,6317.17615283931,0,0,272803.035331379,398794.608671325,541991.803950094,357276.180442111,466713.423699564,2214.53106914393,407515.810418895,7.52371098463983,{"v":2.17573742541161e-05,"d":"2.18E-05"},0.000190659105184117,0.202873331869163]
["POS06642","Dimethisterone",439.264,341.242170040874,24277.8399967925,19254.198800115,111670.802913604,31433.8738472142,104602.430599169,1038652.72789893,862561.462238288,680281.316742249,251175.328880102,171613.237885849,58247.8292313789,600856.814729084,3.36674504523661,0.0129484967895958,0.037173314969529,0.203297764033855]
["POS04459","Dimethipin",27.38135,211.006437704226,16846.0379010036,18024.8283351151,19959.0479694204,12199.4071732605,34339.4058132948,115927.732980679,174417.623325084,135693.838177262,172692.387848814,154331.191056121,20273.7454384189,150612.554677592,2.893157487626,{"v":3.96012458758143e-06,"d":"3.96E-06"},{"v":5.73256869911059e-05,"d":"5.73E-05"},0.115689460157293]
["POS04479","DIMBOA",88.6599,212.052265819767,530522.926456496,442385.369075518,577600.294143525,603823.039556889,559408.517390833,72012.3646153664,139408.295066707,105098.191310214,133423.412444707,156432.949758562,542748.029324652,121275.042639111,-2.16199989576767,{"v":9.31564815014553e-07,"d":"9.32E-07"},{"v":2.27613317409366e-05,"d":"2.28E-05"},0.20932285249411]
["POS05721","Dikegulac",412.531,275.11439338023,1110447.6916909,1337726.39390515,1243768.59015762,1796426.2725598,1015047.59542758,196473.463789142,707792.048730969,319012.995657935,427535.350058906,868051.941592762,1300683.30874821,503773.159965943,-1.36842357114388,0.00250561669310471,0.00916404208361191,0.268716093779603]
["NEG04138","Dihydroergotamine",374.5965,582.269702144171,54030.3601515774,54776.4828674825,51819.8914108297,61574.4768929004,50534.2382099369,0,22497.843306538,26314.6866515748,17253.3446096237,25381.3403665041,54547.0899065454,18289.4429868481,-1.57649109282321,0.000116086270479883,0.000711306695693856,0.059597102146105]
["NEG05857","Dihydroclavaminic acid",36.3548,199.071437535286,4347569.37133885,6218292.95384763,5822494.22655158,3054893.5153362,5135692.19787484,164742.32741801,107292.329350299,155276.436218829,128805.708223646,157678.664404162,4915788.45298982,142759.093122989,-5.10576828490102,{"v":2.89534297349764e-05,"d":"2.90E-05"},0.000233543393740826,0.69406467325976]
["NEG02708","Dihydroceramide",511.166,328.293669648422,57691.1799393692,106572.64612932,57998.580641939,62010.2022090637,67215.6193856828,470487.309975859,874380.669548855,977094.718521449,1038969.68174303,821742.37323861,70297.6456610749,836534.950605561,3.57287753971383,{"v":5.74711737192449e-05,"d":"5.75E-05"},0.00039671074081201,0.276068868730467]
["POS03527","Dihomomethionine",238.705,178.085629658974,9924.71587387258,4714.29382757857,9915.58717105921,4354.79896797875,26600.5631946251,671839.472779543,912402.213477879,869970.053705391,802752.530492253,1012314.44305939,11101.9918070228,853855.742702891,6.26510191120691,{"v":4.28035664317634e-07,"d":"4.28E-07"},{"v":1.43794674748864e-05,"d":"1.44E-05"},0.296941132997108]
["POS06888","Digalacturote",35.40775,371.082352199514,787019.291342862,2207861.50475194,1100421.05925609,1555678.34464824,633971.745648613,3590264.40482833,7037315.41584018,4038383.67490208,5028191.06045322,3288849.04047156,1256990.38912955,4596600.71929907,1.87059373379667,0.00189015853045618,0.00718324478056965,0.537005342325845]
["NEG03822","Difenpiramide",409.3555,287.11873869848,0,0,5148.65076092689,10650.2420696727,0,19549.8213003754,89331.8932324036,140156.232481659,86483.5606832609,72696.9855119385,3159.77856611992,81643.6986419275,4.69144617661702,0.00371356927592081,0.012896580257138,0.082344392143108]
["NEG05199","Difenocozole",175.528,404.056742420296,19254749.6859248,21237959.8320411,20253492.1377802,34789497.417017,502008.159159335,3955932.00969303,127339.23002719,208719.713162855,2408138.4743403,71942.3200349387,19207541.4463845,1354414.34945166,-3.82593179844532,0.0120205594926102,0.0351654431722992,1.22524823732872]
["POS04342","Diethylpropion",37.0086,206.151193964654,2768055.13928394,2544705.6946313,2600164.5834776,2597899.69135929,2709735.33513775,606542.901077371,871306.027818686,777980.335912319,961303.300198668,851222.439186681,2644112.08877798,813671.000838745,-1.70026585743437,{"v":6.29170500600287e-09,"d":"6.29E-09"},{"v":1.53672879690602e-06,"d":"1.54E-06"},0.437645859209527]
["NEG05713","Diethyl tartrate",37.657,205.070832703135,1268957.85759172,1772902.63526532,1198994.34314761,1091451.03285741,1378134.08500782,259322.132151124,370131.217476987,424873.372041428,327538.452734969,229926.662075278,1342087.99077398,322358.367295957,-2.05774192506857,{"v":3.3067408284322e-05,"d":"3.31E-05"},0.000257683827971729,0.319102061771383]
["NEG05976","Dicrotophos",34.40535,236.064721002983,0,0,0,0,0,280392.018483514,457001.324569794,513130.878192924,402750.876034235,366583.419816852,1,403971.703419464,18.6238947160126,{"v":7.34463185265361e-06,"d":"7.34E-06"},{"v":8.74232085972645e-05,"d":"8.74E-05"},0.202724628684635]
["POS06566","Dichlofluanid",37.32685,332.965830365769,1255657.83252877,1569588.9032809,1194758.78460195,480451.697233964,1639410.72411028,3679138.17723392,4134191.11232494,3465762.12103036,4190335.64003329,3306938.02142627,1227973.58835117,3755273.01440976,1.61263826671538,{"v":1.43038529120741e-05,"d":"1.43E-05"},0.000142210785836917,0.506589155431658]
["POS04915","Diazoxide",291.112,230.99676689221,0,0,0,0,0,53970.8780176155,51800.3992798795,57848.8747557701,27077.3742622801,55134.35317143,1,49166.375897395,15.5853843961367,{"v":2.24537961352253e-05,"d":"2.25E-05"},0.000194459239020514,0.0705188035266231]
["NEG06496","Di-2-propenyl tetrasulfide",28.0768,208.961131757543,1336045.753618,1426163.4745447,1140669.31779396,1161102.26416631,1328023.88029431,336701.899591059,410605.961860342,654505.939852039,530844.940549729,562297.838270646,1278400.93808346,498991.316024763,-1.35725375843352,{"v":9.07845129571696e-06,"d":"9.08E-06"},0.000102029931270708,0.278752050995718]
["NEG05783","DH",36.9337,664.111074872386,639445.490009488,723786.774592731,328116.795776537,591944.927466051,277002.648221968,16647.2950823976,80351.9882407196,46658.1016521848,64287.5227084238,66931.6623311631,512059.327213355,54975.3140029778,-3.21945512614183,0.000898920756809424,0.0038004466400837,0.205220629860947]
["NEG06486","D-Glucosamine 6-phosphate",28.1618,258.037930441686,215201.067947577,491261.636400116,396186.051509795,104403.194858617,230107.892818017,789518.855795675,1105170.87132988,1309823.30271094,1158063.48965052,1483882.55952171,287431.968706824,1169291.81580175,2.02434258783023,0.000178518719524995,0.00100315858346143,0.293835594994262]
["NEG06565","D-Glucono-1,5-lactone 6-phosphate",27.2704,257.006308270952,213595.565353949,465801.003669706,214365.618342918,374606.251574878,210907.991729264,22596.0219491185,49554.6935809466,9904.94803333202,36700.7678402538,22391.2877832446,295855.286134143,28229.5438373791,-3.38961395087163,0.00101513452642526,0.0042199783798329,0.158813650393945]
["NEG01225","DG(22:4(7Z,10Z,13Z,16Z)/24:0/0:0)",600,755.641131506909,40628.764147516296,19025.0811988616,11095.9155428825,17065.8885179486,12985.5993690452,252652.014352808,308473.093111077,347973.866841171,410273.420654819,280054.020150484,20160.2497552508,319885.283022072,3.98796920295031,{"v":5.19271825112603e-06,"d":"5.19E-06"},{"v":6.85163089595478e-05,"d":"6.85E-05"},0.175277195983877]
["NEG01864","DG(18:2n6/0:0/22:2n6)",547.521,685.562711012447,370229.226047799,430527.295411573,239153.68389138,372540.093612467,481854.27997582,706933.099449217,782227.770273621,945647.274440888,655983.010282111,709295.738624177,378860.915787808,760017.378614003,1.00436409210687,0.000370527688996173,0.00182731020163162,0.192708075209655]
["NEG01027","DG(10:0/0:0/13:0)",650.0155,441.358155263815,0,2522.38213619304,3500.69901231453,0,3403.61137763631,2911.0654308881,64643.7197642691,81358.4238963896,78487.9907433652,74456.3010431939,1885.33850522878,60371.5001756212,5.00097216905389,0.00401096546464737,0.0137268925197917,0.0714224516910518]
["POS05490","D-Fructose 6-phosphate",180.859,261.036945222677,4948.26920713037,3640.12027868005,8897.6927771254,14089.5840472024,5516.89035511603,11932.1023766164,174631.061197106,315445.084060363,95727.5285644487,200202.673453878,7418.51133305085,159587.689930482,4.42707584948835,0.0175764755937577,0.0480266190170301,0.108822107851895]
["NEG05771","Dezocine",37.02185,244.16608852716,0,0,0,0,0,102649.023036244,247487.395422578,319047.467098763,272317.67401576,214637.943949715,1,231227.900704612,17.8189559630176,0.000219294380641393,0.00118323735175989,0.149580930468852]
["POS07129","Devazepide",29.08095,409.166983833835,0,0,0,0,0,703105.663973392,1178515.48920544,935693.695178555,968403.484872513,785423.273242565,1,914228.321294493,19.8021949863981,{"v":3.73964745766112e-06,"d":"3.74E-06"},{"v":5.56119996235316e-05,"d":"5.56E-05"},0.304883942818547]
["NEG06181","desmethyladinazolam",31.8514,322.083365166804,416536.801574577,471872.19276497,930464.636164537,480116.561774364,643692.288847906,867789.502637504,1142770.57026026,1293717.22496765,1767342.45937325,1279698.03144638,588536.496225271,1270263.55773701,1.10992407503479,0.00433778065315228,0.0146991612587501,0.239790693754249]
["NEG02752","Descladinose roxithromycin",506.622,677.422923281491,73620.2711491057,40363.5140089964,101708.623387075,69447.4249010014,59490.5227497344,0,2039.95783091106,6541.71956567451,2085.31570010426,0,68926.0712391826,2133.39861933797,-5.01382432521303,0.000164337559073873,0.00093521870450055,0.0815035756180953]
["POS07158","Desacetylcefotaxime",35.5025,414.044146487871,2539544.88345729,3454051.88657069,3315421.62605722,3704175.6244655,6115954.7255788,12699935.3511031,10991006.3688359,9832928.25928321,9609667.03612104,9750219.9432349,3825829.7492259,10576751.3917156,1.46705199750025,{"v":4.28107827553779e-05,"d":"4.28E-05"},0.000318013234531423,0.8212096431389]
["POS05807","D-Erythroascorbic acid 1'-a-D-xylopyranoside",93.1927,279.073314342179,2863663.05577383,2893228.26008975,2350427.99733339,2264414.326176,2950574.74577633,3684073.95628854,7046749.62981001,7305640.23878194,7415824.49230194,6481468.3592128,2664461.67702986,6386751.33527905,1.26123819809624,0.000781480828405139,0.00337735627580308,0.59208400227006]
["NEG05194","Dephospho-CoA",176.7745,686.141227489268,3468423.57192407,3977260.17245189,3365903.39170867,2918526.20755736,3995852.07874393,703397.509855864,1429435.92249622,2096974.18167795,1480109.08815781,1528969.45572755,3545193.08447718,1447777.23158308,-1.29202457109951,0.000114508271194539,0.000704533008326234,0.449651865920267]
["NEG04835","Deoxyviolaceinic acid",223.467,356.103267835675,294399.162293981,236498.509507495,232441.384837842,255070.704999715,221263.660752676,730802.931956529,1337804.82865614,1512107.00803844,1282496.24191703,1249262.17830212,247934.684478342,1222494.63777405,2.30179612262624,{"v":7.59294378378844e-05,"d":"7.59E-05"},0.000501672637295209,0.311001705532683]
["POS06513","Deoxyviolacein",89.7428,328.111291328995,0,0,0,0,0,1047819.16015927,1136417.67052127,1442033.51233358,1226799.11381188,1194395.32741578,1,1209492.95684836,20.2059709375262,{"v":7.71825630516867e-08,"d":"7.72E-08"},{"v":5.53790825866423e-06,"d":"5.54E-06"},0.356237407308384]
["NEG00169","Deoxyribose",706.101,133.049174153183,44117700.5894259,44723490.6942588,35873240.4949021,39209966.8932948,34681411.1182837,8527929.71874716,12783676.0494942,15084938.701913,14811754.540839,13872679.593445,39721161.9580331,13016195.7208877,-1.60959997676849,{"v":3.5666591315568e-06,"d":"3.57E-06"},{"v":5.37160481328403e-05,"d":"5.37E-05"},1.64902221778306]
["NEG05867","Deoxyloganin tetraacetate",36.0711,541.188247954085,821186.621804892,803697.382705095,765733.312165893,891049.48450473,619173.52645037,0,0,0,0,0,780168.065526196,1,-19.573425420441,{"v":1.26753367773841e-07,"d":"1.27E-07"},{"v":6.95519790355319e-06,"d":"6.96E-06"},0.286471824592958]
["POS03262","Demethylphosphinothricin",28.1891,168.041577158433,397655.782630261,431312.363072029,368391.807808682,373231.220855248,384866.881716502,73517.6273295623,25434.325569268,7533.84205330849,82828.6131656911,42524.8388124073,391091.611216544,46367.8493860474,-3.07630987217314,{"v":6.0137846261208e-08,"d":"6.01E-08"},{"v":4.86303104197569e-06,"d":"4.86E-06"},0.18969910870126]
["NEG05792","Demethylalangiside",36.8859,490.161027154059,10694.0291787716,0,0,0,4916.70996414874,82660.1830591905,192795.458328317,206697.2411979,165366.864421711,151623.147398522,3122.14782858407,159828.578881128,5.67784274062246,{"v":9.08174532272647e-05,"d":"9.08E-05"},0.000586185379921436,0.124356801621539]
["POS06839","delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine",191.8875,364.152343897299,4201.03214182594,0,0,0,0,131948.645678166,351947.354309261,419689.027050958,275321.080612626,302170.011891268,840.206428365188,296215.223908456,8.46168625031714,0.000267776524375876,0.00139274929480615,0.168745719257381]
["NEG03901","Delphinine",403.744,598.307715333442,1092699.31678222,1130783.85208359,1112550.05875421,1163684.57888709,1008628.4207742,401874.653449387,439501.50250163,587520.05963372,500637.327244759,495448.232907435,1101669.24545626,484996.355147386,-1.18364533779167,{"v":3.67529784206064e-07,"d":"3.68E-07"},{"v":1.27326968832694e-05,"d":"1.27E-05"},0.253965464555139]
["NEG03687","Delcosine",411.263,452.268426260809,977718.999555907,1114569.69263635,1132772.39379271,1285943.08066315,1017152.54014937,352913.000805452,308822.2977055,402843.693048668,318553.37166099,320934.463825006,1105631.3413595,340813.365409123,-1.69781659871107,{"v":8.30479823431695e-07,"d":"8.30E-07"},{"v":2.13490589092527e-05,"d":"2.13E-05"},0.283845287629242]
["NEG06022","Delavirdine mesylate",33.8777,551.165145421178,656394.630029885,649316.560189345,547705.391693703,650013.887833885,488419.279926679,0,0,0,0,0,598369.949934699,1,-19.190678199514,{"v":1.14163281442061e-07,"d":"1.14E-07"},{"v":6.80869810520454e-06,"d":"6.81E-06"},0.250160002736135]
["POS05809","Dehydroxymethylflazine",237.5215,279.07530100704,16574.8139930301,0,6897.28817094907,4795.26114210911,0,6016.69063422389,82759.6947805057,105406.329857216,64707.1165829498,99902.7041219096,5653.47266121766,71758.507195361,3.66594065359494,0.00660541780588873,0.0209101442645013,0.0750636151775089]
["POS05132","Dehydroisochalciporone",38.25395,242.157248047144,893196.978240197,581330.811017664,413263.138029402,462181.874610224,558803.015524163,21307.6447938366,27573.4639821707,48583.9909426613,15215.4341574283,22057.6257522082,581755.16348433,26947.631925661,-4.43218170652223,0.000167516282395587,0.000950888745121146,0.22795052554977]
["NEG06334","Dehydroascorbide(1-)",30.4567,172.000540574157,153881.385254976,160075.426590758,216730.943336583,164819.074788231,159165.029443025,1029047.16812651,885400.466300871,1084655.75940548,853497.315109417,1048733.69970694,170934.371882715,980266.881729844,2.51973205574903,{"v":1.50421435373793e-07,"d":"1.50E-07"},{"v":7.39379209260415e-06,"d":"7.39E-06"},0.291067215380126]
["POS04502","Danielone",28.9855,213.074095056972,1552564.06472167,2357804.01199085,2377149.19349376,1920904.01359128,1226174.8206723,48608151.366749,68077667.7903958,66662730.8266109,68514134.376909,59274120.7924419,1886919.22089397,62227361.0306213,5.04344449745583,{"v":2.47072886424539e-07,"d":"2.47E-07"},{"v":9.9221948481212e-06,"d":"9.92E-06"},2.5039028554103]
["NEG06051","D-Alanyl-D-serine",32.6359,175.071204042607,183769.081535823,271869.478505757,342697.215852098,265249.900148628,404470.728215944,1010698.02159941,1183728.96131273,1016989.2813605,605326.851955352,953846.850520196,293611.28085165,954117.993349638,1.70026029260208,0.000197794524291743,0.00109729922240048,0.251807399146362]
["NEG05434","D+",116.67,663.104817970397,1233252.51842878,1310186.28961213,1305459.46939266,1249971.134224,1128581.24671295,245702.940631071,578771.069925919,698826.425717649,532918.248503449,672125.35591265,1245490.1316741,545668.808138148,-1.19061610785145,{"v":4.29118626095294e-05,"d":"4.29E-05"},0.000318013234531423,0.264767815046209]
["NEG06183","Cytidine",31.8494,242.079142000777,5459488.32337632,4967557.69789313,4762279.76917881,6537222.45401666,4021697.25714407,1383903.82396534,1323616.93996832,1246994.57015638,1256261.75027829,1246050.58691355,5149649.1003218,1291365.53425638,-1.99557670160214,{"v":1.53384057905566e-05,"d":"1.53E-05"},0.000149131257810689,0.627896176773947]
["POS05274","Cysteinyl-Glutamate",84.028,250.060936503898,3879.22822193534,117354.462399662,555014.219646066,42816.5203440822,905099.601900637,7392247.69173783,11695324.4548381,13725786.2406394,15426513.4167024,11028719.2189979,324832.806502477,11853718.2045831,5.18949851105409,{"v":3.01574908541524e-05,"d":"3.02E-05"},0.000240453576810381,1.07591303577084]
["NEG05076","Cysteinyldopa",192.171,315.059707386267,90329.4007114084,205081.676993215,267504.24931142,44622.9326093174,363424.952127994,819270.597088801,2154724.7687329,2081890.8434832,1999936.01511878,1988104.15206825,194192.642350671,1808785.27529839,3.21946070727116,0.00023024005607373,0.00122895438045083,0.395445336910174]
["NEG03094","Cyclopassifloside VI",465.887,665.375288174283,1932.62136232642,1322.83060582384,1419.2966531422,0,1472.62750612958,0,16054.9766834618,20469.3328882634,23810.0629591646,12471.8931515071,1229.47522548441,14561.2531364794,3.56601994938028,0.012096412983609,0.0353180517465293,0.0326224000651266]
["NEG01139","Cyclopamine",624.657,410.314341278216,0,23181.7429204858,27068.4457880825,5407.39556770719,4428.49347848148,52133.7589303252,105321.640539917,129254.281360504,214641.439101315,102410.407105997,12017.2155509514,120752.305407612,3.32887617309852,0.00394098794492748,0.0135184348755066,0.0963820744757785]
["NEG05438","Cyclic ADP-ribose",114.6845,540.053299947037,1818252.1756737,1895671.45914156,1923367.56461983,1773119.44403141,1731543.01385745,506268.630299967,955592.562934686,1166471.0859797,949419.932183267,966111.791677745,1828390.73146479,908772.800615073,-1.008582849686,{"v":4.21143618768873e-05,"d":"4.21E-05"},0.000315012609824945,0.303629769879043]
["NEG05648","Cycasin",42.8745,251.087988680803,440653.864031543,513149.660194727,495950.027091923,414118.391281954,547888.557018231,3087.06855894658,1974.91440445689,1497.68296680761,950.911406405739,2848.25140069772,482352.099923676,2071.76574746291,-7.86308194887111,{"v":4.49553215585302e-08,"d":"4.50E-08"},{"v":4.1037786394144e-06,"d":"4.10E-06"},0.224147853577466]
["NEG03990","C-Toxiferine I",398.941,613.355232098017,20451.7320253497,38470.2699800918,41032.3496880535,26750.0580231234,38519.3014530885,1743.45498814763,0,1513.48701368301,1155.21148501602,0,33044.7422339414,882.430697369332,-5.2267939525643,{"v":4.4123481044844e-05,"d":"4.41E-05"},0.000323018544539422,0.0571779174637321]
["POS06775","Cristacarpin",29.57235,355.153395933843,19829.0855031068,19709.4523108054,23496.5769625011,0,54342.1738153047,2660236.86368752,2832534.88649653,5625267.75842263,5594033.524295,4901169.49182439,23475.4577183436,4322648.50494521,7.52461843095617,0.000179705604069909,0.00100856106274116,0.651103696431239]
["POS08066","Corynebactin",35.13125,883.254095182549,1036156.37971897,1652056.06392152,1289125.0773126,1414739.850282,735787.500378456,0,0,0,0,0,1225572.97432271,1,-20.2250249585139,{"v":5.37981635396456e-05,"d":"5.38E-05"},0.000376587144777519,0.353700202923405]
["NEG05190","Coptisine",177.334,319.089183041525,40230.5336380508,47190.4536938618,88967.2949861488,38223.4211167922,82383.5380577817,442570.722899461,354002.536846982,317787.218176216,201269.798655854,222077.804966783,59399.0482985271,307541.616309059,2.3722699268883,0.000608738590096264,0.00273932365543319,0.151277319401138]
["NEG04158","Convolvine",371.132,290.137944633696,0,0,0,0,0,1401.09057031748,2931.64502007759,5539.55680356934,3566.34316310489,4201.06227670464,1,3527.93956675479,11.7846101325502,0.000872768499372697,0.0037038837739033,0.0182275188892306]
["NEG05117","Compound VII",188.682,347.124458725438,1189.72267462114,0,908.124550655864,1108.18799002788,1009.56167896616,170882.142373161,95168.4086357463,117092.183697247,116773.950219673,101283.358621183,843.119378854209,120240.008709402,7.15596438400118,{"v":1.96276991915679e-05,"d":"1.96E-05"},0.000176649292724111,0.109692809486672]
["NEG03996","Compound III(S)",397.104,369.219615206944,36775.442885269,36731.6467163918,40638.3930468935,16217.2567970883,32880.6440746688,53588.7528577905,62163.4850464484,98095.4822824045,75911.3074456323,71382.0241218247,32648.6767040623,72228.2103508201,1.14553790561689,0.00182411881356937,0.00697443558161434,0.0600976727759016]
["NEG05794","Codeinone",36.8806,296.13474476274,215320.569619832,281934.588829567,276077.594533818,118599.584182622,332333.2537998,1721690.77631119,4872853.80800798,6555670.50827126,6677182.02795346,5650897.38048627,244853.118193128,5095658.90020603,4.37928023391228,0.000680429821011463,0.00301641485568313,0.676895129832139]
["NEG02151","Clidinium",531.2195,351.186013675538,3349211.24541897,2475546.38872842,4526285.76236551,3608092.7413357,2979800.3134849,71613.4641933605,143754.429608145,106836.392243375,139725.931393483,76109.2588630105,3387787.2902667,107607.895260275,-4.97648745635737,{"v":1.17700821625623e-05,"d":"1.18E-05"},0.000124168814889484,0.58281071026749]
["POS06396","Clavamycin D",44.4588,316.149132139378,0,0,0,0,0,8931.89923974065,115620.601460362,96495.1716655844,151543.982609522,63462.5114242008,1,87210.833279882,16.412219736437,0.00696117332451671,0.021728770607511,0.0847095357936776]
["POS06832","Clavamycin B",34.9476,363.156416598153,1384928.63629165,990091.914050964,995976.018124199,1486647.78749996,707535.578758287,41837.0869608602,23127.5680677855,16750.1063464788,30116.7157215109,0,1113035.98694501,22366.2954193271,-5.6370301094643,{"v":6.0806841740795e-05,"d":"6.08E-05"},0.000413441628414818,0.329758826907576]
["NEG03298","Citbismine C",450.6965,683.221296816105,76215259.3122887,75705518.3691349,65925198.684129,77765018.5680049,58374916.2625119,686771.948091096,919301.639191283,1335224.95793121,1021030.66122456,873781.412250257,70797182.2392139,967222.123737681,-6.19370088686864,{"v":7.03972215031654e-08,"d":"7.04E-08"},{"v":5.33706392853659e-06,"d":"5.34E-06"},2.70632329872403]
["NEG05904","cis-Ferulic acid [arabinosyl-(1-&gt;3)-[glucosyl-(1-&gt;6)]-glucosyl] ester",35.02955,649.195716745217,1812384.67348132,1516209.03401466,1138677.6099737,1711653.52588283,1163049.17541977,193380.51352865,271441.008717727,332456.955108919,231299.778777878,225835.987530961,1468394.80375446,250882.848732827,-2.54915416292545,{"v":2.4082465936547e-05,"d":"2.41E-05"},0.000204016799496543,0.348300237820047]
["POS05034","cis-4,5-Dihydroxy-4,5-dihydropyrene",30.8031,237.089463995622,238115.789951186,259322.621488604,228115.35929898,269222.537661045,386055.531165858,925260.84829231,904199.893675917,966800.492434899,979856.183001991,947688.173287885,276166.367913135,944761.1181386,1.77441195547428,{"v":2.58796984795232e-08,"d":"2.59E-08"},{"v":2.89399728247269e-06,"d":"2.89E-06"},0.265957544029208]
["NEG05863","Cinoxacin",36.2697,261.046289079308,33266.3595743319,72669.4242009733,51589.4732620297,32765.8711095288,22040.4861413582,157150.312219181,274000.495795566,546244.438647611,555243.58171125,309136.056405885,42466.3228576444,368354.976955899,3.11670563864243,0.00334775905557961,0.0117816886354112,0.168767948123031]
["NEG06146","Cinchoin 1a",32.1179,451.10020295906,154057.327201293,64560.9344002212,85337.674114147,106830.579870804,103392.307406192,982078.022479318,1555152.35172354,1530397.88300704,1425857.67153999,1529252.64803608,102835.764598531,1404547.71535719,3.77169163392176,{"v":2.21682071773922e-06,"d":"2.22E-06"},{"v":3.89459995597938e-05,"d":"3.89E-05"},0.367040992035541]
["NEG05628","Cimifugin",44.4456,305.105300604788,136104.906487357,92344.0656741813,107383.671164707,209491.156014896,66976.6444298397,2755.61708573906,29442.709727845,31273.0399010286,46088.5724041805,27766.7042084274,122460.088754196,27465.3286654441,-2.15662817264673,0.00576036095718301,0.0186846225971571,0.0905146630689592]
["POS05838","Cidofovir",92.9005,280.071026916236,0,0,0,0,0,0,100367.214308651,173987.676307088,261603.211232032,177563.541593519,1,142704.328688258,17.1226695715656,0.0116477373560805,0.0341865677124331,0.107722458998615]
["POS03738","Choline sulfate",32.9989,184.063400079062,1251695.50519254,1288895.52660081,1303419.7192782,1320997.60126527,1203157.42261687,8201372.25051667,4661925.54332482,5800768.6751997,3973818.36434185,5488433.66369104,1273633.15499074,5625263.69941482,2.14297093067525,0.000306187519001105,0.00156166108607975,0.646453482063604]
["POS06817","Chlorthiophos",27.649,360.95632261224,11888.8439857321,22085.7764981942,34835.1024784531,27084.5118818189,40282.3472474869,230392.317924309,280046.568823186,335769.997547161,414498.410198466,286995.104994621,27235.316418337,309540.479897549,3.50657755547897,{"v":1.90864333852756e-05,"d":"1.91E-05"},0.000173523610838085,0.168775645298398]
["NEG04275","Chlorpromazine",354.9215,317.092798462578,0,0,0,0,0,45346.6641404152,73626.8861821061,92767.3135451819,76574.9719633493,61410.640530723,1,69945.2952723551,16.0939394002631,{"v":2.13987723228722e-05,"d":"2.14E-05"},0.000189163455731636,0.0839061423574258]
["POS05227","Chlorphenesin carbamate",221.923,246.04812979513,0,0,0,5526.91080295593,0,13693.7986484611,113406.057543525,176635.151905723,107747.185549366,175044.578442538,1105.38216059119,117305.354417923,6.72957982198479,0.00452041699707003,0.0151459365002953,0.100851153397682]
["NEG06205","Chloroprocaine",31.5807,269.106839407143,18773511.286003,24244842.579696,33619336.2269571,11825853.0981697,22242270.797882,1809264.49167881,3139427.56269493,3914190.68119724,3273892.00866251,3475915.15607978,22141162.7977416,3122537.98006265,-2.82593996595041,0.000718437362243644,0.00315055913854492,1.3475935175658]
["NEG06117","Chloropanaxydiol",32.15375,311.145765760008,86305.6233569102,81063.5811860238,57111.831700829,161419.794224026,103202.289914683,3283178.869761,3970992.39541593,4171687.51998523,4457039.16892617,3535513.2133179,97820.6240764944,3883682.23348125,5.311142683883,{"v":1.02716488017172e-07,"d":"1.03E-07"},{"v":6.56358358429729e-06,"d":"6.56E-06"},0.628486204655665]
["POS04705","Chloridazon",36.0467,222.042323548596,0,0,57484.4737717731,19209.8986894491,44961.6052729285,80431.3877144058,109888.412113901,157208.611161536,215453.880609623,137810.96873578,24331.1955468301,140158.652067049,2.5261816895003,0.00197248625461999,0.00746440864375231,0.101622117997552]
["NEG05092","Chlorflavonin",191.8215,377.043875342186,0,0,0,0,0,194309.331763438,152191.665332546,248709.20737686,237301.774575356,209627.137914448,1,208427.82339253,17.6691883527782,{"v":1.86797361188979e-06,"d":"1.87E-06"},{"v":3.53082628605059e-05,"d":"3.53E-05"},0.147157074939636]
["POS06068","Chlorbromuron",27.5591,292.969339308805,12437.3111255327,21883.1700381548,32684.5884771275,33255.9228683487,7726.59189357062,94937.1066915429,130676.444875392,122762.4826477,188469.336794517,126942.515505898,21597.5168805469,132757.57730301,2.61985685013334,0.000125930778744741,0.000757332640045158,0.10359636499988]
["NEG06638","Chloraminophemide",25.7005,283.956416342626,190153.864327453,291706.5491469,147086.021638703,214485.85567156,175978.099382507,25230.412293907,103375.983573397,100110.486921028,38632.7962012918,68350.1592806477,203882.078033425,67139.9676540543,-1.60249121575212,0.00155805686350131,0.00608878092760078,0.111374662604104]
["NEG05147","Chlorambucil",182.4195,302.065864731262,1155761.56236082,1434319.04349289,1027625.20847917,1576688.87916096,1010185.84624322,468645.10707322,393622.419167234,422120.026606129,500680.373192593,335593.715155172,1240916.10794741,424132.32823887,-1.5488192280378,0.000113280655829614,0.000698902584173605,0.28514785773938]
["NEG03677","Chenodeoxycholic acid disulfate",411.794,551.189716417038,54402.1574153913,25269.8218103429,13941.0317143069,36752.8724464509,31347.5998005501,0,0,0,0,0,32342.6966374084,1,-14.9811523509778,0.00129981243368575,0.00520506805360462,0.0530368367486638]
["POS03782","Chamazulene",36.7409,185.127937967101,8618683.84095209,7568526.36575557,7039867.7948459,7267857.78007642,9049054.50604083,3126865.64457453,3525843.47818868,4653673.94847296,3584981.42230798,4161929.25478087,7908798.05753416,3810658.749665,-1.05341803887144,{"v":2.53963295721199e-05,"d":"2.54E-05"},0.000212173222947961,0.631260721376526]
["NEG06250","CGP 52608",30.8392,243.038281203949,141336.364923576,211065.794344005,246970.602133544,215816.956728927,235059.956767113,627482.156326731,805017.528031477,871989.063862431,564004.851226734,624803.117477446,210049.934979433,698659.343384964,1.7338568496858,{"v":4.83549735160809e-05,"d":"4.84E-05"},0.000347727873453816,0.219150429944956]
["NEG01223","CerP(d18:1/26:0)",600.1,756.64385862944,8172.01321735563,2959.61558743403,10266.4156510284,0,0,95149.5717908869,85524.9836778597,106167.618884928,173896.561081806,102409.683992767,4279.60889116361,112629.68388565,4.71796433753476,0.000133325691918261,0.000789041993100394,0.103008331108431]
["NEG05814","Cephapirin sodium",36.6946,444.032670623833,896913.729436563,1076610.33475126,1005365.27486435,445433.755932624,971517.049659654,189197.112005846,510476.515785345,429250.903071856,380694.312483404,332656.890839845,879168.02892889,368455.146837259,-1.25464991706425,0.00340598988746974,0.011958393066446,0.21049796309278]
["POS07308","Cephamycin C",28.9868,447.122911236887,7200.95528807683,0,0,0,0,375941.310449925,533636.810907749,521185.733580509,495666.96917518,502923.342728263,1440.19105761537,485870.833368325,8.39816880626256,{"v":1.38687317725324e-07,"d":"1.39E-07"},{"v":7.1117340094531e-06,"d":"7.11E-06"},0.225053379644732]
["NEG06208","Cephalosporin C",31.5748,414.093432902094,3948530.24914778,3713556.19152567,3415813.25096608,4364103.4242034,2882407.08451854,611414.222712121,577418.116813622,618198.517249744,614627.996819783,820103.35675363,3664882.04007229,648352.44206978,-2.49891658840017,{"v":2.27711825014108e-06,"d":"2.28E-06"},{"v":3.97873044253166e-05,"d":"3.98E-05"},0.558393313387071]
["POS07394","Cephaeline",377.4925,467.294711073694,1807105.87128943,1757698.1881772,2316708.75747466,2175295.19533285,1563525.6024644,24730.287409677,41817.6750811004,57458.0999778782,20200.409462895,18955.3722582794,1924066.72294771,32632.368837966,-5.88171130078486,{"v":8.45554154895647e-07,"d":"8.46E-07"},{"v":2.1489566675274e-05,"d":"2.15E-05"},0.447156152843678]
["NEG03523","Centarol",426.0105,237.185458190934,38767.1130481628,42560.7619324062,48574.6489944066,62083.6703360891,39447.2672856898,93023.5499491781,154995.355610166,185037.469438344,151848.468009551,131688.330323285,46286.6923193509,143318.634666105,1.6305568294121,0.00027544226698027,0.0014259875696791,0.0960594945627293]
["POS07696","Celecoxib glucuronide",177.086,560.107615510302,0,0,0,0,0,9834.75615824759,57642.5576078815,71804.6771296029,65980.1974647264,65167.1193776374,1,54085.8615476192,15.7229638915141,0.00137152516128668,0.00546289585613118,0.0705503115659401]
["NEG05888","Cefoxitin",35.2401,426.035370630717,2334583.48993553,1441591.67461352,2015055.13033209,1445144.93402223,2206917.1287913,277811.456637731,854290.254203249,889322.874980908,628347.083627085,853516.335194375,1888658.47153893,700657.60092867,-1.43058033915823,0.000670549798968587,0.00298444701570795,0.328387762090974]
["POS07356","Cefotaxime",35.2895,456.054571704161,2855432.19911039,2177718.36731449,2782939.8208794,2451248.97283165,3046153.1645746,675096.209907621,1419160.86214088,745368.912091361,834151.994678476,599388.97629228,2662698.50494211,854633.391022124,-1.63951149251487,{"v":2.83865592955966e-05,"d":"2.84E-05"},0.000230518985198666,0.426031669474583]
["POS07656","Cefonicid",31.65695,543.046881866773,814865.353240519,729896.714839064,521127.542730353,1051600.37668595,197457.780298427,0,0,0,0,0,662989.553558863,1,-19.3386266130287,0.00175478341536001,0.00673168629237163,0.246472256786063]
["POS07054","Cefdinir",35.8529,396.03360945687,2425456.35917074,1913423.28929065,2177616.50257002,2356123.53236246,1735815.60512288,164578.950375502,300735.468613649,145568.328236564,219817.477637049,164582.610675279,2121687.05770335,199056.567107609,-3.41396150536178,{"v":5.40794377181186e-07,"d":"5.41E-07"},{"v":1.63444138454827e-05,"d":"1.63E-05"},0.448017062062319]
["NEG04303","Ceceline",343.317,303.113680619406,0,0,0,0,0,2814.49364364039,7040.98014534216,8539.11858309677,7990.49450675118,3871.91767167204,1,6051.40091010051,12.5630534521888,0.000735816645004057,0.00320790239093874,0.0236476930335648]
["POS07470","CDP-choline",34.7979,489.113106931942,121121.455551631,271963.354645034,258301.274505315,454568.919003527,132988.662846522,581082.326004752,884916.558948642,620793.712090824,362001.219636283,447773.230632906,247788.733310406,579313.409462681,1.22523346853138,0.0152088355037759,0.0427318600555211,0.155103010354036]
["NEG06593","CDP",26.5145,402.010322204133,663731.531900176,463397.419442049,614158.353464074,400548.190681541,417457.971794882,189310.896690161,106427.224688343,142900.454510689,130305.337257137,121198.318392361,511858.693456544,138028.446307738,-1.89077996388367,0.000143682208428295,0.000840118324574857,0.190775200070728]
["NEG06584","Cavinine",26.74195,346.125100604371,9286.63489094999,18334.6221861527,5140.1265871283,8922.98774546981,23144.9485517722,31157.6852144079,46239.5321568053,83419.7659678299,100337.796221327,59872.3128333164,12965.8639922946,64205.4184787373,2.30797671093472,0.00412013505795784,0.0140467714285407,0.0671181590375477]
["POS03513","Cavanine",36.68,177.094580168498,8549033.05281549,6861250.91991615,8017324.7870612,9143120.72002203,7993772.6106271,1550353.96738129,2305549.71233148,2731045.44289822,2211786.88756506,2521811.28982172,8112900.41808839,2264109.45999955,-1.84127407214507,{"v":7.72181797465666e-07,"d":"7.72E-07"},{"v":2.04376874559996e-05,"d":"2.04E-05"},0.777811353941196]
["POS07076","Caulerpin",193.688,399.132551425042,0,0,0,0,0,16018.5874051404,37739.2530607107,94291.7830148442,61591.3244503947,80054.6287801082,1,57939.1153422396,15.8222500361787,0.00342640302622402,0.0120112074735894,0.0719508341587565]
["NEG04677","Catechin 7-O-beta-D-xyloside",271.388,421.115209335354,0,0,0,0,0,24479.1297343217,43105.0226414234,67506.5018688092,58617.9538158012,43960.3988670589,1,47533.8013854829,15.5366661613851,0.000197970148105787,0.00109729922240048,0.068014517801758]
["NEG06725","Castamollissin",24.5643,467.0815125834,0,0,0,0,0,29850.3445276044,56575.8890596755,76756.4364591737,62947.9755045171,42280.8525880258,1,53682.2996277993,15.7121588541904,0.000170030715186307,0.000962718213959939,0.0721436034779468]
["NEG04862","Cassythine",216.38,340.118031199852,54420.9651591681,70493.1977720137,52973.483688481,55458.7571613801,54010.0800202912,72289.6759688954,127951.128584561,167322.582952126,155376.780680546,110462.396562139,57471.2967602668,126680.512949653,1.14028110712346,0.00381477112600536,0.0132070210887167,0.077325771812522]
["NEG06634","Carpropamid",25.7238,332.030384412048,446448.791799576,452947.187050927,394442.67633201,557048.281372479,331551.094757311,118901.364992829,120241.685715417,83665.0296300458,89023.4623518457,104465.204722337,436487.606262461,103259.349482495,-2.07966827570398,{"v":2.22118967059691e-05,"d":"2.22E-05"},0.000193672151980117,0.184375958388541]
["NEG05900","Carnosine",35.0495,225.098568463675,16115592.7749056,16101859.3878181,23887600.9376533,26347079.8524198,27523964.0932643,353339.776985489,514142.261105544,656922.16996856,453532.180804988,617933.746475362,21995219.4092122,519174.027067989,-5.40482797158431,{"v":2.4174435636538e-05,"d":"2.42E-05"},0.000204408791308572,1.47724693596977]
["NEG02541","Carnosifloside I",520.799,779.471674409145,51078396.2957811,37564225.8839452,46299232.2932414,70639159.11812,43354330.690296,1993005.91482597,2605912.63006409,3014302.31268065,2107613.48732118,2364333.36471824,49787068.8562767,2417033.54192203,-4.36446168218038,{"v":3.14015369112644e-05,"d":"3.14E-05"},0.000247723235633308,2.18816337019515]
["NEG06515","Carmine",27.8275,491.084879561918,10998.3183362827,9082.34282652775,0,17513.2364276985,29613.4855635396,53427.9546641927,78084.7074390616,77238.5052248523,60773.1254334262,102862.395311689,13441.4766308097,74477.3376146444,2.47010986499365,0.000260653880222202,0.00136044901544214,0.0778084142813167]
["NEG06712","Carfecillin sodium",24.842,475.102319213413,26299.6303151663,42324.6678568164,41315.0137384444,18025.5605140852,58571.1151800827,0,0,0,1363.21674865535,0,37307.197520919,272.64334973107,-7.09629521428101,0.000755614468330248,0.00327506154732674,0.058465622306524]
["NEG06392","Carboxyphosphamide",30.16765,291.007242269653,153422.736845956,151876.659592125,290162.961762323,219300.996284317,383288.206482384,730305.489970251,546079.865350816,640993.13893679,616354.266512339,755777.556478545,239610.312193421,657902.063449748,1.45718283838345,{"v":9.5234249899127e-05,"d":"9.52E-05"},0.000606124738938207,0.204135874327966]
["POS05035","Carbetamide",206.342,237.126611667825,0,0,5618.78640150836,0,0,0,254814.674004427,272982.263947595,99687.835118543,289075.890199144,1123.75728030167,183312.132653942,7.34982800236781,0.0126739883967446,0.0365982892825297,0.121069875862667]
["POS03265","Carbazole",228.345,168.080146421798,58205.2503613572,37881.4425839931,27903.1114433668,26731.6007233541,45686.7278008835,80764.2129801323,195260.922518743,152206.474475696,272538.231310164,172035.53095046,39281.6265825909,174561.074447039,2.15180531133589,0.00270294826367349,0.00977387840211118,0.109829100997431]
["NEG05865","Carbaryl",36.1273,200.074799249768,375618.021216163,522134.82518444,430802.131925556,190026.508582312,361068.178547204,7455.86688846299,0,6300.26073571173,0,0,375929.933091135,2751.22552483494,-7.09424557723522,0.000129971296887169,0.000775549596832251,0.191105099387687]
["NEG03699","Canbisin A",410.955,593.198280380596,82133.9590808148,121047.630715346,132796.487604198,73956.5950105998,114932.648097079,2350.33030311017,31652.4198299359,36325.4363961236,22764.3875210508,30683.3928035373,104973.464101608,24755.1933707516,-2.08422155601118,0.000256778197946841,0.00134492843022977,0.088518378478922]
["NEG06203","Calystegin B2",31.5819,174.076015700373,1707584.85136384,1331202.88642455,1452737.11112172,3347476.13791233,1109526.98484822,8860840.40006583,150948.108393321,10504939.3032593,8040299.41459877,10258970.8188241,1789705.59433413,7563199.60902826,2.07927441082865,0.018094693984947,0.0491565069087932,0.677089664914274]
["NEG05921","Calaxin",34.7826,343.113345236476,5264057.4398711,5568834.00368556,5374821.56781691,5461102.78277584,4937084.06027666,412002.778432593,491705.641641948,597643.152635985,601512.561993314,537800.893905472,5321179.97088521,528133.005721862,-3.33277298791649,{"v":1.1247710177558e-10,"d":"1.12E-10"},{"v":8.38516793736945e-08,"d":"8.39E-08"},0.713033707869146]
["NEG04493","Caffeic acid 3-glucoside",306.68,341.092874220865,1278.76646654063,4353.05589745115,0,1102.27487315596,4771.96450812844,4672.49355918671,25576.9343822125,34577.68424417,26412.977434663,25215.5955744662,2301.21234905524,23291.1370389397,3.33931504907107,0.00319429495438566,0.0113128118218267,0.0431474140133348]
["NEG05798","C20916",36.8619,272.124998832915,4533.8857875697,0,3475.16229924215,82199.4016508062,15700.9080480682,82622.3593874617,179229.050335303,162230.987361199,162991.439286653,132477.885348873,21181.8715571373,143910.344343898,2.76426832577596,0.000707357507855627,0.0031203255745939,0.106265298896867]
["NEG06487","C20913",28.1538,233.077168823186,30906.2881548108,54911.2412980942,0,14771.6750154857,19563.3352928851,89386.5138270879,122169.750279501,222638.715328569,212990.138386366,124471.216247071,24030.5079522552,154331.266813719,2.68309132567017,0.00171854530417999,0.00662676995310093,0.109097934365365]
["NEG05978","C-1027 Chromophore",34.3797,842.226608848014,2133218.29205067,2421003.26456164,2379967.13702758,1536096.60945431,2193036.77202407,13295.7214974516,32250.5003466564,83850.0360850688,14925.7208447077,99245.5051161065,2132664.41502365,48713.4967779982,-5.45219161113267,{"v":1.13092642261972e-06,"d":"1.13E-06"},{"v":2.54202707958693e-05,"d":"2.54E-05"},0.463967828465653]
["POS07747","C.I. Acid Blue 3",34.6015,585.140957743233,1375763.47357964,639005.594937035,423761.349440462,677111.9744102,747986.082298529,44840.7568066664,21098.3020609936,125186.400142201,90608.191826678,34182.3994809068,772725.694933173,63183.2100634892,-3.61234323062302,0.00229345129343642,0.00849222486385854,0.244086409660828]
["POS04619","Butylate",38.89395,218.15728928635,0,8584.66902700325,0,0,0,68802.6420085094,98004.2524254161,131274.346870954,172178.4757899,84495.6628773626,1716.93380540065,110951.075994428,6.01394542971201,0.000363367006004975,0.00179595648382348,0.101950386100087]
["POS01229","Brunfelsamidine",29.0832,110.071250583429,518967.851584434,562030.372581294,542910.430849956,513910.631986906,423979.098859137,1866281.94247239,2451184.95026536,2376223.8838137,2024668.09718585,2042494.26056574,512359.677172345,2152170.62686061,2.07056361633154,{"v":5.40754424712048e-07,"d":"5.41E-07"},{"v":1.63444138454827e-05,"d":"1.63E-05"},0.411337225890231]
["POS07397","Browniine",377.2245,468.297285864245,213724.29170793,182002.224150307,314146.253333799,266765.877576102,216178.878766984,0,0,0,0,7897.09957555153,238563.505107024,1579.41991511031,-7.23883476281903,{"v":7.52296630618958e-06,"d":"7.52E-06"},{"v":8.90217679565767e-05,"d":"8.90E-05"},0.157119646750798]
["NEG04840","Bromodiphenhydramine",223.1015,332.058754537098,5927.01932498728,2921.79289600214,4072.52390987821,0,4134.27975925414,3099.85396204946,18938.5683941508,17470.2390778377,16011.3131026834,15909.3030169408,3411.12317802435,14285.8555107324,2.06626867716023,0.00690182661074961,0.0216341068184184,0.0303396928803244]
["NEG06673","Brevifolincarboxylic acid 9-sulfate",25.341,370.978246312075,118425.598110368,140367.280474248,59729.830852242,106244.299140363,82597.2884426515,15919.8911017035,24489.4845950099,29860.2732332235,21332.9273609443,18481.3296055381,101472.859403974,22016.7811792839,-2.20441843677551,0.000515710423369844,0.00240790472205982,0.0858387134040959]
["POS05928","Breviamide F",29.4972,284.136083670196,627117.038362635,409069.750022107,510996.945164076,623822.705819332,553242.717146754,0,37943.3906148502,35550.0203676047,40834.3302520372,41158.3841202218,544849.831302981,31097.2250709428,-4.1310009027218,{"v":1.58807353812631e-06,"d":"1.59E-06"},{"v":3.17118434644598e-05,"d":"3.17E-05"},0.229363530099981]
["NEG05883","Braxoron",35.2951,405.107636644132,13849429.4561237,12654646.8857447,12108223.4066652,15281939.5739402,13235399.3793403,3901242.91836881,2469831.04131418,2567566.06261976,2246127.18698354,2676033.6603585,13425927.7403628,2772160.17392896,-2.27593925968119,{"v":1.3366312298314e-07,"d":"1.34E-07"},{"v":7.03382528357159e-06,"d":"7.03E-06"},1.05345691470852]
["POS07934","Bougainvillein-r-I",34.9266,713.198045380618,1066017.86068679,1166832.83156511,1189777.45038478,1110073.98147687,862228.801396385,0,69028.2944984993,26468.6742909662,0,0,1078986.18510199,19099.3937578931,-5.82000573726005,{"v":1.06389662848526e-07,"d":"1.06E-07"},{"v":6.69017344517601e-06,"d":"6.69E-06"},0.335199835663981]
["NEG06016","Boc-Asn",33.9761,231.097941789322,34471.534176083,0,62179.4852491738,35355.9695633845,111606.695912093,2825949.29802015,3845986.18944757,4517437.7062581,3597163.84052154,4186405.96905233,48722.7369801469,3794588.60065994,6.28320449234866,{"v":1.16844254949092e-06,"d":"1.17E-06"},{"v":2.61322176193644e-05,"d":"2.61E-05"},0.624192281436916]
["POS07130","Bleekerine",404.2315,409.173439584028,72982.051984996,80070.495382254,65615.6389315846,38231.7068380199,39156.067946372,91925.8815548149,113561.664441138,148657.769536214,133892.62010021,122365.823526001,59211.1922166453,122080.751831676,1.04389394430574,0.00124319761673469,0.00502786884236373,0.0761099361358466]
["NEG02971","Bismurrayafoline E",483.046,723.409068882991,195142.682515528,133341.269328717,268048.217996651,254636.532208113,193864.15695796,0,1485.47381635101,0,0,0,209006.571801394,297.094763270202,-9.4584094146082,{"v":2.53542809888073e-05,"d":"2.54E-05"},0.000212173222947961,0.146341887365644]
["NEG02524","Bis-gamma-glutamylcystine",522.125,497.092542425088,142933.181635068,131503.78203773,107354.914029766,128505.495292104,277759.193026961,1016875.21122375,1305051.47965856,1762128.38041821,1554609.55634976,1408565.47850439,157611.313204326,1409446.02123093,3.16068522779966,{"v":1.01905992326371e-05,"d":"1.02E-05"},0.000111721937175455,0.358437310182066]
["NEG05871","Bis-D-fructose 2',1:2,1'-dianhydride",35.86135,323.098077390187,53700.9946748211,65550.5020060124,141568.254135433,73704.3156025365,119628.806256593,260147.707418693,373818.702519706,449923.722452553,606286.482125239,534383.36976895,90830.5745350792,444911.996857028,2.29227008983966,0.000490105612109049,0.00230431993107557,0.18368594052214]
["NEG05643","Bipacryl",43.82305,321.104806286363,2655.42293641096,0,4700.18059238369,3138.74702940784,4216.30584511179,8806.71438909265,35741.2064413761,40905.61155674,37360.8267456225,30158.2128939962,2942.13128066286,30594.5144053655,3.37833947341908,0.00137578151723552,0.00547010731252842,0.0501817912968766]
["POS07727","Biotinyl-5'-AMP",34.9476,574.152963576662,266125.993377023,250590.710597149,344091.655869385,382024.908595157,368832.526913865,0,78830.1176951379,0,47327.9966748265,25330.5878280715,322333.159070516,30297.7404396072,-3.41127050024402,{"v":1.27056422571913e-05,"d":"1.27E-05"},0.000130950087134601,0.173268255845364]
["NEG04995","Biotin sulfoxide",194.064,259.071893132804,12183.2790098777,8578.37076738268,6567.51431301811,7155.57650557768,12105.2353385296,303638.821468141,400108.148243562,720390.464939108,651290.154623754,745196.964490556,9317.99518687715,564124.910753024,5.91985124973598,0.00025635311163931,0.00134427604731845,0.233516591172937]
["NEG04769","Biochanin A",246.509,283.05696380024,22908.2736575733,4472.81657253532,5461.84231121717,18782.1517101449,11490.4647273791,39480.274917467,107582.469106338,122714.883282556,140267.462374018,88427.0096910364,12623.10979577,99694.4198742831,2.98144538330502,0.00115812734000607,0.00473952753142466,0.0896159934184375]
["POS06977","Bikaverin",34.6027,383.075280141816,2698402.91449919,2123410.23066457,1976365.35892436,1817910.12727543,3223763.19773671,620417.577800431,679308.328122066,1013116.94800641,1006017.51766238,747419.123150581,2367970.36582005,813255.898948374,-1.54186973934223,0.000460360975809912,0.00218830461721332,0.375185189932492]
["NEG01137","beta-Tocotrienol",624.767,409.310852496031,179724.923874548,161521.171335607,127764.669623651,150986.255953998,130051.046104759,349811.527561359,479478.770315212,528983.429943355,867009.097396716,456376.727605205,150009.613378513,536331.910564369,1.83807113416929,0.00235482260789316,0.00869787078869207,0.185499158714777]
["NEG04549","beta-Cymaropyranose",291.345,161.078844079542,33948.5623915274,29274.2248908889,35506.7569503887,40326.2641751775,38340.7311280328,145104.753865579,272873.308399112,298616.375436807,260536.517572555,237159.791499626,35479.3079072031,242858.149354736,2.77506412583055,{"v":5.03548928795709e-05,"d":"5.04E-05"},0.000359239199594043,0.143652832912215]
["POS03281","beta-Carboline",234.7465,169.075445605007,456886.659550818,271970.173544661,471783.341787683,54988.637908764,245505.463930074,1193995.38217377,1496374.63000032,1902127.81622468,2030042.82567291,1643260.30854098,300226.8553444,1653160.19252253,2.46110159252228,{"v":3.97927209676411e-05,"d":"3.98E-05"},0.000301172319607882,0.36886181818954]
["POS04531","Benzyl nicotite",228.568,214.085461600862,19032.1135097304,11077.0400785242,10081.9834175173,24194.6701350998,28101.2017573984,1868547.15883424,2674449.04647455,2679707.5647984,3252964.71607502,2173931.92582335,18497.401779654,2529920.08240111,7.09562536399228,{"v":5.63012372065435e-06,"d":"5.63E-06"},{"v":7.32079750072294e-05,"d":"7.32E-05"},0.505769388218844]
["NEG05032","Benzyl 2-methyl-3-oxobutanoate",192.2735,205.088064687273,50628.8266755677,53281.1348848685,53915.7535531814,57172.6491701938,60284.7222228523,6598660.87721284,9059206.46757165,10874146.5930304,12050247.2024133,9839651.11403998,55056.6173013327,9684382.45085363,7.45860027149098,{"v":6.0613033401639e-06,"d":"6.06E-06"},{"v":7.68006829082331e-05,"d":"7.68E-05"},0.99384085686401]
["NEG05085","Benzoximate",191.982,362.074920336199,0,0,0,0,0,278249.866547535,432862.664908536,239521.005005421,361341.887807284,391882.306980475,1,340771.54624985,18.3784453528468,{"v":1.23299238446504e-05,"d":"1.23E-05"},0.000128410886876012,0.185774399071228]
["NEG04863","Benzo[b]fluorene",215.7765,215.081821483326,364748.917829217,407432.105132295,436663.166892697,354601.602256801,405982.343445251,935787.576355285,1129445.57427142,1477686.46876251,2628925.605835,1243943.36426699,393885.627111252,1483157.71789824,1.91282334200224,0.00666958883447057,0.0210663103797141,0.301553706999029]
["NEG06568","Bentazone-sodium",27.26795,261.026297391517,1583043.32299461,1661785.19979483,1354756.63706405,1482116.31482612,1106014.75623381,361091.616535017,383931.809790991,331823.184151854,330772.088797332,372491.797523303,1437543.24618268,356022.099359699,-2.01356665638323,{"v":4.08184772138377e-06,"d":"4.08E-06"},{"v":5.88971124443535e-05,"d":"5.89E-05"},0.333560667156817]
["NEG05049","Benfuracarb",192.257,409.17874997973,0,0,863.993998313475,0,0,3809340.29433806,6055563.50360162,8163608.45353249,9084942.39420683,6976141.5354028,172.798799662695,6817919.23621636,15.2679506933007,{"v":7.04937012535052e-05,"d":"7.05E-05"},0.000471327841116485,0.823977913187747]
["NEG04440","Bay-K-8644",314.653,355.091665238558,0,0,0,0,0,86310.1989295168,113262.670399557,136609.727507342,104379.741999089,126580.936388317,1,113428.655044764,16.7914256232592,{"v":1.1772118907841e-06,"d":"1.18E-06"},{"v":2.61973571516282e-05,"d":"2.62E-05"},0.108634104519669]
["POS05426","Barban",204.02,258.007831184613,344741.609588527,102791.590867255,237991.670089142,372524.678377755,249709.322509555,4261171.43902911,1583978.84405805,1353979.9168499,2098786.11084356,2233917.44690374,261551.774286447,2306366.75153687,3.14045348231943,0.00420079363769598,0.0142782294387645,0.42011900790803]
["NEG05957","Barbaloin",34.51585,417.12440694605,779822.48779125,1221267.93951848,1301037.2862115,1136272.50081533,1445088.66136975,26423.3262403934,28161.0621592697,49372.6039366738,70540.0661671928,89487.981369805,1176697.77514126,52797.0079746669,-4.47814383986852,{"v":8.35961512078893e-06,"d":"8.36E-06"},{"v":9.58783549622792e-05,"d":"9.59E-05"},0.340042036468921]
["POS06260","Balfourodinium",212.4545,305.155919316953,139579.810611632,114392.348538268,114156.343830401,182607.115848205,95462.4977287752,309738.065773743,635924.311206211,389473.419090298,531826.272026438,422096.057004586,129239.623311456,457811.625020255,1.82470564634622,0.000528995149478885,0.0024571083111309,0.174590644981717]
["NEG04592","Azoxystrobin",283.238,402.109305895688,36684.6473805161,42832.8953590965,40838.2891102288,40620.0755364865,27420.6485578088,131235.561293552,200225.662836197,322506.00575233,285214.849786679,262012.59097621,37679.3111888273,240238.934128994,2.67262548263765,0.000328366995456829,0.00166152213877647,0.139850442896878]
["NEG05890","Azinphos-ethyl",35.1695,344.031970252793,1051556.38456472,1509241.64324845,1597669.99024918,1084170.57658732,2146120.63046472,3816856.17668885,9325361.28745058,9893995.15990594,8102316.40393714,9201060.8926389,1477751.84502288,8067917.98412428,2.44879239620551,0.000367477640372127,0.00181426874766504,0.795406514465837]
["NEG03146","Azidocillin",456.836,374.093208099566,0,0,0,0,0,284273.459320742,489346.541201516,544051.542494644,324611.209347096,406737.842196821,1,409804.118912164,18.6445749592845,{"v":3.01552647793988e-05,"d":"3.02E-05"},0.000240453576810381,0.202693206015991]
["POS05247","Avocadienofuran",290.312,247.200703371057,620986.987664028,874737.910906523,614721.486861984,825076.473641699,784813.56625404,256011.537055849,279930.719868793,225791.140125812,253485.272358301,245063.65091942,744067.285065655,252056.464065635,-1.56168613514413,{"v":1.73491558698533e-05,"d":"1.73E-05"},0.00016000572001207,0.223351786597099]
["NEG01868","Avermectin B1b aglycone",547.374,569.300001692792,293503.725992478,408872.584731653,414111.782006712,490233.449642876,428604.598049917,1233297.89236538,724617.424231811,850359.139724589,666984.027453055,755410.065819753,407065.228084727,846133.709918918,1.05562567232876,0.0032691112359456,0.0115503432530685,0.1943225627831]
["NEG03415","Avermectin A2b aglycone",432.7715,601.325790320604,2063.19218521545,11746.880788487,13279.1546110901,1815.89175386454,2725.68358878667,34264.0603191889,33156.1177299166,55085.8372433127,55689.383840606,46790.1232321094,6326.16058548875,44997.1044730267,2.83043008486805,0.000108533670196896,0.000674265426098217,0.0615383235639247]
["POS06201","Aventhramide A",202.08,300.09157537702,29774.536922697,43671.9312528193,23258.7062253845,24861.9315268044,23972.0726616809,0,10943.3799448446,0,0,0,29107.8357178772,2188.67598896892,-3.73327727415964,0.000283251269675572,0.00145965775260234,0.0509883541893324]
["POS06979","Austrobailign 1",44.71445,383.110345381191,57671.9297142344,30920.1036995563,15127.3684737029,9989.5484917674,51098.8684043351,61291.8598974715,73180.064216197,227323.178136366,116714.952381738,180274.586554892,32961.5637567192,131756.928237333,1.99902223243566,0.0174496248902511,0.0477675472056872,0.089909328887014]
["NEG04296","Austalide L",345.1575,427.209863019682,37906.3495085851,47487.6771976815,76307.6903031992,54956.5602031212,60761.7430335028,9125.55397708843,11448.6693326483,22567.4087275735,23348.3168641413,10868.7128716313,55484.004049218,15471.7323546166,-1.84243716173141,0.000516266193936185,0.0024079861162425,0.0625472534311595]
["NEG06438","Auriculoside",29.3392,449.134355240566,34656.907415029,24925.8722945324,20874.4545689834,0,38062.568357551,30259.5099694237,280150.128733494,249123.915423409,245622.171026002,164622.86916757,23703.9605272192,193955.71886398,3.03252728085878,0.00579870798247934,0.0187473074813044,0.119699476245887]
["NEG06537","Aurasperone D",27.803,555.125497608013,0,0,0,0,14894.435827149,383602.014933173,442061.509265195,534686.640759523,381177.006008263,504661.859910832,2978.8871654298,449237.806175397,7.23656205636402,{"v":5.65092516579508e-07,"d":"5.65E-07"},{"v":1.6615902936307e-05,"d":"1.66E-05"},0.216036742401598]
["NEG05773","Atrazine",37.0152,214.08250977118,0,0,0,0,0,57830.9513844933,125280.873248558,147115.805944766,126446.182085617,143420.720771083,1,120018.906686903,16.8729021672279,{"v":7.40252950209792e-05,"d":"7.40E-05"},0.000492730869983393,0.109417321223338]
["NEG05746","Atovaquone",37.2778,365.089390234872,40710.8273389552,38025.3256337255,12863.6146192171,0,11972.8542497141,64297.9213976217,106177.132209815,147583.669610877,95754.475536488,66466.0870720248,20714.5243683224,96055.8571653653,2.21323089270364,0.00233807725312502,0.00865030566850969,0.0821347678825644]
["NEG05157","Atherospermidine",181.755,304.062974916102,326526.630240155,381240.707296376,266093.144124314,486000.320326106,265178.308399323,116595.938231221,140631.75350012,126899.839951797,58143.5967932062,140547.047451736,345007.822077255,116563.635185616,-1.56551129579275,0.000836550719686784,0.0035739172580315,0.146536743841864]
["POS06891","Aspidodasycarpine",178.647,371.202383113555,447262.099897092,194881.351401051,172427.720620252,300855.685643938,258700.777910828,8806.72493910978,0,0,0,5479.70577196939,274825.527094632,2857.28614221583,-6.58772668264453,0.000526026299999031,0.0024458582535298,0.157089154391134]
["POS05545","Aspartyl-Methionine",37.2763,265.084295054282,379531.826179554,341196.247461503,295051.817755729,363635.992392075,541781.660471767,2402354.74266406,3251037.91434663,3534948.89638808,3021902.10650277,3305317.6031338,384239.508852126,3103112.25260707,3.0136381114509,{"v":7.55016088086241e-07,"d":"7.55E-07"},{"v":2.01948826259416e-05,"d":"2.02E-05"},0.532705239767131]
["POS05027","Aspartyl-Cysteine",29.0017,237.054168721314,656377.820268147,1310325.36048431,821743.065776911,46914.1267463833,566890.519155201,1243847.67433586,1402365.15200575,1489779.24102492,1661870.73085265,1411094.54865226,680450.178486191,1441791.46937429,1.08330107955451,0.00759602026716755,0.0235460836140267,0.250930556646561]
["POS04970","Asparaginyl-Threonine",30.6465,234.107617935985,104272.893127156,110721.200400188,140159.055083816,123705.821567986,85887.259045507,338947.987450473,571168.459089014,362888.316881279,391733.027230345,438865.211986997,112949.245844931,420720.600527622,1.89718782322652,{"v":8.35050778790006e-05,"d":"8.35E-05"},0.000542116419960478,0.172865743448943]
["NEG06082","Artomunoxanthentrione epoxide",32.3785,461.122271652397,0,0,0,0,0,58705.0018447478,40542.9535859083,70423.2568652475,48565.5195099316,60010.4111992932,1,55649.4286010257,15.7640792538427,{"v":4.56498036244272e-06,"d":"4.56E-06"},{"v":6.34135315565413e-05,"d":"6.34E-05"},0.0758763920273532]
["NEG05090","Aripiprazole",191.8995,446.131374038376,0,0,0,0,0,183110.544847584,268033.418415513,302425.66186468,378574.231014741,290164.765119817,1,284461.724252467,18.1178750181952,{"v":1.7773482378731e-05,"d":"1.78E-05"},0.000163245968542225,0.169827203688165]
["NEG01981","Argiopinin II",541.945,743.486747551384,807102.473832038,634573.339618385,408358.702975164,954254.263546075,515780.361293659,1470041.32429004,2701228.50657915,3322879.52219488,2406118.20442082,2521179.83554661,664013.828253064,2484289.4786063,1.90354810003953,0.000411629005516787,0.00199914933949684,0.417408268062902]
["POS07461","Aquayamycin",35.0221,487.164372273974,10811468.0422189,14893278.1901746,12107583.4558311,11342168.4097052,9093792.08103518,408567.58812662,1131930.62962459,800812.921356925,1096118.47242918,698308.738954631,11649658.035793,827147.670098389,-3.81599888065457,{"v":3.43581332718056e-06,"d":"3.44E-06"},{"v":5.245185328491e-05,"d":"5.25E-05"},1.06175373989827]
["NEG05218","Apoatropine",172.8995,270.145707653791,0,1292.87184123701,1027.89423039926,1263.12837606915,0,10454.0342589642,15490.6585233234,24801.2266230498,25336.4403413569,17812.8060214594,716.778889541084,18779.0331536307,4.71145082892722,0.000221799195900703,0.00119387220609368,0.0418178355824655]
["NEG04584","Antirrhinoside",284.917,361.119266153358,0,0,894.353473219363,0,0,105771.62351483,155822.046835656,216790.979115136,160833.339469712,158278.707751988,178.870694643873,159499.339337464,9.80041769067838,{"v":1.76657139550064e-05,"d":"1.77E-05"},0.000162589996956262,0.127102841058904]
["NEG03887","Antibiotic JI-20A",406.1535,480.272840317798,26689.2283543028,32028.0726976382,42586.8504430213,29301.638093081,42869.6510709023,82613.9424024059,73873.6505149153,92314.9388353973,140420.118583727,75463.3320640138,34695.0881317891,92937.1964800919,1.42152469412633,0.00184491997646314,0.00704724769830881,0.0721416564808461]
["NEG03644","Ansatrienin A",413.6585,635.3372875566,167251.3033893,178700.735361549,188734.951521645,167878.299223272,177597.149904141,25421.2962479712,55351.8215405994,79479.9109697835,79972.3457108869,63573.1599497899,176032.487879981,60759.7068838062,-1.53465489655343,{"v":5.10117043571561e-06,"d":"5.10E-06"},{"v":6.7707820056249e-05,"d":"6.77E-05"},0.108775384282431]
["POS05882","Annolobine",443.275,282.114083193631,0,0,0,7013.1478163575,0,1226174.0849894,1275681.95433383,1624521.2500044,1252800.15966153,1783590.85821304,1402.6295632715,1432553.66144044,9.99623942480168,{"v":1.51243210719624e-06,"d":"1.51E-06"},{"v":3.05048674020462e-05,"d":"3.05E-05"},0.386623502841387]
["NEG02159","Annoglacin A",531.0045,623.489003555303,298233.370440484,259578.084708357,127026.59908469,277215.216518117,277228.351665326,488910.99035236,660480.7353186,555755.338005589,426969.760613383,410775.341562406,247856.324483395,508578.433170468,1.03696621210978,0.00149377098585771,0.00586870983796535,0.154407071096987]
["NEG04260","Aniracetam",357.315,218.081524973406,66608.4597078845,48911.9609750581,110448.485048092,36327.3455818242,178570.807253387,1508076.69507703,3201518.75978519,4414368.94945112,3475357.78618046,3726449.11618769,88173.4117132492,3265154.2613363,5.21066365958885,0.000175525174659531,0.000988821292508918,0.558446413377492]
["NEG05734","Angustine",37.3895,312.108592702057,0,0,0,0,17317.6979463029,18589.2829940096,52807.5599436633,67158.940384657,57212.6747381944,48045.1887515412,3463.53958926058,48762.7293624131,3.81545980972432,0.000928346283348594,0.00391744615605496,0.0652096548758416]
["NEG04500","Ampicillin sodium",302.618,370.08297716247,25501.5459448968,14458.5687473344,6603.0285060305,18418.032543439,10192.9417869756,91922.3175550606,136849.495272115,179444.608250116,125858.727916402,125723.241928335,15034.8235057353,131959.678184406,3.13371732737733,{"v":4.01439714419719e-05,"d":"4.01E-05"},0.000302806044283205,0.108426888559595]
["POS06852","Amoxicillin",34.8696,366.107531853648,17424895.583135,18407711.4279096,17716106.2381935,16214657.1691719,18057040.9588455,6711707.90093853,8550651.27040534,8593138.73291176,8824439.47511615,7683046.6360139605,17564082.2754511,8072596.80307715,-1.1215234563826,{"v":1.16294579792335e-07,"d":"1.16E-07"},{"v":6.81225862409188e-06,"d":"6.81E-06"},0.995556955610641]
["POS06784","Amodiaquine",29.78185,356.15698191161,0,0,0,0,0,310584.373027799,363619.023476945,837208.687775711,794547.613973662,624839.355578838,1,586159.810766591,19.1609345294732,0.000626419604931478,0.0028132278040748,0.236211394484494]
["POS01921","Ammeline",25.0665,128.058567271368,251339.547725598,152768.9529172,189382.153468467,328496.532073256,160555.444184633,338015.314666277,551299.351229032,308153.788929849,667591.910353738,414935.339041367,216508.526073831,455999.140844053,1.074607266997,0.012878609798204,0.037061388531137,0.136296753449161]
["POS04938","Aminopyrine",29.2568,232.139667100739,0,5004.11181874905,7030.79592803445,10623.0872319169,0,124705.063706547,223919.629971511,246109.16475195,182706.072486948,171260.225662317,4531.59899574008,189740.031315855,5.38786007841716,{"v":2.36359649522973e-05,"d":"2.36E-05"},0.000202148510959132,0.136099533298009]
["POS06554","Ambelline",37.0486,332.155363883302,107130.405904017,94807.145513758,103020.745829562,14473.6044504749,230743.817106336,181384.976069506,398844.622381454,412326.370103894,298293.689398512,317259.534689039,110035.14376083,321621.838528481,1.54740099570689,0.00444852868501772,0.0149836361506659,0.136403124277385]
["NEG06329","Aluminoparaaminosalicylate calcium",30.47445,402.999774023655,782284.510794098,1321870.54609798,1864391.16558636,888922.311393024,1572674.95112918,2262971.2285743,3109514.71496516,3329291.1720394,4046221.11314479,2979448.36863486,1286028.69700013,3145489.3194717,1.29036162753843,0.000747866450195688,0.00324777342885953,0.413326461651059]
["NEG06570","Alteichin",27.1223,349.070654278033,260836.17765464,281071.162979201,187366.368376407,211075.773719497,325336.927422254,32527.410691431,77916.3469792635,84301.8902827544,75101.8786222388,67934.1088046147,253137.2820304,67556.3270760605,-1.90575720458042,0.000106107280216863,0.000663801208965077,0.132868817991785]
["NEG05958","Alphazurine FG",34.51585,781.201726530827,5290217.38411192,6628391.90804237,5869988.69116097,4696150.63915737,5598243.964439,85534.5155278702,143664.341989835,239780.871595786,172692.978947279,62266.3435235412,5616598.51738233,140787.810316862,-5.3181023475204,{"v":1.41997630956334e-07,"d":"1.42E-07"},{"v":7.13657756480542e-06,"d":"7.14E-06"},0.757246811165541]
["NEG05723","alpha-Methylstyrene",37.4662,117.073510984741,178725.647814904,138501.233518882,166101.286706559,140257.544500221,148558.911068043,1356996.01747615,1873360.50231697,2426753.37789326,1897336.35417767,2052240.74347483,154428.924721722,1921337.39906778,3.63709598614682,{"v":7.09485542964091e-06,"d":"7.09E-06"},{"v":8.53099148838274e-05,"d":"8.53E-05"},0.42592970426861]
["POS05700","alpha-Erythroidine",401.558,274.143594672004,527091.494456971,547779.325478164,598775.129077263,439860.998275352,439973.6215274,0,9621.81173949926,35714.6907473362,23595.4409318763,8518.91987794921,510696.11376303,15490.1726593322,-5.04303995048095,{"v":2.87803103733196e-07,"d":"2.88E-07"},{"v":1.0909688838971e-05,"d":"1.09E-05"},0.22806879042614]
["POS02538","alpha-EMTBL",33.5366,145.06832465402,247296.759669071,228854.550939475,556308.02344241,260561.788996738,348246.753468779,696118.691413624,516770.585344439,1128890.89726503,1527747.89661914,806167.769504935,328253.575303295,935139.168029434,1.51037035892222,0.0122599724316393,0.0356791520408083,0.21895996215357]
["NEG02009","all-trans-8'-Apo-beta-carotel",540.813,415.306220276427,494524.375378009,1137352.53385999,752753.535087489,384347.625971342,879317.748648674,1217933.64836979,1975407.25360217,1765724.82168414,1655064.32157386,1446739.45401051,729659.163789101,1612173.89984809,1.1437127519342,0.0015327011841026,0.00600856476467216,0.281168401398015]
["NEG05812","Allocryptopine",36.6961,368.155889909571,1864574.25547067,3983451.86560945,4145149.022845,946912.405590299,5334533.78395802,9909.82749004916,29634.8110633167,49493.2169197652,18564.9386227392,34979.5001775864,3254924.26669469,28516.4588546913,-6.83468532545652,0.00386286346130749,0.0133425391987864,0.527430275412723]
["POS03509","Allantoate",27.6048,177.060483765475,6128.47270913962,0,0,0,0,481899.506266488,513809.607920869,562010.840090321,614511.718568884,458325.229541659,1225.69454182792,526111.380477644,8.74562496111324,{"v":7.03794634719705e-08,"d":"7.04E-08"},{"v":5.33706392853659e-06,"d":"5.34E-06"},0.234142831126393]
["NEG05969","Albanol A",34.5028,561.151272860021,558361.422648612,396408.067390417,794482.193967707,929323.418533915,565874.773411456,0,0,0,0,0,648889.975190421,1,-19.3076143521934,0.000128982440327743,0.000771308095703203,0.255308474637459]
["POS03824","Alanyl-Proline",37.8289,187.107100862596,252717.547542763,238814.052329299,219400.480086043,287425.643093723,346838.761538132,820531.181681255,795784.115209121,608022.195438284,726588.58127245,657500.538994791,269039.296917992,721685.32251918,1.42355300006218,{"v":9.60510505511865e-06,"d":"9.61E-06"},0.000106458833213069,0.214444292280916]
["NEG04594","Alanycarb",282.8505,398.114284103378,1227911.72199938,1307162.45405266,1269682.79887922,1425535.95304105,1176100.60404091,364675.294864382,401226.923073028,369199.295414423,342540.909360527,374773.711851114,1281278.70640264,370483.226912695,-1.79010419462415,{"v":2.68479954267774e-08,"d":"2.68E-08"},{"v":2.92905081814573e-06,"d":"2.93E-06"},0.310609857398978]
["POS06468","Akuammicine",191.303,323.170285208118,280218.338676106,288478.364449376,299191.079663405,311997.665074065,317470.375782872,91448.0345605857,92521.0703227134,112658.159098124,151864.629329842,167165.755725412,299471.164729165,123131.529807335,-1.28221686210345,{"v":6.48575399927653e-06,"d":"6.49E-06"},{"v":7.92644197780435e-05,"d":"7.93E-05"},0.133611804442028]
["POS07393","Agnuside",494.621,467.148918966717,0,0,0,0,0,51763.4405012808,114663.429682159,52023.9858132258,126719.947815896,62397.551179286,1,81513.6709983695,16.3147544195992,0.0010203988933182,0.00423399281058656,0.0859981405227606]
["NEG05925","Adifoline",34.76505,423.111632742832,746292.260914602,1210547.48224979,1451213.69037149,787035.980386331,1495913.27200094,356271.738810634,536685.408375212,515447.700211606,801573.007583789,447486.151972296,1138200.53718463,531492.801390707,-1.09863270852951,0.00871443425446677,0.0264843246777692,0.225403860598462]
["NEG05153","Adenosine",182.117,266.089149577044,1157492.51401736,1387521.0549146,997366.4799662069,1532511.84752991,983767.501070332,476923.045914772,300227.721313004,320226.353014366,332735.375420396,228802.117382917,1211731.87949968,331782.922609091,-1.86875897276662,{"v":6.25083452543304e-05,"d":"6.25E-05"},0.000423636103519121,0.297284163874947]
["NEG05098","Acutumine",191.711,396.123151996357,6858.07803825287,0,0,12200.677239493,0,103284.23891627,127062.814835766,88193.1384847304,105567.471480426,145828.23667693,3811.75105554917,113987.180078824,4.90227386582936,{"v":5.46761110998347e-06,"d":"5.47E-06"},{"v":7.15105979384681e-05,"d":"7.15E-05"},0.106467491614518]
["POS07652","Acrithrin",34.9673,542.140484006797,1096833.74519008,786765.943056869,968148.995807812,816136.146294073,738123.693595079,0,98636.9158851074,0,75569.3834006237,0,881201.704788783,34841.2598571462,-4.66060358837652,{"v":1.95026850255578e-06,"d":"1.95E-06"},{"v":3.58918269999882e-05,"d":"3.59E-05"},0.295498632400136]
["NEG03358","Acetylbrowniine",444.772,508.303921551655,1580.42475766328,6917.30333586974,8359.07785800187,2777.33193133361,11900.3297067722,145377.692897996,176563.129978219,264853.296336672,217369.757668894,215394.099153206,6306.89351792814,203911.595206997,5.01487042896088,{"v":1.05158563703827e-05,"d":"1.05E-05"},0.00011444629086307,0.142251097014143]
["NEG06429","Acetamiprid",29.48965,221.05946562093,12623826.5066184,8920714.5402478,10161805.3014238,12900981.106359,12521457.8323043,1220587.77193027,1694161.37378227,1736920.92699036,1289589.71173121,1619419.75374014,11425757.0573907,1512135.90763485,-2.91763004281495,{"v":1.73561265181573e-06,"d":"1.74E-06"},{"v":3.37538930068337e-05,"d":"3.38E-05"},1.00540690252626]
["NEG05749","Acadesine",37.2035,257.088767777584,3525.23768777252,0,0,3336.11213364633,2902.82090054303,55025.6344221835,60009.5404965663,75979.0913192288,70628.4023058478,69995.6257757431,1952.83414439238,66327.6588639139,5.08596927423424,{"v":1.86599778037616e-07,"d":"1.87E-07"},{"v":8.60475058930162e-06,"d":"8.60E-06"},0.0822797828892762]
["NEG06508","9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione",27.861,393.108159690529,208654.148581862,155300.643628035,95063.6332661554,109945.030581073,115030.489846757,299822.547978519,387892.352950967,496384.420272242,409354.662330734,288886.335970872,136798.789180776,376468.063900667,1.46047202421838,0.000554431186183107,0.00253835281043709,0.151079258472426]
["NEG04585","9-Aminocamptothecin",284.8765,362.122756400379,0,0,0,0,0,19170.7854964836,24851.7985310043,33992.7656109397,35163.8453806797,29651.9811833432,1,28566.2352404901,14.802023294796,{"v":1.12960519302568e-05,"d":"1.13E-05"},0.000120983482245725,0.0540306932628477]
["NEG05187","8-Oxocoformycin",177.943,281.0888165991,736673.735095139,780280.867011372,792456.43505237,690173.838704603,726219.364393794,41723.7981651785,115548.062853519,126132.418022212,98996.269491594,105275.316286432,745160.848051456,97535.1729637871,-2.93355739478247,{"v":3.47932041246124e-09,"d":"3.48E-09"},{"v":1.02728541640847e-06,"d":"1.03E-06"},0.261554992023148]
["POS05492","8-Deoxylactucin",31.48755,261.116598996523,1920791.94064252,1944119.07323901,2061724.42668496,2021573.07311212,1370455.58202388,493267.326839195,532081.58050562,645164.597448611,522516.357992572,616268.826656739,1863732.8191405,561859.737888547,-1.72991312551924,{"v":8.04963493228711e-06,"d":"8.05E-06"},{"v":9.25711711859332e-05,"d":"9.26E-05"},0.367402345692512]
["NEG04785","8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol",242.683,559.162006311838,0,829.13348501633,0,0,925.979379893163,14018.381515283,41742.6774266322,83595.5981688655,42492.3183648086,58873.7378915916,351.022572981899,48144.5426734362,7.09966465538249,0.00306509909803036,0.0109157549884473,0.0652917680797133]
["NEG05198","7-Methylinosine",175.668,282.092176712149,71527.6170137681,79940.5364241073,64883.6105978061,67382.150914993,54114.4297167723,1466.17052011701,12503.5243700124,6188.34654067496,13110.9739192601,2662.26906507378,67569.6689334894,7186.25688302765,-3.23306337389075,{"v":1.67309493033274e-06,"d":"1.67E-06"},{"v":3.2968077636028e-05,"d":"3.30E-05"},0.0792474280749507]
["NEG06046","7-Methyl-1,4,5-naphthalenetriol 4-[xylosyl-(1-&gt;6)-glucoside]",32.63925,483.148402982346,8857013.78495444,8199076.6005942,6711342.35843487,803653.407140206,10532394.5925616,213310.710091172,1401078.45208091,2452847.49549649,1612349.41562006,1989213.338828,7020696.14873706,1533759.88242333,-2.19454145084882,0.0125391119508949,0.0363496096930348,0.639594353463288]
["POS03088","7-Mercaptoheptanoic acid",37.3344,163.078850745958,631905.102602545,478511.289783822,375766.641493172,525877.160798367,285100.822873077,1619713.57596253,1746510.36415838,2100075.88350317,2072058.36128553,1628039.64157469,459432.203510197,1833279.56529686,1.99650291605017,{"v":3.373744354794e-06,"d":"3.37E-06"},{"v":5.16806797910738e-05,"d":"5.17E-05"},0.37585580169211]
["POS06334","7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one",185.599,311.12260608946,4359.37064821,0,4874.74717108774,5030.92881732503,0,150070.023603193,252469.792245669,299835.068874111,294615.692391498,212840.060215281,2853.00932732455,241966.12746595,6.40617682682329,{"v":2.64101752011342e-05,"d":"2.64E-05"},0.000219184263377235,0.154856241900658]
["POS06821","7-Deoxylogate",34.9366,361.152238007361,65877017.9718053,56182533.6899701,51427708.2949641,75252314.4531645,49028796.2133586,7874136.50917951,8357913.52025589,6958490.98598918,6538381.34244435,6559215.7985547,59553674.1246525,7257627.63128473,-3.03662057380091,{"v":5.09217076074228e-06,"d":"5.09E-06"},{"v":6.7707820056249e-05,"d":"6.77E-05"},2.31547848065709]
["NEG05059","7-Chloroemodin",192.249,303.00746231141,63378.2522545991,82952.9616529562,51570.3403011931,97475.5822562319,52795.7538318335,2473799.1511176,1004213.95636565,2629560.17530171,1340342.10557171,2866408.16548087,69634.5780593628,2062864.71076751,4.88870152242946,0.000688995438204013,0.00304834480226167,0.437186598005305]
["POS05927","7-Aminoflunitrazepam",303.145,284.117233453465,0,0,0,0,0,170279.79372303,152982.22920051,249762.697787581,346863.926231471,251941.207452671,1,234365.970879053,17.8384035851186,0.000141364909148571,0.000829823147797321,0.152129023176379]
["NEG06151","7-Aminocephalosporanic acid",32.1125,271.036669461282,929743.144130924,752693.886462043,1029191.99695884,1044053.08868227,1187308.7708459,1804876.64428119,2182322.66970364,2367084.21882522,2055194.84889486,2007669.57845143,988598.177415995,2083429.59203127,1.07550419421405,{"v":1.46525503870878e-05,"d":"1.47E-05"},0.000144669708039532,0.333086039789834]
["NEG01236","7',8'-Dihydro-8'-hydroxyreticulataxanthin",599.753,489.342904366127,7575.74116799609,27409.1412828266,44460.3796761592,0,8262.39975193429,45477.3123141646,503438.132466629,339645.192509135,669439.700376233,211881.205068235,17541.5323757832,353976.308546879,4.33480611677637,0.0151326292488578,0.0426043208433986,0.159984961635406]
["NEG04004","6'-Oxogentamicin X2",394.021,479.241202530162,3708.02184535032,12502.1390539215,8459.64108356011,7088.46201476875,3051.62638871433,27287.061906877,57731.7869649,85114.1910999941,69174.7698359698,56460.1176164541,6961.978077263,59153.585484839,3.08689644125376,0.00063457636059281,0.00284414835764694,0.0698874529650141]
["NEG06476","6''-O-Acetylholocalin",28.33615,352.098040043772,61101.0788771425,53924.3945525299,34176.5690688654,47546.4781281379,66791.0188884285,115701.162259314,77999.8028719222,134786.687656726,107873.860022109,111940.56122107,52707.9079030208,109660.414806228,1.0569515014957,0.000738002092098931,0.00321117058167171,0.0745390202933044]
["NEG05100","6-Nitrochrysene",191.584,272.073219599976,7846.8247952756,9496.05565204789,7312.45389708493,6838.25207637885,8783.33792269804,120765.839276997,79038.0003040352,81783.0368999406,31585.7700592531,63901.8234261097,8055.38486869706,75414.8939932671,3.22682405081807,0.00161145315589513,0.00625154376957408,0.0778476902650439]
["POS04409","6-Methoxymellein",25.0173,209.076374060697,2244139.13672835,1370370.86795283,1264615.80425952,1724676.86011071,1555725.53102604,2456917.41191451,3104999.21717084,5491119.54430018,3628837.15679635,4096369.87502492,1631905.64001549,3755648.64104136,1.20250445799398,0.00436934121835397,0.0147613770919164,0.434784077754415]
["POS08007","6''-Feruloylspinosin",34.65915,785.21905380537,1680989.53727307,1296368.52571558,1383107.83753796,1037847.18556682,2071874.70844064,241254.608519523,311195.907713186,273933.386299598,385875.699063963,274108.96593112,1494037.55890681,297273.713505478,-2.32935261341326,0.000154770236533262,0.000893273894210684,0.336053788715075]
["NEG05832","6-Epi-7-isocucurbic acid glucoside",36.5832,373.183744418091,0,0,0,0,0,141538.970400509,191656.263438376,194058.565520024,162741.176713378,152464.285720842,1,168491.852358626,17.3623193041466,{"v":2.28836357490446e-07,"d":"2.29E-07"},{"v":9.74842882909299e-06,"d":"9.75E-06"},0.132269352684821]
["NEG05874","6-Deoxyjacareubin",35.60455,309.075621009098,133524.295211805,201459.011886814,114299.477142615,150849.999287861,117876.383757344,283127.397816466,316583.539901237,371601.096324801,320456.95257634,329107.817121549,143601.833457288,324175.360748079,1.17470027253731,{"v":2.84476816073471e-05,"d":"2.84E-05"},0.000230518985198666,0.134811281956764]
["NEG06069","6-Demethylsterigmatocystin",32.3889,309.036885448239,18089.3662981211,0,91293.3465527725,176316.072012392,54931.0490275844,750399.318414147,1347364.58222098,1421799.17540523,889572.936102565,1302642.03325973,68125.966778174,1142355.60908053,4.06766321523971,{"v":5.41507427951016e-05,"d":"5.42E-05"},0.00037846292581639,0.326687479974075]
["NEG03324","6'''-Deamino-6'''-hydroxyparomomycin II",449.355,615.279442939849,6416.98760353878,8892.488923779,2949.51328420386,1669.59322417112,1707.32947195634,32202.1861979569,52735.8366464304,59657.5807139406,57141.7147355567,53937.5299059658,4327.18250152982,51134.9696399701,3.56281036994901,{"v":1.5863342740286e-05,"d":"1.59E-05"},0.000151293671806608,0.0690120013361779]
["POS06007","6beta-Hydroxy-17beta-estradiol",450.2865,289.175781738961,16550.3190594632,30536.7011216023,0,9127.8878377651,22347.6268789667,99201.0174502009,327657.836676723,274420.223649668,185752.73988726,219694.617010809,15712.5069795595,221345.286934932,3.81631336410929,0.000788379410639912,0.00340388137431692,0.138212541329543]
["POS07159","6-Amino-6-deoxyfutalosine",199.661,414.131503462994,0,0,0,0,0,93783.4527045123,288348.162197623,250462.775576387,232530.303031408,245240.42139582,1,222073.02298115,17.7606746220486,0.000160780040634253,0.000920831141814358,0.147067983004897]
["POS07593","6-{3,5-dihydroxy-2-[3-(3,4,5-trimethoxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid",35.1317,525.164864398652,1069501.87075595,1272792.35630471,836355.676790361,915092.555309794,886142.684596271,0,25910.2621284959,0,56136.6077124601,0,995977.028751417,16409.3739681912,-5.92352036335823,{"v":1.87079327027496e-06,"d":"1.87E-06"},{"v":3.53082628605059e-05,"d":"3.53E-05"},0.316962325104716]
["NEG03676","6-{[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid",411.8985,550.187094920752,253366.858993785,79553.5602526577,113149.408809283,298088.434820142,181777.387760082,2650.10258283982,1460.08119763851,2172.70294806608,0,12359.6216070638,185187.13012719,3728.50166712164,-5.63424404288536,0.00225447823612519,0.00836869804994854,0.125680820468343]
["NEG03899","6-{[(16R)-5,11-dihydroxy-8,8,10,16-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12-methylidene-9-oxo-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid",403.852,679.307571723698,53726.7357020857,67591.8339345184,74761.4211902878,81780.3455245071,66543.0869334243,9734.14741755529,28658.3705471079,37043.8470927032,31779.4080115015,26198.8903432722,68880.6846569647,26682.932682428,-1.36818224308154,0.00020345507684218,0.001123261419468,0.0648076818079231]
["POS07974","6-[4-(5,7-dihydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",34.81705,753.198937299266,539751.749829354,287993.993132336,496637.509973542,248539.004070205,775721.79466303,38010.7340026673,147574.504135044,46418.8554796901,121842.156225697,79560.8795951743,469728.810333693,86681.4258876545,-2.43803329181665,0.00436923324769674,0.0147613770919164,0.177910984892875]
["NEG05082","6-[2-(6-carboxy-5-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-3-methylcyclohex-3-en-1-yl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",192.002,665.181690020206,0,0,1077.49223586833,1166.23480663004,0,525589.729029545,230457.625233552,518601.29736536,408087.719725082,461107.596488873,448.745408499674,428768.793568482,9.90008701522736,{"v":4.6229579481695e-05,"d":"4.62E-05"},0.000336235624425401,0.207978313621108]
["POS07062","6,8-Di-O-methylaverufin",222.5785,397.124255781092,0,0,0,0,0,37475.5601181132,78641.5521159404,68643.1467424994,136138.329591141,52497.57738051,1,74679.2331896408,16.1884194935198,0.00222208513173541,0.00828282232854374,0.0812293873773805]
["NEG05791","6-(alpha-D-Glucosaminyl)-1D-myo-inositol",36.8922,340.124637553896,95968.6125290816,266431.924827741,202645.967816492,48929.96206994,255593.101557104,367272.501604537,1106332.48495147,1226591.89158246,1585908.4190737,967260.287479764,173913.913760072,1050673.11693839,2.59486862772069,0.00262294297397307,0.0095153478690848,0.278382534331437]
["POS07551","6-(5-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxycyclohex-1-ene-1-carbonyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid",34.5657,513.120013055914,1535693.21422534,1055350.7033003,428878.049615599,763171.662180822,829393.567466183,66224.7221107643,25402.6576877386,0,0,0,922497.439357649,18325.4759597006,-5.65362233213067,0.00116006584652052,0.00474312114395456,0.281081574670688]
["POS07946","6-({4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid",34.6015,723.192737980793,935992.254923985,674091.480205237,631622.459542217,541483.852629422,999164.856287969,103599.689757814,72717.9781439047,168715.389880199,27560.8944595228,98530.847257112,756470.980717766,94224.9598997105,-3.00510355868916,{"v":9.454572901188e-05,"d":"9.45E-05"},0.000604147208385913,0.250468555824227]
["NEG04190","5'-S-Methyl-5'-thioinosine",365.987,297.066543824295,1229.90594704304,5022.92488242104,3060.50813529654,6249.03050975747,2663.4750056361,10713.3383031748,60767.5266814331,48514.8251575404,42261.3958098517,22529.2131854965,3645.16889603084,36957.2598274993,3.34180022566163,0.00624457342424031,0.0199087504822715,0.0521229565885613]
["NEG06498","5'-Phosphoribosyl-N-formylglycimide",28.0731,313.044021740586,0,0,0,0,4978.3134557324,42836.1893817665,37679.1947728953,53594.4376447073,62167.254889218,16516.7600794548,995.66269114648,42558.7673536084,5.41765548449423,0.000725003194134009,0.00317412735271433,0.0619526603557939]
["NEG01702","5-Phosphonooxy-L-lysine",557.9535,241.056045954103,1161077.78356767,1602172.01526408,1210196.97350876,1132988.84060921,1332559.7805037,2713456.79200769,3658620.43212185,4181396.64718951,4224002.22234012,3811208.87101891,1287799.07869068,3717736.99293562,1.52951718908668,{"v":2.84359034621389e-05,"d":"2.84E-05"},0.000230518985198666,0.495177453442161]
["NEG05154","5'-O-Desmethyl omeprazole",182.0865,330.088657506891,483810.813132563,559287.140776722,364546.345899575,674172.859103532,354423.385054947,161300.857459651,87305.6045847797,91232.1727094893,94365.1557210297,51333.1013215094,487248.108793468,97107.3783592918,-2.32700376283131,0.000259441323359027,0.00135570214881417,0.195002520171397]
["NEG04528","5-Nitro-2-(3-phenylpropylamino)benzoic acid",294.95,299.103452839417,0,1071.54817681624,1832.44133718615,1295.41585617617,2167.02414149509,39274.6476340586,58134.1119437011,66752.4863515572,76012.8119310433,58186.0703855335,1273.28590233473,59672.0256491787,5.550426449978,{"v":1.15288136972291e-05,"d":"1.15E-05"},0.000121911072500486,0.0770422713377456]
["NEG06160","5-Methylcytidine",32.10935,256.091107743004,67142.3995927609,83573.9721780342,70545.3367758956,63635.3592333374,85791.9422099295,385725.698348199,720156.07231638,637386.70450462,622367.745657303,664969.022373137,74137.8019979915,606121.048639928,3.03132469501486,{"v":1.55944277722097e-05,"d":"1.56E-05"},0.000150655976334945,0.23221154965224]
["POS05131","5-Methyl-2'-deoxycytidine",37.3763,242.112562421214,15891.3699727369,15076.2476739588,16862.5412375013,0,28840.8676013291,616377.723598232,732005.820746868,915925.919251678,891236.672720026,1030369.71340263,15334.2052971052,837183.169943887,5.77071800384658,{"v":3.49363608015094e-06,"d":"3.49E-06"},{"v":5.29729972424243e-05,"d":"5.30E-05"},0.292271337690053]
["POS04951","5-Hydroxyxanthotoxin",43.9556,233.044869834725,262305.968697609,331873.306904581,194829.736898599,183263.666560549,205949.128884052,46747.4133968478,44670.0554174309,36319.3174193826,28956.7728290244,43552.0571016665,235644.361589078,40049.1232328704,-2.556768597304,0.000109206350824798,0.000677503477447049,0.137767226036665]
["NEG05068","5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside",192.248,649.208859517987,1167.90444067709,0,0,0,0,1583033.76779879,2366563.27444304,2632593.60025075,2465767.10310535,2383953.82007937,233.580888135418,2286382.31313546,13.2568568047898,{"v":1.51399073625179e-06,"d":"1.51E-06"},{"v":3.05048674020462e-05,"d":"3.05E-05"},0.486561468379559]
["NEG06174","5-Hydroxy-1-(4-sulfophenyl)-4-[(E)-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylic acid",31.88085,466.990381358919,70122.6649913683,180423.320124742,142225.429369997,90438.1649342896,212265.666753294,240261.033498167,718460.461719269,862434.695039705,822427.345699273,671069.883314504,139095.049234738,662930.683854184,2.25278695836887,0.00179387687282313,0.00686987264737832,0.217600887193341]
["NEG06213","5-Hexenyl glucosinolate",31.37475,400.077408863939,1029718.47335317,681576.14694401,469336.690309324,1150306.28739097,573979.846556777,31074.9079541829,64946.625453221,52141.0172337674,15375.7099335779,51979.317528139,780983.48891085,43103.5156205776,-4.17941459937945,0.000522035234398063,0.00242982685063739,0.262233295453489]
["NEG05757","5-Guanidino-2-oxopentanoate",37.16065,172.071532852215,123618.210702863,324515.972482334,229902.974402536,136563.406360316,157599.051737976,332722.138305995,595051.819191356,647073.980972822,502374.281517068,588698.620241119,194439.923137205,533184.168045672,1.45530947386617,0.000952627377781568,0.00399893073107741,0.176174737496771]
["NEG04911","5-Formiminotetrahydrofolate",206.795,471.17140957016,39126.2776139682,40764.5597506115,47576.2234436278,38333.9376921516,30927.2534793365,0,0,0,0,0,39345.6503959391,1,-15.263916536272,{"v":4.31646082117861e-07,"d":"4.32E-07"},{"v":1.43794674748864e-05,"d":"1.44E-05"},0.0644660248829861]
["NEG06154","5-Fluorouridine",32.1124,261.058779973484,1150917.62440185,1533769.73681279,2102960.85777002,1424279.71911348,1634468.87593134,2747556.36846023,3426256.36097644,3934119.97691666,4411321.12062929,3498650.48827435,1569279.3628059,3603580.86305139,1.19932901580557,0.00021005731410296,0.00114863858922071,0.440613387747738]
["NEG06027","5'-Deoxy-5'-fluoroadenosine",33.0427,268.085811789685,160625.419206214,1252884.60487851,1926016.03237711,570160.101973418,1283929.94646983,2372567.09767999,7912568.20068735,8049754.41451055,10555096.5658779,6510322.21701185,1038723.22098102,7080061.69915353,2.76895064894304,0.00235400890563138,0.00869787078869207,0.728582298719505]
["NEG05864","5-Aminolevulite",36.14675,130.049496066361,161458.965771632,163882.883508666,257626.191018245,152118.436429945,143666.364467064,352190.746764248,644958.646152378,582135.896354624,486748.619218055,495809.255563669,175750.56823911,512368.632810595,1.54365280279765,0.000240810728038543,0.00127623979445072,0.178414179981881]
["POS04118","5-Acetylamino-6-amino-3-methyluracil",28.3683,199.083646004288,72479.0487975289,105690.771312946,97222.9505269789,144997.191764051,71177.3529810537,94758.5853859742,32632.6358304907,32148.1777608401,28824.8069526289,6435.31849827575,98313.4630765117,38959.9048856419,-1.33539883789024,0.0179308976994152,0.0488161323247013,0.0696467028422103]
["POS04385","5-(alpha-Phenylethyl)semioxamazide",204.8815,208.104012466665,12287.1841380335,0,5792.34289313655,7796.84150585055,0,1999976.81967549,3303520.61872845,2983166.11665054,3141064.80090381,1857220.11077445,5175.27370740412,2656989.69334655,9.0039417509879,{"v":2.24760622789193e-05,"d":"2.25E-05"},0.000194459239020514,0.513639641794062]
["NEG06540","5-(4-Chloro-3-hydroxy-1-butynyl)-2,2'-bithiophene",27.73105,266.967257772981,5477111.89205883,6183151.68131712,4041311.57568467,4287018.24030708,4380548.99896404,1723280.27663032,1746681.53180075,1339812.21470297,1149879.552879,1220933.17388624,4873828.47766635,1436117.34997986,-1.76288183842959,{"v":4.29227009118288e-05,"d":"4.29E-05"},0.000318013234531423,0.58294051638145]
["POS06989","5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide",189.32,385.116737234271,120549.724092501,121575.053686663,22520.1397548544,131629.41283836,41320.4189492471,0,0,0,0,0,87518.9498643251,1,-16.4173078069553,0.00516599081698964,0.0170660834005869,0.0854687232935336]
["NEG06642","5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene",25.6707,333.026712127942,1743942.5623308,1748423.92433207,1585525.21295879,2208491.72885891,1363714.20778816,423307.356063221,478914.728312084,399873.150261194,387497.347105151,452629.23302322,1730019.52725375,428444.362952974,-2.01360854636882,{"v":1.4338713260105e-05,"d":"1.43E-05"},0.000142210785836917,0.365220936470139]
["POS06142","4-Prenylresveratrol",450.4985,297.145556562495,173498.860631337,256558.676737607,173164.890706046,126776.862878822,212434.470633653,702032.88543654,1141165.3623707,1288875.1879124,1078879.84950996,1064689.05176748,188486.752317493,1055128.46739942,2.48488363209771,{"v":2.3061692397652e-05,"d":"2.31E-05"},0.000198757129276874,0.295930698292458]
["POS06965","4-Methoxybenzyl O-(2-sulfoglucoside)",34.6027,381.077953266191,48364034.6418705,38579215.5902165,40218912.2176392,35758938.1244743,55972786.1545785,13245130.6063082,14350554.786852,23661663.0176383,21742790.7198533,20489959.6933973,43778777.3457558,18698019.7648098,-1.2273461755432,0.000355400096841146,0.0017663384813005,1.51439582644394]
["POS06365","4-Hydroxycinmyl alcohol 4-D-glucoside",190.262,313.132584558381,587182.9488081,678910.604780871,636812.972473173,544553.491323973,435127.325104031,12381.1305105954,53182.2871753553,24279.3023858165,50211.7824803339,56444.4300755313,576517.46849803,39299.7865255265,-3.8747709412754,{"v":1.54735688091656e-06,"d":"1.55E-06"},{"v":3.10373422795505e-05,"d":"3.10E-05"},0.236925875850969]
["NEG05903","4-Hydroxy-6-methylpretetramide",35.03435,380.085902888121,1874167.06617466,1918502.86345168,1778977.73621363,1887510.65256323,2203307.30479753,445545.593348336,274722.222118166,440355.920600476,474381.92988059,427055.002249944,1932493.12464015,412412.133639502,-2.22830459719558,{"v":5.98411270073425e-08,"d":"5.98E-08"},{"v":4.86303104197569e-06,"d":"4.86E-06"},0.39681455571347]
["NEG00668","4-Hydroxy-4-methylglutamate",673.0475,176.05656417847,1112083.28550525,1259065.13995424,1342680.6024622,1402740.91127203,1593407.73602573,282079.530854394,297606.728617177,419661.417214989,369969.829813085,304087.376982597,1341995.53504389,334680.976696448,-2.00352141602983,{"v":2.10081882401945e-06,"d":"2.10E-06"},{"v":3.77388056218433e-05,"d":"3.77E-05"},0.322528143383984]
["POS04323","4'-Hydroxy-3'-prenylacetophenone",437.811,205.121619846309,16344731.4902104,16304040.5866003,13883221.1665234,13941775.9237659,12890324.1109652,3781844.47797355,5667513.57969302,6198748.26610887,5265071.37979752,5713727.83290188,14672818.655613,5325381.10729497,-1.46218936041473,{"v":2.95861602361714e-06,"d":"2.96E-06"},{"v":4.67628603308816e-05,"d":"4.68E-05"},0.976961228008473]
["NEG00502","4-Hydroxy-2-oxoglutarate",675.3025,161.007887906645,12150825.1870977,551155.817089434,503515.570623713,15633165.1768325,453188.513757754,15183502.3873726,17677678.7924189,17985660.3052563,20912736.5643378,16854774.2108109,5858370.05308022,17722870.4520393,1.5970410549697,0.00889323751786822,0.0269691196050336,0.990104882572353]
["NEG06463","4-Fluorocyclohexadiene-cis,cis-1,2-diol",28.6081,129.037220590964,10790368.4074972,9039609.32426107,9782019.75313535,15018769.7612926,8260601.65649982,145167.842454767,6880037.90285609,6718063.91443208,6557901.04530751,237983.221984819,10578273.7805372,4107830.78540705,-1.36465556113955,0.0117160624631667,0.034342036302585,0.733341040999808]
["NEG05201","4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine",175.323,378.102751911257,93553.2799139836,83775.8413820299,62599.781072354,70839.4046788001,60591.821347813,0,0,4072.04704705427,1124.5273612447,0,74272.0256789961,1039.31488165979,-6.15911420710115,{"v":2.94472125682898e-06,"d":"2.94E-06"},{"v":4.67082914248086e-05,"d":"4.67E-05"},0.086262841926358]
["POS02847","4-Chloroacetophenone",24.9749,155.029541927967,408461.467784232,330151.902946662,327601.861394712,362770.159398278,299460.402122363,515909.464418689,672160.01291148,815475.112491235,769193.323976925,734641.42229023,345689.158729249,701475.867217712,1.02091811237176,0.000198973112945563,0.0011014934829276,0.186897097183253]
["NEG06363","4-Carboxy-4'-sulfoazobenzene",30.231,305.022860676568,616529.656860517,1156971.66701366,1646608.16011831,857679.092923039,1282642.52905234,2666416.80320226,3310427.31952877,3374409.05992578,4406671.37493976,3139329.89399348,1112086.22119357,3379450.89031801,1.60352020338063,0.000144278578835392,0.000841405584264284,0.466791922811458]
["NEG06073","4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine",32.3857,218.032369860634,2336027.39035943,2407075.75864399,2857433.32783703,3022879.12438656,3134085.97822856,4625240.16694997,5584472.4011247,5632957.52875084,6477632.74551619,5619255.94726484,2751500.31589111,5587911.75792131,1.02209074416274,{"v":2.89341487701713e-05,"d":"2.89E-05"},0.000233543393740826,0.53288942743846]
["POS03739","4-Amino-2-hydroxylamino-6-nitrotoluene",454.777,184.072141521099,67158043.5432462,75634874.221844,68893296.0838624,62830172.1948258,63865978.7656412,12854762.9672385,14657075.6880516,15079856.5052269,11978118.7778243,12624822.5832269,67676472.9618839,13438927.3043136,-2.3322363959472,{"v":1.31636922406475e-08,"d":"1.32E-08"},{"v":1.89939339975536e-06,"d":"1.90E-06"},2.39148699577982]
["NEG06055","4a-Hydroxytetrahydrobiopterin",32.5079,256.110466968393,51954.3101922033,83066.6598426156,70560.425268518,57689.6237303047,85540.2565533561,343319.602901243,576775.694389821,487054.897860688,591674.421661652,595134.342905015,69762.2551173995,518791.791943684,2.89463707200866,{"v":1.52144233411085e-05,"d":"1.52E-05"},0.000148585363918499,0.213557529060062]
["POS04989","4,5-Dihydroxypyrene",35.6715,235.078089418248,620456.641747368,721862.120665338,1130136.01454663,546949.057581198,1049545.72394065,1779704.19472373,2189471.58128714,1811282.91868015,2395441.40661621,1584014.77095942,813789.911696237,1951982.97445333,1.26221216852249,0.000309923244582941,0.00157711794427701,0.326773489606463]
["NEG04016","4',5,6-Trimethylscutellarein 7-glucoside",392.5915,489.135407994053,0,0,0,0,0,52831.4106875071,117110.742079776,180516.010954451,61155.163568767,107188.939007409,1,103760.453259582,16.6628971613164,0.00192296599077599,0.00728934481079747,0.0967541539931525]
["POS05650","4,4'-Dinitrostilbene",330.165,271.070281808512,0,0,0,5535.34275334101,0,247777.314812641,317546.28584789,381740.372800178,273680.343222229,253866.411650126,1107.0685506682,294922.145666613,8.057445790186,{"v":2.46163342926394e-06,"d":"2.46E-06"},{"v":4.17079027617334e-05,"d":"4.17E-05"},0.173592035149894]
["NEG00368","4,4',6,6'-Tetranitro-2,2'-azoxytoluene",676.784,405.036184424661,378979.13977956,1660136.61806544,892226.164781123,721189.002978507,780622.456806681,2257000.72037488,1878661.04594308,2503812.88341062,2357555.39141325,2224587.3285575,886630.676482262,2244323.47393987,1.33987544211092,0.000421455610804231,0.00203319847345838,0.357153367254659]
["NEG06421","4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-mucote 6-semialdehyde",29.678,228.048275032948,115699.698967811,83813.1876019574,86819.1386466049,109761.503504352,117044.064008448,321294.788653155,419840.942003782,473445.212131954,304296.8394598,391645.197140892,102627.518545835,382104.595877917,1.89654998313911,{"v":2.37799693095433e-05,"d":"2.38E-05"},0.000202991989926693,0.168326245913717]
["NEG04109","4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol",379.784,520.079132550591,12611.6562025917,14351.7305890363,28150.7391613758,8726.62046177081,8454.579880879,37952.1442665956,64848.4719937505,138200.340789919,232869.138056831,196639.856352629,14459.0652591307,134101.990291945,3.21328445540192,0.0126400271068324,0.0365474086935108,0.098594935030254]
["NEG06560","3-Phospho-D-erythrote",27.3568,214.995386269754,1419405.45649681,1473675.07176431,1372938.29306781,1205969.76230973,946063.807897229,252781.820683898,618567.004829483,555561.677266992,575068.290066369,463851.606335569,1283610.47830718,493166.079836462,-1.38006199260494,0.000132995780583652,0.000788978947679943,0.279995799193346]
["NEG04482","3-Oxohexadecanoic acid glycerides",309.9225,360.250299345237,1266.56087485402,23916.7460482393,29103.704172685,18403.5936735119,19787.50504255,48280.7198234888,43548.0215629685,61216.0503788068,19554.4770709344,44156.983675415,18495.621962368,43351.2505023227,1.22888979419659,0.0164498605208223,0.045619038362857,0.0429594129883146]
["NEG04609","3-Oxo-carbofuran",279.895,234.07663088334,0,0,0,0,1013.49202068573,56283.0964999774,148584.929528185,205179.257965788,177716.142299942,158254.351635147,202.698404137146,149203.555585808,9.52373147033589,0.000353129053769611,0.00175896019767425,0.119687734249914]
["POS07667","3-O-alpha-Mycarosylerythronolide B",495.698,547.354996688044,0,34175.3459351369,42825.313128213,28458.9036107834,63865.8721908713,49923.9529933389,98409.3534183973,179146.644894078,200473.048037713,102100.557182774,33865.0869730009,126010.71130526,1.89567576650266,0.0146200269057812,0.0413371557203283,0.0847497157723074]
["POS02042","3-Methylcyclohexanethiol",27.1867,131.089250491622,4440636.67504313,3199749.29794203,3434090.96482659,3781295.6768671,3418127.7521141,604907.175619568,793504.476269542,804970.267809109,724165.117750175,735945.510864511,3654780.07335859,732698.509662581,-2.31849300822182,{"v":9.96090638555918e-07,"d":"9.96E-07"},{"v":2.39543732594657e-05,"d":"2.40E-05"},0.547023196636463]
["POS02698","3-Methyladenine",37.0069,150.076956947376,2071636.51924577,1975996.28634486,1645164.47905046,1927499.56254577,1490632.06414159,720711.077605865,294142.079447979,693102.20384872,799933.432861665,713952.477507157,1822185.78226569,644368.254254277,-1.49971273322841,{"v":3.21043844378264e-05,"d":"3.21E-05"},0.000252377700510364,0.341696899447642]
["NEG02534","3-keto Fusidic acid",521.6055,529.319783399282,69504.2048116179,94108.052660107,55047.7011766309,55047.9883535138,55571.6982467889,128324.484954223,131604.018689179,123921.252702072,225270.003138456,93264.6317211917,65855.9290497317,140476.878241024,1.09294745177088,0.0131602071408637,0.0376138060965389,0.076281427500824]
["POS06293","3-Iodo-L-tyrosine",88.88255,307.981448143517,352002.959468871,252170.805781642,305923.950450848,255034.784668908,70902.5177603743,4439.95509565238,22919.5151142077,0,0,0,247207.003626129,5471.89404197202,-5.49753551253966,0.00100058615742735,0.0041721845663496,0.150809299881523]
["NEG06168","3-Hydroxyquinine",31.93785,339.17684482877,579649.236939254,543244.815074572,405770.601141963,844477.739011496,323034.392245775,84712.9773386663,98294.8344319647,77612.1893250051,0,32765.8529999794,539235.356882612,58677.1708191231,-3.20004387829128,0.00075232782888795,0.00326397902872532,0.213320723457747]
["POS08032","3-hydroxypropanoyl-CoA(4-)",34.8702,836.124991379742,2059261.78810388,1332351.97880826,1830114.54922548,1797896.50165599,1843092.97550934,146902.519002793,328573.409482058,83265.7006319844,162395.467515915,124412.689187687,1772543.55866059,169109.957164087,-3.38978756784305,{"v":1.41437762785229e-06,"d":"1.41E-06"},{"v":2.92404658096148e-05,"d":"2.92E-05"},0.406097259193713]
["POS06224","3-dehydrosphinganinium(1+)",421.745,301.292045591628,54127.5063045496,23679.7729299418,115610.233379146,96307.6748639718,28088.3417418017,250943.56281719,589692.36686817,415190.977525825,735043.04443775,334435.490773637,63562.7058438822,465061.088484514,2.87116778890152,0.00205212690315916,0.00771358288893355,0.187135681427683]
["NEG06472","3'-Deaminofusarochromanone",28.34465,276.127891700609,1112701.75183206,1299786.11080976,1051969.58503983,1303645.09236642,1296986.77608719,25045.6742734289,35151.7177193736,32209.7241628376,59299.9400307525,15867.4702447695,1213017.86322705,33514.9052862324,-5.17765412913801,{"v":2.25394397941035e-08,"d":"2.25E-08"},{"v":2.72483551889256e-06,"d":"2.72E-06"},0.351524802655752]
["NEG04136","3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester",374.8185,423.234606038636,50796.904424123,48761.2584560757,74858.988426738,54943.6500765122,44871.8204148383,0,0,0,0,0,54846.5243596574,1,-15.7431125790665,{"v":6.20980519248687e-06,"d":"6.21E-06"},{"v":7.71242276363498e-05,"d":"7.71E-05"},0.0757549123444752]
["NEG05717","3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole",37.5892,274.060731225776,38309.76777596,10733.7690377935,17534.2865865438,5340.32883984786,0,391464.388194088,395571.59711362,548017.926053967,482298.456827556,511669.211708975,14383.630448029,465804.315979641,5.01722424206092,{"v":6.19404717882941e-07,"d":"6.19E-07"},{"v":1.78748213102606e-05,"d":"1.79E-05"},0.217489793495836]
["NEG04502","3'-Amino-3'-deoxythimidine glucuronide",301.659,416.125174261613,0,0,0,0,0,19474.3115716753,45573.7789185324,45068.5015364229,51677.1611703538,37000.6950205938,1,39758.8896435156,15.2789898465059,{"v":9.97055480898955e-05,"d":"9.97E-05"},0.000630810348806369,0.0624614240323758]
["NEG01232","3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholate",599.841,405.267486157997,3411605.16779478,3046163.62221459,2775781.1778301,3346851.85951597,3337036.66522936,8216737.35931675,8751854.07507631,8879183.05570502,9930536.79161694,7867932.28942164,3183487.69851696,8729248.71422733,1.45524930371768,{"v":3.98724341820628e-07,"d":"3.99E-07"},{"v":1.36144578699517e-05,"d":"1.36E-05"},0.759880915911869]
["NEG05837","3-alpha(S)-Strictosidine",36.564,529.224440938658,995409.101972627,1142328.67522113,772899.065061387,730380.182221669,929234.078697728,252137.910762061,121940.254505848,80795.6198357362,55084.4271219671,80855.1334040905,914050.220634908,118162.669125941,-2.95149911340901,{"v":1.14673674640061e-05,"d":"1.15E-05"},0.000121759183335785,0.282475690701188]
["POS05770","3-[3,5-dihydroxy-4-(sulfooxy)phenyl]prop-2-enoic acid",27.62235,276.995245004478,0,16648.8807021866,7644.25728237952,0,0,280078.27083339,332362.486696849,380599.953992332,398915.171411408,291215.098688939,4858.62759691322,336634.196324584,6.11448906993225,{"v":6.74657649712646e-07,"d":"6.75E-07"},{"v":1.88608979197792e-05,"d":"1.89E-05"},0.185191952361321]
["NEG05927","3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside)",34.7603,439.085855889616,16927427.0899039,20342963.3980184,21919344.910437,14973420.115697,20536128.4882591,2556564.25750736,4698014.85536933,5448152.57601978,5582081.93677227,4771906.73213766,18939856.8004631,4611344.07156128,-2.03816620263363,{"v":7.05156524744977e-06,"d":"7.05E-06"},{"v":8.50179281720831e-05,"d":"8.50E-05"},1.21249581405598]
["NEG05084","3',5'-Cyclic CMP",191.982,304.033698315227,0,819.981024350042,755.687414641577,0,0,247372.011012662,171378.110313523,180299.550780943,105501.11099973,174144.425045122,315.133687798324,175739.041630396,9.12325502945646,{"v":5.22169391162332e-05,"d":"5.22E-05"},0.000368401212408377,0.132101239122363]
["NEG05989","3,5,7-Trihydroxy-4'-methoxy-8-prenylflavone 3-[rhamnosyl-(1-&gt;6)-galactoside] 7-galactoside",34.2568,837.268435277449,2674140.75520009,2822115.57808088,1982336.01261968,3248294.66460361,1612751.52136443,0,0,26086.9405876783,0,0,2467927.70637374,5217.38811753566,-8.88575666019521,{"v":3.23710632471074e-05,"d":"3.24E-05"},0.000253582777415607,0.498457444503672]
["NEG06148","3,4-Hexahydroxydiphenoylarabinose",32.1167,451.060998897697,540539.711675053,441598.774028184,281450.918775889,630228.059925398,104284.343616293,381655.375838041,1077803.83558708,1364187.67038459,1352836.7339139,1046472.03030671,399620.361604163,1044591.12920606,1.38623635848846,0.0126594282674111,0.0365798595866472,0.226144527694673]
["NEG06561","3,4-dihydroxy-5-[2,4,5-trihydroxy-3-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]benzoic acid",27.3191,489.040968019436,249555.67735637,353610.743677358,115796.733770007,297868.589706521,164468.931292144,6253.38032039769,7401.52415990308,0,0,0,236260.13516048,2730.98089606015,-6.43481318751295,0.000649415179248575,0.00290483409677888,0.147548371558755]
["NEG05113","3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid",189.819,234.040217781285,198030.921465905,165489.196740871,158070.554576395,216608.790056304,191132.622620586,897542.666972141,1472853.09583551,1713651.93917711,1661404.64289592,1569701.99172236,185866.417092012,1463030.86732061,2.97662217966797,{"v":2.47236299107703e-05,"d":"2.47E-05"},0.000207775036196026,0.359590161343468]
["POS07497","3,4,5-trihydroxy-6-{3,4,8,9,10-pentahydroxy-6-oxo-6H-benzo[c]chromene-1-carbonyloxy}oxane-2-carboxylic acid",36.1848,497.05642712681,579438.373419471,1302222.93042299,1275904.83868668,1687898.64864334,1121003.74256072,7295008.57066573,5879519.52622495,5691788.92086149,6229869.99089544,5477615.9173391,1193293.70674664,6114760.58519734,2.35734683425196,{"v":9.13032653053459e-07,"d":"9.13E-07"},{"v":2.24395332808139e-05,"d":"2.24E-05"},0.709665831203051]
["NEG05105","3,4,5-trihydroxy-6-{[5-methoxy-2,2-dimethyl-6-(3-oxo-3-phenylprop-1-en-1-yl)-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid",190.97,511.156744696346,0,0,0,0,0,40639.770707755,46979.9132320997,55371.2992317944,56798.9929547263,85027.5534506521,1,56963.5059154055,15.797750321695,{"v":6.98264972348026e-05,"d":"6.98E-05"},0.000468266749821997,0.0758513044174562]
["POS07512","3,4,5-trihydroxy-6-{[4-hydroxy-2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid",43.91865,501.130404871814,51708.5278719082,43692.3480990058,36733.741133099,49009.6943497617,26616.8361225423,54843.7924890445,226347.11962974,235669.10170736,260590.97927728,130026.149035983,41552.2295152634,181495.428427882,2.12693541651462,0.00703041882601237,0.0218990692261514,0.107206359026435]
["NEG04768","3,4,5-trihydroxy-6-{[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}oxane-2-carboxylic acid",246.813,309.087850393864,0,0,0,0,0,22299.676764564,32695.953759313,52679.0686842927,45292.0634706719,38643.9925707165,1,38322.1510499116,15.225890922407,{"v":7.96708195310108e-05,"d":"7.97E-05"},0.00052176804650397,0.0617491598471378]
["NEG05114","3,4,5-trihydroxy-6-(2-oxoethoxy)oxane-2-carboxylic acid",189.81,235.043358088655,1474185.41445073,1196990.74160715,1178030.88227518,1427963.15145753,1414646.08996389,1364229.19445009,136466.909555632,128167.140231277,132238.74280422,119870.196874853,1338363.2559509,376194.436783214,-1.83091932325778,0.00541702440383287,0.0177511722771754,0.284617274578888]
["NEG05990","3,4,5-trihydroxy-6-({5-hydroxy-2-[5-hydroxy-13-(hydroxymethyl)-9,13-dimethyl-8-oxatetracyclo[7.4.1.0tetradeca-2(7),3,5-trien-4-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)oxane-2-carboxylic acid",34.25345,613.19748589011,0,0,0,16962.8153143725,0,224173.989893302,493376.630103472,455720.682764024,440218.266046085,469458.61771437,3392.5630628745,416589.637304251,6.9401075089397,{"v":2.98663993447825e-05,"d":"2.99E-05"},0.000238984623021846,0.203792259700896]
["POS07845","3,4,5-trihydroxy-6-({3-hydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl}oxy)oxane-2-carboxylic acid",34.8696,649.216443651643,2457746.5352826,3557166.6726806,2679782.99083089,2590209.66589519,2111076.75099085,13628.8334246849,43649.1898447016,22346.6953059075,77368.9187843179,14316.5531446209,2679196.52313603,34262.0381008466,-6.28904562503081,{"v":4.11038433552445e-06,"d":"4.11E-06"},{"v":5.91181644141507e-05,"d":"5.91E-05"},0.523811577038278]
["NEG06001","3,4,5-trihydroxy-6-({2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid",34.1791,489.18125079457,680480.536529785,1002326.07906448,879796.522988241,1145665.00913258,779044.793161937,0,0,0,0,0,897462.588175405,1,-19.7754922741204,{"v":4.25411767352778e-06,"d":"4.25E-06"},{"v":6.02173049167398e-05,"d":"6.02E-05"},0.306245722310078]
["POS07532","3,4,5-trihydroxy-6-({1-hydroxy-2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid",35.03705,507.180281926127,735569.967666608,970865.537160633,739788.048542757,756681.577471605,651984.770576897,0,0,0,0,0,770977.9802837,1,-19.5563301307001,{"v":5.01121758519471e-07,"d":"5.01E-07"},{"v":1.55660946240111e-05,"d":"1.56E-05"},0.283908286585159]
["POS05331","3,3'-Dichlorobenzidine",28.7194,253.027915687973,127664.302270184,165242.074631655,164035.651873329,119308.384108796,70445.6862410295,2411437.01815585,3345212.08670855,3426066.36634018,3573167.55808907,3085180.91804317,129339.219824999,3168212.78946736,4.61443751737838,{"v":4.36036240308625e-07,"d":"4.36E-07"},{"v":1.43794674748864e-05,"d":"1.44E-05"},0.561639686987675]
["NEG05901","3,3'-Bisjuglone",35.0457,345.035548141999,0,0,23554.5501088846,0,63586.7192804143,414887.048682585,894728.010783388,1025807.68578723,852125.54451605,954756.177311916,17428.2538778598,828460.893416234,5.57093365881371,{"v":6.93775396628116e-05,"d":"6.94E-05"},0.000465954556924559,0.284486538751476]
["POS08061","3-(3,5-dihydroxyphenyl)-4-(2-{3-[6-hydroxy-3-(3-hydroxyphenyl)-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl}ethenyl)-2-phenyl-2,3-dihydro-1-benzofuran-5,6-diol",34.8696,875.268634693667,2046956.93463921,1916081.80089145,1909255.36101255,1968197.03360619,1772694.14019329,0,115786.814813839,37740.6007985811,26360.6170932896,40536.929224603,1922637.05406854,44084.9923860625,-5.44665502276572,{"v":2.28933245036924e-10,"d":"2.29E-10"},{"v":1.46288343578594e-07,"d":"1.46E-07"},0.44559565269758]
["NEG04107","3-(3,4-dimethoxyphenyl)-N-{2-[3-methoxy-4-(sulfooxy)phenyl]ethyl}prop-2-enimidic acid",380.006,436.105079640924,100713.478132699,111067.302491001,153407.324671627,95176.4884580985,127749.772121156,284833.32155959,337189.433762158,799364.650873644,1161825.88731618,1020332.39833629,117622.873174916,720709.138369572,2.61524850162319,0.00938195603010211,0.0282146577195217,0.224725265130834]
["POS05047","3-(3,4-dihydroxyphenyl)-N-(3-oxopropyl)propanimidic acid",318.665,238.106528299553,0,20113.2592762469,0,6096.62853791533,0,1765739.2888761,4295187.03836606,5606271.12702886,5815465.54811904,4586864.09611983,5241.97756283245,4413905.41970198,9.71772882229401,0.000289134092542468,0.00148654804131317,0.652418885019221]
["NEG05916","2-trans-Hydroxycyclohexyl glyburide",34.8045,508.121325620989,0,0,0,0,0,234274.507181787,452727.361258952,571741.825746348,497450.521667778,411145.126618593,1,433467.868494692,18.7255655297491,{"v":5.86732865219019e-05,"d":"5.87E-05"},0.000403735224156487,0.207610156431861]
["NEG01839","2-Stearyl citrate",547.823,443.300971334316,1211652.27022063,2258093.49431753,2622401.93874868,1063324.43018234,2202833.09332814,2411791.73222232,4842393.69976768,4138187.66734948,4894639.89805174,3637124.71318563,1871661.04535946,3984827.54211537,1.09019809874766,0.00502984527064794,0.0166902803379883,0.418491020558457]
["NEG05166","2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole",181.19,267.092595353555,106523.717836897,126154.513605996,93055.3221065662,149405.9677759,84591.4244665065,39480.5830892901,17145.5881023556,17913.0680885886,9639.46696616421,11004.6492499081,111946.189158373,19036.6710992613,-2.55595229228529,{"v":9.09898880810684e-05,"d":"9.10E-05"},0.000586452117271785,0.0964035112316607]
["NEG05038","2-phthylamine",192.257,142.06479194251,5233.76334145002,10743.712605848,9817.44318253476,8273.53962594701,8160.95504471759,5422505.2181725,7288795.11107996,8922776.78665872,9418144.26372686,7939048.60008435,8445.88276009948,7798253.99594448,9.85068720921669,{"v":3.81859100194606e-06,"d":"3.82E-06"},{"v":5.60631123256579e-05,"d":"5.61E-05"},0.895714141282413]
["NEG05581","2-O-Caffeoyltartronic acid",45.6962,281.035728463241,166222.570073016,281525.115632361,212308.756054089,104022.708361642,246590.071086869,3270.57553935725,48004.9002213866,54210.7681027041,44802.3974214091,47547.1497709783,202133.844241595,39567.1582111671,-2.35293554227877,0.00102966997288486,0.00426850212114362,0.121966960532314]
["NEG03599","2-O-Caffeoylglucarate",416.026,371.065487626249,7939.01474752983,34177.0910047566,13193.017207137,6529.21534451423,18828.8253440931,28742.9451772483,70928.1222108047,69383.6342891964,57945.2263677702,52646.777795374,16133.4327296062,55929.3411680787,1.79355190079272,0.00238969004714007,0.00879759965502677,0.0592713884200471]
["NEG04983","2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate",196.188,180.029018391713,12903.1848122825,18275.7409900564,14092.1940125969,11640.8238833013,12804.1893302491,192450.003047599,123018.446510974,55440.9132575481,78818.0591920818,92779.9003192184,13943.2266056972,108501.464465484,2.96007815574982,0.00400094134315021,0.0137030709248935,0.0897242863477807]
["NEG06230","2-Methyl-1-hydroxypropyl-ThPP",31.25375,496.096459687227,665240.265731038,786327.341294206,846487.303888076,723277.249865979,468964.190266651,60917.2830518238,177324.731943904,93005.1994597141,72254.8671916478,125798.67123502,698059.27020919,105860.150576422,-2.72118992554176,{"v":2.39209985206288e-05,"d":"2.39E-05"},0.000203806907395757,0.247603468752477]
["NEG06563","2-Methoxyacetaminophen sulfate",27.2858,260.025377510593,6172505.76623956,6637928.04831883,5301341.01843376,6248359.50505039,4648362.33700991,1343457.9145665,1808272.24204396,1777950.30659118,1610894.69613024,1535442.78196362,5801699.33501049,1615203.5882591,-1.84475951100359,{"v":3.4582853192623e-06,"d":"3.46E-06"},{"v":5.26153409287764e-05,"d":"5.26E-05"},0.657107027190076]
["POS04434","2-Hydroxyiminostilbene",172.882,210.094689106043,1577243.32750092,2207200.1856137,2332303.30481566,2612547.25238444,1485391.86085527,84005.7509295042,2114069.92078803,152245.483924681,214288.690997222,233990.90693623,2042937.186234,559720.150715133,-1.86786725366969,0.0105721633060033,0.0314122941855247,0.35779118883255]
["POS05373","2-Hydroxyfelbamate",93.99355,255.094205228985,4123.49106470608,31975.6321262196,29491.6921918987,22805.6752214327,13270.0194198762,63985.4764805051,297371.210409569,198152.577003112,374900.455688105,242184.735383183,20333.3020048267,235318.890992895,3.53270071803142,0.00337886027582624,0.0118817940359833,0.136252716957553]
["POS05295","2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dienoate",28.688,251.055121047238,374685.359407255,490054.173144674,513211.865624488,452433.191858992,224391.224019521,6508.39384799937,0,0,0,0,410955.162810986,1301.67876959987,-8.30246372548259,{"v":5.04364447451507e-05,"d":"5.04E-05"},0.000359239199594043,0.205180040848523]
["NEG04902","2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate",209.5065,232.060985458153,91972.8387941094,2137.47752001713,1843.14528925422,142764.583523882,0,197038.279270263,348248.982628818,458922.631041365,311477.547690086,303738.791030083,47743.6090254525,323885.246332123,2.76210322020273,0.00067137695978417,0.00298515819196281,0.161032318144919]
["POS02118","2-Heptanethiol",94.05105,133.104898789705,2282423.09186361,1203618.66277762,1123219.94686695,1105184.07952594,1664367.85254913,4826447.26389774,2944989.07838833,6407603.38304498,2705283.02662286,5524421.57040043,1475762.72671665,4481748.86447087,1.60260102607521,0.00410698189689814,0.0140126087145884,0.520812757761218]
["POS02627","2-Ethyl-1-hexanethiol",35.6732,147.120434114478,500470.854025802,496209.061912204,456063.586669181,593955.921898855,334874.505432237,10595484.1738989,9985489.51225001,10494557.4417947,6775406.12632977,8704800.55331427,476314.785987656,9311147.56151753,4.28897174578001,{"v":1.78832671943147e-06,"d":"1.79E-06"},{"v":3.44306398818077e-05,"d":"3.44E-05"},0.953072272262587]
["POS06958","2'-Carboxy-4-[bis(2-chloroethyl)amino]-2-methylazobenzene",35.1605,380.08760330938,43862.5559384665,209459.035914957,285861.863941212,17895.9732526144,309010.613400422,1143715.17323142,450291.845687699,1288871.62241622,2287177.34528755,1319640.99109476,173218.008489534,1297939.39554353,2.90556218964423,0.0055876013965609,0.0182167208796042,0.310531405798587]
["NEG05946","2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(2,3-dihydroxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid",34.5346,470.120366662632,291883.086974459,256881.854667183,341521.140071194,358658.787294351,653982.716840334,63158.9896129508,70922.7297855278,77761.5567356636,24187.736826691,72399.4283431141,380585.517169504,61686.0882607895,-2.62520359448659,0.0020830065987616,0.00780996522737691,0.166840744243772]
["NEG05069","2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(4-{[8-(2-hydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl]oxy}-3-methyl-4-oxobutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid",192.248,650.212167009585,179646.453910456,325174.352386351,193128.366084383,410196.546249518,115409.482728749,630519.769230011,680561.638555163,846954.931556953,843319.693338151,791404.976389721,244711.040271891,758552.201814,1.63216927597757,{"v":7.50678429464956e-05,"d":"7.51E-05"},0.000498187628337796,0.224465023210578]
["NEG05924","2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(4-{[8-(1,2-dihydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl]oxy}-3-methyl-4-oxobutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid",34.774,666.210649346716,2343693.32919262,2785697.25448057,2185720.18786915,2697344.32317713,1979122.63442596,0,0,10569.4923683473,0,19941.244126498,2398315.54582909,6102.14729896906,-8.61848876558788,{"v":2.69027541992364e-07,"d":"2.69E-07"},{"v":1.0407333549612e-05,"d":"1.04E-05"},0.500725115349929]
["NEG05823","2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-2,4-diphenylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid",36.6538,530.208621011352,6394209.63571767,8473994.7579115,7339001.80796084,5305482.42894915,8838726.97940138,24946.3889176817,0,0,0,6528.31376537983,7270283.12198811,6294.94053661231,-10.1736030818565,{"v":3.83530345889813e-06,"d":"3.84E-06"},{"v":5.60631123256579e-05,"d":"5.61E-05"},0.860821727257472]
["NEG04951","2-Amino-1,2-bis(p-chlorophenyl)ethanol",197.612,280.035487662806,966128.932328495,1089517.34898359,912883.133270978,959987.508230491,925830.556303533,393110.768958499,396238.295712468,387825.379173376,389729.198832932,367416.7506662,970869.495823417,386864.078668695,-1.32745060472968,{"v":7.79987078685103e-08,"d":"7.80E-08"},{"v":5.53790825866423e-06,"d":"5.54E-06"},0.247304825940545]
["POS07591","2-acetyl-1-alkyl-sn-glycero-3-phosphocholine",454.775,524.360168429755,4952141.26652224,6081710.69141346,5886867.29367023,5085069.11265173,5023817.08064991,7526728.84639068,12048046.5380929,19213084.2279455,16236122.456405,14380212.176838,5405921.08898151,13880838.8491344,1.36048239782542,0.00275641585449809,0.0099350911500161,0.867518302292745]
["NEG00670","2-Aceto-2-hydroxybutanoate",672.907,145.049680021035,3412196.15483822,3846886.95552184,6841891.33200702,3343869.07522889,3955265.4396731,7858319.38762845,11708227.5027462,11457706.0606857,13942373.3310022,10477339.3109546,4280021.79145381,11088793.1186034,1.37341230694189,0.000424715939506021,0.00204274666388218,0.795356129010517]
["NEG04213","28-Hydroxywithanolide E",362.809,501.258033405742,46160.0179355906,42478.4100554256,51328.7106581401,41556.0650370751,34988.57077926,0,0,0,0,0,43302.3548930983,1,-15.4021578640907,{"v":2.26941085463622e-07,"d":"2.27E-07"},{"v":9.74842882909299e-06,"d":"9.75E-06"},0.0675487976953861]
["NEG03898","27-O-Demethylrifamycin SV",403.921,682.281967411008,57342.5058514964,83380.4028128695,70348.3438526323,73884.2702973583,55878.530587066,8712.39942978284,18331.8064336642,29037.8731712736,22775.9260186576,23200.0397823266,68166.8106802845,20411.608967141,-1.73967957641831,{"v":5.65761395605387e-05,"d":"5.66E-05"},0.000392348949231457,0.0695467489577911]
["POS07500","25-Hydroxy-24-epi-brassinolide",450.499,497.341732069992,2952691.1137369,3889792.12049512,3183169.96134219,2555289.65617035,2983451.30951532,6493377.38308266,10213367.0682736,12094067.1754263,10382159.4733878,9815383.39748675,3112878.83225198,9799670.89953142,1.65448387880343,0.000100559885534348,0.000635316903947937,0.811710439159989]
["NEG06493","2-{[hydroxy(6-hydroxy-2H-1,3-benzodioxol-5-yl)methylidene]amino}acetic acid",28.0783,238.038379740662,17180.2585655984,8923.34601569615,0,34907.6410757449,54747.567139475,89228.5968228693,105741.482154313,150297.965910973,147634.874189058,88830.0836849298,23151.7625593029,116346.600552429,2.32923512216519,0.000543455806067593,0.00250605960880448,0.0943730727725652]
["NEG04708","2-[4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy]acetaldehyde",267.802,375.117902327739,0,0,0,0,0,63394.9974955882,95725.5894063083,128517.528134108,114014.26302924,103531.093076161,1,101036.694228281,16.6245198165917,{"v":1.48818225963892e-05,"d":"1.49E-05"},0.000145986564216562,0.101390170995368]
["NEG06223","2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-(3,5-dihydroxy-7-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate",31.30775,512.069916494395,1414070.24297316,1408517.11078469,1223013.70170207,1538395.90693821,975625.820370231,53865.5921113378,115036.198353124,116869.215061836,32333.0630957484,216556.317906033,1311924.55655367,106932.077305616,-3.61691815847609,{"v":2.6217294622853e-06,"d":"2.62E-06"},{"v":4.27992550540224e-05,"d":"4.28E-05"},0.352773641553828]
["POS06055","2,7-Anhydro-alpha-N-acetylneuraminic acid",31.9351,292.101532283842,131555.589538195,121380.123897101,51673.443450239,0,85408.6936622279,1012640.97582721,1648178.12943215,1801246.97574765,1608317.61680993,1736206.4187251,78003.5701095526,1561318.02330841,4.32308046260208,{"v":6.5466804783069e-06,"d":"6.55E-06"},{"v":7.95741896181162e-05,"d":"7.96E-05"},0.390759822030184]
["POS06431","2,6-Dichlorophenol-4-(1,4-phthoquinone imine)",28.7309,320.020660529344,0,5426.7069133362,5928.34987622665,9435.3459473016,0,276130.23718574,374630.285608548,358369.242859069,309899.507779815,258539.443627202,4158.08054737289,315513.743412075,6.24564133314391,{"v":7.47176418221366e-07,"d":"7.47E-07"},{"v":2.01948826259416e-05,"d":"2.02E-05"},0.178827318454894]
["POS04821","2,5-Dichloro-4-oxohex-2-enedioate",27.9102,226.950733929188,282986.214494958,401667.697965551,705875.096818592,273766.4696544,594786.032523371,1817552.34507683,1958761.08276142,2332800.57825977,2930081.44225084,2093355.61928971,451816.302291374,2226510.21352771,2.30097599813456,{"v":3.29843077701419e-05,"d":"3.30E-05"},0.000257523497517655,0.421056250630644]
["NEG04439","2,5-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one",314.759,354.088199616097,0,1328.65055944395,0,0,1195.77833397019,398881.294224207,519249.296960545,604876.435119667,554915.358306356,658294.781815547,504.885778682828,547243.433285264,10.0820099813758,{"v":1.60897683653905e-06,"d":"1.61E-06"},{"v":3.19864595103962e-05,"d":"3.20E-05"},0.238656134141159]
["POS04693","2,4-Diamino-6,7-dimethoxyquinazoline",37.628,221.100714745913,656130.815096716,1141623.05865665,2275459.57246116,780257.471724107,434546.284103638,2114735.97675187,2383738.5957082,3007977.23179578,2886704.77990561,2438883.60338246,1057603.44040845,2566408.03750878,1.2789517900767,0.00329303140831533,0.0116256744194116,0.353644936926798]
["NEG05797","2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose",36.87525,245.113758812481,2275508.22624262,2654628.44447379,2327229.57168615,2197075.52941962,2283671.78931923,298795.496215122,311771.332707851,364948.6345624,322577.488379709,310834.126395864,2347622.71222828,321785.415652189,-2.86702972565604,{"v":6.57985975300531e-09,"d":"6.58E-09"},{"v":1.53672879690602e-06,"d":"1.54E-06"},0.461999839475831]
["NEG03363","2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile",442.904,281.108049457409,125216.645548772,184840.904348916,159287.556354625,128355.449462215,170862.185409036,1053261.80478069,1294406.61020534,1403101.19338322,1283503.89818934,1470648.22730726,153712.548224713,1300984.34677317,3.08129675546612,{"v":2.40992201747559e-07,"d":"2.41E-07"},{"v":9.88952402217277e-06,"d":"9.89E-06"},0.346796956690279]
["NEG04808","2,3-Dihydrothiemycin",232.2885,273.087975387417,2078.69518364471,2644.71819097634,2571.11724969186,7687.01369469177,10665.9191606929,80019.5035579717,142698.664372987,171576.796403006,170292.166617014,151026.573763886,5129.49269593952,143122.740942973,4.80229296046187,{"v":3.62567369007862e-05,"d":"3.63E-05"},0.000278490657375952,0.117844954658238]
["POS05199","2,3,5-Trichloro-cis,cis-mucote",27.9179,244.922780303067,178015.599391014,349273.838216728,441483.722752957,211900.905509814,420714.19183719,644942.800957388,846510.546063919,915008.227899056,1162065.77913426,912195.801646859,320277.651541541,896144.631140296,1.48440845873412,0.000387330995281698,0.00189762490897594,0.233562067999094]
["NEG06284","2,3,4,5-Tetrahydrodipicolite",30.5445,170.042252375649,443481.132897107,354115.38852543,334659.871887739,384859.65693385,346132.393049996,8559949.81049593,11996033.2444646,13974140.4871073,11311475.6185888,11872148.5883522,372649.688658824,11542749.5498018,4.95302305869284,{"v":1.2936918546852e-06,"d":"1.29E-06"},{"v":2.75556365047947e-05,"d":"2.76E-05"},1.07608175075639]
["NEG06708","2,2'-Disulfonyl azobenzene",24.8578,340.992578191155,426477.301178704,530729.334650762,363887.071233626,389905.82906539,369916.812703604,99392.0637422122,199016.646329522,292581.841688043,220100.510119406,168095.347430101,416183.269766417,195837.281861857,-1.08756353176672,0.00105117447140265,0.00434958687380579,0.142168224164277]
["NEG06165","2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate",32.0655,325.124908639883,280263.255024224,343339.2318401,177881.251009021,437905.493779653,242113.153587441,4568001.61344379,5565216.44587896,5705611.77424814,4462856.98277503,5729654.87769186,296300.477048088,5206268.33880756,4.13511681813111,{"v":1.39913389857338e-07,"d":"1.40E-07"},{"v":7.1117340094531e-06,"d":"7.11E-06"},0.717203365733894]
["NEG04635","2,2'-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol",274.3215,328.108936580631,0,828.965249456375,0,0,0,47345.5956593094,78976.3515340419,98509.4724527552,100641.381321648,87123.7163507448,165.793049891275,82519.3034636999,8.95920430365388,{"v":2.69805496916339e-05,"d":"2.70E-05"},0.000222664204373945,0.0912135733843735]
["POS04116","2-(sulfooxy)pentanoic acid",684.552,199.028735769382,1975111.29463606,3863388.03476268,2490701.88322363,3560006.80760824,2244273.27297848,3951800.91354821,8745769.99704146,8039573.06937378,9539035.650499,7320981.26471626,2826696.25864182,7519432.17903574,1.4115068552591,0.00191038635968949,0.00724780168523418,0.644070882610275]
["POS06002","2-(hydroxymethyl)-6-(2,4,6-trihydroxyphenyl)oxane-3,4,5-triol",34.3165,289.090655482472,5277859.72822788,6806540.07166898,5502281.19829863,5764616.01305505,4432917.91343384,1105843.33134642,2931753.78787431,1701421.0864239,3007853.42650788,1446607.42516996,5556842.98493688,2038695.81146449,-1.44661894522557,0.000206389698248371,0.00113512521395649,0.591355206641306]
["NEG00652","2-(Hydroxymethyl)-3-(acetamidomethylene)succite",673.3225,216.050533978738,56570.1582418609,86425.8571924001,64763.3754075549,54784.0021929822,63408.2884872228,166786.573618355,386982.840941744,347270.775750985,337083.329906389,368002.246570983,65190.3363044042,321225.153357691,2.30085484375609,0.00020738863933122,0.00113713360698783,0.157614005329483]
["NEG05207","2-(6'-Methylthio)hexylmalic acid",174.8055,263.09686005518,93516.0928466185,114149.034401684,80372.4885684223,93094.2094829931,49828.238276877,3019.65685000102,15613.8895137438,14680.7629285756,19327.2933808808,9649.13415020214,86192.012715319,12458.1473646807,-2.79046464016089,0.000147519441689453,0.000859185498277242,0.0854098133740276]
["NEG05451","2-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)propanedioic acid",99.60015,279.038598343197,688964.94277202,1151837.28522206,864007.957320034,577476.169854989,711553.279730047,50618.0456162194,209256.737047196,257925.605873079,188038.817623105,180349.146944817,798767.92697983,177237.670620883,-2.17209113407279,0.000357934702209291,0.00177499104543477,0.24502828290243]
["POS06165","2-(4-Methyl-5-thiazolyl)ethyl decanoate",26.84705,298.18627773536,211458.765414177,352969.42338684,259933.653856404,340683.550745661,212524.378782135,7034.45448143549,8761.21610050766,64566.5432457512,37900.7258112318,19331.6081908789,275513.954437043,27518.909565961,-3.32363018170701,{"v":5.87595866143244e-05,"d":"5.88E-05"},0.000403735224156487,0.158602953645249]
["POS05870","2-(4-Methoxyphenethyl)chromone",206.915,281.11217802929,46449.1610938009,27058.9508593715,61633.3880240553,73779.7499472821,33457.2015988829,10084.4270544283,22564.3345578265,0,0,0,48475.6903046785,6529.75232245096,-2.89216126717272,0.00260086592762759,0.0094582709709579,0.0624393262496699]
["POS06227","2-(3,5-Dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-carboxylic acid",290.852,302.033700805228,0,0,9055.58403492269,0,6044.82230290454,80281.3628016246,79110.3085614223,121017.94041709,49937.189723293,91705.3576969507,3020.08126756545,84410.4318400761,4.80476202826066,0.000112054144108063,0.000692290312977027,0.089601649224082]
["NEG06021","2-(2,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one",33.8947,431.140141404274,782545.635331675,1241497.02187817,1443169.9499257,1463750.39047612,1118442.18385761,161380.292011851,16888.4925104245,14589.8666095859,41532.463958574,107034.686340209,1209881.03629385,68285.1602861289,-4.1471493022363,{"v":1.97149476920597e-05,"d":"1.97E-05"},0.000177078234993139,0.344447854000509]
["NEG03328","1-Stearoylglycerophosphoglycerol",448.537,511.303521004739,69816.1099998212,88006.7172539357,96585.2107657664,68306.3250093742,56006.6548875928,111373.610159345,148413.601788634,252006.442894954,223843.819807551,206267.156853924,75744.2035832981,188380.926300882,1.31444550453305,0.00289797958165051,0.0103535644318872,0.0996930641539473]
["POS07595","1-Stearoylglycerophosphocholine",495.697,525.373093408163,136254.611026208,182944.829078156,161463.892189445,137123.802651721,193227.349966899,1375284.52524565,2424861.35364493,3860671.5854284,3129496.60627996,2852947.393991,162202.896982486,2728652.29291799,4.07231707460494,0.00024863492594123,0.00131149059402727,0.499554707305632]
["POS06174","1-Pyrenylsulfate",204.9335,299.034058019468,0,0,0,0,5990.03729715672,1789803.54827031,441228.117773567,831669.223009655,994504.343607396,1438414.51463173,1198.00745943134,1099123.94945853,9.84150148334404,0.00161144911647186,0.00625154376957408,0.318281457099269]
["POS01536","1-Propenyl propyl sulfide",35.64515,117.073831574059,2540289.53718755,2373113.12656504,2334527.70916468,2097352.21085006,2306607.50584666,5340648.20106339,6041564.79321558,7631637.78054158,7406604.08698341,5920270.27271238,2330378.0179228,6468145.02690327,1.47278802892385,{"v":1.63875897601897e-05,"d":"1.64E-05"},0.000154739074867609,0.648100533473644]
["POS05680","1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one",33.90525,273.062797249275,794245.523755242,1404738.90130816,1161551.03655594,925556.964467632,766333.23085369,370514.66397058,744501.301908769,227520.939603854,313339.522611102,187318.162871717,1010485.13138813,368638.918193204,-1.45476780029999,0.00341438082985068,0.0119784513348409,0.243421718682776]
["NEG05144","1-O-Vanilloyl-beta-D-glucose",182.768,329.084876959705,4596480.34226839,5302158.04494214,3618277.86035652,6412128.48428992,3505881.55568534,1671757.8301618,909708.123973736,950091.861040346,1024365.22664081,690922.414539472,4686985.25750846,1049369.09127123,-2.15913805521763,0.000207444896781147,0.00113713360698783,0.597117582711071]
["POS07580","1-Oleoylglycerophosphoserine",414.396,522.28250738467,629960.01401037,723639.48893312,609474.739470606,607114.092626531,524199.053019779,33609.0339590843,82863.3224140743,184011.125517027,103660.368330869,94354.1505061759,618877.477612081,99699.6001454461,-2.63399419619507,{"v":1.18968018552144e-06,"d":"1.19E-06"},{"v":2.62139875361449e-05,"d":"2.62E-05"},0.232104503990354]
["NEG03903","1-Oleoylglycerophosphoinositol",403.741,597.304291780497,3602325.02065685,3771782.1150324,3760665.76255287,3808033.99780743,3426330.68512637,1421609.78943585,1436717.90148224,2015032.84702018,1643295.74683478,1623066.66955484,3673827.51623518,1627944.59086558,-1.17423229795811,{"v":2.44006522115811e-07,"d":"2.44E-07"},{"v":9.92219248567292e-06,"d":"9.92E-06"},0.463065528909213]
["NEG05894","1-O-Galloylglycerol",35.1004,243.054659199135,762390.533694815,517750.195406766,386228.374222821,1328027.44691857,1533889.82247661,3815057.57927481,3832139.00446323,4127876.03591674,4262761.24770483,3974492.30828465,905657.274543916,4002465.23512885,2.14385176830111,{"v":1.27342946018346e-06,"d":"1.27E-06"},{"v":2.75171496396164e-05,"d":"2.75E-05"},0.568970887296466]
["POS05883","1-Methyladenosine",175.605,282.118665805909,2573750.84800487,2646991.00859332,2422949.6585981,2667281.78007769,1680693.70425061,400007.695437682,834922.186917419,917441.307122995,887823.025821854,821596.414309413,2398333.39990492,772358.125921873,-1.63469037175468,{"v":5.04175405708573e-05,"d":"5.04E-05"},0.000359239199594043,0.405031345507548]
["NEG00624","1-Hydroxypyrene",673.697,217.071015584739,121691.508594391,174612.390607282,160751.02219979,119566.049156334,131401.597338622,217225.360054553,417968.857812332,539432.887575632,537283.518972582,482859.2482232,141604.513579284,438953.97452766,1.63220242594192,0.00119823464221628,0.00487245777693947,0.165494024963886]
["POS01610","1-Hexanethiol",38.9286,119.089419603692,2699585.99015914,3149384.60863282,3504957.29803736,2805708.62919685,2550324.38369264,18000804.7953584,27562810.841735,31284721.5604181,28418162.4289297,26952871.5507981,2941992.18194376,26443874.2354479,3.16806824060525,{"v":6.00596460785448e-06,"d":"6.01E-06"},{"v":7.64953754042251e-05,"d":"7.65E-05"},1.55009480684157]
["NEG02601","1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate",517.909,753.456054902771,46143075.8788204,33060589.7068168,45302086.8023533,60894225.1485195,42730058.4417712,3629458.89916981,4084274.81390218,5337460.34676188,4858016.59499273,4098437.65304033,45626007.1956562,4401529.66157339,-3.37377951162649,{"v":1.57714684129814e-05,"d":"1.58E-05"},0.000150738842331764,2.04995334800286]
["NEG00562","1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1'-myo-inositol",674.737,835.534020013962,810370105.465951,624362570.602301,542218054.356036,885875815.349513,593575640.332833,181125201.171971,219799264.141176,258169429.077868,225508526.362749,214284006.3306,691280437.221327,219777285.416873,-1.65322881139198,0.00011518858719646,0.000707745261716711,6.76838861177385]
["POS05716","1-Deoxy-D-altro-heptulose 7-phosphate",33.40305,275.051635039745,2676804.48852631,4196889.08237192,3564056.33080926,2967717.68932695,2396621.67200163,415410.237107689,1244804.78776773,956923.733436315,1565188.48136155,885115.806566367,3160417.85260721,1013488.60924793,-1.64078544177935,0.00044886830521388,0.00213821930694535,0.458648382034746]
["POS06861","1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione",210.982,367.148469487978,0,0,0,0,0,0,114747.533430259,180024.876209522,180182.58920964,117621.651392835,1,118515.330048451,16.854714159336,0.00695824182229664,0.021728770607511,0.09966202781429]
["NEG06045","1alpha,5alpha-Dimercaptoandrostane-3alpha,17beta-diol",32.63975,355.172328390936,43379.4292715389,0,0,0,0,607451.11748891,627589.765568571,400029.048920124,312565.693490155,708393.698339968,8675.88585430778,531205.864761546,5.9361161924915,0.000118279073988204,0.000721776668416424,0.227312808104704]
["NEG05382","16alpha-Bromo-17beta-estradiol",158.2765,349.076316749659,17640.082635552,9773.86651290244,37809.884831575,23579.8205910122,29772.8249090368,52663.5596052663,67211.0209678041,89986.0494335769,67341.1087187567,74001.8953767348,23715.2958960157,70240.7268204278,1.5664899042779,0.00031860189079863,0.00161760074635899,0.0666020343385656]
["NEG03697","15-Demethoxy-epsilon-rhodomycin",411.215,570.211882196362,135001.217121929,133321.45609412,159544.19330504,187892.61257222,115629.127074097,14665.6076956055,33866.5542346881,53343.6018792957,25498.4946959156,41810.4691559427,146277.721233481,33836.9455322895,-2.11203881006516,{"v":4.66149689570317e-05,"d":"4.66E-05"},0.000337392809295797,0.106989061587526]
["NEG01355","13-Hydroxydocosanoic acid",589.679,355.321482562146,1121784.20820374,1526391.6199551,1893091.47696177,1262784.97769955,1796034.16076103,2047019.57750427,3435346.95509502,5091210.06481115,3355640.199469,2984085.91427059,1520017.28871624,3382660.54223001,1.15407067361519,0.00681805657888811,0.0214297263817356,0.392325079412451]
["NEG05930","13-Deoxycarminomycin",34.75775,498.18354267346,0,0,0,18716.2417359631,0,183362.897692767,234284.102159953,287531.507447036,310286.389560267,363914.807609383,3743.24834719262,275875.940893881,6.20358506715079,{"v":2.40776759810847e-05,"d":"2.41E-05"},0.000204016799496543,0.166596969254924]
["NEG02590","13-Demethylspirolide C",518.2,690.443451122821,43664.3013329831,23687.8569219971,62557.1494354365,60811.3873371329,48212.015907077,0,0,0,0,2668.43945550887,47786.5421869253,533.687891101774,-6.48446429011551,0.000150927845002043,0.000874482190018317,0.0685126011227322]
["NEG01166","13,16-Docosadienoic acid",612.311,335.295324785249,301489.883914839,261872.09182782,344976.810120257,257075.723094135,334953.388859781,752690.292534113,810820.332801064,775946.613561254,1168604.97872582,701085.625190523,300073.579563366,841829.568562555,1.48821188379131,0.000224791684657282,0.00120562734469067,0.2280984879283]
["POS07213","13,14-bis(acetyloxy)-9-oxo-8,17-dioxatetracyclo[8.7.0.0,.0,]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-5-yl 2-hydroxyacetate",39.6768,427.074528947568,596148.595036815,742561.151597826,544889.62870627,746709.855033607,359666.8544035,133741.02772232,242259.121304098,89421.7404163742,85653.2305405234,101631.940920448,597995.216955604,130541.412180753,-2.1956263937279,0.000308274690624341,0.00157051559357936,0.214531929783175]
["NEG02456","12-O-Tetradecanoylphorbol 13-acetate",525.087,615.402808552219,555777.857923088,219928.814187368,283931.812827078,344376.041708262,189876.516738549,0,9403.52334423755,9129.90550340252,16268.9679996305,4422.71704645405,318778.208676869,7845.02277874492,-5.34463156525122,0.00138798822156247,0.00549510148610001,0.166488178901552]
["NEG02316","12alpha-Hydroxyamoorstatin",528.552,531.230948375601,1632516.48980527,2072691.3949579,1786610.8266141,1362398.8940429,2010697.14239974,241346.78126838,128390.630972453,156323.70855967,40939.7375751022,142898.24439563,1772982.94956398,141979.820554247,-3.64242086153086,{"v":1.84691316757531e-06,"d":"1.85E-06"},{"v":3.51542238236781e-05,"d":"3.52E-05"},0.409222633533818]
["NEG06465","12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione",28.6061,407.12378232311,13715.3689482074,0,0,0,36145.5235576026,135162.652318618,169728.265830463,186079.610858441,145115.400025294,159913.034119295,9972.178501162,159199.792630422,3.99678593925861,{"v":1.11573770708995e-06,"d":"1.12E-06"},{"v":2.52055291101685e-05,"d":"2.52E-05"},0.124977204800634]
["POS07432","11-O-Demethylpradinone II",36.07805,481.0787031058,169022.20065189,241299.315793586,210267.365328957,153385.778335984,405503.892045531,1683088.82644659,1486447.68150385,1137389.71557424,1099178.97231647,1348799.10780126,235895.71043119,1350980.86072848,2.51778614651724,{"v":1.29171816429765e-05,"d":"1.29E-05"},0.000132519618094115,0.336391205940963]
["NEG06195","11-Deoxytetrodotoxin",31.6249,302.100621251725,4395796.41096259,2780191.87583609,2741849.40190364,5093833.38934665,2894316.93242227,922896.512489241,538102.504370796,791497.337600814,473897.427368897,822876.465203131,3581197.60209425,709854.049406576,-2.33484779261845,0.000410069733454648,0.00199374121493765,0.52014108748845]
["NEG02682","11beta,21-Dihydroxy-5beta-pregne-3,20-dione",512.723,347.220288819463,70872.1260199582,44072.4686570449,73154.9123424024,130140.0140866,80058.5476123907,550864.736868364,395562.152523386,486415.659315015,136676.191749784,460381.528124958,79659.6137436792,405980.053716301,2.34948845838401,0.0021065801207897,0.00788513211739945,0.171146137977363]
["POS05375","10-Hydroxycarbazepine",239.488,255.111796690101,0,0,0,0,0,133465.756393069,230785.233354671,155185.902137752,291852.597101364,197238.898591767,1,201705.677515725,17.6218921672548,{"v":9.48830911844541e-05,"d":"9.49E-05"},0.00060543804118126,0.140667130689968]
["NEG05185","10-(beta-Dimethylaminopropionyl)phenothiazine",178.429,297.103260016583,524957.994147604,550048.892643096,515811.510949631,559188.407684779,435873.473570581,13163.0013841996,43781.1183336912,57398.9687011604,37040.8254298989,37258.6543892495,517176.055799138,37728.5136476399,-3.77692831287181,{"v":2.90449174714331e-08,"d":"2.90E-08"},{"v":3.09328371070762e-06,"d":"3.09E-06"},0.225032401351767]
["NEG05329","1-[2-Bromo-1-(4-chlorophenyl)ethenyl]-2-chlorobenzene",165.65,324.912844988096,841345.81193275,361112.812874835,465394.662915225,982252.151869526,513039.47800925,291975.372226013,137554.159962132,223885.171170446,79755.2577267508,219393.4916414,632628.983520317,190512.690545348,-1.73147255099906,0.00744063971512329,0.0231285486071901,0.189664186010116]
["NEG05567","1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid",46.0757,272.098837906549,166440.941987893,201361.357347862,170375.781037353,314261.0800278,236038.872073482,411813.925489327,445609.939338018,608409.854528759,467558.579887141,501682.772993335,217695.606494878,487015.014447316,1.16165395908154,0.000253805370653805,0.00133247819593248,0.161411922661211]
["NEG01668","1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol",560.6695,640.542146005705,4244.78572549976,4704.997390354,0,4827.80326548174,0,66505.4240036749,122389.485753246,127824.649057479,201590.44313355,108659.782255354,2755.5172762671,125393.956840661,5.50800083876723,0.00051064101921472,0.00238672651927632,0.107553938750424]
["POS06909","1,2-O-Diacetylzephyranthine",35.03365,374.164473873518,799708.894962922,1417666.75230893,1035259.73703693,1061538.12581222,738727.163127225,93087.1923053662,201874.22171401,122569.243827242,176456.57964706,80651.2618550442,1010580.13464965,134927.699869744,-2.90492526507185,{"v":9.526172400482e-05,"d":"9.53E-05"},0.000606124738938207,0.297728337115172]
["POS04589","1,2-Dihydroxydibenzothiophene",41.5542,217.031241962056,125998.380984416,341755.38274588,238386.45549236,299126.515427554,87020.7978449056,656848.41666834,4388269.01220024,4331750.15149575,4814928.05567018,3881620.57015861,218457.506499023,3614683.24123862,4.04844464300167,0.002017407342841,0.00760139025901341,0.551199151275201]
["NEG04745","1,2-Dehydrosalsolinol",253.249,176.070575759256,5677.49003022978,7359.7976320875,10499.8954691528,1235.68696715487,2878.16527404523,152307.048325966,242153.959214443,253824.423424146,223528.050158554,170102.123553529,5530.20707453404,208383.120935328,5.2357611114792,{"v":7.99218934632418e-06,"d":"7.99E-06"},{"v":9.24550651189186e-05,"d":"9.25E-05"},0.143229149251998]
["NEG05993","1,2-Bis-O-sipoyl-beta-D-glucoside",34.2519,591.171062649097,44487.6399130214,76035.8684982381,138355.226476009,139463.498556147,67325.1244322848,0,46631.264232728,45774.0968230278,29219.6810890858,0,93133.4715751401,24325.0084289683,-1.93685945144497,0.0140694233035281,0.0398559407452066,0.0769987546502969]
["NEG05033","1,2-Bis(4-nitrophenyl)ethane",192.2735,271.069648899986,5002.57631241134,4275.84643410015,7101.67269734766,4042.20451950464,11972.2975292593,2521597.50244084,2077655.25507811,2362630.2245707,2200093.74218142,2482104.65302886,6478.91949852462,2328816.27545999,8.48962787964107,{"v":3.19447804595871e-09,"d":"3.19E-09"},{"v":1.02063573568381e-06,"d":"1.02E-06"},0.495659284138087]
["NEG00176","1,1-Diethyl-2-hydroxy-2-nitrosohydrazine",704.419,131.069908284067,6798718.18753992,7278467.03107019,7290146.57276921,7011475.88569822,6422092.22110879,2818491.91925649,2489358.28304587,2956753.28152161,3475700.37745709,2624757.95801242,6960179.97963727,2873012.3638587,-1.27656041100285,{"v":1.24364406941308e-07,"d":"1.24E-07"},{"v":6.95519790355319e-06,"d":"6.96E-06"},0.656721377308775]
["POS01037","1-(Methylthio)-1-butene",32.0433,103.058358598408,309915.105441128,382422.477910886,197742.459119582,388221.244360648,376475.991681916,855115.555149123,951202.80474032,1606550.01483402,1074627.44363768,1176064.95547941,330955.455702832,1132712.15476811,1.77507233101926,0.000350919344766673,0.00174990215065923,0.27915869320397]
["NEG06214","{4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)propanoyl]phenyl}oxidanesulfonic acid",31.3687,403.082999727434,42940699.2222198,41451442.2050198,32858115.511509,16538055.7739289,41718925.9443005,1286723.62357359,568108.542322946,3854842.45558021,824182.629993543,619020.200938229,35101447.7313956,1430575.4904817,-4.61686299976616,0.000150372562670766,0.000872394906389543,1.78691185728104]
["NEG06307","{3,5,6-trihydroxy-2-[3-(sulfooxy)phenyl]-7H-chromen-7-ylidene}oxidanium",30.4869,365.99712390282,42345.6446257508,51176.3595553071,26550.5502888985,42983.819809457,14661.7199201276,989891.196010765,1434604.4252885,1528288.22159802,1374421.22843861,1392915.97779977,35543.6188399082,1344024.20982713,5.24082473982966,{"v":6.15139701732372e-07,"d":"6.15E-07"},{"v":1.78670122457721e-05,"d":"1.79E-05"},0.368814976807745]
["POS06197","[Nitrilotris(methylene)]trisphosphonic acid",28.43815,299.975020854214,96288.7722894069,98447.5322865739,106500.441005045,95613.8701952376,83341.6786107232,386819.568931437,466272.448995099,588721.756727714,569695.018806316,477367.165760493,96038.4588773973,497775.191844212,2.37381017293371,{"v":4.61537653424598e-06,"d":"4.62E-06"},{"v":6.37178371533403e-05,"d":"6.37E-05"},0.202901174254782]
["NEG04869","[2-hydroxy-6-methoxy-4-(3-oxobut-1-en-1-yl)phenyl]oxidanesulfonic acid",215.048,287.02826959253,1806.273296169,2102.55319842218,1856.94266974633,997.823417303049,2837.46500663079,59445.9207877293,127850.780807125,205238.826887156,194670.492913578,147794.035141574,1920.21151765427,147000.011307432,6.25840721847678,0.000545171244545327,0.00250879730128729,0.117404545796253]
["POS07075","[2,6-dihydroxy-3-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid",32.823,398.99236492243,1020874.82494584,1479540.47206719,1597397.78224937,1474379.97984705,1228393.50488951,5181362.66089911,4531321.04116873,4207941.60554236,5053986.69919046,4971971.46747529,1360117.31279979,4789316.69485519,1.81608874519201,{"v":1.95429194988577e-07,"d":"1.95E-07"},{"v":8.74154789183904e-06,"d":"8.74E-06"},0.596069628198561]
["NEG05186","[(3-oxo-1,7-diphenylhept-4-en-1-yl)oxy]sulfonic acid",178.062,359.09542049771,172939.643150193,176708.537345958,157171.797759257,188462.816031402,110773.93677177,1344.49588391431,5797.03367627084,6040.50522273934,949.538394226705,1347.99594134199,161211.346211716,3095.91382369864,-5.70244416159037,{"v":2.75044002501496e-06,"d":"2.75E-06"},{"v":4.39382793996139e-05,"d":"4.39E-05"},0.128205393034394]
["NEG06389","[(3-methyl-2-oxo-4-phenylbut-3-en-1-yl)oxy]sulfonic acid",30.1915,255.038467057767,18852285.2799663,18482070.9374943,18987298.7226052,18848089.2631317,18356725.9418894,925956.241173674,931119.191037822,1035378.46315379,862699.524501138,804681.793691649,18705294.0290174,911967.042711615,-4.35832114537115,{"v":7.53294499551328e-15,"d":"7.53E-15"},{"v":3.36948629649309e-11,"d":"3.37E-11"},1.37338864616607]
["NEG05807","(Z)-N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4'-(tri-acetylrhamnoside)",36.7735,482.144518084987,108124.38726145,121692.671879418,80426.1800016097,12828.5242791552,122765.731725239,200305.954701411,237831.286560906,291613.334010426,165435.885365483,247347.482698481,89167.4990293744,228506.788667341,1.35764716853263,0.00155996935904996,0.00608878092760078,0.114185167457981]
["POS05068","(x)-1,2-Propanediol 1-O-b-D-glucopyranoside",318.6545,239.109884532659,0,0,0,0,12003.8606615608,76636.3509858053,431898.187314389,659451.692366524,673817.915390914,543196.943375823,2400.77213231216,477000.217886691,7.63434763738008,0.0024686961402061,0.00904379839077959,0.206404633032866]
["POS06516","(S)-Scoulerine",179.57,328.160338917509,636767.387465979,801297.85939967,720245.028995933,511167.84256601,671978.642235187,23788.3710839397,89677.1710429796,86985.5111573624,53217.018798014,88038.6507911495,668291.352132556,68341.344574689,-3.28964666813833,{"v":2.0629563131721e-06,"d":"2.06E-06"},{"v":3.72868485092044e-05,"d":"3.73E-05"},0.248811978876921]
["NEG06083","(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine",32.3775,353.084060014961,0,0,0,0,0,1696894.06806039,2687563.82311936,2647114.09884336,2862146.98540264,2506050.69560971,1,2479953.93420709,21.2418818917475,{"v":1.93010142888752e-06,"d":"1.93E-06"},{"v":3.57781372180164e-05,"d":"3.58E-05"},0.505728262754703]
["NEG00375","(S)-Malate",676.6475,133.012807850824,62977087.5974624,67032846.1769175,49004455.4690958,65274063.3604882,51992412.8474534,9205819.6121899,10359184.2445186,9376298.69552708,8817472.51461224,11029972.5812178,59256173.0902835,9757749.52961312,-2.60234510000298,{"v":9.0555213013667e-07,"d":"9.06E-07"},{"v":2.24395332808139e-05,"d":"2.24E-05"},2.25957261004797]
["NEG06048","(S)-cis-N-Methylcadine",32.637,353.167481903454,1019315.10722594,471154.784486682,1162292.64180009,1474457.11759497,1107465.15953089,29149746.8097561,33810694.0534528,35814022.0107311,33371007.7027497,33377423.8642546,1046936.96212771,33104578.8881889,4.98278429558391,{"v":2.06654299626016e-09,"d":"2.07E-09"},{"v":8.40331529297426e-07,"d":"8.40E-07"},1.83853728862038]
["POS06376","(S)-5'-Deoxy-5'-(methylsulfinyl)adenosine",202.485,314.090447913242,6782.00093267139,0,4572.52705784125,4308.05158797846,6051.02812346381,0,0,0,0,0,4342.72154039098,1,-12.0843837333838,0.00617748424617386,0.0197370621665255,0.01874023958363]
["NEG06499","(R)-S-Lactoylglutathione",28.06875,378.097294292677,134795.24600307,137616.424329169,133292.826178194,96054.9033164231,143002.385978681,395501.317040917,432495.239553676,616975.688683848,523275.776846975,473969.821443871,128952.357161107,488443.568713857,1.92135374827706,{"v":1.68979455162144e-05,"d":"1.69E-05"},0.000157467729779223,0.19142940102773]
["NEG06081","(R)-4'-Phosphopantothenoyl-L-cysteine",32.3785,401.07523048339,497231651.789525,422926162.938439,268435267.321689,659492.015278734,320044922.292489,1134863.40845924,12555777.1981142,25016625.1675184,11507208.2790236,688409.558350022,301859499.271484,10180576.7222931,-4.88998600582791,0.00907554696696376,0.0274847133264921,4.75388138301364]
["NEG05816","(E)-4-(Trimethylammonio)but-2-enoate",36.66705,142.085939057907,162056.440042015,333920.530267443,303804.723446898,64906.0149520867,361654.017291619,1443.32623936378,0,3075.88157681162,0,1161.74615169807,245268.345200012,1136.19079357469,-7.75401212056856,0.00259513754883568,0.00944511819035149,0.146710134377733]
["POS04327","(6R,7S)-6,7-Epoxy-1,3-tetradecadiyne",30.32295,205.15408735893,910915.003313711,896144.397694259,988009.752852831,876132.40975229,863781.753461166,341327.214471372,252657.90533804,254337.753829757,308393.62090373,264811.246262569,906996.663414851,284305.548161094,-1.67365499032414,{"v":1.74379221997541e-08,"d":"1.74E-08"},{"v":2.28789574528554e-06,"d":"2.29E-06"},0.256643226765561]
["NEG05035","(6R)-2-Acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-2,4-cyclohexadien-1-one",192.2645,345.093865094129,0,0,0,0,0,474853.39424663,549943.16860093,605512.109029518,536728.585934379,583293.910525361,1,550066.233667364,19.0692458189474,{"v":8.00769578192515e-09,"d":"8.01E-09"},{"v":1.53672879690602e-06,"d":"1.54E-06"},0.240904831560668]
["POS04346","(5-Formylfuran-3-yl)methyl phosphate",32.2334,207.004614600135,13867976.9471174,18189006.0472213,13738495.1854881,14755912.7681193,10863673.5727274,4170345.64161402,6929037.88915656,5067452.46024883,6638569.29371763,4879427.61894232,14283012.9041347,5536966.58073587,-1.36713261876009,0.000141136571779257,0.000829571465924597,0.933862708698386]
["POS02884","(3S,5S)-Carbapem-3-carboxylic acid",37.6448,156.064961951818,336384.989086575,471956.807086022,456682.483711341,198968.867353288,644017.802927453,2112234.77621842,2392100.15996624,3452906.55453466,3249110.78550529,2859982.08683278,421602.190032936,2813266.87261148,2.73829215007597,{"v":1.70240901056134e-05,"d":"1.70E-05"},0.000158210343596855,0.494059143244308]
["NEG02100","(3beta,5alpha,6alpha,7beta,14alpha,22E,24R)-5,6-Epoxyergosta-8,22-diene-3,7,14-triol",533.899,443.316250074485,69111.1815050733,162005.373619316,91136.1562846064,90223.2285385592,139623.359487583,251431.627550395,414040.531866404,512930.512318914,320053.416978272,320857.137255937,110419.859887028,363862.645193984,1.72039427347263,0.000802702427166391,0.00344907584698873,0.153339474670487]
["NEG01402","(3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol",581.671,425.305910927816,77749.7300479854,89526.7157375765,48168.7121537527,90720.7945157896,65330.9069087009,11226.8354143271,61622.778989701,56455.8282101245,32511.0994827886,21855.2137783755,74299.371872761,36734.3511750633,-1.01622022119297,0.0175605612903854,0.0480124637236515,0.0538696483296305]
["NEG04076","(3-{5-hydroxy-8,8-dimethyl-2-oxo-4-phenyl-2H,8H-pyrano[2,3-f]chromen-6-yl}-2-methyl-3-oxopropoxy)sulfonic acid",382.2015,485.090445127703,12408255.6007612,11781854.356462,12187988.5357983,10705463.1625148,15341345.9547732,1442454.0588255,1677274.63975373,2406428.43315376,2126468.80220584,2419477.44910017,12484981.5220619,2014420.6766078,-2.63175678445443,{"v":1.06598327093837e-06,"d":"1.07E-06"},{"v":2.45990458722312e-05,"d":"2.46E-05"},1.03318585728079]
["NEG05913","(2S,2'R,3S,3'R,4S)-3,4',5,7-Tetrahydroxyflavan(2-&gt;7,4-&gt;8)-3,3',5,5',7-pentahydroxyflavan",34.8126,559.11903212329,1763412.87138594,1307445.80360727,1309007.82542894,2061961.26519348,1658995.9100264,257593.030646327,13726.4886814148,127244.372954813,94112.6138290492,58086.3546974719,1620164.73512841,110152.572161815,-3.87856542215687,{"v":7.81955598491295e-06,"d":"7.82E-06"},{"v":9.16865991612975e-05,"d":"9.17E-05"},0.390723450647593]
["POS02989","(2-phthyl)methanol",36.1675,159.084086676815,188683.962223153,219093.153396297,352284.35833136,222573.847599943,279168.77092681,3431962.92760224,3009864.33667139,2568455.64694308,2231296.17645598,2507557.99604914,252360.818495513,2749827.41674437,3.4457812355989,{"v":2.58707672870943e-06,"d":"2.59E-06"},{"v":4.25545327734593e-05,"d":"4.26E-05"},0.504917384843505]
["POS04754","(2-phenyl-5H-chromen-5-ylidene)oxidanium",29.7891,224.077196424066,1177427.44824076,3240279.86387515,2788289.94245374,2504061.26139649,1199266.99033343,735979.670648391,1084291.44541791,813392.156074059,854675.658975114,858525.007676487,2181865.10125991,869372.787758392,-1.32751506290669,0.0151348682808317,0.0426043208433986,0.333716074283928]
["POS07446","(2-{[2-(9-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl)propan-2-yl]oxy}-2-oxoethoxy)sulfonic acid",170.432,483.099577749422,0,4037.20453800728,4402.68558439756,0,3370.56562608374,86538.4023950687,219433.783527024,190792.747653032,261011.071396994,196681.301246484,2362.09114969772,190891.461243721,6.33654412350668,0.000182359149108739,0.00102217102000425,0.135260525459416]
["NEG04843","(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid",222.3855,229.097602443855,35952.3759909584,35834.5986039821,30621.1766715246,39196.4511350366,36667.1772122998,5281385.96172463,7883658.61934511,8330579.27086978,9322125.67047036,8617253.99628246,35654.3559227603,7887000.70373847,7.78925461847247,{"v":3.28458076691488e-06,"d":"3.28E-06"},{"v":5.04877311697948e-05,"d":"5.05E-05"},0.900034302906462]
["POS07586","(1S,16R)-5,6,7,11-tetrahydroxy-8,8,10,12,16-pentamethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-9-one",414.399,523.281769626085,258149.974398533,245444.331344854,194352.534462525,137027.011366682,111623.526627761,0,0,25569.1976948792,26850.9265379463,13143.7256921851,189319.475640071,13112.7699850021,-3.85177844879923,0.000331136435384043,0.00166673737780804,0.129408569750885]
["NEG05057","(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-phthalenyl)thio]-2-oxopropanoic acid",192.249,263.037988809647,5249.09223591062,5475.79960047682,6717.4121091775,7238.76162045364,6857.0763999593,974310.415085823,1194968.15761456,1231944.46933309,1206567.64686717,1236916.38010428,6307.62839319558,1168941.41380098,7.5338892419981,{"v":1.10821478825747e-08,"d":"1.11E-08"},{"v":1.77037312424131e-06,"d":"1.77E-06"},0.34999909072459]
["POS07333","(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydrophthalene",171.0045,452.151130462146,4458.82284787526,0,9978.57187144679,0,0,76656.4271956018,237384.610767242,242964.666252555,253244.762484184,186281.257312511,2887.47894386441,199306.344802419,6.10903340193096,0.000329597633178756,0.00166586464769331,0.136833915150092]
["NEG01847","(15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate",547.7985,319.222157233832,190451.437671698,185123.243143981,130821.236030736,236518.427212457,130412.302934812,443709.070596574,730936.177645407,851550.692019443,499378.38552562,852913.9191537,174665.329398737,675697.648988149,1.95178456987646,0.000492296960972158,0.00231064460275809,0.219032879921312]
["NEG04568","(+/-)-6-Acetonyldihydrosanguirine",288.932,388.118908717943,37396360.9287465,27559173.1689229,27815982.1378212,38627668.5206454,33150300.396747,2287143.02444516,1999622.52069067,2846710.77209036,2290396.44645028,2747371.26027394,32909897.0305766,2434248.80479008,-3.75697297383297,{"v":1.08490607358048e-06,"d":"1.08E-06"},{"v":2.48860762416693e-05,"d":"2.49E-05"},1.76629933894934]
["POS03855","(+/-)-2-(4'-Isobutylphenyl)propionitrile",203.697,188.139954249054,1714078.02479192,2103217.6571401,1906865.24023924,2091814.56648598,1819232.58785765,4081900731.48152,5411306552.12797,5197621.43306509,6762671993.00999,5494913976.08858,1927041.61530298,4351198174.82823,11.1408092828214,0.00579634836948737,0.0187473074813044,19.1276721642066]
["NEG06000","({6-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid",34.1977,819.157669506715,64132.3651148456,494318.084332798,483728.95539479,187836.789000085,429618.462493809,11529.092629712,0,46839.0095124829,27080.0054639086,19399.1667277221,331926.931267266,20969.4548667651,-3.98450442690237,0.0074107998029875,0.0230518132953846,0.1635472903878]
["NEG05801","({1-[2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl]-3,7-dimethylocta-2,6-dien-4-yl}oxy)sulfonic acid",36.8593,585.178599107946,1208303.5510519,1357344.97119442,1089096.67607967,936682.174362179,960110.047768346,81945.9379638531,106845.851329005,99265.3953291427,64792.7030375066,70355.3581194923,1110307.4840913,84641.0491557999,-3.71345794556905,{"v":1.18404273820661e-06,"d":"1.18E-06"},{"v":2.62139875361449e-05,"d":"2.62E-05"},0.325512115058302]
["NEG06072","(-)-Glyceollin I",32.3875,337.110239653504,25174368.3478176,37490996.5712759,41185737.422488,38304905.4246687,36496033.2390778,28303839.699346,618780.51983405,577709.462131524,513286.939257986,458663.755480233,35730408.2010656,6094456.07520996,-2.55158302359416,0.00138675926006605,0.00549510148610001,1.66701745025427]
["NEG05726","(-)-Columbianetin",37.4658,245.077354152855,2413331.76102766,2795131.78375206,2072365.67005139,2686541.22099221,2050159.08600894,169338.44517779,400884.21105014,487896.465187972,316077.645192184,425173.33192327,2403505.90436645,359874.019706271,-2.73957648853525,{"v":1.50407580828868e-06,"d":"1.50E-06"},{"v":3.05048674020462e-05,"d":"3.05E-05"},0.45967496079518]
["NEG02363","(-)-3,4,9-Trimethoxypterocarpan",528.284,313.114365474184,9610676.66412686,8960029.13814823,7634858.14797029,8213075.75512589,6820643.96788492,1634803.85330456,1849086.95501345,2829583.32789846,2628206.13482501,2561478.43352551,8247856.73465124,2300631.7409134,-1.84198920154616,{"v":4.24216053765473e-06,"d":"4.24E-06"},{"v":6.02173049167398e-05,"d":"6.02E-05"},0.777264517956214]
[]
[null,"Tryptophan and its derivatives"]

{"sheet":"Table S2-3","index":2,"n_rows":285,"n_cols":20,"rows_kept":285,"merged":[[0,0,0,19]],"flags":["formulas_cached_only"]}
["Table S2-3 DMs in TM-06T vs. TM-15T"]
["Compound ID","Name","Retention time (min)","m/z","TM-06T_1","TM-06T_2","TM-06T_3","TM-06T_4","TM-06T_5","TM-15T_1","TM-15T_2","TM-15T_3","TM-15T_4","TM-15T_5","TM-06T mean","TM-15T mean","log2 (TM-15T/TM-06T)","P-value","FDR","VIP"]
["NEG00066","Indole-3-ethanol",291.356,160.07551288147,5510257.17789544,6326842.61382043,3770901.51391083,5309198.63487336,6835686.78982939,1569558.00712721,2664764.10487789,2933155.72721631,2477059.27379083,2449170.67268872,5550577.34606589,2418741.55714019,-1.19838121651639,0.000587313918615994,0.0141239524622007,0.766859358053145]
["POS00039","Indole-3-carboxaldehyde",203.697,146.059521394925,79109391.7836405,97405601.9913231,95246247.3477502,124936267.765254,83855128.6850392,185374522.458877,258483280.973201,289741053.092979,310438522.529002,264618903.020671,96110527.5146014,261731256.414946,1.44531985280903,{"v":8.34303588477013e-05,"d":"8.34E-05"},0.00520774345907217,5.64701838872467]
["NEG05037","Indole",192.257,116.049061088145,3264733.74946199,4211260.5621248,4074783.89649119,5453649.81848234,3337036.11506445,8262315.396657,12997912.1618416,15175520.7283093,16085625.1113153,13225540.2416879,4068292.82832495,13149382.7279622,1.69249964599907,0.000200270198667582,0.00829452406148236,1.30837673636232]
["NEG05953","3-Indoleacetonitrile",34.5192,155.064206865227,910811.097883777,1955564.86546924,1869012.5709424,2207731.78550149,1482413.99392794,2236053.14810005,4103852.80654751,4395614.21216149,4216611.21996581,4021798.38538118,1685106.86274497,3794785.95443121,1.17117842820436,0.00166843102646655,0.0253839863312411,0.604953082094063]
["POS00064","2-methylindole",203.808,132.080409880885,36081003.1724436,43205272.6752374,43274156.4494729,57179697.7755004,37995554.3602358,86927079.1489612,119057663.690811,132157923.585201,141072242.050667,117483891.801148,43547136.886578,119339760.055358,1.45442500779668,{"v":6.0184815889723e-05,"d":"6.02E-05"},0.00472292423639879,3.83021376247881]
["POS05347","2-(4-Hydroxybenzyl)isoindole-1,3-dione",43.7528,254.076046377886,142248.938238877,256882.392574114,161958.956836246,229609.264776733,1680538.21136335,1403717.70323424,2333929.61680637,1812761.01314567,1938581.12087564,1512245.88976855,494247.552757864,1800247.06876609,1.86488919024885,0.00494052161888645,0.0485691279148991,0.45694894998636]
["NEG00086","Tryptophan",217.981,203.081690648956,4072872.26714401,3850706.54147851,4650759.55194038,9947210.52453854,6460712.5285502,9779486.0509106,16414129.977584,16240639.9897995,22584401.0455454,18653021.2271482,5796452.28273033,16734335.6581975,1.52956920384516,0.00172209786949809,0.0255911753164949,1.40070533215332]
["NEG00526","L-Tryptophan",675.037,203.081680767859,638403951.839333,776982180.939327,751372081.620703,983178935.220926,640531593.558442,1465559913.99564,2030875213.81466,2351121628.99543,2516170345.70128,2124531397.13461,758093748.635746,2097651699.92832,1.46832697513315,0.000107833524612001,0.00592368303518091,16.0273408996863]
["POS00307","5-Hydroxytryptophan",182.912,221.091301182781,7355450.89794972,9473798.92929733,8881997.99928099,14159494.3640738,7143979.57702408,14436430.2365985,20798601.5710178,23405813.2416554,25650073.1766503,21194490.5753167,9402944.35352518,21097081.7602477,1.16585896769318,0.000863561224612735,0.0184764335775705,1.46027645400632]
["NEG05192","5-Hydroxy-L-tryptophan",177.263,219.07671113906,1191163.62315071,1599816.0916606,1392465.1637764,2484044.18168597,1246884.64219541,2381979.47462782,3300392.13714582,3578981.21602334,3725603.53913331,3292263.42735802,1582874.74049382,3255843.95885766,1.0404844644726,0.00100641262761092,0.0198750296061885,0.550092244903668]
["NEG05027","Tryptamine",192.316,159.091440742652,1055764.38717652,1347141.5036419,1320824.06466602,1600215.57617894,975449.755452537,2596652.53625138,3430248.74840157,4122031.26315778,4510803.90586386,3697278.28341191,1259879.05742318,3671402.9474173,1.54304621490411,0.000112248099702943,0.00594415492241113,0.680932549946745]
["NEG06202","Asparaginyl-Tryptophan",31.5874,317.119649642799,869428.319141631,1042121.91962463,726890.59333742,570885.637992588,1067088.44470614,370643.242126724,326843.559449427,308332.123373632,293838.336531379,323743.462447433,855282.982960482,324680.144785719,-1.39738267389436,0.000520709991140748,0.0134753935343541,0.315446848087193]
["POS04267","alpha,beta-Didehydrotryptophan",101.4622,203.08076183638,2242580.50351826,3119457.78030427,3156163.41029404,3917263.08975604,2460058.23745532,4489808.87187024,8593440.12594583,8702720.87036362,8671522.42044629,7771545.97129752,2979104.60426559,7645807.6519847,1.35979012496415,0.000625245633234409,0.0149557418045856,0.917437962764387]
["POS07917","4,4''-bis(N-feruloyl)serotonin",34.93355,703.267193103014,1158569.94782304,408997.747195633,598328.604095865,801508.524098474,545818.961779702,19929.0639715288,51783.5129863513,16612.8789301399,21231.2920557016,0,702644.756998543,21911.3495887443,-5.00304522384805,0.000807267601296455,0.0179565254170894,0.349885640782375]
["POS00033","Isoquinoline",203.679,130.064761833995,25649412.6878559,29907847.4934614,29912004.4557296,33954071.1799368,25862118.4212041,47830790.8307642,59982951.8955933,61832872.2655184,68487791.5778354,59474432.2333626,29057090.8476376,59521767.7606148,1.0345271045183,{"v":3.36677960448963e-05,"d":"3.37E-05"},0.00348509137740672,2.44459558804896]
["POS06813","Quinoline-3-carboxamides",326.145,360.111686420316,239100.498513661,266664.660932859,143284.134095191,242858.950795575,253206.491718593,534052.32617991,664095.491594581,855504.892168406,588442.104455986,706489.704502861,229022.947211176,669716.903780349,1.5480592243903,{"v":7.47806520983982e-05,"d":"7.48E-05"},0.00500510442050421,0.287045183450459]
["POS02539","2-Aminoquinoline",291.111,145.077537283515,252445.317232815,374088.093870553,208914.959832905,301859.861461984,400420.241888211,2941262.4277293,5884900.39883049,5863286.49294173,5558164.78220813,5110545.28216546,307545.694857294,5071631.87677502,4.04357734579577,{"v":2.51404324470223e-05,"d":"2.51E-05"},0.00306416606439352,0.95782309438384]
["POS00347","Trp Ala Met",204.1035,407.169910975791,609929.529130653,839911.553402703,1027713.3589499,1472271.47043631,355371.205988004,3195824.5389062,4607889.02794344,5546567.05271291,5029333.9766016,4539780.15320212,861039.423581514,4583878.94987325,2.41241774667256,{"v":2.65428754260462e-05,"d":"2.65E-05"},0.00306416606439352,0.850684765872619]
["NEG00007","Sucrose",34.7826,341.108573195555,56783638.6542259,65306611.8903844,52389290.8716409,67091553.19893,67614663.5411795,20747236.0060763,26104154.8299965,30002087.7879137,29447694.1126396,26969391.5845389,61837151.6312721,26654112.864233,-1.21411570147842,{"v":7.81238048721955e-06,"d":"7.81E-06"},0.00172297086670396,2.64814606888538]
["NEG00095","S-methyl-L-Thiocitrulline",192.285,204.079201860592,4043485.65155876,4882970.77409862,4917488.11746318,6181068.48002504,3995103.56255717,9506831.67608443,12993015.9922636,15334589.0445786,16025204.463533,13712725.8779722,4804023.31714055,13514473.4108864,1.49219024006778,{"v":9.0965119557839e-05,"d":"9.10E-05"},0.00542515973042952,1.29383270808087]
["NEG00088","PG(18:1/11,12-EET)",533.276,811.514985265012,868749.407374353,907615.497816236,560974.098374626,774207.599552254,589150.156999164,194560.045528674,371340.65351346,498148.468914434,327036.165969291,305143.002925928,740139.352023327,339245.667370357,-1.12546653360255,0.00166203881184059,0.0253730361957781,0.268674791823202]
["POS00251","PC(14:2(Z)l8,8/0:0)",377.492,466.291378867044,1753600.80169167,1551886.68612234,760494.410358631,1128655.75504505,1598380.67663969,243117.534182581,306555.795477516,550621.657838097,415864.755248246,413562.02665888,1358603.66597148,385944.353881064,-1.81565989482797,0.000888174526388399,0.0186516650541564,0.422719744651968]
["POS00271","PC(0:0/12:0)",363.584,440.275736112263,1862218.10327158,2109226.65994926,1012875.23259537,1868012.5825896,2019068.82621416,621960.654421735,631708.732447086,1049287.31335554,1078684.0637682,698690.640625598,1774280.28092399,816066.280923632,-1.12047569064827,0.00249500240161441,0.0321049761077853,0.407741109294266]
["POS00327","Melibiose",34.9421,360.148716548427,201575102.042422,127631082.321828,138574336.437739,142546563.191726,132307886.926773,63168495.7188467,67234812.2931696,55404896.7733895,56525785.28475,53750185.3694701,148526994.184098,59216835.0879252,-1.32664586769254,0.000188858610459071,0.0080453768055564,4.10708090906624]
["POS00110","Idazoxan",203.657,205.096463570434,3223122620.79626,3940644303.01066,3868788260.87129,5067159541.14725,3367696062.96877,7490073405.87923,10533636611.7784,11513665397.2103,12620870413.708,10758407179.6881,3893482157.75885,10583330601.6528,1.44266079867489,{"v":8.26289618860677e-05,"d":"8.26E-05"},0.00520774345907217,35.9165877384039]
["NEG00021","Histidine",34.4275,154.060826380478,16245021.949453,32692958.0929908,28434564.5761333,34721599.9494533,22321547.5064429,37235894.837629,63583179.0094204,65477047.2178182,65575848.1993422,60397311.4197339,26883138.4148947,58453856.1367887,1.1205966285892,0.00111386666332315,0.0208177228188703,2.36468884473686]
["POS00310","Glu Trp Trp Asp",204.252,635.243956348139,0,142603.741271038,66972.3036888393,126022.184052567,77935.8726568757,268707.047851586,356993.029632984,187640.480008076,481762.341166784,287809.10708488,82706.820333864,316582.401148862,1.93650284833042,0.00288978263252132,0.0354136923705969,0.20405670147782]
["NEG00032","gamma-Glu-Cys",32.375,249.054536266213,40073236.9435177,60523516.6524729,36859794.4671841,42598350.412648,56670757.6329189,23170204.4435635,22575409.4823852,26190878.1956519,21884228.283192,23039087.9577632,47345131.2217483,23371961.6725112,-1.01843724397314,0.00103268598802133,0.0200834974974758,2.09696767029417]
["POS00106","Galactotriose",34.8689,505.174796724358,4486929.89709211,4483890.84068783,3615634.88092135,5939749.5813545,4810099.1689341,524712.787579667,1506811.54976915,1210912.71507236,1426766.52130396,856145.37486442,4667260.87379798,1105069.78971791,-2.07843862350566,{"v":2.74014403254507e-05,"d":"2.74E-05"},0.00306416606439352,0.834530505793281]
["POS00181","Cellotetraose",34.859,667.227031766185,2393113.15942583,2158206.11671048,2100651.32110964,3407460.64090235,2494637.05744937,183803.485195532,597959.000123222,340548.955824999,594277.865840556,343467.571234098,2510813.65911953,412011.375643681,-2.60739888656976,{"v":2.99551569571931e-05,"d":"3.00E-05"},0.00319022421594107,0.637661963652769]
["NEG00042","6-Phosphogluconic acid",25.6185,275.016833425907,1099378.6847184,1133714.23910594,670365.40672685,763799.605836787,1419524.09216819,179358.327048076,323403.262850108,377833.989001225,333996.6718114,369213.001263681,1017356.40571123,316761.050394898,-1.68335832573272,0.00105060132912097,0.0202557747636125,0.358966935889657]
["POS00179","3,4-Dihydro-4-[(5-methyl-2-furanyl)methylene]-2H-pyrrole",291.1125,162.090763630832,220769433.357523,272557108.879099,164079093.467874,226850416.701028,301056061.071613,67782673.5720411,134531533.90423,135330815.191468,124545336.198028,116185049.276386,237062422.695427,115675081.628431,-1.03518887909564,0.00184732618719082,0.0267542275762374,4.68074193805056]
["POS00232","2-Aminoacridone",371.882,211.085807870457,3302072.22866917,3557781.25409672,2382704.81055421,3749503.90080744,3517746.64382546,5601767.3510134,7451413.10475239,8934123.96139959,7396266.32037559,7850767.90819312,3301961.7675906,7446867.72914682,1.17331031688667,0.000108594234045346,0.00592368303518091,0.880713145476442]
["POS00053","1-Naphthylamine",291.112,144.080303401994,101876652.136926,125800528.168124,75103027.2363814,104207917.599466,138591505.534418,31454143.643276,61282681.8128508,62738126.9280557,56965027.3356377,53047096.6347161,109115926.135063,53097415.2709073,-1.0391481482731,0.00186017544739768,0.0267542275762374,3.17964910222377]
["POS00200","1,5-Naphthalenediamine",203.808,159.091118243671,57574910.1033677,71894099.9544875,72502744.4750507,93927491.9484587,63448248.9695498,137150541.510649,190182223.472843,211722660.042188,225809129.841517,196084230.420129,71869499.0901829,192189757.057465,1.41907991227052,{"v":7.80000981570474e-05,"d":"7.80E-05"},0.0050698683288736,4.81622814803629]
["NEG02497","Z-Phe-Phe-CHN2",523.567,399.220283295841,153892.111671479,192544.419821728,155984.151912981,149539.409973567,179707.854414872,46172.3707064986,60115.7104280391,80417.6345612664,71448.8170833945,69813.7905892092,166333.589558925,65593.6646736816,-1.34245115240156,{"v":9.44808973706427e-06,"d":"9.45E-06"},0.00173393889527413,0.142104237719132]
["POS05986","Zolmitriptan",421.44,288.167969643671,284673.272343469,272369.495942662,221963.365712419,307657.434634497,355235.952817512,113092.640800309,120696.079693439,145500.959800893,68432.8960546796,112838.462068132,288379.904290112,112112.207683491,-1.36302725510079,0.00011074708003636,0.00594415492241113,0.185682218171073]
["NEG02964","Zn-Bacteriochlorophyll a",483.8635,949.47878068955,156180.181246167,174376.633316635,123190.424451175,148895.135272317,154051.471200821,33364.9874738785,72447.4525909296,117121.14021428,67072.1381798011,80096.3839379298,151338.769097423,74020.4204793638,-1.03178638011085,0.00117776886104003,0.0212425811106131,0.119683923927017]
["NEG05071","Zizybeoside I",192.246,431.159888397604,139685.255558546,223867.265423581,166595.209518243,341398.064294036,122558.566466215,542164.618347512,613817.012751567,641643.398520093,823765.324698536,767003.313896735,198820.872252124,677678.733642889,1.76913227944816,{"v":7.82072243890629e-05,"d":"7.82E-05"},0.0050698683288736,0.307124669454961]
["POS07464","YC 170",34.8696,488.167791646351,352049.036410584,300154.620418764,391442.568556667,648520.398744359,452847.766873338,0,62000.2365509033,18665.0891917816,75068.750985263,15529.6562650266,429002.878200742,34252.7465985949,-3.6466957447674,0.000216777762963885,0.00879122372612921,0.270880813767455]
["POS04289","X-Trp",204.287,204.088870591423,2363609.05341005,2978319.54153704,2616087.87570811,3631446.41209,2403139.83597432,4865013.13502363,5552634.94810096,7908600.60599996,7749026.40444981,5070975.47412209,2798520.5437439,6229250.11353929,1.15439416141567,0.00122843562719262,0.021804732382669,0.782144541939002]
["NEG05902","Vitexin",35.0457,431.104119711863,1029436.06669587,831408.099891806,537685.043035105,595610.573197859,808024.116976768,186971.078091815,24098.646137527,14640.2183142998,41671.7459307017,108090.914585866,760432.779959482,75094.5206120419,-3.34004117533571,{"v":8.58328621526917e-05,"d":"8.58E-05"},0.00520774345907217,0.362920343561288]
["NEG04363","Vilazodone",332.302,440.2051879796,24452.4891867818,33758.0134643656,10893.8199317045,26751.0218395582,34714.3017124528,0,2613.94084120962,6348.62042956331,6465.52900886602,1434.12072996307,26113.9292269726,3372.4422019204,-2.95295392570307,0.000957138749777819,0.0193095668722847,0.0643989048757193]
["NEG05047","Vernoflexuoside",192.257,407.172139442333,24755931.4929671,35508542.5816151,33266154.1858645,55210947.2971607,23100836.5050299,119159571.030083,192250073.395727,252341729.36887,285346904.79614,218685517.685834,34368482.4125275,213556759.255331,2.6354615071918,0.000259414934697494,0.00941040540038131,5.81110361446023]
["POS05580","Ungeremine",225.3685,267.08774150665,285494.822334483,1093545.70143063,613360.614660548,681199.196667175,672941.810103063,1161909.88615193,2460160.49593905,2628502.69321536,1753306.35396221,2151372.08208353,669308.42903918,2031050.30227042,1.60148288243686,0.00165480713492707,0.0253491517620848,0.477886654111053]
["NEG05710","Ulifloxacin",37.6782,348.079294555862,778158.445824208,1057582.93960287,1207323.64160706,709669.672107115,1070530.6464083,449805.654125135,602007.958560095,467665.491390513,361515.077860021,479306.932823437,964653.069109911,472060.22295184,-1.03103925749094,0.00130815084422405,0.0226796849853263,0.300410932459089]
["POS07620","Trichotomine",34.8722,533.153648869081,4330821.44809018,3470101.41005172,3362533.1106453,4758148.27180863,3564250.99428006,331832.967142298,1273658.19240434,848646.663998096,1010031.97387579,616737.008594853,3897171.04697518,816181.361203075,-2.25546558297939,{"v":1.09065972781424e-05,"d":"1.09E-05"},0.00187635421635119,0.78017997925423]
["NEG05095","Tributyltin chloride",191.77,325.082662704332,76880.6235606015,78079.3983149377,52126.2823743908,105703.687507496,54079.0756317182,181840.008478737,255005.07543878,373868.071888114,395211.84459357,282529.465521379,73373.8134778288,297690.893184116,2.02047791420596,0.000541977083505211,0.0136194578343753,0.203316861578785]
["POS06103","TRAM-3",276.938,295.092087213677,0,34535.9414975209,0,0,0,73824.0290758499,135616.848664109,180886.111188395,135541.670224649,132314.711945237,6907.18829950418,131636.674219648,4.25231911829408,0.000139573955769628,0.00678602504519071,0.152094776676572]
["NEG02806","Torvoside D",500.694,725.424433726865,1475785.28890402,1044993.01082169,627249.491030201,897664.279740987,819030.930527271,232462.815514163,332486.167531496,382037.130771876,302533.840445767,217110.419695696,972944.600204834,293326.0747918,-1.72985233674268,0.00162935858890474,0.0250501661884632,0.347826030960742]
["NEG04382","Tolylacetonitrile",326.6805,130.064769219485,463938.615305627,568013.331457167,477548.184279644,955549.416474272,362741.282891581,892517.641644206,1362797.38176595,1640108.16791876,1843511.86729283,1327875.96039561,565558.166081658,1413362.20380347,1.32138391989075,0.00216512195108829,0.0295261905098108,0.38611391964572]
["POS06295","Tolnaftate",325.3485,308.116983349276,157699.957556814,257728.176710686,208144.104643019,179694.315155211,234500.20358158,300143.679676552,523592.551735869,488849.175867289,364312.892760466,527725.082436796,207553.351529462,440924.676495394,1.08704999164156,0.00149906435332075,0.0241831091827781,0.19855747724687]
["NEG05977","THF-L-glutamate",34.38845,573.214410256441,468760.591570072,812271.053874482,399677.925270088,416480.312618225,686434.072500431,47851.4356432367,46462.1583104821,135992.178653395,28019.5433613997,76123.7483050702,556724.79116666,66889.8128547167,-3.05710591440281,0.000393064109333612,0.0117211717403283,0.304690514191655]
["NEG05923","Tenitramine",34.774,415.109302811909,697918.840087567,754152.174060839,870624.086566922,1084479.27613561,847349.235950059,252705.457821945,220589.064917735,339154.84942906,120453.308475898,309973.258060137,850904.722560199,248575.187740955,-1.77531530285956,{"v":4.87682837256439e-05,"d":"4.88E-05"},0.004115859115185,0.342115980428455]
["NEG04210","Taurodeoxycholate",362.854,498.283551019356,410321.675556473,481143.95039376,230787.747150336,435220.249506165,437681.375447585,130616.763639063,143304.283201458,239593.761240379,254001.111848494,167680.61748522,399030.999610864,187039.307482923,-1.09315933639244,0.00295336595232643,0.0355166642243857,0.19060094606823]
["NEG05701","Sulfamethazine",37.75685,277.078721582663,103442.777669496,64858.0902014258,55528.1564232302,37996.0863211134,71998.8292851765,145894.953155573,193708.236247947,198991.89566847,130668.754305848,179584.354097821,66764.7879800884,169769.638695132,1.34641914773141,0.000334139953382134,0.0105254085315372,0.135504731672235]
["POS05268","Sudan I",451.098,249.101331777286,7130.06042035231,28876.4108109297,9034.04113523377,9820.59871435106,32549.742887837,118578.898773601,111095.751647108,142946.854784697,238686.849966816,162279.121735488,17482.1707937408,154717.495381542,3.14568010208033,0.000387757537552832,0.0116405333253276,0.161879701309586]
["NEG05988","Steroid O-sulfate",34.26845,335.128942509709,188883.830897793,400708.670211594,344293.986690564,673575.709705893,328614.072749858,660615.527256794,1266306.15618174,1360438.03927362,1164241.30531399,1231275.02608931,387215.25405114,1136575.21082309,1.55348546234645,0.000917852377662667,0.0188809386232614,0.364377227941565]
["NEG02221","Spirolide B",529.346,692.459079865992,1197852.92170122,1026613.4095713,682714.741123327,574002.985855886,746345.026724647,178862.297788122,300016.199351971,376990.339480374,222751.201666758,245257.62778202,845505.816995276,264775.533213849,-1.67504486530384,0.0013218247525847,0.0227981425227012,0.325259061514155]
["POS07826","Soyasapogenol B 3-O-D-glucuronide",204.509,635.411204300687,925511.905815798,996071.675992603,302291.254514548,1312454.65790537,656200.583523735,2317134.53070243,2554749.70263669,1339577.00778311,2621562.30167596,2832271.92303929,838506.015550411,2333059.0931675,1.47632981023967,0.00137205281891385,0.0231681838754344,0.524442624930603]
["POS06102","Sodium citrate",36.41425,295.005289749729,326258.974044803,189268.111031336,198663.00699981,180058.089314739,365196.075940057,783231.614617829,588566.969189722,614011.689603824,460292.173259812,506957.958937505,251888.851466149,590612.081121738,1.22942359728634,0.00105756108826741,0.0203024495614597,0.244094304835693]
["NEG05046","Sodium 3-ethyl-7-isopropyl-1-azulenesulfote",192.257,299.070235394398,576266.269186315,683737.619998793,725309.370193306,773607.205341958,615959.472563297,1087478.42468319,1429113.39030107,1500274.49139826,1655178.30893686,1408319.5689107,674975.987456734,1416072.83684602,1.06898738977943,{"v":7.28024784132639e-05,"d":"7.28E-05"},0.00500510442050421,0.378511352737723]
["NEG05880","Sitagliptin",35.3213,406.108605202823,2477707.29200452,2554450.83468428,2114030.77742657,2050829.99059332,2591037.32599822,949955.058458938,416098.907474931,611184.4662449,497797.689119273,455586.609965994,2357611.24414138,586124.546252807,-2.00804668402833,{"v":2.37741331143296e-06,"d":"2.38E-06"},0.00134390579868037,0.596806148372212]
["POS04230","Simazine",239.506,202.08548843167,77275.1947334796,86138.9289330107,65500.314454428,73900.5213065225,56907.4722552947,76750.2547906451,170862.178933928,178399.864285426,190840.218278419,177431.554683439,71944.4863365471,158856.814194371,1.14277094465205,0.00360192329143806,0.0403231479065212,0.120535593065261]
["NEG05947","Silidianin",34.524,483.132853328442,10132339.1173614,12378851.4924708,10755951.5447683,16185810.3923194,13405952.7126979,3526547.45616056,6008876.61238078,6691685.06411883,6749632.08319639,5602320.32478401,12571781.0519236,5715812.30812811,-1.13715860362079,0.000509018929200861,0.0133148635690962,1.12261863053786]
["NEG04516","Shihunine",298.1435,202.08643725143,1866055.76801164,2236918.79974819,1334464.28236102,1697270.98120937,2511834.21446956,368057.975201995,763531.545277102,818561.897034311,538412.826655424,599759.57508371,1929308.80915996,617664.763850508,-1.6431881464276,0.000347010767354524,0.0107046838784606,0.501305406654909]
["NEG05050","Sesartemin",192.257,429.153877490826,6396062.0765405,8085149.02057813,7949605.17172559,11014332.2417016,6089161.95162119,18000006.717177,25227126.7536404,30089425.8265437,30293150.5371745,26645208.0119931,7906862.0924334,26050983.5693057,1.72016067607112,{"v":6.5929062532044e-05,"d":"6.59E-05"},0.00483443765091529,1.87057519505968]
["POS05904","Saphenic acid methyl ester",319.1965,283.106574145048,11645.9057747434,50379.8220105384,14384.8346625493,59951.4423129531,26137.3383872515,89716.0537193578,118148.00997232,192697.131706843,266189.434133925,181873.005063343,32499.8686296071,169724.726919158,2.38469097245538,0.00282579607826132,0.0350083042527589,0.155456411865377]
["NEG04633","Saphenic acid",275.385,267.077421254572,29467.119079102,34620.0753237603,16934.6801801868,33794.934962565,35209.8215171844,52727.6346262274,62440.7041681922,91986.1128442496,76907.6735542042,75829.6098403296,30005.3262125597,71978.3470066406,1.2623443562705,0.000527206319810409,0.0134753935343541,0.087127718180385]
["NEG04990","Salbostatin 6'-phosphate",194.716,400.102614465199,4222.76197981049,4043.83984084585,1755.95278153113,3599.6516109886,3642.91952736294,0,0,0,0,0,3453.0251481078,1,-11.753645125925,{"v":5.04645700248507e-05,"d":"5.05E-05"},0.0041801485503918,0.0259151354770374]
["NEG06109","S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine",32.1558,251.050459246224,2902996.5430595,4804362.84873102,2704817.2732098,3632737.07911893,4825995.30867234,1831308.89409511,1495701.205936,1767592.53326359,1361071.65173666,1554154.81232061,3774181.81055832,1601965.81947039,-1.23632055652992,0.00150840318846302,0.0241831091827781,0.625264773600239]
["NEG06590","S-(2-Methylpropanoyl)-dihydrolipoamide",26.5549,276.108321891562,99590.2473870814,83977.7697801875,48060.5135512397,70431.7380410688,107754.496863081,34815.3046211693,11693.3237489891,30631.8677247497,5261.76658775915,35531.5214507416,81962.9531245317,23586.7568266818,-1.79699490357879,0.00150023904733947,0.0241831091827781,0.102509016267763]
["POS06881","S-(2-Chloroethyl)glutathione",35.1363,370.082056463816,908005.853158273,479549.879053368,633150.408375749,687838.01736996,623188.552706071,269607.880839408,400865.284560526,246173.943147306,232631.297726753,219944.173175008,666346.542132684,273844.5158898,-1.2829156759502,0.000924418859488989,0.0188809386232614,0.267070477183045]
["NEG05951","ringenin 7-O-beta-D-glucoside",34.52185,433.119056632592,334759.294147799,534546.980848293,495240.72934122,842924.956249762,614621.460720551,18854.7380633861,35068.5476085427,44055.4075866507,80875.665125366,23420.5303062824,564418.684261525,40454.9777380456,-3.80237661354412,0.000247944986294078,0.00939370569686865,0.311889379990776]
["NEG04515","Pyridoxine phosphate",298.565,248.034999034639,81939.4738792993,82835.672757948,54080.1471138638,113272.093943609,90735.8369204551,0,22129.0581837203,19456.0182384031,21212.1955687367,13463.3239479482,84572.644923035,15252.1191877617,-2.47118138797964,0.000151910034460857,0.00730638262519798,0.114810901149573]
["NEG04305","Pteroic acid",342.514,311.082499600472,25935.2466252434,55548.7658988125,40210.1567128917,49645.6151583465,53487.4311187464,59370.6775668076,143378.606846731,147166.164582033,147147.107680123,120253.95306826,44965.4431028081,123463.301948791,1.4571936903364,0.00214485458401862,0.0295197986286625,0.115358255773912]
["NEG04159","Pteleatine",370.982,289.134492666064,305989.027914969,367373.157487798,289035.794875185,558479.765799979,357614.022454328,26839.6325704702,68619.1498598981,108080.92960823,70769.0742870359,82825.5763511482,375698.353706452,71426.8725353565,-2.3950359355335,0.000287200120464516,0.00981575050944214,0.237888329414204]
["NEG04291","Psilocybin",349.0955,283.087394601013,153720.722678108,160841.45711358,102025.567105038,345957.931526331,243853.142703885,62749.9490602354,24718.9048361152,33086.297137293,14809.4359995057,34606.5632367429,201279.764225388,33994.2300539784,-2.56584033823582,0.00488300883109102,0.0483925510608538,0.165614242756477]
["NEG05191","Psicofuranine",177.278,296.099659458891,1149620.12478991,1716744.0086779,1143070.04272469,1352106.8028815,1755873.39504423,442749.481706151,753107.266419446,797910.751919081,599348.112401827,888044.444881287,1423482.87482365,696232.011465558,-1.03178508371672,0.00154502195070342,0.0244402939910873,0.36371013656661]
["NEG02094","PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",534.995,834.521859174513,52865951.7544977,39712760.6722365,25310849.6136003,33422625.8843532,33436610.0927278,13458240.3266914,18624861.3639399,22029910.9169557,17112719.2877848,16751721.1395704,36949759.6034831,17595490.6069884,-1.07035923752207,0.00375825315421856,0.0414055821645803,1.82535466677976]
["NEG02505","PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",522.937,806.490611302573,17865789.0090926,11068010.5912981,6821239.07897065,9347134.68572769,9907264.99912171,2695291.22869548,3703173.6605891,4410226.6481036,3057833.91229064,3384680.03826843,11001887.6728422,3450241.09758945,-1.67298199467546,0.00379088056639101,0.0414263172874927,1.13671585254975]
["NEG02161","PS(15:0/16:1(9Z))",530.9595,718.474542840259,4170518.06685655,4026767.67693079,3271637.3745434,2902522.63680192,2910454.1503629,972604.933603572,1570713.53363695,1718793.71050168,1300398.1181564,2052799.81942289,3456379.98109911,1523062.0230643,-1.18228713722257,0.000362052000260623,0.0109422878186876,0.603716036657467]
["NEG02805","PS(14:1(9Z)/18:3(9Z,12Z,15Z))",500.702,726.427994819,595456.730750846,378532.032541468,223025.054392663,343594.30579145,280845.492794378,90325.6446155037,106728.810844315,148220.572697388,107222.434154087,66183.7861016115,364290.723254161,103736.249682581,-1.81217013816576,0.00391312018507802,0.0422787115648647,0.21027616193261]
["NEG03889","Prostaglandin D2-1-glyceryl ester ",405.884,425.250299781787,9407.68333202785,9360.61425942008,4587.98862468642,10944.5590164228,13677.0161898796,6389.80051840777,3131.20779489565,1098.72517738407,1190.3535215865,1732.20683983432,9595.57228448735,2708.45877042166,-1.82489672248747,0.00471753836067426,0.04731289033026,0.033898662285388]
["POS05881","Propetamphos",362.517,282.094395002948,10150.0233818539,33381.8962587419,9497.90448263287,50764.7411731159,12832.6126817775,62872.6215819239,206268.111702751,254621.182977502,209996.360669018,146711.073378005,23325.4355956244,176093.87006184,2.91636876057792,0.00205092142151987,0.0286680359951825,0.160781406380615]
["POS05921","Procymidone",31.3937,284.020827952663,362704.030883937,520326.692326772,330612.362985187,418408.810773523,397706.019660923,159686.960454484,134785.228900078,227814.341525673,26584.7334635427,119463.093503452,405951.583326068,133666.871569446,-1.60266572407594,0.000346848767656146,0.0107046838784606,0.228410149851968]
["POS05683","Procaine hydrochloride",377.4905,273.135799577877,65379.43203731,59465.3585783674,23526.0875250745,34719.1427418455,90148.8889163575,7679.9031958261,0,0,10242.0938861325,0,54647.781959791,3584.39941639172,-3.93035962738683,0.00273488336920219,0.0342664798611804,0.0942036515498028]
["NEG05967","Pradimicin C",34.50465,825.248842366818,351375.742567902,502328.162212722,228444.186727764,544319.241396716,443370.978241129,0,0,0,28850.282812109,0,413967.662229247,5770.0565624218,-6.16478880206536,{"v":9.43957950836996e-05,"d":"9.44E-05"},0.00555568936064985,0.279115731627094]
["POS07928","Pradimicin B",34.8702,709.224333219687,511242.01891568,602835.847742651,480085.829245978,475793.945641107,485233.046559546,101132.993732902,232705.629729823,162399.266070602,181036.741898975,82792.2917240105,511038.137620992,152013.384631263,-1.74923260308779,{"v":8.9326389328188e-06,"d":"8.93E-06"},0.00173393889527413,0.268449694983648]
["POS07567","Piperacillin",178.5865,518.171364329507,547531.807748081,525557.980813108,346849.079188695,540876.262338245,638528.878078043,127748.752227204,213151.756462131,248263.628204464,169347.550964968,157825.366239424,519868.801633234,183267.410819638,-1.50419731463099,0.000196175867639133,0.00820088463504523,0.254915131608826]
["NEG03531","Pimelea factor P2",425.4775,637.343993639761,65012.4822639848,96065.3581515877,51209.0046239632,99474.3799442614,107376.021771351,9802.31538188316,35625.1289348464,36913.0806746206,21125.5069957283,28078.594105962,83827.4493510296,26308.9252186081,-1.67187042045954,0.00135111520901154,0.023066940190491,0.102366495469237]
["NEG05931","Piceid",34.7428,389.119167799685,1917295.18548384,1764837.78433634,1417122.77199202,1506518.7544147,1747296.98602061,465396.046707433,237933.248384292,571229.539462727,366933.965616495,494639.29777993,1670614.2964495,427226.419590175,-1.96730591836713,{"v":2.9248725495863e-06,"d":"2.92E-06"},0.00135801697260123,0.50006862909602]
["NEG02502","PI(16:0/16:2(9Z,12Z))",522.999,805.48727252724,38991278.9531188,23631454.7510828,14771547.3102718,20530643.0383061,21216722.9123156,5935768.26744907,7985652.90309051,9517385.923614,6857535.54975232,7509522.25434963,23828329.393019,7561172.97965111,-1.65599584251165,0.00415403790134907,0.0435582615521295,1.66246813282551]
["NEG04299","Physagulin C",344.6135,541.241527520882,64085.2614134715,42169.4576495447,13452.0750970094,23464.742037861,52433.9866532751,1472.06820228497,6182.29556686705,6769.04667494407,2217.10029912811,0,39121.1045702323,3328.10214864484,-3.55517548527196,0.00503946619372235,0.0492173193985154,0.0780980697903092]
["NEG05029","Phenylacetylglutamine",192.29,263.103502386917,458421.144719782,573963.050800035,522522.796921857,699550.56706933,464524.218868712,1080245.61661472,1356327.67546287,1631748.33103007,2007945.64115229,1453544.68786159,543796.355675943,1505962.39042431,1.46954735281519,0.000321429812452083,0.0104036252262476,0.426896889681255]
["NEG02677","PG(a-13:0/a-13:0)",512.773,637.408449913603,217711.764095089,224732.203963102,123674.157151359,163930.843364771,107637.740983372,53453.4310887178,56122.4327272496,86777.5831761211,36054.3825710978,36673.7307157623,167537.341911539,53816.3120557897,-1.63836725558173,0.0021168250052283,0.0292239452110685,0.14181936061638]
["NEG02156","PG(16:1(9Z)/16:1(9Z))",531.1175,717.471125363021,10038374.6650248,13494042.8143662,8734757.23265464,6822322.82611558,6970017.46491847,2306782.12503566,3893143.92758175,4286415.67151842,3128086.98918184,3583360.90222695,9211903.00061594,3439557.92310892,-1.4212760687092,0.00189500139563474,0.0271677603931865,1.01509232982296]
["NEG02350","Perphezine",528.471,402.131587658428,68716376.5470367,82685911.8168439,62150295.4375935,87932187.6471244,84970812.600757,17827136.9648515,23622801.3302912,27782272.1491675,26812545.4176723,24632710.289172,77291116.8098711,24135493.2302309,-1.6791463026205,{"v":8.47425867817729e-06,"d":"8.47E-06"},0.00172297086670396,3.25076285415745]
["NEG02106","PE-NMe2(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",533.364,810.511886973874,6837078.37270236,6113425.1432374,3825303.49117343,5364354.1893907,4434032.99581644,2087878.03073554,2767140.9656354,3461072.5995586,2426445.70940825,2360038.37334162,5314838.83846407,2620515.13573588,-1.02017550385685,0.00191956730989696,0.0272578558005368,0.693073777782187]
["NEG02403","PE(DiMe(11,3)/DiMe(9,3))",527.216,794.49091759381,1232582.39437955,1110644.7508331,686688.749798351,917354.195701968,775291.377848779,284307.519239759,456163.920163069,454731.091694344,562297.212372243,400785.084575973,944512.29371235,431656.965609078,-1.12968430544582,0.00172784743858176,0.0255915946780669,0.30004953783964]
["NEG02973","PE(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",482.679,706.429984180192,50049.8786186101,80112.8171516035,72191.3874400081,67317.1349148416,41073.4815355879,0,21574.0522797342,9555.21082535853,25591.1057494512,14495.9041148361,62148.9399321302,14243.254593876,-2.1254509427679,0.000492941365050831,0.0130528564356762,0.0934232328219718]
["NEG04562","Pantethine",290.723,553.226086069799,54633.1468040102,69091.068718156,28457.9543457628,51822.3963980915,86140.2490409613,0,19509.4032367863,5974.96799413611,4498.99312989918,4415.70097518227,58028.9630613964,6879.81306720077,-3.07633187831763,0.000996469067049605,0.0198750296061885,0.0972100056808514]
["NEG02398","PA(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",527.223,793.487414135688,2899248.93472314,2466725.15324675,1483403.04384273,2107921.11364404,1638995.79977581,807510.948088596,1030494.48321532,1125862.2411878,1307049.95805299,892066.129487016,2119258.80904649,1032596.75200634,-1.03728281862376,0.00427490934201474,0.0440591462830229,0.425782986842017]
["NEG02404","PA(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",527.215,795.494116802113,337470.89820035,285360.707442241,143588.0297846,230716.111319384,182574.177657498,47024.0499607214,84704.0974182286,96051.8418557352,90703.4092121633,65014.6292667186,235941.984880815,76699.6055427134,-1.62114109967284,0.00218800241377502,0.0295677788423434,0.166895798175929]
["NEG02532","PA(14:1(9Z)/14:0)",521.6225,589.387496151645,328728.197267279,229087.175308854,109487.054966751,178459.20536695,216296.353957598,49989.5795670821,59663.3055328963,71782.7928251208,75942.4175896808,36554.7859596706,212411.597373486,58786.5762948901,-1.8533038738939,0.00294740808985438,0.0355166642243857,0.162950313199498]
["NEG02557","PA(10:0/i-16:0)",519.759,563.371583939795,414213.897164899,415004.034481143,144730.025322907,439117.91847015,282309.324056814,38056.3137413516,67370.4532534484,110217.674158406,54482.293232219,76561.8429243603,339075.039899183,69337.7154619571,-2.28989237959977,0.00150364427559385,0.0241831091827781,0.218759974953924]
["NEG05060","Oxynarcotine",192.249,430.157408438979,2018338.63264662,2741869.518872,2115266.40422471,3606120.52742535,2296791.81212693,4154351.33854724,6091255.8257336,7323139.07408567,7260192.6271338,6604747.61262333,2555677.37905912,6286737.29562473,1.29860575202297,0.000424823117658872,0.0121034000336824,0.829742576256439]
["NEG04561","Oxidized Oplophorus luciferin",290.723,410.152429876937,28917.5718715029,58814.6475567568,17257.6157225806,44342.1922161251,65696.6028612852,0,10723.6407390597,5469.63637949744,8238.06945653946,7260.97441379042,43005.7260456501,6338.4641977774,-2.76232353730064,0.00402915247030798,0.0432096922797142,0.079255150491759]
["POS07147","Oseltamivir phosphate",204.585,411.191897097049,1054120.46012464,1654876.25045038,1300350.45356595,2460727.16159245,1140020.51930374,3806901.41795826,5984677.21147186,6668269.5783853,6483494.99667799,7003033.96220688,1522018.96900743,5989275.43334006,1.97639514080772,{"v":9.71489123866897e-05,"d":"9.71E-05"},0.00557111647571363,0.923914815380373]
["POS05968","Olprinone hydrochloride",29.01155,287.069026181559,154724.52504447,333012.64366798,313251.286604315,339982.704492736,191600.646137282,530220.632453241,502865.066050256,636193.295664124,687980.09209354,613203.076931559,266514.361189357,594092.432638544,1.15647413701873,0.000224055333060302,0.00879122372612921,0.250759290272423]
["NEG04762","Novclobiocin 104",247.266,588.176795006171,43001.1454275429,122032.222140829,95508.5211499111,127169.494077482,79347.9626719539,163231.93367964,270475.054428776,304582.400899688,187759.109789496,271759.672461053,93411.8690935438,239561.634251731,1.35871910097189,0.00156409285811455,0.0244621935466656,0.157394703099311]
["NEG05948","Nocardicin D",34.524,484.136350049939,1949694.5009262,2194361.82935254,2033564.03441069,3075410.24973456,2441933.65276754,673592.14448855,992399.249772865,1233908.56465172,1236965.84378442,1036115.48913279,2338992.85343831,1034596.25836607,-1.17681957455081,0.000432051099706527,0.0122314213227044,0.489574152806052]
["NEG05950","N-Nitrosofolic acid",34.5228,469.11696296277,2186437.41996566,2091788.0930275,1849613.78438759,2282871.34917136,2048623.60816915,693349.65316969,749698.2067945,1133771.00942672,979495.047991201,1018034.74885232,2091866.85094425,914869.733246886,-1.19315278554687,{"v":5.35942974827528e-06,"d":"5.36E-06"},0.00159818195093569,0.48405242695128]
["POS06691","Nifedipine",226.255,347.12243022878,16240.7391410331,38557.9158179162,0,41444.7166393828,20600.9837101876,175035.562422225,250703.308282504,285929.253966029,412268.769572845,250776.164650821,23368.8710617039,274942.611778885,3.55647057415965,0.000218289645885141,0.00879122372612921,0.219279923584478]
["POS07292","N-debutylhalofantrine",34.5716,444.106723872874,304698.826840684,443953.215649875,218693.737727001,427533.174540877,381331.749686464,82113.7800569401,114124.886616147,253148.371087123,49483.9264082329,71081.0391967545,355242.14088898,113990.40067304,-1.63989039503289,0.00242709103831648,0.0315592389953186,0.2079891242392]
["NEG04553","N-Acetyl-D-fucosamine",290.913,204.082830753197,76315878.5434317,93395380.0610626,89380638.5831793,117045483.314019,76463296.6235512,175123413.581848,243844243.495027,282431214.099718,298572662.404156,252029441.529867,90520135.4250488,250400195.022123,1.46792503780086,0.000103048092197401,0.00583460906834147,5.53590036854651]
["POS05984","N-Acetyl-ala-ala-ala-methylester",414.4025,288.154701121467,279946.316030196,411341.998403165,164604.810295432,289251.955910392,279354.908888159,82118.1981407331,26981.4713025177,160597.866481085,113429.493300059,143674.906939869,284899.997905469,105360.387232853,-1.43512305797651,0.00437378144725197,0.0449745388817427,0.173438787263649]
["NEG05994","N4-(Acetyl-beta-D-glucosaminyl)asparagine",34.25185,334.125355443576,2009617.17547596,4570590.09461197,4356359.71308952,5139469.53975852,2903577.63794375,5770336.24554628,10518026.3326098,10444007.4060612,11262700.0307033,9742387.93984474,3795922.83217594,9547491.59095307,1.33067108026426,0.00096033779081222,0.0193095668722847,1.01501382779111]
["NEG05756","N2-Monodes-methylnizatidine",37.17605,316.087928036201,88829.0960929761,152068.973049536,187151.88702619,73187.40502534,52439.7645626201,202101.474111863,542332.539860614,568020.640854378,660497.316940681,528586.844731109,110735.425151332,500307.763299729,2.17569901319071,0.00144671263880793,0.0238787661748629,0.261756618494849]
["POS03317","N(pi)-Methyl-L-histidine",29.255,170.091905406741,195574.440535962,235073.45326801,142622.162125442,121170.445035035,206318.395685311,861492.746037847,692244.861784604,658087.86347035,719783.134297956,619315.462435804,180151.779329952,710184.813605312,1.97898160939854,{"v":3.13065881062964e-06,"d":"3.13E-06"},0.00135801697260123,0.326348915632549]
["POS06041","N-(L-Arginino)succite",32.73115,291.128865852583,1766289.40708135,3099798.42064116,2734402.62538858,2249007.44011965,2857371.96892183,1246954.25633467,1451230.42359508,1598061.93095174,214861.214315537,1121722.87698153,2541373.97243051,1126566.14043571,-1.17367667248997,0.00314685609885869,0.0366559565890493,0.504125305131605]
["POS07933","N-(2R-Hydroxyhexacosanoyl)-2S-amino-1,3S,4R-octadecanetriol",34.9476,712.698266392747,454072.698261789,224334.288301022,200062.333901711,407765.755982958,294584.254951409,0,0,0,0,0,316163.866279778,1,-18.2703129688954,0.000223768017399852,0.00879122372612921,0.243043848830844]
["NEG05920","N-(1-Deoxy-1-fructosyl)tyrosine",34.7826,342.111952952783,7477169.58765191,8717521.41365911,6547179.52768243,8814065.2520215,8690971.51202518,2595906.78543099,3385224.86285379,3977005.94364671,3721085.13023749,3499561.71486407,8049381.45860803,3435756.88740661,-1.22824997033101,{"v":1.67480946683358e-05,"d":"1.67E-05"},0.00241658798230536,0.955840834880056]
["NEG03594","Mycophenolic acid O-acyl-glucuronide",416.232,495.139074195024,711435.520055623,489125.601142357,516457.600533995,493288.386320635,450275.008279346,83604.3111204913,181445.678441501,76163.4408313023,121161.169652867,135750.54013423,532116.423266391,119625.028036078,-2.15322266878536,{"v":3.42821418747811e-05,"d":"3.43E-05"},0.00348509137740672,0.283600585578162]
["NEG04214","Mupirocin",362.7735,499.286962372176,100363.331405577,112672.077894504,50363.8404059163,97207.1643222977,103166.626015067,10991.1766312121,30046.9465768718,51682.700875135,49144.7585288376,27916.000521576,92754.6080086724,33956.3166267265,-1.44973898332196,0.00216142222605129,0.0295261905098108,0.101815824500184]
["NEG05073","Moxonidine",192.245,240.061801734883,144531.27852974,212600.299611677,174944.404756067,264447.233747935,140396.679844734,477685.407223166,835882.088513129,857008.834065508,837770.299575749,715435.850583763,187383.979298031,744756.495992263,1.99077118947314,{"v":7.39651422803763e-05,"d":"7.40E-05"},0.00500510442050421,0.325626000112172]
["NEG05906","Mosapride citrate hydrate",35.0277,648.192516574859,3705131.0291766,5614351.30394193,3391430.73480474,3752608.81909871,4821408.77469467,856350.858555986,1293195.10390673,1559031.22036392,1054993.33381658,1360206.51024369,4256986.13234333,1224755.40537738,-1.79733873149604,0.000114285115879132,0.00594415492241113,0.768337208292802]
["NEG02608","Monoammonium glycyrrhizite",517.686,838.433587724989,162669.300885924,127387.060153734,79007.1866507275,103405.844505068,105597.599154089,28421.8329677053,45439.6872636389,24883.9154008288,28087.6846470836,39656.5878188783,115613.398269909,33297.941619627,-1.79580369735324,0.00048389009458355,0.0130528564356762,0.123618029202444]
["NEG04135","Militarinone C",374.824,422.231258457698,87057.3939708199,87232.0293874989,31006.1993574691,56953.0573713724,82647.46486668,3110.79517224391,9965.59812789839,18831.3886822673,7207.17606068854,12869.4699419384,68979.2289907681,10396.8855970073,-2.73001057171938,0.000859635083094463,0.0184764335775705,0.104025956070534]
["POS05942","Metominostrobin",226.603,285.122275312396,42973.5129653221,178293.077383547,75106.5433409904,154018.556038503,104194.41746125,195622.453964329,411210.753692448,470176.550688725,563839.376674502,341751.564821687,110917.221437923,396520.139968338,1.83791076353872,0.00271210976094291,0.0340765925862293,0.221259571672245]
["NEG04599","Methyl nigakinone",281.649,279.077225533608,104690.787543042,108557.898445811,86575.5634240556,109640.504071308,116666.437281769,189097.890978091,259766.978055014,332105.724801917,317350.567019048,295642.563163796,105226.238153197,278792.744803573,1.40569853217859,0.000156981716289476,0.00746999166981732,0.180651079602295]
["POS07145","Methyl aklanote",179.719,411.10554945281,241456.305004072,150069.82432776,219122.573789053,227191.258891111,180218.409235958,61338.6889232067,141296.161385343,96735.8486828899,116491.142307135,86623.3833070367,203611.674249591,100497.044921122,-1.01866720183239,0.00138886519943196,0.0231805747651462,0.135340825294798]
["NEG05918","Medermycin",34.7919,456.17164487667,431885.222731351,935431.067993167,602001.349676026,792015.777102244,585280.440553899,0,17827.2992326376,14623.3318776329,0,19975.5988537733,669322.771611337,10485.2459928088,-5.99626948451956,{"v":6.90945795462406e-05,"d":"6.91E-05"},0.00498483958565055,0.356150409603136]
["POS05662","Mecarphon",290.887,272.023178210286,1243763.29849675,1144737.64429086,858400.668724623,893154.400174672,1313699.2340927,489906.327456703,493864.387960959,573722.988324879,457597.220179761,555054.18789137,1090751.04915592,514029.022362734,-1.08540013920297,0.000287896840553601,0.00981575050944214,0.331992245508627]
["POS06119","Mebendazole",223.838,296.099981527827,40599.3760341065,231091.106639424,144433.464036598,249761.438472227,208119.000206331,327157.728938826,956373.371662594,540193.498257725,532251.038398682,754818.624443194,174800.877077737,622158.852340204,1.83157055894776,0.00439405832789149,0.0450794103226115,0.268877062085701]
["NEG05966","Malonyldaidzin",34.50835,501.105215775201,1248493.63848358,1622009.22271035,1436592.42536376,2064300.64049696,1842556.52681565,348032.195222695,733378.484147912,888207.790447263,896504.696334985,530932.67387252,1642790.49077406,679411.168005075,-1.2737916632571,0.00066228317150437,0.0154291282611409,0.420138902519882]
["NEG05936","Mallotophenone",34.7253,403.134505611022,14882404.3448482,17647753.9030341,13186134.7358102,18675471.2007007,17904014.3575919,3544016.1601927,4995337.86673072,5698285.10969453,5359459.25977638,4718221.6877728,16459155.708397,4863064.01683343,-1.75895284464035,{"v":5.83587290292103e-06,"d":"5.84E-06"},0.001624388585636,1.52186064149387]
["NEG04126","LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))",376.682,526.304700360625,5857.54126849307,9203.68835663614,4657.83995609142,3453.33997492402,8273.18351370722,0,969.431785786382,1344.58739686875,0,0,6289.11861397037,462.803836531026,-3.76438511614958,0.000810913958026393,0.0179565254170894,0.0330299790249308]
["NEG06019","Luteolin 7-O-(2-apiosyl-4-glucosyl-6-malonyl)-glucoside",33.9117,827.207454446641,45050.1823335433,68711.5421159719,14171.0914456382,53348.1826376607,86375.0698522222,0,0,0,0,0,53531.2136770073,1,-15.7080927418222,0.00221922908171496,0.029631676664212,0.0971366917335906]
["NEG03596","Lucuminic acid",416.113,445.133162336318,1461691.15833733,913592.067621736,896410.827737846,1001811.43664022,607377.822567986,1494979.47501768,2173042.92257068,2659686.15131444,2580106.03062147,2371708.32575864,976176.662581024,2255904.58105658,1.20849187994911,0.000908643949826423,0.0188809386232614,0.479286641796416]
["NEG05879","L-Proline",35.32915,114.05449695712,2239468.54831893,3972945.49041943,2759953.49059728,2553154.50827324,2871294.18829595,993421.206481137,1164332.42895103,1301923.49500313,1147832.76581686,1192833.03773584,2879363.24518097,1160068.5867976,-1.31153969871878,0.000418909375366151,0.0120889137807277,0.567682459867545]
["NEG05704","L-Pipecolate",37.7335,128.070198564192,78075.2954450693,89080.3872179664,75672.1834448139,85182.2048830359,86019.0913249252,21267.8262742644,31543.1703090085,23060.6091364114,44128.9686282697,76077.0175753679,82805.8324631621,39215.5183846644,-1.0783077167903,0.00299316621971739,0.0357979478630906,0.0852666533633483]
["NEG04634","Leonuriside A",274.441,331.108667459608,35187.2504957244,54966.4005646663,38391.8179321843,98493.1725343668,51475.1092469664,0,4854.01348571195,15533.4100809931,5570.16329589039,2749.6218044522,55702.7501547816,5741.44173340953,-3.27826359537472,0.00264009552823673,0.0333591731576353,0.0923802172223418]
["POS03067","L-Carnitine",32.4797,162.111894997288,5321838.93466187,8636714.20668822,6175236.83723733,6916587.02963342,7701022.22860136,2772708.78300802,2418261.61819577,2299430.06469394,2341752.14573794,1972541.60916251,6950279.84736444,2360938.84415964,-1.55771039629678,{"v":5.41663965692107e-05,"d":"5.42E-05"},0.00440520530643781,0.945085332288199]
["NEG05075","Lactodifucotetraose",192.2375,633.231572163854,107209.116569576,102523.522899725,183686.410705772,262372.025057254,125816.175142875,244501.810608169,508930.099365189,613670.195954384,682514.474217382,409817.307899411,156321.45007504,491886.777608907,1.65381051928387,0.00370889161464601,0.0410640400799792,0.238014136587086]
["NEG04142","Kinetensin 4-7",373.573,570.276375562343,373235.192465939,399405.317582037,191564.719163862,400627.919229729,454033.041437814,164320.869458575,137790.358615159,210400.754587949,145111.351715838,161707.602054361,363773.237975876,163866.187286376,-1.15052121640337,0.00270373237079816,0.0340670278720569,0.186932293525649]
["POS07349","Kimycin D",34.6027,455.114418518855,235868.911771011,464445.362383613,279726.300254462,457176.220284731,522193.001072847,0,53461.8067981603,94501.1273432208,62888.5930799442,110108.743269241,391881.959153333,64192.0540981133,-2.60995252592559,0.000565853258341703,0.0138238110562618,0.246327089481493]
["POS06319","Ketotifen",309.839,310.132580171194,88882.8708844712,135360.679759734,92990.5637515406,137302.817578645,146841.113861123,468998.773822988,696179.552977569,721987.245656077,858442.133053439,826704.901256156,120275.609167103,714462.521353246,2.57051422733515,{"v":2.73159197524444e-05,"d":"2.73E-05"},0.00306416606439352,0.341570956039637]
["NEG04842","Isovalerylglutamic acid",222.4175,230.100913973601,427426.95914927,524453.969956466,533060.750129585,872666.145515535,261903.693795063,734588.437465863,1240551.17972727,1126766.37744673,1265376.54337594,1201260.87044723,523902.303709184,1113708.68169261,1.08800219815417,0.00290828822055499,0.0354462485300885,0.319494533173476]
["NEG05115","Isoleucyl-Valine",189.564,229.155123470358,28647.7016073168,42373.3499594956,29227.4661560734,42757.5475351434,32700.4606444895,13130.3948214872,17718.6718783825,22571.8388609285,9978.72258905734,7936.6119776469,35141.3051805037,14267.2480255005,-1.30046069162823,0.000921152211784865,0.0188809386232614,0.0621719686202433]
["POS07585","Isobrucein A",35.6711,523.204769384514,406882.298339287,361787.029175635,318325.591549739,601902.687461934,525639.844586033,210627.63969079,131598.936350659,171661.475961173,273253.796400657,117751.919329803,442907.490222526,180978.753546616,-1.29118505708524,0.00234072842495559,0.0308851865629096,0.210033969818256]
["POS00418","Iminoglycine",204.853,74.0237469264474,1973282.11337125,2674223.17727372,2370901.04424208,3196132.43905728,4093788.16981396,4498544.01677412,6996794.50368418,7935103.67062956,7782182.80331556,4475106.22123025,2861665.38875166,6337546.24312673,1.147069379805,0.00360591530574748,0.0403231479065212,0.7563069171569]
["NEG05107","Imazaquin",190.645,310.115465909544,66052.0087613042,99146.9368849315,76588.5950097733,122286.285572511,114764.756979248,27479.2468312498,21899.9904821634,24469.0418022873,26119.1451482902,16130.2319228942,95767.7166415536,23219.531237377,-2.04420055754291,0.000166979711830396,0.00786210790544592,0.117059055865336]
["POS05504","Imazapyr",218.736,262.117631737534,106419.236663254,204693.706309823,110729.321217883,119663.874245038,252662.417347486,44747.4978899205,55450.015059932,31853.5866694087,33583.5969270136,44455.4847070423,158833.711156697,42018.0362506634,-1.91843650211165,0.00449429779348944,0.0457926971076954,0.141512454537222]
["NEG04509","Ichangin",301.098,487.194729944603,35906.1684400598,34057.8666888662,9899.35366147644,30391.5098192189,37045.9562090346,7073.06150998185,2652.85815117407,5122.87401899608,4437.05716392262,1158.1112668659,29460.1709637312,4088.7924221881,-2.8490190748683,0.00111461075577311,0.0208177228188703,0.0676239464920773]
["NEG03997","Hydroxytyrosol 1-O-glucoside",397.012,315.113809139119,41774.0508497631,45070.4061077301,38446.2076041992,75584.1795796088,52974.8343722072,4436.23234433342,3514.05058081283,13177.6495999036,4216.03356282831,13863.2326346225,50769.9357027017,7841.43974450013,-2.69478396005926,0.00029300036070912,0.00981575050944214,0.0893099236985489]
["NEG02137","Gypenoside LXXV",531.645,783.495012286272,1607936.68149994,1338953.76602382,932892.021043126,1135897.78424683,882526.072608029,403083.340531407,492475.251630437,662132.119845666,669927.050818402,588102.540200224,1179641.26508435,563144.060605227,-1.06677225794873,0.00263843833988289,0.0333591731576353,0.325192444242592]
["POS07572","Gravacridonetriol glucoside",35.92285,520.185769577753,178642.308955607,181493.942367781,69338.7883051974,174335.094312313,196826.459887556,13874.3682730831,26293.0698802995,47488.9766201102,45103.6428811263,62943.3105201434,160127.318765691,39140.6736349525,-2.0324789710868,0.00115558937395809,0.0211672349877683,0.147480163434394]
["NEG06101","Glycylproline",32.1934,171.076294484359,1349003.83234188,2444712.00522893,1379274.2423914,1821178.00102497,2279992.73004769,913686.65134172,978443.930509951,754397.962772372,580523.734112436,686354.871859825,1854832.16220697,782681.430119261,-1.24479152687327,0.00191399762787846,0.0272578558005368,0.438098047115103]
["NEG05979","Glycoperine",34.37965,390.122015074284,195667.302004675,151360.72693019,95960.2536651946,165711.890907605,34739.8251057837,22227.492200808,26343.4137625327,0,0,19521.2932103925,128687.99972269,13618.4398347466,-3.2402441882696,0.00419277445501527,0.0435582615521295,0.137828884566077]
["NEG05912","Glucolepidiin",34.8203,346.029058372727,65154.7193589367,255700.055067949,359961.014502304,275168.851674274,278149.356729719,375720.5478044,810196.71053981,948657.317498661,698438.040695231,753897.730833058,246826.799466637,717382.069474232,1.53924264141767,0.00227070122716194,0.0301390106501346,0.280235271621591]
["NEG05357","Glucocleomin",163.0925,404.063458492554,67613.6854026014,52108.1626528608,76897.182513906,87091.8110184992,48514.0673878908,12927.9996766158,18090.6570354585,30833.2286962703,3897.72366672804,51551.5068349716,66444.9817951516,23460.2231820088,-1.50194350711925,0.00454634477113181,0.0460085976499379,0.0845643493406062]
["NEG01573","Fusicoccin H",572.421,481.283654712991,3637189.24636448,3508767.13161441,3427573.83626646,3469239.74342072,3375397.12917739,611050.71033144,3340242.66912088,527324.151948265,1202870.70417718,668942.6563994,3483633.41736869,1270086.17839543,-1.45566642653202,0.00318771199696722,0.0370347860913951,0.622435923446891]
["POS05557","Furofoline I",281.4925,266.079957725068,7082.50582639187,66461.4839789434,33556.7103115148,53114.0722590767,42651.1442549839,240493.057182125,343773.69455597,343349.978542467,209942.598668703,255462.790536595,40573.1833261821,278604.423897172,2.77961976202955,{"v":3.88766004338903e-05,"d":"3.89E-05"},0.00366671883557013,0.211512481749717]
["NEG05926","Fructoselysine 6-phosphate",34.7603,387.114285907712,61330938.165003,59269055.3839797,47836508.5500199,56371639.2154207,57530134.5265674,16729746.7177175,14155814.723538,20465508.6584352,16272680.3101093,19314546.548546,56467655.1681981,17387659.3916692,-1.69936098440387,{"v":3.50125583431403e-07,"d":"3.50E-07"},0.000473970422325046,2.81784113006494]
["NEG05026","Fluvastatin",192.3475,410.180761456629,36673.4083992016,30767.6794376292,39773.4000174277,135761.676034042,36273.100254854,250095.060447508,518835.599847196,794916.605854976,828564.605530023,713009.443637009,55849.8528286309,621084.263063342,3.4751636293209,0.000839290875012254,0.0183129174825845,0.320062045808476]
["NEG05042","Flindersiachromone",192.257,249.087701446338,693747.148328852,717488.500649805,727026.219197937,772839.36389802,566152.008075893,1641385.82095532,1517332.52733638,1820324.06949357,1802905.28004538,2051120.83686864,695450.648030101,1766613.70693986,1.34496656626235,{"v":3.9468411902115e-06,"d":"3.95E-06"},0.00135801697260123,0.465041382505131]
["NEG05939","Flavonol 3-O-D-galactoside",34.69,399.113977061176,550332.106194809,1104084.38727672,686395.049032632,1006228.43922863,1173762.60251588,169154.925352268,252220.93680519,196074.127696736,266440.872663582,157452.052056514,904160.516849734,208268.582914858,-2.11813369215458,0.000491180432251214,0.0130528564356762,0.359159631360554]
["NEG01913","Flavanone 7-O-beta-D-glucoside",543.522,401.130475222821,432914046.164003,509309997.973912,389938342.50835,544017404.07324,524311462.733967,111004021.352819,149964298.961305,179120850.415332,166975911.774132,158842139.156972,480098250.690694,153181444.332112,-1.64808813266598,{"v":6.53677499249899e-06,"d":"6.54E-06"},0.001624388585636,8.07434164445189]
["NEG04506","Fenofibrate",301.523,359.103578122863,143152.637537603,190285.817463154,104267.044347528,245469.394528217,160534.518246469,36551.6382877463,49330.9828242585,79665.2894671545,62557.9535978264,56881.9334455229,168741.882424594,56997.5595245017,-1.56584604731412,0.00196337177724787,0.0277916517709802,0.13939547575843]
["NEG05887","Epoxicozole",35.2401,328.058123204853,2034764.12721024,3094977.38687501,3022289.85466071,3112333.55536456,3045072.50032982,3494767.08426067,6311167.4299734,6715150.26446748,5685766.47704,6648174.43320006,2861887.48488807,5771005.13778832,1.01185566178548,0.00175716047749744,0.0259398640786999,0.70383842564342]
["NEG05917","Ecozole nitrate",34.79315,442.009011212456,51925.4624429204,65741.7226608647,28093.0871429497,55238.1877877576,83297.9002831755,150647.75975393,679109.324745823,706379.235317375,589829.118587907,521310.915974824,56859.2720635336,529455.270875972,3.21904127421094,0.00154892314878779,0.0244402939910873,0.283643570869728]
["POS06202","E3040",176.99,300.118760590698,788439.295710385,1188723.42952677,891998.044436477,1043634.73982587,1419447.50410814,315552.532196961,310581.06852605,399735.096878194,306464.751380419,277467.123715636,1066448.60272153,321960.114539452,-1.72786055815983,0.000173445174077149,0.00791653330252131,0.378300782217796]
["POS07751","dTDP-4-acetamido-4,6-dideoxy-D-glucose",35.05335,590.127581721623,779421.204898559,478967.816430766,609823.850002476,656681.134322971,323273.830300403,0,122528.882161103,22745.596004583,39743.8398379287,26934.2963928991,569633.567191035,42390.5228793028,-3.74822049650399,0.000185070597060471,0.007959815198572,0.314597940980737]
["NEG04242","Drotaverine",360.945,396.215317462481,182868.896259753,228305.541201583,113484.552107504,185741.91906979,199350.802612938,57109.2223829435,68327.2993869059,92476.2368344802,94983.5966394635,79899.6122632816,181950.342250314,78559.1935014149,-1.21169274095305,0.000917323906066923,0.0188809386232614,0.137023801135486]
["NEG04776","D-Phe-Pro-Arg-CH2Cl",245.362,449.203947049746,65751.4201386238,86609.3580552082,51946.3845922941,77381.1206256317,120611.266648647,43018.0184765591,33229.4766879187,16013.2287822909,21663.5722165781,24793.7648823294,80459.910012081,27743.6122091352,-1.53611448611834,0.00295480727464419,0.0355166642243857,0.0955137178932746]
["NEG06530","D-myo-Inositol 1,2-cyclic phosphate",27.8073,241.011368138742,141805.575623511,133124.10526328,88455.8759544731,124913.487708417,101079.259772524,39589.5180152642,47973.504891039,75831.3223767405,45176.3577847218,53710.0775406793,117875.660864441,52456.156121689,-1.16808186043736,0.000547418369994754,0.0136269896209549,0.110453278554303]
["POS07420","Diterpenoid EF-D",412.526,475.261028317763,171199.009047229,147248.665486217,90729.4342316215,144051.070986813,101716.153245591,30859.1187971579,33136.3501895414,59615.6394326537,52102.4806371625,78771.550105837,130988.866599494,50897.0278324705,-1.3637908784012,0.00178866562835351,0.0262559252889668,0.118001936736942]
["NEG03890","Diprenorphine",405.7555,424.246917590139,122981.301199311,88065.0272607,95575.374800792,72156.8569922297,183036.725025518,28037.0273585187,41202.2236583672,41903.2800869011,25804.3299788713,21930.1302509622,112363.05705571,31775.3982667241,-1.82218566852,0.00370453397463088,0.0410640400799792,0.118809112090816]
["NEG05905","Diphyllin",35.0277,379.082142092419,8517507.72275007,8720396.77148267,8028376.6433563,8777113.21061679,8708942.14890749,3816319.17545795,3650975.99414595,4244568.658359,3903036.95663913,3962648.63732499,8550467.29942266,3915509.8843854,-1.12680307823937,{"v":3.3281887788809e-09,"d":"3.33E-09"},{"v":1.48869884079343e-05,"d":"1.49E-05"},0.975377520331782]
["NEG04517","Dimethylenetriurea",298.078,203.089746229323,221268.239101344,277716.194891048,142483.949729946,203805.469698642,302736.847178405,80519.8793284246,74809.6273677185,84515.7208481836,53976.7869839728,61328.6633958126,229602.140119877,71030.1355848224,-1.69263294512294,0.000577608185807244,0.0139656292708962,0.172404748449303]
["NEG03822","Difenpiramide",409.3555,287.11873869848,251135.704046167,407764.361592416,272869.13140904,638962.711126903,404972.157119838,19549.8213003754,89331.8932324036,140156.232481659,86483.5606832609,72696.9855119385,395140.813058873,81643.6986419275,-2.27495341992913,0.00237416935174768,0.0310516359952263,0.232678632236984]
["NEG05199","Difenocozole",175.528,404.056742420296,18109733.4793166,16901471.2883353,9600668.69615835,9692988.77237216,14793220.0114579,3955932.00969303,127339.23002719,208719.713162855,2408138.4743403,71942.3200349387,13819616.4495281,1354414.34945166,-3.35097650734792,0.000210554736215465,0.00864047096414472,1.53135065559852]
["NEG05976","Dicrotophos",34.40535,236.064721002983,52711.1915501555,217097.603394819,114815.026451274,159390.478036965,123634.087807455,280392.018483514,457001.324569794,513130.878192924,402750.876034235,366583.419816852,133529.677448134,403971.703419464,1.59709381989553,0.000488636110487116,0.0130528564356762,0.219647901220601]
["NEG06565","D-Glucono-1,5-lactone 6-phosphate",27.2704,257.006308270952,104542.438424897,150095.49006963,67520.9732970441,191610.079544028,197643.079547364,22596.0219491185,49554.6935809466,9904.94803333202,36700.7678402538,22391.2877832446,142282.412176593,28229.5438373791,-2.33347961685937,0.00231826052509734,0.0306792287833148,0.140662010644878]
["NEG05792","Demethylalangiside",36.8859,490.161027154059,398678.541887086,505783.723277977,270158.442881633,275936.555348473,519493.170932284,82660.1830591905,192795.458328317,206697.2411979,165366.864421711,151623.147398522,394010.086865491,159828.578881128,-1.30170716487927,0.00368562611346125,0.0410094666803786,0.203068373544635]
["NEG05039","Deethylatrazine",192.257,186.054822442715,500121.443971426,675370.249947424,623183.983776069,800232.402422968,504168.637238497,1254389.55971944,1657855.16237734,2091640.35762084,2314454.77053474,1683609.73183922,620615.343471277,1800389.91641832,1.53653811948077,0.000284801636608555,0.00981575050944214,0.471216259790292]
["NEG05648","Cycasin",42.8745,251.087988680803,5740.11172447498,5289.91276057708,6923.14976885031,6929.81111040577,6161.96170097917,3087.06855894658,1974.91440445689,1497.68296680761,950.911406405739,2848.25140069772,6208.98941305746,2071.76574746291,-1.58349758363911,{"v":4.29803851270757e-05,"d":"4.30E-05"},0.0037696326014394,0.0282394164082898]
["NEG04158","Convolvine",371.132,290.137944633696,31944.4949573433,48912.4539571038,38166.521175344,78563.1323296939,56002.6961563804,1401.09057031748,2931.64502007759,5539.55680356934,3566.34316310489,4201.06227670464,50717.8597151731,3527.93956675479,-3.84559611228226,0.000407139870571041,0.0118255626043134,0.0931443190626253]
["NEG02151","Clidinium",531.2195,351.186013675538,3403300.96706964,2854434.94855171,2995825.62639177,2647770.96348475,74550.7609959106,71613.4641933605,143754.429608145,106836.392243375,139725.931393483,76109.2588630105,2395176.65329876,107607.895260275,-4.47627622572738,0.0048416004118668,0.048187234642192,0.610806709579861]
["NEG03298","Citbismine C",450.6965,683.221296816105,8653256.52519515,9793484.7214354,6372234.09821331,9717122.30296872,10368180.3851633,686771.948091096,919301.639191283,1335224.95793121,1021030.66122456,873781.412250257,8980855.60659518,967222.123737681,-3.21493374761206,{"v":3.65868783199686e-06,"d":"3.66E-06"},0.00135801697260123,1.2684968555003]
["NEG05904","cis-Ferulic acid [arabinosyl-(1-&gt;3)-[glucosyl-(1-&gt;6)]-glucosyl] ester",35.02955,649.195716745217,957624.635908461,1521802.95410358,922208.761169499,861413.51486513,1349105.16498692,193380.51352865,271441.008717727,332456.955108919,231299.778777878,225835.987530961,1122431.00620672,250882.848732827,-2.16154101651805,0.000184687359031361,0.007959815198572,0.410109609876894]
["NEG05699","cis-3,4-Leucopelargonidin",37.7945,289.067275959436,17613.6030834146,45341.6799292179,68297.3265014935,74169.2119678086,52587.8377231537,76366.9934008846,256739.506025095,278556.490825201,293033.874685987,259307.996542136,51601.9318410177,232800.972295861,2.17360010119923,0.00219537612012492,0.0295780644136107,0.176329192100301]
["POS02385","cis-1,2-Dihydro-3-ethylcatechol",377.759,141.090494086941,32284179.6926624,6894057.41953836,15149486.7412272,15191850.2643661,14944720.5427105,51810837.0821268,79297708.1386756,25891695.2494987,64831542.5882473,51261265.7910388,16892858.9321009,54618609.7699174,1.69297908385588,0.00476719067521334,0.0475974193978332,2.52532786710272]
["NEG04275","Chlorpromazine",354.9215,317.092798462578,148834.414047597,187446.309346011,146534.069166154,276789.420822253,218411.25027242,45346.6641404152,73626.8861821061,92767.3135451819,76574.9719633493,61410.640530723,195603.092730887,69945.2952723551,-1.48363025546709,0.00115939471763989,0.0211672349877683,0.149949200121335]
["POS04705","Chloridazon",36.0467,222.042323548596,0,0,13267.084596821,0,15204.5673526292,80431.3877144058,109888.412113901,157208.611161536,215453.880609623,137810.96873578,5694.33038989004,140158.652067049,4.62139079331369,0.000398321300672688,0.0117486285888601,0.159000605764211]
["NEG06208","Cephalosporin C",31.5748,414.093432902094,1366846.90892682,1414837.27794691,892090.651261482,1243079.33949961,1806496.05795099,611414.222712121,577418.116813622,618198.517249744,614627.996819783,820103.35675363,1344670.04711716,648352.44206978,-1.05240203479318,0.00191511855290233,0.0272578558005368,0.351083168860958]
["POS07394","Cephaeline",377.4925,467.294711073694,359410.898533585,278764.013013887,144345.535521382,255515.724699447,293435.029823396,24730.287409677,41817.6750811004,57458.0999778782,20200.409462895,18955.3722582794,266294.240318339,32632.368837966,-3.02864560083782,0.000183409441431049,0.007959815198572,0.211670744967954]
["POS07356","Cefotaxime",35.2895,456.054571704161,3082247.94634692,1784741.92134872,2236960.96441776,2061053.34299882,2321194.92482729,675096.209907621,1419160.86214088,745368.912091361,834151.994678476,599388.97629228,2297239.8199879,854633.391022124,-1.426523884334,0.0005621505174548,0.0138238110562618,0.518488838142349]
["NEG06725","Castamollissin",24.5643,467.0815125834,11997.4789097135,25241.7801990624,25367.7194257408,16691.1746446455,19884.6064939662,29850.3445276044,56575.8890596755,76756.4364591737,62947.9755045171,42280.8525880258,19836.5519346257,53682.2996277993,1.43628520189674,0.00413558416196749,0.0435582615521295,0.073978379680574]
["NEG05921","Calaxin",34.7826,343.113345236476,1288456.5078452,1522276.9499176,1237822.25828227,1519377.46049804,1697688.17181071,412002.778432593,491705.641641948,597643.152635985,601512.561993314,537800.893905472,1453124.26967076,528133.005721862,-1.46018487531894,{"v":7.8496305528069e-06,"d":"7.85E-06"},0.00172297086670396,0.429485000520889]
["NEG04493","Caffeic acid 3-glucoside",306.68,341.092874220865,63572.3635815121,76698.0630410921,61275.5605816821,90042.162449069,82069.14401777,4672.49355918671,25576.9343822125,34577.68424417,26412.977434663,25215.5955744662,74731.4587342251,23291.1370389397,-1.68193461201063,0.000116465078645167,0.00598791145723943,0.0996611388905945]
["NEG05978","C-1027 Chromophore",34.3797,842.226608848014,224474.680177813,355785.941404774,277483.056490296,514985.813080029,374175.943853167,13295.7214974516,32250.5003466564,83850.0360850688,14925.7208447077,99245.5051161065,349381.087001216,48713.4967779982,-2.84240806084752,0.000445270909538502,0.012438085114502,0.235504303263098]
["POS05928","Breviamide F",29.4972,284.136083670196,90784.5774274546,127736.459803086,77975.930548404,102975.913231067,179053.950831315,0,37943.3906148502,35550.0203676047,40834.3302520372,41158.3841202218,115705.366368265,31097.2250709428,-1.89559802381534,0.00247180916546858,0.0320475431801187,0.122294442974338]
["NEG05883","Braxoron",35.2951,405.107636644132,10798681.2639099,9995409.72051124,8400488.8053795,8073652.14694752,9943034.58073911,3901242.91836881,2469831.04131418,2567566.06261976,2246127.18698354,2676033.6603585,9442253.30349745,2772160.17392896,-1.76812056802584,{"v":3.53542069373696e-06,"d":"3.54E-06"},0.00135801697260123,1.15677222207568]
["POS07934","Bougainvillein-r-I",34.9266,713.198045380618,396880.818117983,293004.308949893,240334.020896954,281988.775021938,279578.436733047,0,69028.2944984993,26468.6742909662,0,0,298357.271943963,19099.3937578931,-3.96544218963094,{"v":1.26532306045529e-05,"d":"1.27E-05"},0.00202135358907733,0.236275534682856]
["POS07477","BMS-268770",34.7196,491.178684529229,2680447.13457089,3444601.73685075,2392384.91571958,2316797.9940421,3582658.73891988,718204.676843798,1243343.08110717,1033594.00153194,747695.284364194,842360.236542506,2883378.10402064,917039.456077922,-1.65270432022711,0.000118453281901327,0.0060209264766436,0.62111197790917]
["POS07727","Biotinyl-5'-AMP",34.9476,574.152963576662,463501.945709175,141192.216614097,377581.334651293,312619.823008123,346476.982570725,0,78830.1176951379,0,47327.9966748265,25330.5878280715,328274.460510683,30297.7404396072,-3.43762040498791,0.000642646940397568,0.0152093109227424,0.233057481220717]
["NEG04549","beta-Cymaropyranose",291.345,161.078844079542,547790.404463483,655290.861201882,385476.285101653,557820.879101652,738918.990261801,145104.753865579,272873.308399112,298616.375436807,260536.517572555,237159.791499626,577059.484026094,242858.149354736,-1.24860614308887,0.000872255525052973,0.0184909903486348,0.248874663720156]
["POS03281","beta-Carboline",234.7465,169.075445605007,651668.04072955,825083.799277247,620597.182425738,814632.965394386,606647.422579859,1193995.38217377,1496374.63000032,1902127.81622468,2030042.82567291,1643260.30854098,703725.882081356,1653160.19252253,1.23214105022116,0.000291691427070388,0.00981575050944214,0.422245530648055]
["NEG05032","Benzyl 2-methyl-3-oxobutanoate",192.2735,205.088064687273,2830439.23470437,3594618.81805167,3461108.38310518,4426867.54610272,2931613.46912715,6598660.87721284,9059206.46757165,10874146.5930304,12050247.2024133,9839651.11403998,3448929.49021822,9684382.45085363,1.48951141996428,0.000194197369614642,0.00819476258760654,1.0884776929456]
["NEG06568","Bentazone-sodium",27.26795,261.026297391517,664896.583847436,950563.165530184,585450.23659796,613551.708726281,980730.778288623,361091.616535017,383931.809790991,331823.184151854,330772.088797332,372491.797523303,759038.494598097,356022.099359699,-1.09220625732053,0.00158109147147022,0.0245516823054952,0.269656284190045]
["NEG05049","Benfuracarb",192.257,409.17874997973,787574.453041057,1111764.24161951,1043273.594278,1640464.82137501,705525.685155979,3809340.29433806,6055563.50360162,8163608.45353249,9084942.39420683,6976141.5354028,1057720.55909391,6817919.23621636,2.68837297983237,0.000253612369615919,0.00939370569686865,1.04180779378668]
["POS07302","Benexate hydrochloride",34.54965,446.185416096032,369311.143094413,441098.052606658,275719.676683408,370436.061594592,625223.642170008,106249.43661756,112544.573451797,92065.8959503659,74028.6648371682,68126.6766015394,416357.715229816,90603.0494916861,-2.20019204374729,0.000565483491125598,0.0138238110562618,0.246818745366098]
["NEG05957","Barbaloin",34.51585,417.12440694605,230233.522426065,523067.651503051,427373.593889715,632499.24082984,439065.558061194,26423.3262403934,28161.0621592697,49372.6039366738,70540.0661671928,89487.981369805,450447.913341973,52797.0079746669,-3.09283221351249,0.000357747233512285,0.0108857372483024,0.270205427681846]
["NEG04296","Austalide L",345.1575,427.209863019682,47075.1159488167,56121.1242466588,18765.3835078535,49636.3712898533,50264.0898458534,9125.55397708843,11448.6693326483,22567.4087275735,23348.3168641413,10868.7128716313,44372.4169678071,15471.7323546166,-1.52002839599821,0.00405026199258292,0.0432096922797142,0.0698976241997132]
["NEG05773","Atrazine",37.0152,214.08250977118,31576.0534852565,10696.0942478726,17127.4704080324,23835.3457356158,9159.43553512866,57830.9513844933,125280.873248558,147115.805944766,126446.182085617,143420.720771083,18478.8798823812,120018.906686903,2.69931247882002,0.00029405557081718,0.00981575050944214,0.136710734630048]
["NEG05090","Aripiprazole",191.8995,446.131374038376,69873.9664237693,60823.7139312478,87445.6584189433,104677.063523959,72988.5300368479,183110.544847584,268033.418415513,302425.66186468,378574.231014741,290164.765119817,79161.7864669535,284461.724252467,1.84535846817624,0.000221659201888229,0.00879122372612921,0.197757791338475]
["POS07461","Aquayamycin",35.0221,487.164372273974,2481231.44451295,2850887.5832101,2432836.88473894,3697101.06975433,2611173.6717475,408567.58812662,1131930.62962459,800812.921356925,1096118.47242918,698308.738954631,2814646.13079276,827147.670098389,-1.76673673114301,{"v":7.49702651852855e-05,"d":"7.50E-05"},0.00500510442050421,0.616823394748829]
["NEG05218","Apoatropine",172.8995,270.145707653791,47234.2794530695,70255.8366822446,74011.8313588775,69735.6118192989,131973.307425691,10454.0342589642,15490.6585233234,24801.2266230498,25336.4403413569,17812.8060214594,78642.1733478363,18779.0331536307,-2.06618040526959,0.00321019208280824,0.0370412430428373,0.101827083442334]
["NEG04584","Antirrhinoside",284.917,361.119266153358,392197.308224622,439565.78930414,381615.502600116,635638.106438635,432020.767331633,105771.62351483,155822.046835656,216790.979115136,160833.339469712,158278.707751988,456207.494779829,159499.339337464,-1.51613969986869,0.000323296200860364,0.0104036252262476,0.234855425136763]
["NEG03384","Anilofos",439.695,366.013413435758,35457.8631555881,223259.859342461,335973.825449608,229946.969822669,67248.2427818546,361085.650576376,632440.814151894,610206.265018827,730819.512881033,598164.484125783,178377.352110436,586543.345350783,1.71730527343998,0.00114017712930187,0.021074430989121,0.270964858594631]
["POS05694","Amidithion",290.725,274.038836015461,189344.491826479,117248.925677127,134196.729863649,143846.114734173,163437.443533123,16373.8594848549,69704.8529155982,21365.7094807365,86972.2217772125,42406.3333952451,149614.74112691,47364.5954107294,-1.65937136086496,0.000548369803660158,0.0136269896209549,0.136336044183958]
["NEG06570","Alteichin",27.1223,349.070654278033,132168.574050647,229469.323646793,152008.467702018,224623.464095992,208288.77730697,32527.410691431,77916.3469792635,84301.8902827544,75101.8786222388,67934.1088046147,189311.721360484,67556.3270760605,-1.48660094074513,0.000526998068071508,0.0134753935343541,0.150394376646508]
["NEG05958","Alphazurine FG",34.51585,781.201726530827,1105198.18001628,1207669.77645727,793228.538515284,1375125.87304879,1208838.76681279,85534.5155278702,143664.341989835,239780.871595786,172692.978947279,62266.3435235412,1138012.22697008,140787.810316862,-3.0149217251093,{"v":9.69114070687533e-06,"d":"9.69E-06"},0.00173393889527413,0.445010372823198]
["NEG05969","Albanol A",34.5028,561.151272860021,178549.473187444,159644.842114646,58332.9135128809,191505.481915201,191748.888389585,0,0,0,0,0,155956.319823951,1,-17.2507824907201,0.000255604698042038,0.00939370569686865,0.171216064485361]
["POS06468","Akuammicine",191.303,323.170285208118,244078.038273353,314450.217738088,157701.58000556,326290.556377045,312758.863656133,91448.0345605857,92521.0703227134,112658.159098124,151864.629329842,167165.755725412,271055.851210036,123131.529807335,-1.13838991594796,0.00308601505232907,0.0364322240022739,0.157778417543521]
["POS07652","Acrithrin",34.9673,542.140484006797,578467.280539552,301601.774001264,228573.659873002,475760.736212338,286883.230842226,0,98636.9158851074,0,75569.3834006237,0,374257.336293676,34841.2598571462,-3.42516189893089,0.00117648214555223,0.0212425811106131,0.245099109902977]
["NEG06429","Acetamiprid",29.48965,221.05946562093,550037.106667008,643697.31256011,532468.303593998,516880.746127901,612081.101796634,1220587.77193027,1694161.37378227,1736920.92699036,1289589.71173121,1619419.75374014,571032.91414913,1512135.90763485,1.4049420022559,{"v":2.66584386568696e-05,"d":"2.67E-05"},0.00306416606439352,0.422327190778304]
["NEG04585","9-Aminocamptothecin",284.8765,362.122756400379,66217.5777449376,91610.1369287387,72229.2016875392,126046.657500976,93032.2634171216,19170.7854964836,24851.7985310043,33992.7656109397,35163.8453806797,29651.9811833432,89827.1674558626,28566.2352404901,-1.65284092644874,0.000493166272664716,0.0130528564356762,0.105687294747052]
["POS06821","7-Deoxylogate",34.9366,361.152238007361,26705300.9501244,16270054.2955026,17650494.1901886,18173030.4313949,16964701.930482,7874136.50917951,8357913.52025589,6958490.98598918,6538381.34244435,6559215.7985547,19152716.3595385,7257627.63128473,-1.39997907565602,0.000289334016665661,0.00981575050944214,1.49251385644914]
["NEG06476","6''-O-Acetylholocalin",28.33615,352.098040043772,268374.022520974,347325.233106789,210810.476187877,261514.309106843,307993.496864331,115701.162259314,77999.8028719222,134786.687656726,107873.860022109,111940.56122107,279203.507557363,109660.414806228,-1.34827422988661,0.000131129482815484,0.0064455184245457,0.180437147869305]
["POS08007","6''-Feruloylspinosin",34.65915,785.21905380537,800838.635228531,1239660.68622413,948094.982418798,1106603.68921972,1255404.91066529,241254.608519523,311195.907713186,273933.386299598,385875.699063963,274108.96593112,1070120.58075129,297273.713505478,-1.84790956470876,{"v":2.73749630037952e-05,"d":"2.74E-05"},0.00306416606439352,0.389117211119705]
["POS07159","6-Amino-6-deoxyfutalosine",199.661,414.131503462994,45572.4486362407,124891.519954568,82337.9769971739,42762.8803861959,34582.345863987,93783.4527045123,288348.162197623,250462.775576387,232530.303031408,245240.42139582,66029.4343676331,222073.02298115,1.74985295515076,0.00311452613886973,0.0365650273468879,0.160418457490621]
["POS07593","6-{3,5-dihydroxy-2-[3-(3,4,5-trimethoxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid",35.1317,525.164864398652,512883.117214403,380462.114937196,252264.859577619,449080.275887326,417549.219923121,0,25910.2621284959,0,56136.6077124601,0,402447.917507933,16409.3739681912,-4.61620998507205,{"v":2.54208517573974e-05,"d":"2.54E-05"},0.00306416606439352,0.274384242065349]
["POS07974","6-[4-(5,7-dihydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",34.81705,753.198937299266,816084.943327777,840590.150058914,531435.189050141,755060.801415003,626789.539475239,38010.7340026673,147574.504135044,46418.8554796901,121842.156225697,79560.8795951743,713992.124665415,86681.4258876545,-3.04211337070292,{"v":8.22899738947719e-06,"d":"8.23E-06"},0.00172297086670396,0.352588413002847]
["NEG05715","6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione",37.6228,349.094262459823,53409.2651901939,93869.4589732664,99387.7016013739,153716.668464099,95614.9796350695,114830.676424846,305986.399838245,312454.737994278,308314.190981481,262128.706017139,99199.6147728005,260742.942251198,1.39422177939149,0.00421331695604158,0.0435582615521295,0.162974449431191]
["NEG05082","6-[2-(6-carboxy-5-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-3-methylcyclohex-3-en-1-yl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",192.002,665.181690020206,115745.707697083,79399.1152913464,131158.912876853,98567.4513119964,41604.1926552367,525589.729029545,230457.625233552,518601.29736536,408087.719725082,461107.596488873,93295.0759665031,428768.793568482,2.20032706412104,0.000333028262967827,0.0105254085315372,0.252070104753782]
["POS07946","6-({4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid",34.6015,723.192737980793,288538.243128633,663364.076023264,292842.366590319,355639.641249651,570824.850324748,103599.689757814,72717.9781439047,168715.389880199,27560.8944595228,98530.847257112,434241.835463323,94224.9598997105,-2.20431754287892,0.00286927231532595,0.0352589424902554,0.24502759550746]
["NEG04528","5-Nitro-2-(3-phenylpropylamino)benzoic acid",294.95,299.103452839417,11850.1883837163,20937.9893477335,13216.8873766539,28798.4166045757,15290.2575462699,39274.6476340586,58134.1119437011,66752.4863515572,76012.8119310433,58186.0703855335,18018.7478517899,59672.0256491787,1.72755599227536,0.000287924213101799,0.00981575050944214,0.0885061211016252]
["NEG05818","5-Methyltetrahydrofolate",36.6632,458.187705202063,472873.809828384,608867.801552569,281077.657115929,673827.422751019,478519.441883531,84663.9483999358,173188.508913335,225620.417339576,147513.644116469,196022.191096594,503033.226626286,165401.741973182,-1.60467926813917,0.00151437813550983,0.0241921907147696,0.245064476922063]
["NEG05068","5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside",192.248,649.208859517987,688201.426474532,835040.974652108,854783.284595546,1065339.29504819,651857.871986364,1583033.76779879,2366563.27444304,2632593.60025075,2465767.10310535,2383953.82007937,819044.570551348,2286382.31313546,1.48105279395915,{"v":7.07062598422318e-05,"d":"7.07E-05"},0.00500510442050421,0.529455731871385]
["NEG06213","5-Hexenyl glucosinolate",31.37475,400.077408863939,160554.030883552,123889.029011402,103256.163538672,106489.002546287,108306.103000322,31074.9079541829,64946.625453221,52141.0172337674,15375.7099335779,51979.317528139,120498.865796047,43103.5156205776,-1.48314211834338,0.000505496298166158,0.0133004996570425,0.121207523767144]
["POS04385","5-(alpha-Phenylethyl)semioxamazide",204.8815,208.104012466665,502529.22779794,1180656.28937479,1088008.45906507,1438701.04340788,915351.79992522,1999976.81967549,3303520.61872845,2983166.11665054,3141064.80090381,1857220.11077445,1025049.36391418,2656989.69334655,1.37409924339173,0.00136009888059636,0.023132023927405,0.533834608100353]
["NEG05903","4-Hydroxy-6-methylpretetramide",35.03435,380.085902888121,1119339.51480935,1102624.32197583,1163405.21738818,1086440.78777786,1243036.86316994,445545.593348336,274722.222118166,440355.920600476,474381.92988059,427055.002249944,1142969.34102423,412412.133639502,-1.47062802107117,{"v":2.12540596481425e-07,"d":"2.13E-07"},0.000473970422325046,0.383929043833982]
["POS05650","4,4'-Dinitrostilbene",330.165,271.070281808512,38314.250263311,108799.765290482,0,116589.714915401,45722.2334068437,247777.314812641,317546.28584789,381740.372800178,273680.343222229,253866.411650126,61885.1927752075,294922.145666613,2.25266799499949,0.000114119319198278,0.00594415492241113,0.208514095119022]
["POS08032","3-hydroxypropanoyl-CoA(4-)",34.8702,836.124991379742,1467858.38652646,1056230.12909706,1032776.71871206,1046939.91814242,1084590.73307326,146902.519002793,328573.409482058,83265.7006319844,162395.467515915,124412.689187687,1137679.17711025,169109.957164087,-2.75006026535331,{"v":6.27048280584139e-06,"d":"6.27E-06"},0.001624388585636,0.439774610279231]
["NEG06472","3'-Deaminofusarochromanone",28.34465,276.127891700609,145379.040601537,159333.770784544,196819.190714055,157100.890958731,241664.625107925,25045.6742734289,35151.7177193736,32209.7241628376,59299.9400307525,15867.4702447695,180059.503633358,33514.9052862324,-2.42559898584613,{"v":5.8683982742485e-05,"d":"5.87E-05"},0.00468738312155599,0.168659328602605]
["NEG05989","3,5,7-Trihydroxy-4'-methoxy-8-prenylflavone 3-[rhamnosyl-(1-&gt;6)-galactoside] 7-galactoside",34.2568,837.268435277449,269652.057152718,415165.404497937,158308.01797814,321037.732369523,438191.928929971,0,0,26086.9405876783,0,0,320471.028185658,5217.38811753566,-5.94072236898474,0.000268691391199175,0.00961485274267126,0.244627092424167]
["NEG04768","3,4,5-trihydroxy-6-{[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}oxane-2-carboxylic acid",246.813,309.087850393864,2590.18802082037,15117.3423371893,10291.7743895126,19039.787934444,5717.02083063909,22299.676764564,32695.953759313,52679.0686842927,45292.0634706719,38643.9925707165,10551.2227025211,38322.1510499116,1.8607683510671,0.0017119840845259,0.0255911753164949,0.069661237061658]
["POS07144","3,4,5-trihydroxy-6-{[3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropanoyl]oxy}oxane-2-carboxylic acid",35.03115,411.083985888123,1878372.99879791,1947045.21144034,1589596.22815257,1828839.25726507,1950470.85267507,468021.890040358,1457621.3539404,621522.159439416,952861.282598047,675484.155050634,1838864.90966619,835102.168213771,-1.13879088158096,0.000658599855540283,0.0154236500200612,0.432219691500318]
["NEG04012","3,4,5-trihydroxy-6-(2-hydroxyphenoxy)oxane-2-carboxylic acid",393.647,285.06660828854,116410.999293182,141831.943390833,101321.399003773,215366.277085967,146944.656015154,27132.1120071682,48848.2054694269,43151.6617031296,38697.7044996307,37821.7405127681,144375.054957782,39130.2848384247,-1.88346397860324,0.000745795068725339,0.0169337123980124,0.137954468430131]
["POS07845","3,4,5-trihydroxy-6-({3-hydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl}oxy)oxane-2-carboxylic acid",34.8696,649.216443651643,361880.9726539,265151.80238676,267308.251934328,558064.159582738,344957.99927543,13628.8334246849,43649.1898447016,22346.6953059075,77368.9187843179,14316.5531446209,359472.637166631,34262.0381008466,-3.39119907900389,0.000345987831468386,0.0107046838784606,0.243851970306326]
["NEG05901","3,3'-Bisjuglone",35.0457,345.035548141999,187810.588733577,315053.19201802,275981.445344151,347899.652873198,431880.507833173,414887.048682585,894728.010783388,1025807.68578723,852125.54451605,954756.177311916,311725.077360424,828460.893416234,1.41015937804339,0.00199219130945211,0.0281106363633415,0.295545200956025]
["POS08061","3-(3,5-dihydroxyphenyl)-4-(2-{3-[6-hydroxy-3-(3-hydroxyphenyl)-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl}ethenyl)-2-phenyl-2,3-dihydro-1-benzofuran-5,6-diol",34.8696,875.268634693667,775185.481693956,600632.916569106,549101.729136431,526938.625324882,593736.343480112,0,115786.814813839,37740.6007985811,26360.6170932896,40536.929224603,609119.019240897,44084.9923860625,-3.78836463643755,{"v":2.40358738865257e-06,"d":"2.40E-06"},0.00134390579868037,0.338054057924663]
["NEG05916","2-trans-Hydroxycyclohexyl glyburide",34.8045,508.121325620989,32265.8384707206,87817.9942758307,85809.6849233697,106584.433323992,52670.740795874,234274.507181787,452727.361258952,571741.825746348,497450.521667778,411145.126618593,73029.7383579574,433467.868494692,2.56936908832972,0.000256211065284591,0.00939370569686865,0.2577149460697]
["NEG05038","2-phthylamine",192.257,142.06479194251,2215306.94958131,2782063.82123147,2689273.84583185,3564218.56768758,2258026.49431681,5422505.2181725,7288795.11107996,8922776.78665872,9418144.26372686,7939048.60008435,2701777.9357298,7798253.99594448,1.52924204365305,0.000127933820030332,0.0063583108555075,0.987311839822243]
["NEG03599","2-O-Caffeoylglucarate",416.026,371.065487626249,124811.119975872,166939.161912508,126655.105218295,276064.022987094,178028.428803192,28742.9451772483,70928.1222108047,69383.6342891964,57945.2263677702,52646.777795374,174499.567779392,55929.3411680787,-1.64154622201219,0.0031959372750455,0.0370347860913951,0.141899360507236]
["NEG05946","2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(2,3-dihydroxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid",34.5346,470.120366662632,347393.737056159,219789.369802189,231271.495608925,314101.496835967,263217.021934103,63158.9896129508,70922.7297855278,77761.5567356636,24187.736826691,72399.4283431141,275154.624247469,61686.0882607895,-2.15722550705582,{"v":3.83422604011922e-05,"d":"3.83E-05"},0.00366671883557013,0.204362186893754]
["NEG05924","2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(4-{[8-(1,2-dihydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl]oxy}-3-methyl-4-oxobutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid",34.774,666.210649346716,509097.799119744,729646.020032424,450432.699673479,657364.75840423,812002.894567872,0,0,10569.4923683473,0,19941.244126498,631708.83435955,6102.14729896906,-6.69379893265044,{"v":1.48335441342314e-05,"d":"1.48E-05"},0.0022116814304139,0.352274603026652]
["NEG06223","2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-(3,5-dihydroxy-7-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate",31.30775,512.069916494395,386974.333079491,318630.808093197,202842.798351361,347363.972355954,379165.145845592,53865.5921113378,115036.198353124,116869.215061836,32333.0630957484,216556.317906033,326995.411545119,106932.077305616,-1.61257569649722,0.00143019642918929,0.0237618275642088,0.199339998196653]
["NEG04808","2,3-Dihydrothiemycin",232.2885,273.087975387417,38129.5155791848,58471.6965113154,53715.7432219626,87603.6965619538,41844.5190556081,80019.5035579717,142698.664372987,171576.796403006,170292.166617014,151026.573763886,55953.0341860049,143122.740942973,1.35496464981692,0.00171191346745976,0.0255911753164949,0.123598519212424]
["POS06227","2-(3,5-Dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-carboxylic acid",290.852,302.033700805228,416276.106526205,334144.353788753,196778.291718953,217538.512040637,360957.979921026,80281.3628016246,79110.3085614223,121017.94041709,49937.189723293,91705.3576969507,305139.048799115,84410.4318400761,-1.85397360401374,0.00100085660845378,0.0198750296061885,0.201810897350475]
["NEG06021","2-(2,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one",33.8947,431.140141404274,742298.566481015,603454.541666839,484325.424352883,581892.74428505,605397.637911242,161380.292011851,16888.4925104245,14589.8666095859,41532.463958574,107034.686340209,603473.782939406,68285.1602861289,-3.1436471049395,{"v":5.23162077983723e-06,"d":"5.23E-06"},0.00159818195093569,0.325321874890421]
["POS05680","1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one",33.90525,273.062797249275,1062135.34889085,665228.726841991,727638.53171762,901923.823712347,921086.783066718,370514.66397058,744501.301908769,227520.939603854,313339.522611102,187318.162871717,855602.642845905,368638.918193204,-1.21473255063821,0.00404015147616329,0.0432096922797142,0.289196378360805]
["POS04953","1-Methoxypyrene",36.8472,233.100743331749,817615.065898205,530542.190485189,790183.31214634,374575.328687923,392447.365258046,835218.423695311,1255782.01569524,1617787.36615088,1154776.42617618,1212660.97164437,581072.652495141,1215245.0406724,1.06445678398607,0.00372315323435997,0.0411201590550424,0.320625376858641]
["POS06694","13-(2-Methylcrotonoyl)oxylupanine",317.612,347.22910620421,59128.0844814138,112210.392481532,77129.065256132,109524.933355221,17588.0183821915,129816.076985034,146904.073651647,204310.139992935,177682.611894139,194097.188295306,75116.0987912981,170562.018163812,1.18310237126074,0.00280353247951749,0.0348338910580048,0.128415016574909]
["POS07432","11-O-Demethylpradinone II",36.07805,481.0787031058,639291.541163528,438528.23625163,836990.104555834,582563.5659917,614432.708761552,1683088.82644659,1486447.68150385,1137389.71557424,1099178.97231647,1348799.10780126,622361.231344849,1350980.86072848,1.11818313757789,0.000421681210782791,0.0120908977937912,0.367447228126671]
["POS05375","10-Hydroxycarbazepine",239.488,255.111796690101,4604.22730083072,5354.87259234597,7082.2523751676,38511.9641341363,0,133465.756393069,230785.233354671,155185.902137752,291852.597101364,197238.898591767,11110.6632804961,201705.677515725,4.18223484290284,0.000172903070370913,0.00791653330252131,0.191802747597026]
["NEG05185","10-(beta-Dimethylaminopropionyl)phenothiazine",178.429,297.103260016583,76850.7149606402,120799.199277363,94090.6682271451,128444.782533901,121684.789288655,13163.0013841996,43781.1183336912,57398.9687011604,37040.8254298989,37258.6543892495,108374.030857541,37728.5136476399,-1.52229192212943,0.00040186455937751,0.0117486285888601,0.115512045102517]
["NEG02232","1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene",529.111,271.091804968432,1624558.12623633,1939230.48702876,1231964.46399344,1031218.06781257,984078.15936638,4564688.18852505,5527720.3254349,4478525.72468196,4200862.63588781,2681231.08885886,1362209.8608875,4290605.59267772,1.65523230881984,0.000357678172835185,0.0108857372483024,0.728996479176814]
["NEG05843","{4-[2,3-dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-methoxyphenyl}oxidanesulfonic acid",36.5098,427.025134881212,195661.716902187,169946.570203751,153995.276380988,204969.892046451,201777.289364959,28226.2137935166,36307.7331109869,55045.0358897902,85993.0739127204,49083.0899486412,185270.148979667,50931.0293311311,-1.86301367084046,{"v":1.19906036507144e-05,"d":"1.20E-05"},0.00198644333813502,0.162097973832203]
["POS07075","[2,6-dihydroxy-3-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid",32.823,398.99236492243,2544136.77052386,1607051.91782349,2649984.78236868,2785430.41241329,2323891.74237346,5181362.66089911,4531321.04116873,4207941.60554236,5053986.69919046,4971971.46747529,2382099.12510056,4789316.69485519,1.007586388727,{"v":2.34936620687816e-05,"d":"2.35E-05"},0.00306416606439352,0.696108952761585]
["NEG05956","(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]glycine benzyl ester",34.5185,485.137874989134,301672.129896975,517743.460869439,426726.544748905,526674.151608837,547988.827916718,1342574.61781761,1629749.90332898,2324720.44091469,2128520.15166501,2173282.96634757,464161.023008175,1919769.61601477,2.04823590373219,{"v":6.21516076258601e-05,"d":"6.22E-05"},0.00478930776881513,0.529157937287855]
["NEG05852","(4-{[2-methoxy-4-(prop-2-en-1-yl)phenoxy]carbonyl}phenyl)oxidanesulfonic acid",36.3964,363.053967797778,101030.644688765,147750.551212134,65181.3312990484,92012.4044964899,107533.825632379,32712.2494131841,34075.063254777,44281.3708427476,41806.1122093479,21249.4247830019,102701.751465763,34824.8441006117,-1.56027198596618,0.00125961044646882,0.0220950491257061,0.110753156151739]
["NEG04076","(3-{5-hydroxy-8,8-dimethyl-2-oxo-4-phenyl-2H,8H-pyrano[2,3-f]chromen-6-yl}-2-methyl-3-oxopropoxy)sulfonic acid",382.2015,485.090445127703,4000007.19915587,4567144.21590771,3746935.31727099,4862285.47712587,4761760.21663051,1442454.0588255,1677274.63975373,2406428.43315376,2126468.80220584,2419477.44910017,4387626.48521819,2014420.6766078,-1.12307571911619,{"v":4.09872438583739e-05,"d":"4.10E-05"},0.00366671883557013,0.680150714393986]
["NEG05913","(2S,2'R,3S,3'R,4S)-3,4',5,7-Tetrahydroxyflavan(2-&gt;7,4-&gt;8)-3,3',5,5',7-pentahydroxyflavan",34.8126,559.11903212329,892827.487125739,996214.548853706,821996.731613429,897275.382510008,1018622.79237406,257593.030646327,13726.4886814148,127244.372954813,94112.6138290492,58086.3546974719,925387.388495388,110152.572161815,-3.07055425382075,{"v":4.23850142924253e-07,"d":"4.24E-07"},0.000473970422325046,0.405933049895798]
["NEG04843","(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid",222.3855,229.097602443855,2557486.06903765,3784882.83958449,3788801.89657615,6309341.30139096,2761061.05854038,5281385.96172463,7883658.61934511,8330579.27086978,9322125.67047036,8617253.99628246,3840314.63302593,7887000.70373847,1.03825225709669,0.00296170707706145,0.0355166642243857,0.838718538676253]
["NEG05212","(1-Ribosylimidazole)-4-acetate",173.9515,257.077427757891,63581.545407396,81125.6549165365,41238.414710782,90538.2092355603,61751.4444595548,15986.8488895802,24647.326203667,34330.867527146,23471.5044561675,16189.8238297769,67647.0537459659,22925.2741812675,-1.56108811316506,0.00122785805333894,0.021804732382669,0.0896084623732405]
["NEG04568","(+/-)-6-Acetonyldihydrosanguirine",288.932,388.118908717943,9038984.83616084,8353883.85528391,6732101.8383396,8026379.22503706,8096625.90572298,2287143.02444516,1999622.52069067,2846710.77209036,2290396.44645028,2747371.26027394,8049595.13210888,2434248.80479008,-1.72543958870632,{"v":7.3245101440553e-07,"d":"7.32E-07"},0.000555162406440203,1.06607512703833]
["NEG06000","({6-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid",34.1977,819.157669506715,150909.572432943,216112.21397841,70285.2660209732,280126.898423063,125191.828171012,11529.092629712,0,46839.0095124829,27080.0054639086,19399.1667277221,168525.15580528,20969.4548667651,-3.0066026970856,0.00418875918308347,0.0435582615521295,0.156252914080725]
[]
[null,"Tryptophan and its derivatives"]

{"sheet":"Table S2-4","index":3,"n_rows":698,"n_cols":20,"rows_kept":698,"merged":[[0,0,0,19]],"flags":["formulas_cached_only"]}
["Table S2-4 DMs in TM-06T vs. TM-TP"]
["Compound ID","Name","Retention time (min)","m/z","TM-06T_1","TM-06T_2","TM-06T_3","TM-06T_4","TM-06T_5","TM-PT_1","TM-PT_2","TM-PT_3","TM-PT_4","TM-PT_5","TM-06T mean","TM-PT mean","log2 (TM-PT/TM-06T)","P-value","FDR","VIP"]
["NEG00066","Indole-3-ethanol",291.356,160.07551288147,5510257.17789544,6326842.61382043,3770901.51391083,5309198.63487336,6835686.78982939,1784334.91552104,1358914.0003887,1825395.86710322,2107656.43586071,2431950.80866382,5550577.34606589,1901650.4055075,-1.54538579266153,0.000169937373840518,0.00215945986701318,0.743139858409465]
["NEG05297","Indolelactate",166.218,204.06308852325,13979.3471573445,26588.2614323839,22358.3533916711,26649.0022788762,26408.7014330103,4326117.83593676,2811962.32953622,2833658.71394203,3146859.83223691,3046589.00314151,23196.7331386572,3233037.54295869,7.12282480947674,{"v":3.07898127082856e-06,"d":"3.08E-06"},0.000193975820062199,0.734930725611229]
["NEG05953","3-Indoleacetonitrile",34.5192,155.064206865227,910811.097883777,1955564.86546924,1869012.5709424,2207731.78550149,1482413.99392794,4498593.36018889,4375432.83539993,3708623.50354905,5674463.52996501,4708793.20230894,1685106.86274497,4593181.28628236,1.44665364152423,{"v":7.2195729683813e-05,"d":"7.22E-05"},0.00124204422644498,0.661979588364996]
["POS00036","Indoline",176.869,120.08059972522,27532930.3932509,31552952.5415764,23390984.8373327,32725850.842061,23637931.723463,10649622641.914,7025182755.25856,8087236420.96764,8364057832.7923,4853169318.47451,27768130.0675368,7795853793.8814,8.13313319586359,{"v":3.54958957547696e-05,"d":"3.55E-05"},0.000745413810850161,35.8653029256817]
["NEG04240","Desacetoxyvindoline",360.982,397.218751185681,24940.3369402607,34964.0904786594,8513.23926928779,23430.6347133941,31965.3347507223,70318.5445270944,72828.194820561,66855.9117997777,72241.3797391914,120200.807304682,24762.7272304649,80488.9676382613,1.7006208374555,0.000963292596092744,0.0071614307872757,0.0902232178289135]
["NEG05271","3-Methyloxindole",166.4595,146.059774075649,9300.81755271303,8778.99536131593,12726.8858003802,27100.3626038349,11684.271855605,436988.727170518,309196.799367381,562004.268011513,375079.969960995,417721.885422682,13918.2666347698,420198.329986618,4.91601897238064,{"v":1.05332306810355e-05,"d":"1.05E-05"},0.000368087037783374,0.26093116707743]
["NEG04844","(Indol-3-yl)acetamide",222.292,173.070852976586,774077.75482651,64555.5885595937,59905.8688950112,113882.485845986,63242.8256340889,807865.312964887,656335.475492561,751093.595124525,684996.379319295,697804.706850556,215132.904752238,719619.093950365,1.7420052637058001,0.0076579559150895,0.0362860559408849,0.27216080732673]
["POS04646","N-Acetylserotonin",238.6915,219.112081689243,61920.328325456,105081.305219325,63669.4298952125,96702.6698463757,93078.1847759003,177680.005560167,93279.3894972584,191831.298838037,155067.932932889,250259.449355356,84090.3836124539,173623.615236741,1.04595045614577,0.0106553849646167,0.0472832707804866,0.109616159205573]
["NEG06714","4-Carboxy-4-hydroxy-2-oxoadipate",24.8373,219.010912716333,354467.070965748,493066.794668357,364439.756197274,479247.051023597,489189.597231319,169780.691327901,200863.051005939,218877.545042617,178737.404150412,127599.370426565,436082.054017259,179171.612390687,-1.28325754310523,{"v":8.09178169652615e-05,"d":"8.09E-05"},0.00133559186452256,0.200437510914487]
["NEG00688","2-Aminomuconate",672.716,156.028903765127,1350548.47677779,1521973.60017746,1115905.06372799,1336917.83037791,1684782.13221062,3466701.05667066,3078864.20404274,3557732.55390275,2716061.05770669,3282039.17128752,1402025.42065435,3220279.60872207,1.19967345169845,{"v":7.32905721255976e-06,"d":"7.33E-06"},0.000300166095255187,0.554020428371813]
["NEG05718","2-Amino-3-carboxymuconate semialdehyde",37.516,184.02403404817,90258.3624854989,141467.543725629,107403.704033842,143887.266474025,234855.312289455,424815.959428007,454733.438447358,275547.640119287,524817.479034311,373108.379544546,143574.43780169,410604.579314702,1.51595080482328,0.000581039643946651,0.00498022689179661,0.194621975174933]
["POS02539","2-Aminoquinoline",291.111,145.077537283515,252445.317232815,374088.093870553,208914.959832905,301859.861461984,400420.241888211,3333151.19746604,2702732.04018858,3483892.40652632,3787246.38123317,5092011.25166168,307545.694857294,3679806.65541516,3.58075728032235,{"v":2.80543153166309e-05,"d":"2.81E-05"},0.000653577877142136,0.731574239852501]
["POS00272","1,3-Dimethyl-6,8-isoquinolinediol",177.139,190.085399515033,958147.869749637,1320049.86061547,956654.614570306,1497641.20789346,1258488.28441052,22352624.6264683,17417043.6059018,18020414.9484239,19672953.6197915,15742129.9257017,1198196.36744788,18641033.3452574,3.95954556648743,{"v":2.99864278663168e-07,"d":"3.00E-07"},{"v":4.62514799469086e-05,"d":"4.63E-05"},1.71658145496439]
["POS06813","Quinoline-3-carboxamides",326.145,360.111686420316,239100.498513661,266664.660932859,143284.134095191,242858.950795575,253206.491718593,23239.2000336887,14332.7400691702,14428.363607138,41350.3024282761,50936.9701722068,229022.947211176,28857.515262096,-2.98847316905789,{"v":2.50407595258117e-05,"d":"2.50E-05"},0.000617868441654605,0.176733315517242]
["POS03945","2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid",34.33695,192.086067741861,677306.334833789,673842.951272031,412374.042756582,769385.139993848,615184.919786366,1083645.17765462,1442674.03367696,1146611.86245048,1385602.19580102,1350479.98025834,629618.677728523,1281802.64996828,1.02562391321753,0.000104832709786461,0.00160039833063085,0.316267676779218]
["NEG00043","Xanthine",44.7537,151.024786029399,1125185.83726974,1979172.22591628,1266761.83221016,1333387.68263632,2215262.54633718,4606991.12020562,4995411.43227993,4903961.16963999,7182164.25723703,8900506.78229476,1583954.02487394,6117806.95233147,1.94948412229072,0.000758204629334322,0.00603460730785129,0.798160784967006]
["POS00083","Vigabatrin",27.11425,130.085918829111,10295824.5577303,19954481.4653588,12637244.547051,12678009.1208613,18612537.0719213,27301323.5952231,32163815.1439618,33293007.3916234,36408639.9272711,52066900.5492301,14835619.3525845,36246737.3214619,1.2887859823883,0.00167116470588395,0.0108808147444235,1.70848844680429]
["POS00011","Valine",38.8809,118.086129672516,263849485.163475,335884145.818756,249717021.914606,395599287.163473,341111804.13465,855607825.112231,821787035.839907,859570748.620411,770253724.528215,779645562.94808,317232348.838992,817372979.409769,1.36545465861453,{"v":3.30581663367786e-07,"d":"3.31E-07"},{"v":4.92897260081369e-05,"d":"4.93E-05"},9.19336643986339]
["POS00312","Val Asp Gly",44.22905,290.133572132731,2122442.70762511,2204365.48710303,2500226.37688028,2274921.38407595,1649635.34704457,5309019.10957765,6457546.66522571,6964149.87215453,6767976.06736601,4721660.8650501,2150318.26054579,6044070.5158748,1.49097028894991,{"v":2.87950946773375e-05,"d":"2.88E-05"},0.00066304725416993,0.784239977681269]
["NEG00052","Uridinediphosphateglucose",28.6079,565.047220701244,1844358.10812334,2681811.69021242,2124305.49687884,2199234.47054584,2800805.07653982,4956240.0725896,5615357.30545248,4912382.71069837,7234977.33364393,7246693.79736433,2330102.96846005,5993130.24394974,1.36291601746575,0.000167461669379974,0.00214359221739888,0.731139686978071]
["NEG00045","Tyrosine",44.4795,180.065457178064,6374505.7791898,7271838.43281077,5569433.05582202,7333686.93414781,7330980.33312045,18059375.5274977,17496849.342251,17191698.3676397,26664949.0371838,29195690.2715617,6776088.90701817,21721712.5092268,1.68061313859826,0.000423163727643938,0.00395985638860112,1.47264828258815]
["POS00360","Tyr",95.6844,182.080604788445,10942714.7180016,11974861.20499,9435464.9928338,15127813.3162626,11474790.5275902,40098431.7211365,39881811.1564722,33776080.9976523,49388434.3801684,48658291.7583929,11791128.9519356,42360610.0027645,1.84502150760122,{"v":9.30206967087792e-06,"d":"9.30E-06"},0.000346734646981975,2.19926633655637]
["POS00094","Spisulosine",432.848,286.309360376082,5193959.29636701,7901947.91502306,7118055.79369992,7412638.9537755,8364734.88743554,17750642.5987986,14084740.8551119,14700832.3960123,18386703.1753236,22816411.0063491,7198267.36926021,17547866.0063191,1.28557400004529,0.000240948912575278,0.00274240327213542,1.24623764892029]
["POS00250","Sarcosine",30.9776,90.0552313565389,211327354.048889,248734230.918459,158534772.889825,249735456.030598,245098984.584687,656890421.664919,643358851.633152,692781702.721537,641620279.751623,737845005.461748,222686159.694492,674499252.246596,1.59880494871664,{"v":1.00946630795638e-07,"d":"1.01E-07"},{"v":2.37649620815204e-05,"d":"2.38E-05"},8.71929013320532]
["POS00065","S-Adenosyl-methionine",31.9676,399.14309936073,8364690.17346222,9334444.73408361,7348976.08328521,8241483.39034946,7430292.3326015,23208513.5780686,20297725.678989,23049235.3788286,21470188.3835674,27101617.2189378,8143977.3427564,23025456.0476783,1.49942427813145,{"v":1.7410908678359e-06,"d":"1.74E-06"},0.000134274128479827,1.57540670066065]
["NEG00067","PS(18:1(9Z)/0:0)",403.287,522.283255724819,9221405.31452951,15995505.7971538,7827736.59185257,14480447.0027915,13372696.2137468,39584227.929704,42167928.2947446,43629559.2482522,54371436.3690625,76324965.4956625,12179558.1840148,51215623.4674852,2.07212217534168,0.000497127074396239,0.00442505503527985,2.38361387447094]
["POS00216","PS(16:1(9Z)/0:0)",436.0745,496.265544474174,3273059.77478556,5209237.61323012,4762176.36578981,4734541.62936631,5152417.31902989,7129712.35479253,9733045.98320781,8640619.61595064,8571748.60891707,12263067.4733027,4626286.54044034,9267638.80723415,1.00234719274523,0.00103039836895278,0.00749426325906632,0.795818918820004]
["POS00326","Pro Pro Pro",175.229,310.174912355546,1354422.29291821,1568644.03760064,1191712.54242006,2464388.06879641,1761685.2597774,4738150.71832587,3800850.07288871,8817726.23778391,10010919.7442958,9768577.53411092,1668170.44030254,7427244.86148104,2.15456044253411,0.0025266128310946,0.0152517398022755,0.890947483179661]
["POS00221","Pro Asn Thr",176.7525,331.16382344311,3738.09235322323,0,4417.94001519946,0,4183.83655959126,11354908.5437656,6366093.10567326,7825539.39855774,7505764.99735023,5173818.30762667,2467.97378560279,7645224.8705947,11.5970161506549,{"v":7.90642158249696e-05,"d":"7.91E-05"},0.00131469976723081,1.12539961307103]
["NEG00106","Phosphatidylinositol 18:1-18:0",563.987,863.565420018897,28517147.12434,29896774.2882525,21897009.1872083,24595285.3834695,20938504.8274908,67896194.1341379,56392398.7596671,44712335.9215474,60644382.5492983,86378405.6046284,25168944.1621522,63204743.3938558,1.32838813726571,0.000698019221375829,0.00566927712674031,2.38226225937162]
["NEG00075","Phosphatidylethanolamine lyso 16:0",446.9215,452.278057225394,1036263.93881564,1113239.93369422,940396.040087314,1257407.08798835,698649.866744982,2602705.8230916,1385570.55178923,2108252.28303936,2045069.95419826,2444031.1238614,1009191.3734661,2117125.94719597,1.06890731802854,0.0013240853287551,0.00906705413618702,0.416612684767599]
["NEG00053","Phenylalanine",152.743,164.070393853914,5602790.55118838,6817956.74383225,4909197.81364518,6709239.51335017,7220453.36612932,1970517863.41426,1236019781.7986,904562457.268356,1515934423.58705,1002542571.27157,6251927.59762906,1325915419.46797,7.72847196224901,0.000130695231061956,0.00187371720685939,14.5145608482159]
["NEG00110","PE(18:1(9Z)/0:0)",451.214,478.293535981277,27832846.586647,46716508.6055579,27764095.3232615,43227340.4725015,42067612.126902,116381647.427289,107303651.126809,116622241.683575,134489935.601651,185913431.575691,37521680.622974,132142181.483003,1.81629471314789,0.000202407068547447,0.00243805111701,3.78349858598238]
["POS00225","PE(12:0/0:0)",361.714,398.228868892308,526786.945488877,637907.541942497,171735.472906017,450629.359828949,574384.29643048,1003076.74186459,1019492.13135343,1025099.29195498,1255669.31789447,1855793.32224853,472288.723319364,1231826.1610632,1.38305767876017,0.0030973128048362,0.017706965175743,0.323835022422122]
["POS00203","PC(18:4(9E,11E,13E,15E)/0:0)",414.403,516.304621933359,4908469.20184509,6576788.74892922,3702284.67745141,6458126.25617736,6362070.93599134,11692039.734154,10128350.8729574,11919651.6437974,11812030.9921744,14949619.3858959,5601547.96407888,12100338.5257958,1.11114993965231,0.000147815216262884,0.00197162721797708,1.0123118643171]
["POS00271","PC(0:0/12:0)",363.584,440.275736112263,1862218.10327158,2109226.65994926,1012875.23259537,1868012.5825896,2019068.82621416,4473668.15453146,4537409.26842015,4505033.85433957,5210899.96481214,7390442.10992383,1774280.28092399,5223490.67040543,1.55778030169047,0.000393935077649896,0.00377649306451533,0.71827516339843]
["NEG00028","Oleic Acid ethyl ester",599.701,309.279633225488,51993365.6036437,57256504.5261399,44462630.0640903,47445565.3112557,57206072.7930791,148665805.039142,115786526.522082,150706144.490285,134031064.490433,136683028.085081,51672827.6596417,137174513.725405,1.40853472282943,{"v":1.43755971018938e-06,"d":"1.44E-06"},0.000116912810612311,3.81428968011644]
["POS00034","Nicotinic acid",44.4588,124.039096082169,8660420.42335237,15283902.8918478,12289079.2976893,14144924.8050234,16651696.8140993,21932085.3019787,22706468.8663077,26005192.741181,31462688.94654,40424482.1723604,13406004.8464024,28506183.6056736,1.08839554437103,0.00347326629911414,0.0194442054517366,1.39916212190166]
["POS00141","Nalpha-Acetyl-L-arginine",37.3933,217.128872834719,7134396.67847348,15505636.3494034,11846342.7417009,7521155.97260526,8156042.07837837,39708221.5647381,38052697.5533465,32804892.4152538,30221399.1077679,35198873.125973,10032714.7641123,35197216.7534159,1.81074931184157,{"v":5.0822828814741e-06,"d":"5.08E-06"},0.00025880871138417403,2.03122855505162]
["NEG00040","N-Acetyl-D-phenylalanine",200.913,206.08139155476,148695.702696257,156507.050967729,148522.658040928,164366.09191373,178425.395444034,2642756.96168161,2448930.98894482,2526396.88043147,3415041.38354584,4212031.66704743,159303.379812536,3049031.57633023,4.25850231043086,{"v":2.70139626412915e-05,"d":"2.70E-05"},0.0006359655520763,0.67179109175682]
["POS00223","N2-Succinyl-L-ornithine",93.7027,233.112381103469,8798070.40784571,17961066.3160373,9972140.36017611,13570338.1392191,12051101.9849309,36068709.911677,32959360.5436297,32093906.8216119,35006405.1360062,28911258.2608553,12470543.4416418,33007928.134756,1.40428824895142,{"v":7.7204314537405e-06,"d":"7.72E-06"},0.000303982997449985,1.83775017692458]
["POS00143","LysoPE(16:1(9Z)/0:0)",415.596,452.275658103299,30237050.1675237,40564290.5504176,20813767.2246113,36012355.7727057,36933726.9917649,61538616.5466557,63766393.9595603,65363380.5817266,82270617.4574273,100725837.389485,32912238.1414046,74732969.186971,1.18312070475437,0.000946513502375754,0.00707985768583068,2.44940626857737]
["POS00174","LysoPC(16:1(9Z))",414.4,494.322587619606,126808074.153107,195857337.00112,107328688.264761,183416731.96662,181043834.849814,308594240.543926,286226696.348972,308027927.087475,328906913.172891,423806305.172484,158890933.247084,331112416.46515,1.05928430882706,0.000417786761714124,0.0039312592942692,5.09609898277476]
["POS00195","Lysine",27.1143,147.112286434918,24244106.5944872,42928092.5299315,32123951.3942122,31532664.6412933,39227303.6661163,73572239.8042017,88292652.3867579,81075836.1101923,97196037.7443222,126995396.203323,34011223.7652081,93426432.4497594,1.45781986182482,0.000304357180028833,0.00315136496821521,2.93138167046473]
["POS00237","Hydralazine",291.113,161.082974595635,8549821.55908086,8741520.53669737,6108642.09466489,7152990.58008054,9253843.52754275,3296675.10958174,2359814.01893957,3260060.67109194,2959552.90353189,4112022.6177602,7961363.65961328,3197625.06418107,-1.31601477719195,{"v":7.72308133781389e-05,"d":"7.72E-05"},0.00128900532925528,0.850889357134137]
["NEG00021","Histidine",34.4275,154.060826380478,16245021.949453,32692958.0929908,28434564.5761333,34721599.9494533,22321547.5064429,69647427.0863005,68643000.2128581,58091725.3690097,83364449.3739797,73200051.7654422,26883138.4148947,70589330.761518,1.3927485712272,{"v":3.52282366226496e-05,"d":"3.52E-05"},0.000743282558552413,2.59232500624711]
["POS00199","Glycidyl oleate",452.37,339.288103469432,2518777.47125573,4159396.71227729,2915675.64739839,3904467.23730606,4118923.83678816,9594250.82820204,9575132.66013701,9921887.63560762,13274856.5340623,14920212.7178089,3523448.18100513,11457268.0751636,1.70120318034616,0.000133029675180971,0.00188129542140574,1.09043126569658]
["POS00284","Glu Phe Cys",232.016,398.136689942276,73591.2062310106,126172.657887754,80803.8113491238,95951.6683678442,138001.129709647,3622667.1755951,2927689.30566201,3717075.73485277,3495192.26352,3971572.57950643,102904.094709076,3546839.41182726,5.10716171619504,{"v":4.38686550197069e-08,"d":"4.39E-08"},{"v":1.40160352787963e-05,"d":"1.40E-05"},0.761579456222888]
["POS00190","Glu Phe",216.787,295.127798128513,305320.118209815,495579.063215806,288099.302563714,359187.698772849,436880.142730708,7924337.90286971,7006608.79608116,8023620.21865946,8159461.63002067,9481468.8435141,377013.265098578,8119099.47822902,4.42863253091945,{"v":5.09972336790549e-08,"d":"5.10E-08"},{"v":1.42569141404008e-05,"d":"1.43E-05"},1.13633510381112]
["POS00317","Glu Gly Met Asp",141.038,451.147651034118,113028.929582559,527651.283508771,161962.94647104,469286.680545651,388094.189083623,1485936.11651764,530518.458483561,1684362.45598198,1986793.27317397,1618137.85033821,332004.805838329,1461149.63089907,2.13782789659437,0.00248271045488647,0.0151084110173312,0.404041921959604]
["POS00338","Glu Cys Met Ala",220.722,453.142380181052,1599227.96865843,2265852.12167233,1739533.38163421,2346494.9596355,2348455.60448,678570.051902037,666509.141533961,747919.490305851,791209.380551285,923567.622093932,2059912.80721609,761555.137277413,-1.43556287372255,{"v":5.64561739704637e-05,"d":"5.65E-05"},0.00103973808812276,0.455573627769863]
["POS00242","Glu Cys Glu",117.504,380.11083924808,3115711.70870804,2940770.44219202,1911215.11059919,2627953.53249148,3640189.69113934,7225440.87328832,5640160.03819693,6476276.46989983,8002104.88573461,9301463.89622529,2847168.09702601,7329089.232669,1.36410625702153,0.000192103785598288,0.00235419241912641,0.833081493195999]
["NEG00060","FRUCTOSE 1,6-BIPHOSPHATE",25.009,338.988282947268,17296778.3975854,14726497.9686317,10845954.0998469,15925873.5669545,19647740.5975013,39636026.9048037,28127934.7500467,34343100.7384014,47270651.5489429,64159406.95822,15688568.926104,42707424.1800829,1.44477312799828,0.00287305950354479,0.0166898638433193,1.93370101186045]
["POS00328","Dihydroneopterin phosphate",178.744,336.069055823494,0,4838.2473669011,0,24638.1933877734,5557.32517072019,343537.107880477,929108.557845162,1058841.58127901,1087686.00776655,1258482.53204636,7006.75318507894,935531.157363512,7.06089581445192,0.000357434683768222,0.00353717995684792,0.365079253419463]
["NEG00056","D-Glucose 6-phosphate",27.2821,259.021988558573,41325732.1928497,53433499.8635489,36480596.6651268,41966479.5526692,55519134.0305861,71217160.8574056,80033987.8294503,93247803.2747407,100849566.247325,135326088.576099,45745088.4609561,96134921.3570041,1.07144373733546,0.0025455374649296,0.015345268302736,2.60769149491981]
["NEG00111","D-GLUCONATE",29.14535,195.049940862182,3935329.75390156,4650424.33443434,3016260.6536486,4998983.62771776,3679315.07373905,8231171.18646208,6290384.77648085,8580239.54438611,9144894.41504035,14006771.0821818,4056062.68868826,9250692.20091024,1.18948137194885,0.00450310481133991,0.024326555339521,0.843998936464474]
["NEG00058","D-(+)-3-Phenyllactic acid",177.278,165.054434960656,881116.129102366,992388.071217768,893085.199349245,1253208.73705282,976352.11396565,21917776.4800896,15170820.2569227,19109831.7819824,20744345.9807084,22499565.4715627,999230.05013757,19888467.9942532,4.31497147545259,{"v":5.41002001826843e-07,"d":"5.41E-07"},{"v":6.20487680556787e-05,"d":"6.20E-05"},1.77821810127416]
["POS00127","Cys Glu Arg",37.27515,407.169368192112,1968237.4668474,9092863.64799115,7471022.37560935,5358547.85402882,3987190.37356546,17778871.0932485,13965278.2503562,17399204.5690135,10832203.2771466,13079097.80046,5575572.34360844,14610930.998045,1.38985629529643,0.00110854193688812,0.00794049248074172,1.17259955961663]
["NEG00103","Castanospermine",37.1368,188.091747142682,681758.720739986,924514.014277318,666822.849945338,1152417.91881552,880905.096993391,2545700.20554775,2151681.45301659,1666724.31789822,2414818.36101692,1732433.2398788,861283.720154311,2102271.51547166,1.28738854322621,0.000239347507198462,0.00274240327213542,0.439042932296826]
["POS00170","b-Imidazolelactate",35.6714,157.060257428646,2420149.80649541,4226936.44975744,3743467.97551316,3505202.49667154,3043393.85151139,9727149.92668316,6889769.68617966,7674027.84108967,5585861.76492318,6880974.60012181,3387830.11598979,7351556.7637995,1.11768825503638,0.000731083157763069,0.0058540838364,0.791711244796838]
["POS00024","Asp Ser Asn Pro",34.6802,432.169778447421,6141389.70391637,7681274.42640112,3828586.54370547,6112093.81888216,8687832.05748346,21195272.5682788,18948579.289461,23579271.9455785,18783933.2497429,26037185.7296158,6490235.31007772,21708848.5565354,1.74194051636919,{"v":1.32990363783584e-05,"d":"1.33E-05"},0.000424904212288551,1.58371513611038]
["POS00346","Asn Val Arg Arg",454.777,544.335816075904,2868448.5910743,4725438.83294026,2936952.5777113,4608951.79986056,4317719.6240777,16028667.7204127,14518336.2237253,16765182.6073539,17596374.2930551,22398411.5779024,3891502.28513282,17461394.4844899,2.16576966923977,{"v":1.04489916396607e-05,"d":"1.04E-05"},0.000368018422080333,1.47615542268739]
["NEG00096","adipic acid",36.917,145.04926211776,914517.748955491,1309450.11914951,694540.248046101,974790.466382291,1258082.74366794,2063613.5624433,1824357.91579523,2403842.6591927,3063186.80169923,4003264.94985649,1030276.26524027,2671653.17779739,1.37470149239346,0.00387555937406855,0.021387931311799,0.467764381446837]
["NEG00042","6-Phosphogluconic acid",25.6185,275.016833425907,1099378.6847184,1133714.23910594,670365.40672685,763799.605836787,1419524.09216819,3784354.9798705,3799262.5393612,5088734.85401019,6789475.36059163,7899170.22737488,1017356.40571123,5472199.59224168,2.42729567148897,0.00067314827474655,0.00555424769761579,0.799564989454694]
["NEG00104","5-L-Glutamyl-L-alanine",29.94155,217.082177453085,5923561.39368267,10284817.8726029,6869257.2841436,9113205.24930689,9221394.70781639,22143305.3050079,25050442.2309142,18848251.5716156,25131627.5836568,23464281.3925105,8282447.30151049,22927581.616741,1.46895516455278,{"v":6.56623891331243e-06,"d":"6.57E-06"},0.000285153268536374,1.51864641986671]
["POS00309","3-Hydroxy-1-indanone",176.874,149.059242773256,733022.062443738,348988.195691257,577052.807827049,731810.868956512,868789.622459054,204170514.522229,132247849.87791,154886097.10804,157026384.752982,131396791.977226,651932.711475522,155945527.647677,7.9021033970602,{"v":2.51330629125388e-06,"d":"2.51E-06"},0.00017683256396553,5.12716958665565]
["POS00213","3-Buten-1-amine",39.0546,72.0812561076119,28378823.406992,37476399.2524439,26810141.9086813,42487387.1148108,37951106.0866136,93367504.6253407,89813725.9401335,90765307.4003311,81293270.167658,86927197.3546231,34620771.5539083,88433401.0976173,1.3529534984615,{"v":4.37869210485154e-07,"d":"4.38E-07"},{"v":5.93511811666695e-05,"d":"5.94E-05"},3.01258498052009]
["POS00179","3,4-Dihydro-4-[(5-methyl-2-furanyl)methylene]-2H-pyrrole",291.1125,162.090763630832,220769433.357523,272557108.879099,164079093.467874,226850416.701028,301056061.071613,79752664.408644,63787414.2060426,84003817.700603,87434155.6166025,114734122.84426,237062422.695427,85942434.9552304,-1.46382443825283,0.000300762339961555,0.00313592062155719,4.76569759492147]
["POS00119","2-methyl-3-Pyrimidin-2-yl-Propionic Acid",177.139,167.082925483117,7237671.79410377,8324746.74943304,6043559.72268718,9815258.50632061,9382282.96351867,103201467.045668,67100608.7526486,78387500.6734145,76886159.0356603,44623791.9685657,8160703.94721265,74039905.4951914,3.18153754333246,0.00011920488480059,0.00174820803184603,3.28637868732157]
["NEG00046","2-Isopropylmalic acid",37.5957,175.059997935492,7845870.03039576,12007091.9685784,8111059.7995376,11969924.3819415,14167615.7034035,24984824.1551438,20586325.5682989,25485873.2198024,23273753.5936593,23068253.4753313,10820312.3767714,23479806.0024471,1.11767833887751,{"v":2.96402719815161e-05,"d":"2.96E-05"},0.000671036930137401,1.43908567835755]
["NEG00112","2-Hydroxycinnamic acid, predominantly trans",203.291,163.038776374375,1006465.62248711,964645.033458985,947708.554323167,1229688.21438543,673385.635665005,26059627.2327842,12214646.8288047,15313636.3617849,14971331.0858953,9007389.00269688,964378.612063939,15513326.1023932,4.00776457205659,0.000969246742998905,0.00716760511046087,1.51902417681329]
["POS00053","1-Naphthylamine",291.112,144.080303401994,101876652.136926,125800528.168124,75103027.2363814,104207917.599466,138591505.534418,36110492.2543433,29038891.496919,38565483.7285672,39972529.6612877,53119923.4781187,109115926.135063,39361464.1238472,-1.47100589662302,0.000317361610530961,0.00325586808235089,3.23512039984768]
["POS00211","1-Linoleoylglycerophosphocholine",434.995,520.338363371848,970542.554022982,1998113.08688949,912809.695775599,1764138.00562655,1610652.92008059,3445390.14329953,3183095.88783777,3230922.39588075,3309112.06695841,4682741.06561462,1451251.25247904,3570252.31191822,1.29872872181349,0.000338920737738763,0.0034067246290011,0.567830618357484]
["POS00188","(R)-2-Hydroxysterculic acid",412.522,311.256815839087,1667508.70023707,1987271.61348577,1140741.33336274,2028727.06711876,2010188.05338539,3349093.12076197,3441447.48563924,3399969.16604748,4576523.69911001,5558333.79060962,1766887.35351795,4065073.45243366,1.2020713558536,0.00120558098299924,0.0083735461753969,0.569801605815904]
["POS00168","(5-Phenyl-1,2,4-triazol-3-yl)urea",36.88605,204.088441790346,7517165.88776848,28472319.814318,29216028.5947622,17932160.9960221,16101963.1605645,54550303.6225092,47686313.4935986,64954525.402037,38762860.5164647,44468453.0064635,19847927.6906871,50084491.2082146,1.33537555396099,0.00108469040687013,0.00781291495962979,2.12510724698431]
["POS05986","Zolmitriptan",421.44,288.167969643671,284673.272343469,272369.495942662,221963.365712419,307657.434634497,355235.952817512,282930.429917056,107802.976861781,108648.414143868,43171.892699142,80821.1407239496,288379.904290112,124674.970869159,-1.20979876818513,0.00804162881727455,0.0375443934761886,0.137964031216573]
["NEG05162","Zalcitabine",181.3345,210.084353960492,0,1304.47663048518,2355.34648947568,0,1020.1873353115,16330.8317556358,15356.0961255756,25793.6584252214,26847.3668559229,35250.8938115017,936.002091054472,23915.7693947715,4.67530664198836,0.000261232893352923,0.00285695533488417,0.0585019155840802]
["NEG02135","VPGPR Enterostatin",531.761,523.30963677878,652056.652416808,684779.185822898,665350.547827089,663503.275482121,674643.813861268,291805.225531854,173241.721375716,177674.959555367,354729.883892645,400283.006441099,668066.695082037,279546.959359336,-1.25690148560404,{"v":3.03731869634137e-05,"d":"3.04E-05"},0.000682709875815827,0.250951717235033]
["NEG04834","Violacein",223.474,342.087471491904,114876.927111864,151162.522896568,115230.459682437,111406.034081473,121172.806926401,578053.306208566,414668.175045295,531616.012263825,459580.90541922,533248.085145038,122769.750139749,503433.296816389,2.03584550719449,{"v":1.43283153622523e-06,"d":"1.43E-06"},0.000116912810612311,0.254323677399166]
["NEG06277","Vinclozolin",30.7147,283.994162099119,620803.974994452,786726.23845163,420940.334044481,637489.541547338,801465.501002148,1612094.1090253,1679614.97557352,2248448.19163502,1926033.85898241,2638900.37723715,653485.11800801,2021018.30249068,1.62885610030336,0.00014532126364693,0.00196890561646915,0.460520201754317]
["NEG06096","Vincamine",32.26515,353.192449922053,13866588.1812986,840816.24092331,26757474.1908762,24191761.8795901,654451.065438638,40398097.4795554,37651244.3541099,46225739.8423945,38299310.8756351,41722272.6183533,13262218.3116254,40859333.0340096,1.62334354573084,0.00135980856305223,0.0092578747374926,1.99598991880759]
["NEG04363","Vilazodone",332.302,440.2051879796,24452.4891867818,33758.0134643656,10893.8199317045,26751.0218395582,34714.3017124528,50044.5324698035,62472.7400389416,63687.2727197943,58486.7934920594,108458.838482498,26113.9292269726,68630.0354406194,1.39402055089578,0.00501591798256931,0.0262086905255674,0.0751239086006587]
["POS03544","Vermelone",533.138,179.069594633914,614221.464887509,997679.290189834,1250951.59459845,975866.310748809,1158754.95001533,3859054.0040565,2878363.31117236,2906305.53242248,2274129.10173902,2639703.81766313,999494.722087986,2911511.1534107,1.54249729162057,0.000148823239789416,0.00197533042011293,0.553970407844598]
["NEG03335","Verapamil",446.921,453.281538008687,218107.298161611,307524.543842927,216560.580075304,297922.188061916,372175.687297211,682162.435546087,422531.610127095,580137.316273907,565105.393365671,717066.686445739,282458.059487794,593400.6883517,1.07096993411201,0.000794666265829426,0.00622511770062175,0.218492392037943]
["NEG01658","Veatchine",561.949,342.243476868503,207442.275690531,243139.458673586,186071.916819818,195473.217008882,191800.397560689,0,0,0,0,0,204785.453150701,1,-17.6437537121736,{"v":3.97376729723941e-08,"d":"3.97E-08"},{"v":1.36728162465784e-05,"d":"1.37E-05"},0.183814427113018]
["NEG05306","Vat Yellow 4",166.21,331.072334581918,0,0,0,0,1260.6465835222,482424.299690985,292226.626125549,629185.829440172,223757.467120861,418869.97385763,252.12931670444,409292.839247039,10.6647538316758,0.000439004922519101,0.00401568306426981,0.257267991738857]
["NEG05992","Vardenafil",34.2519,487.213820726691,528406.410750547,350179.900280873,311749.664802379,558749.086282744,282976.559375566,1618786.74356619,1289787.30115535,739888.439556453,1467314.62291554,940287.525419389,406412.324298422,1211212.92652258,1.57543645044388,0.00164279193512395,0.0108061887144256,0.34451659589369]
["POS06539","Valclavam",185.644,330.164648828069,15617.7665763279,74946.289350499,39296.5044594778,131049.191359341,73636.3652422149,250366.132863786,165487.785545345,276547.7738114,179204.737935927,157779.21737621,66909.2233975721,205877.129506534,1.62150656829898,0.0020565746782948,0.0129019053801019,0.145888173055507]
["NEG04302","Urdamycin G",343.586,713.265084051247,5714.09018171765,24219.0693654598,9129.52626626018,22799.9414828926,22849.6034457959,54497.7960377019,40681.4626391072,51735.3094488715,56834.7651602155,62620.9163532523,16942.4461484252,53274.0499278297,1.65279077382837,0.000138514851577821,0.00191819483315045,0.0753164072740112]
["NEG05710","Ulifloxacin",37.6782,348.079294555862,778158.445824208,1057582.93960287,1207323.64160706,709669.672107115,1070530.6464083,576741.447220763,327880.345882608,538031.976456437,159571.997587205,207536.63748687,964653.069109911,361952.480926777,-1.41420987528144,0.00144032743598022,0.00970268768243907,0.294185979121459]
["POS07049","Tylactone",447.546,395.279293654936,78701.5322668742,80656.895702878,12128.9596382856,28510.2043484264,62290.8998306624,147270.068538,120283.866090174,146515.408928541,196115.927219382,238161.344983991,52457.6983574253,169669.323152018,1.69349932962127,0.00162138251456431,0.0107133252255567,0.130474955623235]
["POS03751","Tungsten",122.602,184.960281541566,64643685.3427986,67669467.5783412,61702484.9706837,54295140.308458,55228126.1827518,15111401.524275,41698070.3882307,23982768.2588914,10696156.546982,48182940.7243731,60707780.8766067,27934267.4885504,-1.11984544815971,0.00296086617013472,0.0171529444074482,2.17498710204213]
["POS05534","Tulobuterol hydrochloride",189.156,264.093176046328,14512.5562930465,21581.5033252998,10799.6927934926,6223.56331478505,10405.9226904242,543561.82603851,516683.759820743,540359.573899535,545339.212566364,606300.914509483,12704.6476834096,550449.057366927,5.43718077905455,{"v":4.26079445199148e-10,"d":"4.26E-10"},{"v":5.87207650981617e-07,"d":"5.87E-07"},0.300546640929191]
["NEG00501","Tris(2-chloroethyl)phosphate",675.303,282.947906489257,4651542.42730709,6614198.08490826,3889554.06188225,4720912.81899962,8280589.65120491,10167355.8956591,9332207.69489919,10389462.885458,13410599.654083,14657716.3153079,5631359.40886043,11591468.4890814,1.04150821300789,0.00183831897809547,0.0117636635036066,0.906989180583951]
["NEG05764","Trifluoperazine",37.1108,406.159536231516,44314.9956885858,355127.795588216,291201.621523753,229458.516766496,202274.308437223,722356.637444822,601545.84635327,925506.174761173,531529.695890216,537768.281255821,224475.447600855,663741.32714106,1.56406344861157,0.00126261443458461,0.00872901756707413,0.257248614252912]
["NEG05997","Tributyltin oxide",34.23235,597.223292520647,13762.2843504904,280662.486623871,134402.544400397,269421.238205343,136788.867095878,418590.938456868,465495.72243774,297431.088140405,434373.721291217,340600.281135569,167007.484135196,391298.35029236,1.22835627198238,0.00497110663974826,0.0260983098586783,0.171080577590856]
["NEG05261","Triadimenol",166.732,294.105281577428,2517.43540034542,0,1499.11858564166,0,0,47081.710869835,36087.8812743964,70860.9995771409,22048.9597030757,93353.6303871529,803.310797197416,53886.6363623202,6.06782545765845,0.00308617058130506,0.0176753406020199,0.0874164237940615]
["POS05805","Treosulfan",220.075,279.017869839587,26304.9087487777,0,9106.65988334559,5783.07789501742,0,95774.154996917,23073.7808939429,74885.1348644333,57631.2779329015,55259.4331409632,8238.92930542814,61324.7563658316,2.89594082870263,0.00343847047969663,0.019297714498975,0.0908301502070984]
["POS06042","trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene",454.784,291.139270932191,179301.658287131,399475.289176393,178993.014227275,561880.72529179,267457.555838844,903482.616456094,1080846.83407032,1368811.44402945,1319530.03450064,1475678.03244868,317421.648564287,1229669.79230104,1.95379852513185,{"v":9.51791300847179e-05,"d":"9.52E-05"},0.00150436837056164,0.375333431582907]
["NEG05679","Tos-Lys-CH2Cl",38.80645,331.093397200528,23433.4387571649,82343.7838799037,56114.551244019,51620.8070761334,42950.8043711618,86215.9827410088,87263.5164182842,127531.106046059,110904.434066724,129894.363065294,51292.6770656766,108361.880467474,1.07903255932181,0.00279950499379495,0.0163980602379256,0.0881483621060938]
["NEG04782","Toluene",242.974,91.0537388101884,85833.2396209154,252484.945772537,198580.637795901,347921.598627588,204350.263602861,3854847.78271578,1986024.82925876,2433147.23304332,2471055.46646192,1541642.52302109,217834.13708396,2457343.56690017,3.49579761475277,0.000436801422290606,0.00401568306426981,0.60002204901755]
["NEG04712","Tiocarbazil",265.075,278.160580880347,39906.388668441,74559.6793026437,78231.5338535136,67411.3013983578,72880.5948141254,34482.2503122163,31979.8754683605,32760.0939351016,26950.539411294,10925.0755457836,66597.8996074163,27419.5669345512,-1.28027089236165,0.00132569939751091,0.00906705413618702,0.0768642362390362]
["NEG05083","Ticlopidine",191.982,262.044086253522,157701.49683425,180586.554357373,193940.801730262,242139.75294845,172467.993606148,3258583.18342048,2152641.58770224,1928842.34714634,2943143.47998459,1411010.29989328,189367.319895297,2338844.17962939,3.62653646449248,0.000216466561676923,0.00254012271946888,0.58218632919944]
["POS07258","Tianeptine",47.3118,437.132272204731,870327.353972835,1043933.13503455,520831.992129659,518956.590613124,1274982.38544824,3550425.98382123,2589116.7065302,3219780.18856129,3150864.47853931,4015632.19199524,845806.291439682,3305163.90988945,1.96632262287512,{"v":2.10013012799934e-05,"d":"2.10E-05"},0.000555633032512397,0.634462628918168]
["NEG05820","Thiophate-methyl",36.66015,341.038801076925,6152.23562762181,44544.2884453856,24993.6056920606,47446.5788006849,45938.2809475567,144364.857506687,96240.6797533384,67393.6259457079,141770.329586582,89571.3400015718,33814.9979026619,107868.166558777,1.67353399827164,0.00255056798304071,0.0153548998494497,0.101731637176809]
["POS06073","Thioperamide",454.783,293.178291823856,653402.836812999,1350129.9643673,636223.075215237,1058094.04283869,851963.463321598,3132489.55839327,3025471.7016591,3267418.57262307,3238983.00604898,3925424.24660364,909962.676511165,3317957.41706561,1.86641609341863,{"v":2.72280716570223e-06,"d":"2.72E-06"},0.000181410245777324,0.628238965839043]
["NEG05556","Thiomorpholine 3-carboxylate",47.0253,146.026616099646,1447599.72993773,1560555.83085087,1632827.05200246,1671382.13441434,1606227.91496174,198949.801124916,228693.273298933,191604.868632579,237965.6934105,217369.845483907,1583718.53243343,214916.696390167,-2.88146648220488,{"v":5.25113034635919e-10,"d":"5.25E-10"},{"v":5.87207650981617e-07,"d":"5.87E-07"},0.482156155270624]
["NEG06604","Thiazafluron",26.3944,239.022436752866,194456.069123376,253712.268400079,191734.225313688,269010.329156783,230002.118328675,1231007.82591201,1382584.31071778,1428537.2317331,1537166.61701444,2095686.97119732,227783.00206452,1534996.59131493,2.75250345447501,{"v":2.27389628422048e-05,"d":"2.27E-05"},0.000581207890246755,0.452325778058945]
["NEG05280","Thenylchlor",166.3505,322.060484497228,150753.970777465,226700.620017393,134540.642270755,304553.764852737,340637.33337386,24596825.0820578,18123710.8125522,17918604.8907662,20541324.137808,19380356.2374295,231437.266258442,20112164.2321227,6.44130333812977,{"v":1.98794357651414e-07,"d":"1.99E-07"},{"v":3.70502984072823e-05,"d":"3.71E-05"},1.83184208631515]
["POS04065","Tetranitromethane",73.6348,196.976385973643,576123.079691133,944677.966165145,807800.014711202,697332.261101093,515534.536080077,346476.582646687,131142.211599229,358421.775690273,176405.689337193,159349.671642085,708293.57154973,234359.186183093,-1.59562610321198,0.000854050790682718,0.00657516211140068,0.259883123502975]
["NEG05751","Tetrahydropteridine",37.19845,135.064798153966,19929.7191975233,31591.795229556,8261.65740916904,18899.2110417728,29844.9987823689,102836.066858616,66152.2840621497,120391.974964871,42854.7932192373,81539.903352459,21705.476332078,82755.0044914666,1.93078747625359,0.00264086815949958,0.0157501377032555,0.0975865833456195]
["NEG05775","Tetrahydroharmine",36.9758,215.114112661831,123293.73477268,283398.058462175,246961.607069749,145841.378074521,169666.655942017,1072238.66802752,820572.916480118,1010320.0577476,904344.996134705,899398.331475144,193832.286864228,941374.993973017,2.2799606286724,{"v":7.16318878792322e-07,"d":"7.16E-07"},{"v":7.28203260190467e-05,"d":"7.28E-05"},0.354725990900406]
["POS07190","Tetracenomycin A2",177.314,423.107688148715,32983.1811118094,89714.0560758966,128561.165256264,109692.184108754,147916.229892194,0,0,0,0,0,101773.363288984,1,-16.6350004947961,0.000865989685182927,0.00659384084748124,0.127031110168433]
["POS07573","Terpendole C",453.716,520.30395546211,7982.0540330976,128153.668613218,30388.7044346179,97312.9222571883,58758.1626555222,685670.869418518,583925.65044274,686641.577398664,748787.964459602,1053044.24334493,64519.1023987288,751614.061012891,3.54219378388323,{"v":3.34865028500138e-05,"d":"3.35E-05"},0.000716675249990966,0.329592448799763]
["POS07008","Terazosin",29.0347,388.188978302425,165055.781663403,374058.109419639,289162.717496964,201575.258925103,327925.84776099,412511.561286301,602400.854131491,750113.73234517,630466.071287243,573386.883198557,271555.54305322,593775.820449752,1.12867103337133,0.00132082513354654,0.00906142764164676,0.210780871601232]
["NEG06494","Tenoxicam",28.0783,336.015766147146,22796.9064975941,10806.5875931299,0,0,0,409741.053687044,515447.941714029,441298.30114388,409229.756487187,551520.326328217,6720.6988181448,465447.475872071,6.11386331142047,{"v":2.76141160274586e-07,"d":"2.76E-07"},{"v":4.62514799469086e-05,"d":"4.63E-05"},0.274290510958631]
["NEG03568","Temoporfin",419.315,679.24393453652,0,13067.4019077055,5447.32269880498,10611.3809810871,4509.621494376,57568.8160260416,42781.4030702745,50899.7538543801,70420.5241983934,74552.4210214736,6727.14541639472,59244.5836341126,3.13861691392061,{"v":3.48675490725929e-05,"d":"3.49E-05"},0.000742376524951196,0.0908953923402177]
["NEG04617","Taxifolin",277.587,303.050734013785,89046.1064763594,130035.393575117,77011.2541060346,82673.1404317283,74352.2215176421,897450.854129815,445510.102418596,986929.215683456,450836.210355025,599920.916100911,90623.6232213763,676129.459737561,2.89934043091995,0.000862485591660875,0.00659384084748124,0.307744436432125]
["NEG04210","Taurodeoxycholate",362.854,498.283551019356,410321.675556473,481143.95039376,230787.747150336,435220.249506165,437681.375447585,1013870.18515227,1046200.7750896,1015506.46863297,1166798.79194549,1703684.39340072,399030.999610864,1189212.12284421,1.57543334039799,0.000455072504652892,0.00412052492573357,0.342859671870958]
["NEG05856","Tabtoxin",36.36055,288.119949719821,345969.016797758,634378.28634165,481018.812341006,406799.824013975,509827.75023508,1476044.85881308,1070447.47177658,1640297.84111349,1084727.88437996,1224707.4158734,475598.737945894,1299245.0943913,1.44985681992837,0.000147870771845925,0.00197162721797708,0.366918714005172]
["NEG05633","Suprofen S-oxide",44.2388,275.044720235986,19415.3504214602,22758.6630213558,18141.0412487182,27930.4942975987,16521.1981404727,81336.8359463337,66163.5559978948,77109.3146085536,68056.3697185283,103753.142110054,20953.3494259211,79283.8436762729,1.91984602655978,{"v":3.34651881189392e-05,"d":"3.35E-05"},0.000716675249990966,0.0972712321307003]
["POS07694","Sulforhodamine B",43.69455,559.154376707874,9122.67170784795,58260.2935299101,44100.2375197954,44005.5727264237,50758.5049089047,213131.896243671,382287.085148486,421497.443704661,224633.957534761,162645.446727299,41249.4560785764,280839.165871776,2.76729714713149,0.00165605883500661,0.0108341675251253,0.185606223982595]
["NEG06300","Sulfamethoxazole",30.4934,252.045988652751,409800.21507952,490690.6722893,385375.930028549,469407.602921917,476310.100922086,1250364.25538895,1222258.98821823,1410298.69872994,1293005.20901339,1386174.0436852,446316.904248274,1312420.23900714,1.55608939233529,{"v":3.40200254741313e-08,"d":"3.40E-08"},{"v":1.36728162465784e-05,"d":"1.37E-05"},0.381375348865381]
["NEG05287","Sulfadiazine",166.2585,249.04870603599,4811.40071849381,6567.9003518208,1159.65565268909,5975.78671784472,1867.48171158253,4182204.30947755,4225402.86197711,4619625.50497834,4115276.01877015,2322401.01955183,4076.44503048619,3892981.942951,9.89934837674234,{"v":1.09443479300322e-05,"d":"1.09E-05"},0.000370864153719956,0.799558909967613]
["NEG05317","Succinylproline",165.985,214.071296205257,0,4644.28392702839,2194.76249144836,4376.97015816129,9587.80862353252,2064441.09607414,2658153.70803851,1304241.77298383,3337124.93548248,2321632.54448144,4160.76504003411,2337118.81141208,9.13366654135309,0.000116771218261491,0.0017352746155603,0.587377848593341]
["POS01094","Styrene",382.5715,105.069853338372,1195077.746664,1813579.56919596,1467148.49436244,1460481.51845153,1279116.78980514,2871298.49233405,3057715.32800099,3505957.38629699,3239158.81047345,3234612.06978654,1443080.82369581,3181748.4173784,1.14066766129637,{"v":2.77928516926605e-06,"d":"2.78E-06"},0.000181410245777324,0.531612037357484]
["POS07230","Stypandrol",28.9846,431.149037434949,15608.6456410176,274378.225077569,264130.998114911,172021.158262962,57584.9202781788,425670.249591345,458159.525884071,623980.853997795,416371.823173016,349033.469262743,156744.789474928,454643.184381794,1.53631723974686,0.00273681107604771,0.016214246282333,0.204015167288145]
["NEG05922","Strictosamide",34.77795,497.181412380628,1189055.30303504,2439242.60406828,2012564.38955349,2565899.93156814,1840536.27799897,3866496.98707444,4046860.52226894,3703736.47229561,5066059.68353546,4678205.88780066,2009459.70124478,4272271.91059502,1.08819582577163,0.000217621650074817,0.00254012271946888,0.574799559566801]
["POS05560","Streptozocin",258.237,266.101382203449,0,5762.26970647144,0,0,11342.5541999284,225061.758459492,150239.056284408,195259.350414123,240051.946358668,318929.990179631,3420.96478127997,225908.420339264,6.04519098374536,{"v":4.52459609132394e-05,"d":"4.52E-05"},0.000918988344502624,0.187560893742833]
["NEG05988","Steroid O-sulfate",34.26845,335.128942509709,188883.830897793,400708.670211594,344293.986690564,673575.709705893,328614.072749858,1435235.42168322,1221329.49686589,1135817.72934693,1453619.5174471,1173678.09728616,387215.25405114,1283936.05252586,1.72936565693436,{"v":2.54439941549286e-05,"d":"2.54E-05"},0.00061898456439725,0.37884954869023]
["NEG05290","Sterigmatocystin",166.2455,323.063994939889,1427.44343989595,0,0,774.706558227551,1672.2364381386,3661044.58378976,1964558.95381145,2350699.62624718,3072803.31391526,1857385.58847891,774.87728725242,2581298.41324851,11.7018414572701,{"v":6.9001868368471e-05,"d":"6.90E-05"},0.00119298258301898,0.649210956389781]
["NEG02090","Stellettamide A",535.5035,400.351046927109,498973.380366692,921138.445988057,572515.719582108,650438.355391375,829201.97789291,4405545.11887547,2863338.47264689,2670676.54944687,2963478.44386423,4059337.61714492,694453.575844228,3392475.24039568,2.28838812781683,{"v":6.85569841566131e-05,"d":"6.86E-05"},0.00119298258301898,0.660736417892556]
["NEG03208","Stearyl monoglyceridyl citrate",454.0395,581.365143884348,6980400.49340618,11753966.0653115,6462170.51121033,10602536.3694536,10467104.7785633,32699820.7990855,29877481.3033972,32477470.8952268,36133458.6839893,48038053.3397387,9253235.64358898,35845257.0042875,1.95375239988381,{"v":4.89400444419822e-05,"d":"4.89E-05"},0.000960126398197309,2.04159719937535]
["NEG03199","Stearoylglycerone phosphate",454.128,435.251275858279,361174.193933281,674176.562880803,475319.880138371,635943.977959445,618482.903010001,1956250.40647398,1627268.4991824,1791335.10295919,1953529.33649364,2201127.47743874,553019.50358438,1905902.16450959,1.78507179678797,{"v":2.0552274011135e-06,"d":"2.06E-06"},0.000150705445330831,0.470781366131444]
["POS07120","S-Succinylglutathione",88.4861,408.105641997183,95946.1516222759,147033.822392456,156574.217282557,377348.72511104,146601.973508985,884575.098985955,1065013.17695823,1319129.76760931,927116.503421502,961030.388049028,184700.977983463,1031372.98700481,2.48130275463245,{"v":1.59568974423359e-05,"d":"1.60E-05"},0.000475834681730456,0.370650122824362]
["NEG04254","S-Succinyldihydrolipoamide",357.601,306.085061457904,311747.130177242,301763.97352206,270995.580959639,322149.283198781,307077.288845975,4476329.38923122,3875169.4809981,3147508.0304607,4116423.14689408,2921256.81942917,302746.651340739,3707337.37340265,3.61420050102575,{"v":2.75547494330039e-06,"d":"2.76E-06"},0.000181410245777324,0.749662768365882]
["NEG03158","Sorbitan stearate",455.7495,429.319960395619,39853.1166663631,63148.2731769414,37002.648455265,54306.7946489752,50820.0843621868,179133.780049177,137807.368065685,207969.052086914,199188.353570589,224186.348319426,49026.1834619463,189656.980418358,1.95176810998696,{"v":1.8442172543886e-05,"d":"1.84E-05"},0.000518816589866681,0.151243095128977]
["NEG06521","sn-Glycerol 3-phosphate",27.8168,171.005138170299,991441.759167245,1128095.19728903,566644.67630627,864010.647410279,1013220.3761952,2181126.52835439,2241551.68717492,2780555.39700573,1873631.92896176,2251742.16700858,912682.531273605,2265721.54170108,1.31178554053297,{"v":5.54688755068031e-05,"d":"5.55E-05"},0.00103380116725804,0.473737604036307]
["POS04230","Simazine",239.506,202.08548843167,77275.1947334796,86138.9289330107,65500.314454428,73900.5213065225,56907.4722552947,149072.3058945,140701.681070528,133209.944128193,204527.168023327,115013.963079102,71944.4863365471,148505.01243913,1.04555559522749,0.00132996541314929,0.00908234395880427,0.105013020052594]
["NEG05986","Silymarin",34.2779,481.106382975724,122307.306885845,268874.172013238,77438.0270932568,54115.8671084046,535150.44153644,367358.633468489,936205.799622395,1308276.72424388,718081.473447275,854522.663282711,211577.162927437,836889.05881295,1.98385247111083,0.00767195376524851,0.0363139144888429,0.282156523964362]
["NEG06557","Sedoheptulose 7-phosphate",27.4905,289.032712559884,677072.382400768,871042.437883547,586818.64425738,652365.530869395,1027625.47638669,1352267.45958418,1485786.35082463,2059938.50283292,2430292.24824997,3247172.07416031,762984.894359556,2115091.3271304,1.47099355869294,0.00502711305739951,0.0262086905255674,0.416783198368209]
["POS06320","SB 218655",452.359,310.144896765854,245482.131656798,399967.829400611,272873.247945467,441797.32605084,308225.778031584,1051517.9574638,907828.580989002,1014336.81040983,1090694.22456618,1576000.11515324,333669.26261706,1128075.53771641,1.75737297842651,0.000185551387400969,0.00230547598845704,0.348956745883938]
["POS03064","S-Allyl-L-cysteine",46.1007,162.057729252225,187220.18240406,492228.704035032,240447.459417683,501285.669730766,553339.021135648,860432.159038217,987112.798126743,1214680.49397301,1178145.67268836,1176374.719514,394904.207344638,1083349.16866807,1.45592366187963,0.000141880086245601,0.00195196481201393,0.323375528070452]
["NEG03701","Salannin",410.948,595.288436871248,0,1899.81860733555,0,0,0,87213.7562821174,101641.79583608,90058.3409103529,130866.606131955,286858.050424828,379.96372146711,139327.709917067,8.51840482055786,0.00615603603257831,0.030629531895131,0.132779904612378]
["NEG05239","S-Adenosyl-L-homocysteine",170.306,383.114071581772,496346.627051691,655558.535721993,514501.083582559,515553.161694407,538405.461845423,2009543.69177067,1642989.04442344,2510191.38467518,1579682.13320548,2105314.99687444,544072.973979215,1969544.25018984,1.85598975912072,{"v":3.29539733346117e-05,"d":"3.30E-05"},0.000716675249990966,0.486378159525316]
["NEG04988","S-Acetylphosphopantetheine",195.162,399.099250264886,84131.9305366231,152531.238619754,108121.474625043,141393.401981577,189337.983132332,225985.354494933,170115.114243242,327571.263467121,319139.967184734,418019.448273819,135103.205779066,292166.22953277,1.11272752385698,0.00993490729776403,0.0446173095812234,0.140312312097964]
["NEG05680","S,S-Dimethyl-beta-propiothetin",38.7613,133.03138679333,606479.353387589,745790.256847341,459716.105174717,636321.851191785,668086.231075039,2762615.28573374,1663473.83219685,2189643.50798177,1691935.55459743,1347001.40843978,623278.759535294,1930933.91778991,1.63134933820816,0.000838420173063515,0.00653354256814129,0.460094464011189]
["POS06729","S-(Formylmethyl)glutathione",171.5305,350.100463839709,199346.570502818,352098.001319229,187843.941804646,402165.315879834,281892.021906372,0,203459.917402087,99143.8259404104,48532.7685639095,87101.2044843238,284669.17028258,87647.5432781461,-1.69950069887216,0.00634766889838799,0.0313389878393923,0.164091800149297]
["NEG03525","Ruscopine",425.9245,305.195474000083,50704.0420355552,34056.7784977717,29083.3127381448,23723.0408703769,22504.6290115238,182260.535136029,184763.060942757,280027.583020547,193109.721779054,220182.4375568,32014.3606306745,212068.667687037,2.72774038125905,{"v":1.2526510595365e-05,"d":"1.25E-05"},0.000410207916569807,0.172464396722578]
["NEG05848","Reduced riboflavin",36.4374,377.149447111176,12719363.710188,112845.64215507,7963329.76799521,8504215.22766219,10805960.0355701,423271.083661338,423530.689497092,544717.069343937,421500.715284131,579154.392259815,8021142.87671411,478434.790009263,-4.06741360496876,0.00802219219684748,0.0375347967536598,0.989683296060022]
["NEG05259","rciclasine",166.736,306.057649958451,1478775.905135,3011622.60265576,1137560.7507634,2458304.83810776,2690147.6931102,7640061.09667902,9212552.12700501,6010692.09428877,8390034.65691397,7979117.06748716,2155282.35795442,7846491.40847479,1.86417080562405,{"v":2.02821692712258e-05,"d":"2.03E-05"},0.000549831170607229,0.94361193771957]
["POS04718","Radon-222",27.8524,223.023839443132,1451667.2642514,2220242.76119225,1670160.64357348,1816553.96260737,1899381.32993971,4140475.60030741,5225979.36473041,5115123.08236838,6054166.59672641,7181580.87294594,1811601.19231284,5543465.10341571,1.61352266254226,0.000101718387585791,0.00157434722377593,0.746372180513633]
["POS07633","Quassimarin",452.111,537.229877180599,29957.0965524471,98694.909319094,19067.2296875169,111713.071203921,49170.5286071454,329112.90357447,330666.73816134,331784.691748826,450622.605830493,559959.291934261,61720.5670740249,400429.246249878,2.69772412627231,0.000136529705862566,0.00190248403215969,0.226789850743019]
["NEG04515","Pyridoxine phosphate",298.565,248.034999034639,81939.4738792993,82835.672757948,54080.1471138638,113272.093943609,90735.8369204551,6134.69071831353,954.153842346748,5741.32911265334,13997.7005328884,18876.8816310647,84572.644923035,9140.95116745334,-3.20977489939634,{"v":6.73854991875885e-05,"d":"6.74E-05"},0.00117740366353939,0.107860978080431]
["POS00660","Putrescine",25.2399,89.1076078377768,1732680.2478725,2783190.72736791,3427262.708044,1193195.74319582,2343196.63196252,9924541.43904251,5718681.16747302,8500742.79852872,5099550.42037528,3856069.87231693,2295905.21168855,6619917.13954729,1.52775007875397,0.00662012288985586,0.0324268162521135,0.791717952139071]
["POS07670","Puerarin xyloside",176.874,549.153513970657,0,0,0,0,0,16730508.4953622,5977421.68312641,8698209.33151391,7268090.34230124,7034653.13342669,1,9141776.59714609,23.1240431327282,0.00154668552190115,0.0103412919872404,1.20046517195582]
["NEG04305","Pteroic acid",342.514,311.082499600472,25935.2466252434,55548.7658988125,40210.1567128917,49645.6151583465,53487.4311187464,8785.21555971645,11432.3421611976,14876.7591984955,22532.7532863235,24719.1822974242,44965.4431028081,16469.2505006314,-1.44904178458912,0.00186436005625061,0.0118962660935934,0.0657469299586687]
["NEG04159","Pteleatine",370.982,289.134492666064,305989.027914969,367373.157487798,289035.794875185,558479.765799979,357614.022454328,4992.50133770416,5042.83286589385,15682.1276952035,28668.5227681637,14131.7708567761,375698.353706452,13703.5511047483,-4.77695309095319,{"v":6.90772387663574e-05,"d":"6.91E-05"},0.00119298258301898,0.237619209140007]
["NEG05851","Psoralidin",36.3964,335.09164575042,65540.841332278,90037.460227355,76079.3436001737,167068.298056934,166354.909899397,405398.553505329,354922.82123966,250531.928669174,386439.590726705,162082.091646167,113016.170623228,311874.997157407,1.46443868564354,0.00461099347750906,0.0246710213216484,0.165036122696991]
["NEG04291","Psilocybin",349.0955,283.087394601013,153720.722678108,160841.45711358,102025.567105038,345957.931526331,243853.142703885,45049.9050530765,20268.2796239667,41643.9235628237,20134.147887307,25301.1495012502,201279.764225388,30479.4811256848,-2.72329188928135,0.00413400701729186,0.0225780383252094,0.150034923786054]
["POS06586","Pseudaminic acid",230.272,335.141870738838,150006.568014979,174021.482925681,85110.1850865504,127598.514961021,200477.98250352,7486.12423288377,5202.51202458209,15322.9457144012,9594.92593227897,27769.1966666963,147442.94669835,13075.1409141685,-3.49525840916392,0.000158495804601783,0.00206861162844034,0.14278322656737]
["NEG02091","PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",535.5035,832.506251465775,1502038.289547,1335953.99085406,703370.848017832,1553666.56235272,762625.777661136,2414446.5574976,2273211.18754245,2372095.75914574,2207527.43401787,2686498.91978845,1171531.09368655,2390755.97159842,1.0290716339278,0.00029616199944915,0.00310241832209847,0.445740718801181]
["NEG01907","PS(18:0/20:4(5Z,8Z,11Z,14Z))",543.814,810.52152892916,588875.158992938,453928.320986804,342415.930223192,435934.214245182,271454.710628743,894492.247823559,831243.206984704,593633.882722642,858363.992505722,1132053.19319425,418521.667015372,861957.304646175,1.04231409648901,0.00234768193677289,0.0144049126243966,0.252470867616149]
["NEG01976","PS(15:0/18:2(9Z,12Z))",542.1825,744.489867230581,1264758.61840769,1670908.90151779,1359470.38992537,1097901.13301137,824658.177112831,3622970.50981847,2521292.83891355,3353281.00297214,2461265.29687517,2848782.49647891,1243539.44399501,2961518.42901165,1.25188479448119,0.000209046749875315,0.00249813633341596,0.532843428469986]
["NEG01914","PS(15:0/18:0)",543.517,748.518042668352,2084901.90660167,2071208.90463621,2077018.15308101,2340951.01415237,1953245.29110457,2977463.24817225,5285565.79194808,3148027.31813629,6564006.21343572,5349886.86496642,2105465.05391517,4664989.88733175,1.147735023492,0.00624537671994103,0.0309364009615684,0.548875341404422]
["NEG03420","Protoverine",432.199,524.298887584642,838225.378613386,1176031.0225202,584669.749975152,1002160.68332527,1064916.51947531,2514553.4165569,2545069.2077004,2613587.73955847,3186329.08618102,4421831.2172419,933200.670781864,3056274.13344774,1.71151470271251,0.000492675222273874,0.00440337628887975,0.558328779061841]
["NEG03641","Proscillaridin",413.6615,529.289323032987,132794.443106902,246950.506859225,118486.875956293,228738.735429511,235379.745201143,361381.827624454,363429.73989929,347944.364273185,384231.170715225,471909.594014706,192470.061310615,385779.339305372,1.00314182860757,0.000604388457681103,0.00511605673246509,0.168982303212545]
["POS05388","Propyzamide",73.72195,256.029275408013,129197.448762681,526161.247850564,316676.227306635,449393.132986402,544651.063052499,41429.8759178281,83859.0125287468,148840.887267946,109300.965673218,43837.0802630053,393215.823991756,85453.5643301488,-2.20210880639079,0.00485504121340099,0.0257305679473254,0.208521814873433]
["POS06853","Propericiazine",219.714,366.164695001494,0,0,7328.54011799489,12304.0353730424,0,211769.211988846,325673.523842653,237436.475437935,405996.788181328,620192.95672762,3926.51509820746,360213.791235676,6.51946016290861,0.00127858740042103,0.00882580469457291,0.220365550942378]
["POS05434","Procarbazine hydrochloride",413.0625,258.139368118489,324668.143280222,141825.320551137,466396.500092536,239721.364778895,260407.204890218,458132.801941979,536329.959358886,1131911.78423791,850582.069264384,767794.311055717,286603.706718602,748950.185171775,1.38581249562124,0.00782817037627176,0.0368195647666284,0.242839524744808]
["POS07282","Prepacifenol epoxide",27.6074,442.959252759779,128219.005866497,184948.700315319,120611.901398906,176505.26805186,109682.685326041,451238.766620506,490397.507066435,514658.895029572,575611.014008812,624147.920740939,143993.512191725,531210.820693253,1.8832807237913,{"v":3.47655608542927e-06,"d":"3.48E-06"},0.000210143721217907,0.249571674140183]
["NEG05853","Prenyl caffeate",36.3959,247.093051161345,219545.633223559,266286.651126957,265559.004400474,288074.244683551,272319.441342394,599543.375200248,459091.441214819,565286.018364044,564252.155853659,614653.306673252,262356.994955387,560565.259461204,1.09535108179367,{"v":7.81534645802555e-06,"d":"7.82E-06"},0.000303982997449985,0.221337203240466]
["POS03440","Potassium sulfate",29.7475,174.885879438531,391399.485736322,243225.943660796,5751502.19834839,397424.480226089,343175.793801704,13852318.8060632,7312610.13822832,8228678.37677972,8320683.93500793,5171530.10032404,1425345.58035466,8577164.27128064,2.58918900320691,0.00406903352996302,0.0222775850422578,1.00217576674082]
["POS07499","Postin",414.395,497.331016455397,658889.257688108,1174113.11963323,542874.546443496,890384.299437755,1046758.13984635,1572237.29868349,1481585.36037144,1836378.81034688,1856735.30231203,2491432.41778806,862603.872609788,1847673.83790038,1.09894000824054,0.00165811841556334,0.0108341675251253,0.374807522013286]
["NEG06676","Polythiazide",25.3301,437.95894354084,39772.3574794619,32375.5792803085,14781.9134570326,52062.9992295347,48510.2561508486,208106.486350471,126151.587734993,157960.440334973,211393.018863048,290114.707469294,37500.6211194373,198745.248150556,2.40593397090758,0.000493201770786665,0.00440337628887975,0.15632910106478]
["NEG05469","Pivampicillin",81.2716,462.17735468208,85069.4140179683,352803.642073747,202298.813063845,170701.310954816,239690.932687255,671970.973965942,458340.565336275,705242.563439796,407913.302838267,491061.98805999,210112.822559526,546905.878728054,1.38012836173013,0.0018691742542278,0.0119099949275797,0.226728880751426]
["POS06576","Pirimiphos-ethyl",229.964,334.138520441424,1377930.61628655,1506238.4260629,982903.216211118,1279281.01005616,1520275.97264121,367931.15324668,442557.798978907,396100.475970142,583360.757047438,638080.082074562,1333325.84825159,485606.053463546,-1.45717108908526,{"v":6.32654429385152e-05,"d":"6.33E-05"},0.00111852302871138,0.364835323218366]
["NEG02960","Pipereicosalidine",484.082,372.319709510758,182449.605773272,242757.434952842,186432.580569071,210110.966708042,225497.185403816,415597.194113589,368006.329214802,467590.299638788,404815.423709611,450225.678865963,209449.554681409,421246.985108551,1.00806354403193,{"v":7.73123307732778e-06,"d":"7.73E-06"},0.000303982997449985,0.187233999768273]
["NEG03179","Piperazine citrate",454.398,641.295376389066,180179.348807158,235862.172975901,147213.912687443,240831.497877727,229104.304701887,465260.322485725,407799.569567648,495497.280570912,480201.206088137,442402.844640263,206638.247410023,458232.244670537,1.14897166861052,{"v":5.87289143745974e-06,"d":"5.87E-06"},0.000276520456839552,0.20498851405759]
["NEG05833","Piperacillin sodium",36.5832,538.127769589182,55821.9654585932,204919.6888703,45074.7351774382,54523.0552202584,464479.388789347,1314584.4805689,933061.305373526,1346418.14605122,824326.217453492,562790.433071074,164963.766703187,996236.116503642,2.59433853391937,0.0011910497259438,0.00831133451504935,0.359175762198566]
["POS07567","Piperacillin",178.5865,518.171364329507,547531.807748081,525557.980813108,346849.079188695,540876.262338245,638528.878078043,1301478.60613751,1080171.6032199,1157582.09427185,1593770.55290819,744536.56038319,519868.801633234,1175507.88338413,1.17706473034773,0.00209675371645367,0.0131273039397812,0.308688981202452]
["NEG03531","Pimelea factor P2",425.4775,637.343993639761,65012.4822639848,96065.3581515877,51209.0046239632,99474.3799442614,107376.021771351,238641.264711576,185603.92650156,231066.939033118,205700.41451073,217329.750830949,83827.4493510296,215668.459117587,1.36332056418934,{"v":1.62001078989105e-05,"d":"1.62E-05"},0.000479887964449182,0.14849492294054]
["NEG01887","PI(16:0/20:3(5Z,8Z,11Z))",545.131,859.535078232261,57467.4329183389,60442.1907709018,0,90503.4024526882,8940.16296835007,238938.107636844,164208.251530794,195165.234748847,199806.842894797,381983.611219766,43470.6378220558,236020.40960621,2.44079845165595,0.00178367188649857,0.0114796609328174,0.168720062794689]
["NEG01649","PI(16:0/20:0)",564.0405,865.571792231621,5124812.02198999,4847012.25483553,3873518.90341763,4477479.84653428,4300767.5160003,11220043.5905949,8269913.88555246,6592860.78295523,10294931.5094009,11924604.3810613,4524718.10855555,9660470.82991296,1.09426558991553,0.000924664743377638,0.00692801574058321,0.87500782350485]
["NEG03200","Phytolaccoside B",454.128,663.368488409906,61611.9738967118,140563.554760128,73463.3153024276,121737.124420226,125670.747392107,401298.235760575,367898.388405871,376049.775875,426886.503849998,588979.50484742,104609.34315432,432222.481747773,2.04676240367003,{"v":6.63375749046876e-05,"d":"6.63E-05"},0.00116363910803399,0.225562460499988]
["NEG04580","Phosphoagmatine",286.1865,209.081043183078,297038.671464079,261792.406944588,293277.787787204,267895.662540401,273265.402976367,605236.676522822,482353.506541887,642266.097471861,596389.407621636,696123.740566951,278653.986342528,604473.885745031,1.11720522171107,{"v":1.74528011698154e-05,"d":"1.75E-05"},0.000506924543068728,0.230781188899122]
["NEG06058","Phloretin",32.4557,273.079249128759,84419.4260203215,443768.473062071,469014.858087712,324295.747063809,347853.409467174,767070.238858209,713517.363753819,804766.315296057,720429.169524749,1033430.00707533,333870.382740217,807842.618901633,1.27478614025467,0.000757953874018246,0.00603460730785129,0.258953545264715]
["NEG02956","Philanthotoxin 343",484.119,434.311853835542,80354.0765271107,180455.326189682,114890.634228752,127426.52370302,148173.789876566,372309.491009949,309274.607989652,401330.296259369,398988.441368663,469960.210593604,130260.070105026,390372.609444247,1.58345692129162,{"v":2.97038480141304e-05,"d":"2.97E-05"},0.000671036930137401,0.203465003239161]
["NEG04360","Phezocine",333.099,320.207559260565,26817.6069625017,46070.488250131,55438.1997976224,40048.7882707446,47999.2725157027,10946.4771473738,26849.6838531111,13647.449356772,11988.6599858219,10025.1383220649,43274.8711593405,14691.4817330287,-1.55854961575427,0.00104149413885227,0.00755041050743309,0.0676774314317378]
["NEG00161","Phenylpyruvate",708.5455,163.038750028362,1835342.94598968,2132174.63648833,1735365.35349796,2817995.83525822,2188816.4028183,6496007.30560921,3597125.34071553,5286268.04994149,4745135.48385836,3246040.06093253,2141939.0348105,4674115.24821142,1.12577588884717,0.00342288648153411,0.0192343859697262,0.622770454755147]
["POS04354","Phenylethylmalomide",318.122,207.112088753065,1580327.90393544,1678786.76670099,1771840.02523489,1869657.97604284,1741241.57936783,10107430.1226372,7637963.70441927,8345244.59250774,8014072.43431802,6586030.2653585,1728370.8502564,8138148.22384815,2.23528775256976,{"v":3.81532426746106e-06,"d":"3.82E-06"},0.000218794172414786,1.03976755960914]
["NEG05177","Phenylacetaldehyde",179.304,119.04867735745,18408679.9730351,18918204.5558688,18613884.9134942,18582985.8420435,18715134.5975982,339293.71283816,235959.806426807,317263.09162753,328062.270203031,364283.510588421,18647777.976408,316972.47833679,-5.87850234108232,{"v":2.74883609882048e-16,"d":"2.75E-16"},{"v":1.2295543870024e-12,"d":"1.23E-12"},1.75790817109069]
["POS03895","Phensuximide",301.9275,190.085160070239,751402.587232592,1561890.5105779,1383509.43126064,1137739.59567306,1298367.34006742,3871984.69586841,4753783.2755362,4783761.14786559,4444182.57089474,4904174.45707227,1226581.89296232,4551577.22944744,1.89172300108704,{"v":5.32586225034265e-07,"d":"5.33E-07"},{"v":6.20487680556787e-05,"d":"6.20E-05"},0.731616009062702]
["POS06159","Phenethylamine glucuronide",414.62,298.134571380153,26147.3580277316,108317.12915132,24453.3496173266,112609.885456059,99732.6446780344,160252.474364159,140532.956466298,201586.841434448,152986.046056222,243557.142607547,74252.0733860943,179783.092185735,1.27575413122198,0.00508410114332729,0.0262600281918048,0.120721166121856]
["NEG05700","Phecemide",37.7829,177.064116393389,71275.7009014036,65543.6854438451,59274.252604159,82054.656701303,80974.4673398737,173947.477520315,129538.214190393,189102.309281727,137609.680125811,186354.77503302,71824.5525981169,163310.491230253,1.18506846784197,0.000122104188912385,0.00177906200978859,0.12252440227504]
["NEG02021","PG(a-13:0/a-17:0)",540.308,693.470917144781,600078.679989252,761092.782973242,334282.228843223,383442.369394798,378551.730531969,1678078.17214553,1470460.87668992,1371805.41574101,1285039.07698242,1604275.24374937,491489.558346497,1481931.75706165,1.59224634101363,{"v":1.73957345224141e-05,"d":"1.74E-05"},0.000506924543068728,0.407345150303856]
["NEG02401","PG(a-13:0/a-15:0)",527.217,665.439898609351,2374104.59251157,2454730.82337541,1597240.72370717,2023776.12179388,1600851.98037597,4362524.37636826,4013813.07556008,4595503.6874076,3842972.11725076,4425107.16226164,2010140.8483528,4247984.08376967,1.07948176770527,{"v":1.0209138422125e-05,"d":"1.02E-05"},0.000362424413985436,0.617723440504086]
["NEG02492","PG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",523.8015,867.523721517599,68077.6609008354,196792.49567737,75035.1869593754,135745.85798291,102050.2048479,532331.630161571,503724.906637291,280460.627067852,322793.26860175,596932.283518818,115540.281273678,447248.543197456,1.95268087113729,0.00102329330334933,0.00746686940600581,0.221124563128076]
["NEG01782","PG(16:0/20:3(5Z,8Z,11Z))",553.792,771.517893329691,643679.029121266,1010070.33799537,887665.66533313,848449.907259671,580149.166214279,3128883.07832754,2174212.10842983,2695331.66524101,2131564.30308471,2453049.21057963,794002.821184743,2516608.07313254,1.66426451565859,{"v":2.59336063978654e-05,"d":"2.59E-05"},0.000623661405471248,0.53779855909105]
["NEG01698","PG(16:0/18:0)",558.267,749.524382666928,7533203.19691913,9396175.23675773,7314261.94910014,8290825.79557489,5669349.41355518,18940157.2071783,15549798.3952848,16464033.9688018,16933634.7528734,17275065.7795537,7640763.11838141,17032538.0207384,1.15650478801186,{"v":3.31341407895575e-06,"d":"3.31E-06"},0.000205845849655126,1.25864431732232]
["NEG05944","Perlolyrine",34.563,263.076719369737,141348.687870639,160330.130561297,163753.23264091,105984.198700479,132046.911361087,640799.426414785,439339.147844384,1037139.19274875,210046.266859894,993548.971902088,140692.632226882,664174.60115398,2.23901577378935,0.0110636411558489,0.0488525833071197,0.267615861433311]
["NEG01647","PE-NMe2(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",564.1495,866.57450765445,917373.077597016,791359.47419569,705653.716059382,827574.840224479,407086.913935201,2406065.95679297,1626603.63509712,1497354.31838644,1922104.44120101,2855711.08210436,729809.604402354,2061567.88671638,1.49814992721603,0.00107784512792689,0.00777613106002737,0.447399492678302]
["NEG02139","PE-NMe2(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",531.523,784.498006883515,238253.768564332,214551.149134406,90600.8039882668,114487.714955038,98099.1740455069,423546.791840069,287316.302486087,255835.384481121,301229.836981078,482678.134288231,151198.52213751,350121.290015317,1.21141075290687,0.00598980514893914,0.0299356407052568,0.169362012095738]
["NEG01217","PE-NMe(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))",600.3675,834.620712173489,59404.4616390859,29306.7354145758,14308.4317520329,24077.7812084483,48807.4344561804,190423.042815828,139400.748449207,197653.320025244,153781.28105767,160738.265101352,35180.9688940647,168399.33148986,2.2590192905094,{"v":1.11593551338196e-05,"d":"1.12E-05"},0.000375306733184776,0.150769188946755]
["POS05349","Penciclovir",43.9415,254.123750037442,955421.319046055,729977.647454445,983869.221100467,1150721.10611943,673361.023334312,1943975.09552751,3465608.36361849,3514488.12707269,3736519.74786689,2423213.91960735,898670.063410942,3016761.05073859,1.74713698031474,0.000383649316236137,0.00372248024191809,0.554284766167193]
["NEG05744","Pelargonidin 3-O-glucoside",37.2959,432.107742767996,66261.2111869799,151050.140887077,31477.1096134306,42179.1083353908,80500.3447012011,194803.128234454,227954.054096113,270238.11584176,158959.797220599,229718.162930963,74293.5829448159,216334.651664778,1.54195525973042,0.000991587442325225,0.00727781146810681,0.147423205257687]
["NEG03012","Peimine",479.8025,430.332187270198,8791.85635867248,13263.8083320226,5526.11913493134,16023.9624683178,15865.1181849598,748504.335642154,698937.25704895,816116.815580618,740539.62267523,811439.910299343,11894.1728957808,763107.588249259,6.00355961528515,{"v":6.9215880693057e-10,"d":"6.92E-10"},{"v":6.19205268680088e-07,"d":"6.19E-07"},0.356183020224653]
["POS07552","Pedilstatin",414.398,513.296058290785,445107.078504111,1054023.1239998,251286.669132077,1008256.50155635,780721.909613321,1996259.00641739,1974388.02875779,2020887.4306792,2259851.63489524,2899908.1538399,707879.056561132,2230258.8509179,1.65563636629106,0.000193519443859999,0.00235861709096942,0.483727731730654]
["NEG00589","PE(DiMe(11,3)/MonoMe(13,5))",674.3395,864.568668459026,14879308.3915749,15326146.9635677,12531258.4092175,12993211.6886829,10911201.4692599,36046447.9433152,29143268.5090275,22965512.5851635,31752465.0393103,43657687.7949426,13328225.3844606,32713076.3743518,1.29538273601162,0.00060513481869814,0.00511605673246509,1.70452278914653]
["NEG01780","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))",553.9565,772.52117194511,253753.740153195,463814.706614228,330793.17589603,279914.816474797,184994.183741457,1486597.28977962,954039.379408682,1348788.14599757,970456.977243072,1067858.30528056,302654.124575941,1165548.0195419,1.94526652607482,{"v":7.67529522696906e-05,"d":"7.68E-05"},0.00128582754869785,0.379934719873372]
["NEG01694","PE(20:3(5Z,8Z,11Z)/P-18:1(11Z))",558.273,750.527413441666,1554594.43723297,1886337.82431235,1435173.25250951,1536272.76879338,1070709.61796082,3479273.48501945,3154838.03918034,3194226.12751944,3130935.06778153,3707939.14302201,1496617.58016181,3333442.37250455,1.1553071593921,{"v":5.32313915657143e-06,"d":"5.32E-06"},0.00025880871138417403,0.553057760272986]
["NEG02973","PE(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",482.679,706.429984180192,50049.8786186101,80112.8171516035,72191.3874400081,67317.1349148416,41073.4815355879,28541.3053768548,7524.08414381962,10278.3692782745,21809.9261040948,8991.18415318786,62148.9399321302,15428.9738112463,-2.01008767285967,0.000500576312955869,0.00442505503527985,0.0833892063861448]
["NEG03172","Paromomycin",454.668,614.275816217274,20187.3208537294,52710.5694850617,18112.2140880233,32566.7650899561,41351.2573292598,58780.3400996913,60386.8530423028,95942.2241903158,60220.7280082769,73080.8020807962,32985.6253692061,69682.1894842766,1.07895249857569,0.00504855509850279,0.0262086905255674,0.0719152847488061]
["NEG05712","Paramethadione",37.657,156.06275509572,31875.6233265656,37896.5294409391,35549.4234578257,41081.3548562734,67348.8130806162,126698.902353871,98285.3407090879,70871.1199780831,90397.1156860991,61438.4113290353,42750.348832444,89538.1780112353,1.06656676943228,0.00708818804863097,0.0341653719197482,0.0797348199570555]
["NEG04562","Pantethine",290.723,553.226086069799,54633.1468040102,69091.068718156,28457.9543457628,51822.3963980915,86140.2490409613,0,0,0,954.144419697835,1685.78262112942,58028.9630613964,527.985408165451,-6.78013128026461,0.000324927441943346,0.00330729370183632,0.0927589368022777]
["NEG05312","Panfuran S",166.16,292.067510901855,0,1300.60805340987,1128.50491142931,0,0,268606.707229485,190214.71658417,226344.957903001,154614.966304033,149083.573173342,485.822592967836,197772.984238806,8.66920006884522,{"v":2.24462846456479e-05,"d":"2.24E-05"},0.000577024317356223,0.182346264204024]
["NEG03650","Palmitoylglycerone phosphate",413.649,407.220028279242,708155.191736745,1539124.64675483,913927.925449506,875400.732739264,1301654.41390674,2497567.58658422,1435473.01972678,1894289.73264866,2881884.6220924,3781294.95888418,1067652.58211742,2498101.98398725,1.22639011019973,0.0108346928368355,0.0479362819576313,0.422280429427319]
["NEG04333","Palmidin A",340.563,509.112430667136,28233.5934423675,36170.9020147893,28503.5497062565,38037.635522742,38995.6766984099,501395.464917087,391233.428372781,424301.728463216,368225.052118049,376567.449031783,33988.271476913,412344.624580583,3.60074170189138,{"v":2.92742922418485e-07,"d":"2.93E-07"},{"v":4.62514799469086e-05,"d":"4.63E-05"},0.254092540223036]
["NEG01219","PA(22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",600.2065,833.618265384437,105594.418342271,102567.689856858,61547.7691353642,69048.4002082127,91689.5606974848,422234.931710902,303011.327392832,423230.031060891,327860.142970168,350931.475615231,86089.5676480381,365453.581750005,2.08577784602151,{"v":5.15054853852989e-06,"d":"5.15E-06"},0.00025880871138417403,0.21878927191423]
["NEG01680","PA(18:0/22:4(7Z,10Z,13Z,16Z))",559.316,751.530373816369,124170.588267931,142355.035567887,98081.8934512274,133151.769337433,58670.2407469062,429614.573912414,314201.440370427,398704.946520702,329208.015476013,391745.987091387,111285.905474277,372694.992674189,1.74372455116304,{"v":9.6468466645647e-06,"d":"9.65E-06"},0.000353691353529491,0.211094841711904]
["NEG02405","PA(14:0/20:4(5Z,8Z,11Z,14Z))",527.213,667.44595909499,175352.363549903,222754.525007231,96699.4690600314,164197.558986212,98901.1549969366,358061.926210357,309174.80828131,317440.154529291,302067.995098103,351432.774106904,151581.014320063,327635.531645193,1.11200275808721,0.000166802354111671,0.00214359221739888,0.170511902418275]
["NEG05305","Oxolinic acid",166.211,260.059121176448,0,0,0,0,0,1154858.9622835,664442.305684669,845702.646130254,653433.704936278,637161.659237026,1,791119.855654345,19.5935367558088,{"v":4.24024205561835e-05,"d":"4.24E-05"},0.000870027647467012,0.364698716162148]
["NEG04561","Oxidized Oplophorus luciferin",290.723,410.152429876937,28917.5718715029,58814.6475567568,17257.6157225806,44342.1922161251,65696.6028612852,0,941.012836703935,0,1303.1908920064,5608.9692691735,43005.7260456501,1570.63459957677,-4.77510927298662,0.00184452566062484,0.0117865189713927,0.076707285741591]
["NEG03521","Oxandrolone",426.0955,305.205487299616,57196.5081308231,50029.3257146938,37353.1479177057,36444.3968798457,28789.7998820113,91018.4982504051,84764.5052106333,104314.549455755,129519.466895181,108061.436048938,41962.6357050159,103535.691172182,1.30295098151382,0.000165055654818595,0.0021337975260219,0.0979000139512043]
["NEG05716","O-Ureidohomoserine",37.5957,176.063361369423,555628.077161209,836827.219381982,584652.925436839,888720.337770721,1027397.28786308,1831727.51207462,1507632.60264437,1822407.19450531,1727619.06164819,1790243.91497956,778645.169522766,1735926.05717041,1.1566675530645,{"v":2.18107536562508e-05,"d":"2.18E-05"},0.000567206401769825,0.395170918593564]
["NEG05631","Osthol",44.3112,243.103937789348,1234421.36448776,1866840.88920676,1313669.88324744,1051487.30060342,1627603.2450287,170904.969886474,93684.4191221349,125320.896267377,102955.157144599,106048.424627797,1418804.53651482,119782.773409676,-3.56618350169636,{"v":2.04702116348985e-05,"d":"2.05E-05"},0.000551217948287428,0.456883477316066]
["NEG05483","Osaterone acetate",70.88775,405.155884265178,695559.218905625,2979181.39466366,2333565.54033015,1748050.77805935,1512406.53174054,5596455.47106644,4112310.27086398,6585679.63049054,3507143.57653029,4168506.84800274,1853752.69273987,4794019.1593908,1.37078688643368,0.00260011324444119,0.0155693528010514,0.661769462603398]
["NEG03387","Ophiobolin A",438.877,399.249752432002,149637.379528621,155552.023365959,129940.081943194,153986.551228764,152075.691431323,36010.3092050763,58627.1466353842,21912.5949426699,51752.5246621604,68277.9578017122,148238.345499572,47316.1066494006,-1.64751541133227,{"v":5.31895532001996e-06,"d":"5.32E-06"},0.00025880871138417403,0.129268246463236]
["POS05968","Olprinone hydrochloride",29.01155,287.069026181559,154724.52504447,333012.64366798,313251.286604315,339982.704492736,191600.646137282,821812.092244869,521887.365690274,749830.681385065,652434.732622437,617188.910715711,266514.361189357,672630.756531671,1.33560147361282,0.000246584729714759,0.00278528660609626,0.25516539513201]
["NEG04736","Olanzapine",256.763,311.139969945731,4893.49362957497,5895.5123433293,4631.67868529503,5871.98909320139,2113.74174834264,253044.602817434,156458.917508922,175201.344422941,183644.694485543,132971.689184093,4681.28309994867,180264.249683787,5.26706548267832,{"v":2.3766624932251498e-05,"d":"2.38E-05"},0.000598828787496594,0.171238091768251]
["NEG05566","N-Succinyl-2-L-amino-6-oxoheptanedioate",46.0786,288.07628168712,81869.4894020976,110652.862369132,83006.3801098629,137810.755129919,117216.690160008,195658.462011336,168253.544714558,225494.914503231,228492.629754721,344255.87289899,106111.235434204,232431.084776567,1.13122560221304,0.00415362553267028,0.0226501828414637,0.130529871637089]
["NEG06667","N'-Phosphoguanidinoethyl methyl phosphate",25.3814,276.020029295789,32962.9360601172,70717.8051460818,23504.3516985037,47808.0749465688,88929.0423829543,175344.430763233,214774.883159986,322728.690789759,446559.342465147,467412.973867215,52784.4420468452,325364.064209068,2.62387024698777,0.00193218022258076,0.0122243877448426,0.19188640687479]
["NEG02774","N-Palmitoyl phenylalanine",503.674,402.297039405829,174313.517128568,195286.973253094,186228.405404448,243108.053630909,158514.168121436,524876.40291865,526091.304660033,508075.344963357,581584.110170279,734299.802669203,191490.223507691,574985.393076304,1.58625456876644,{"v":2.38299852837902e-05,"d":"2.38E-05"},0.000598828787496594,0.245587766796371]
["POS07274","Norverapamil",363.3245,441.279155884065,369224.781167361,307987.122213319,96534.6078724843,271862.192527892,295631.997032335,833874.364352194,864166.742283436,919267.85690048,1070081.84314026,1507832.42618087,268248.140162678,1039044.64657145,1.95361757301368,0.000392202913432274,0.00377273899308078,0.340339619059743]
["NEG06062","Northiemycin",32.43015,257.065416869668,827245.108021358,1463035.78925313,1181112.48565505,1210494.39511454,870934.728285733,2532343.28274574,1957532.44340517,2750113.19110339,1869321.71775792,2320676.2265734,1110564.50126596,2285997.37231712,1.04153055859007,0.000428853356010695,0.00399637721132466,0.433108504509278]
["POS05476","Norsanguinine",363.325,260.128037005873,440003.629890362,399276.849170254,330383.571624,306606.858089874,357480.44534791,766087.342180978,902885.8582292,733027.877819463,939147.561001147,1407271.71344329,366750.27082448,949684.070534816,1.37264962358722,0.00148313509173365,0.00996105595394087,0.284439467295571]
["NEG05237","Nocardicin G",170.8105,384.117592173552,14352.6993701237,61708.8051759948,14857.4466230174,45763.1520797968,43970.1657300957,269800.172722133,154477.2107179,310871.047235605,120826.383306515,273709.757873339,36130.4537958057,225936.914371098,2.64463272246145,0.00110950319706317,0.00794049248074172,0.173025774780111]
["NEG03908","Niguldipine",403.441,608.264431404327,21622.2150398958,78738.2338898917,41309.4915523957,63457.6440235039,60169.7667374673,171874.14548145,162308.010169372,182370.828676567,219863.314277038,254189.487298165,53059.4702486309,198121.157180518,1.90070077583135,{"v":7.95754226755846e-05,"d":"7.96E-05"},0.00131829950232552,0.148992627503649]
["NEG03657","Nicofetamide",413.377,301.134369395141,39262.2920500658,70630.9515665592,43498.4812327804,61326.2600065847,80194.9507256194,2484.01739997447,1635.61785110021,0,0,0,58982.5871163219,823.927050214936,-6.16162868549466,{"v":7.40065282593391e-05,"d":"7.40E-05"},0.00126347786604589,0.0960006817012909]
["POS07454","Nicergoline",180.665,484.122928924224,299600.668991602,593499.874782606,291247.252229919,364643.946881237,852618.717332827,1619350.27960364,1470499.94430104,1758223.53529534,1178758.45292651,1325683.67205359,480322.092043638,1470503.17683602,1.6142358301303,0.000161822611209679,0.00209806533316201,0.398258955833643]
["POS02142","N-Hydroxy-L-valine",36.8431,134.080784521648,337130.350762479,512390.729415591,312803.747830648,382620.031667327,336478.569000688,620197.182874517,1107823.79445755,826045.379295181,1051503.1384073,1185478.83117941,376284.685735347,958209.665242792,1.34851679076618,0.00071937244604817,0.0058082183234178,0.283786851508742]
["POS05085","N-Hydroxy-2-acetamidofluorene",454.781,240.098669629238,990805.015017949,1531678.84955147,639740.764808352,1494396.5591869,1468456.01985128,3377070.45264345,3077571.91990885,3442602.05733857,3492718.68035186,4201910.27096788,1225015.44168319,3518374.67624212,1.5221091904987,{"v":1.91965024496011e-05,"d":"1.92E-05"},0.000531659725054405,0.609803355492274]
["POS07527","Neuromedin N (1-4)",414.3975,505.307279988592,48552.275524309,143045.572286503,0,126443.761455444,124328.974127674,392673.818757754,311716.843431885,308404.252705086,474031.784712016,537909.056183689,88474.116678786,404947.151158086,2.19440627900223,0.000325331819541244,0.00330729370183632,0.21862187569971]
["NEG04175","Neoarctin A",369.0175,741.296329892004,52738.1595192558,115014.884192422,66051.6463677548,103710.9248425,74441.3586306605,382343.994964447,299949.354109277,407258.178527735,392322.680668187,508230.020954529,82391.3947105186,398020.845844835,2.27227842259693,{"v":1.92552817927149e-05,"d":"1.93E-05"},0.000531659725054405,0.225871616423916]
["POS07788","Neoacrimarine E",455.1215,614.249841619878,137445.081847965,105099.839154068,87935.2693084844,192114.28038331,124804.650535117,490334.647683009,334208.478482038,442258.662545448,326632.13563102,390142.387789439,129479.824245789,396715.262426191,1.61537658953641,{"v":7.5644634678534e-05,"d":"7.56E-05"},0.00128091553758032,0.212435745010733]
["NEG02093","ndrolone decanoate",535.224,427.321183416252,4217795.81791492,4128700.31661512,2668270.27961959,3589207.38537519,4828682.02427569,9062822.88443703,6832500.67394134,8336833.44618186,10734871.9594256,14198347.7331959,3886531.1647601,9833075.33943635,1.3391596118719,0.00190263310800373,0.0120715998469514,0.918228887753479]
["POS04616","N-Desmethylaminopyrine",36.61175,218.12576194181,1001532.58508383,2034153.2818947,1656473.38669744,1161184.92027704,1130634.47057474,3557962.77546608,5054785.54799142,4951419.92581235,4121172.06653999,4934292.76465667,1396795.72890555,4523926.6160933,1.69545447450665,{"v":2.05797892608988e-05,"d":"2.06E-05"},0.000551217948287428,0.698008874247694]
["NEG05285","N-Cyclopropylammeline",166.276,166.074446549071,47997.271919172,100693.592645625,79770.8398156739,92111.8757168828,103591.023731369,17650673.3170046,9200655.69560994,10513268.6618542,14791264.647772,11278023.6397635,84832.9207657445,12686777.1924008,7.22448567996831,{"v":3.85263069319646e-05,"d":"3.85E-05"},0.000795667446723605,1.43678623797055]
["POS02084","N-carbamoyl-beta-alaninate",176.986,132.052187408886,3810758.40331579,4476856.56287478,3706197.71235066,4629842.62313843,4280383.39423624,22860142.018908,15088298.131651,17828047.2699918,18217951.2983263,15013167.9826865,4180807.73918318,17801521.3403127,2.09014693549629,{"v":1.29419013363071e-05,"d":"1.29E-05"},0.000419486410705084,1.51348249947341]
["NEG05208","N-Acetylphenylalanine beta-phthyl ester",174.482,332.125048659758,195852.087145036,204492.279872668,121295.807053405,177572.648576889,189267.534823431,17952.7156381494,15256.205466254,27132.1797270068,32578.426840547,60571.3618355587,177696.071494286,30698.1779015032,-2.53318685490707,{"v":2.31933449588409e-05,"d":"2.32E-05"},0.000589453590914178,0.151479534646236]
["POS06848","N-Acetylmuramoyl-Ala",191.946,365.155624736594,0,45098.3792317805,29606.8586553167,16223.943749465,44904.6203727242,217280.590921243,111933.555581081,248166.007173005,147831.891551283,133156.498317353,27166.7604018573,171673.708708793,2.65975467046075,0.000757539337124359,0.00603460730785129,0.151124276305972]
["POS04383","N-Acetyl-L-phenylalanine",283.356,208.096069818871,691486.823010899,652605.322943371,731626.23763783,630040.905662945,628555.672242161,3532605.8153286,4238818.01870936,4565984.18565276,5160220.22361295,6478925.37579252,666862.992299441,4795310.72381924,2.8461620074471,{"v":3.30810129962813e-05,"d":"3.31E-05"},0.000716675249990966,0.798173047607297]
["NEG05830","N-Acetyl-L-histidine",36.59025,196.071751794467,211717.194051408,673627.591024087,570652.182576139,500081.048830328,421660.708695168,1748397.81277848,1499469.67694852,1492455.87107547,1580912.69121257,1331462.23087178,475547.745035426,1530539.65657736,1.68637832567636,{"v":7.25410582658422e-06,"d":"7.25E-06"},0.000300166095255187,0.414201524044586]
["NEG06316","N-Acetyl-L-glutamate 5-phosphate",30.4804,268.020224231675,862135.810810961,995983.560511139,601821.994681767,919632.516746583,989830.1323635,2394101.95436239,2504507.53398547,2846152.75498085,2555915.661994,3029166.17896336,873880.80302279,2665968.81685721,1.60915149044176,{"v":1.17415548427013e-06,"d":"1.17E-06"},0.000103713930988728,0.544621865202412]
["NEG04005","N-Acetylleukotriene E4",394.0155,480.244582090616,5527.86659077024,19424.3230332891,3169.0771763786,14995.1903817689,19729.08824062,45969.6780803228,42530.2768627012,37351.3091264763,48697.3137748305,63776.5475028629,12569.1090845654,47665.0250694387,1.92304866198301,0.00025600979936395,0.00284858664814663,0.0727793277428191]
["POS04424","N-Acetyldemethylphosphinothricin",175.843,210.049397407137,48796.9557541913,52604.9791330149,27635.2386703368,35062.0628574303,48748.9191728808,3619899.61174229,5681301.53903984,6499453.73682189,7170910.54310983,5661423.96439302,42569.6311175708,5726597.87902137,7.07170990227164,{"v":1.22310745948249e-05,"d":"1.22E-05"},0.000405256271575198,0.942553295576424]
["NEG05450","N-Acetylaspartylglutamate",99.85,303.083033283746,89774.5551501888,216483.793676817,132262.284356686,155363.527595876,174100.244606481,397455.046587638,393413.778553045,314723.392381893,335549.195851696,362876.973704913,153596.88107721,360803.677415837,1.23206512189859,{"v":5.19100049988988e-05,"d":"5.19E-05"},0.000996538422146243,0.180633470503824]
["POS05984","N-Acetyl-ala-ala-ala-methylester",414.4025,288.154701121467,279946.316030196,411341.998403165,164604.810295432,289251.955910392,279354.908888159,517561.603549477,571172.233687172,739751.634493893,472562.251083476,851615.435499444,284899.997905469,630532.631662692,1.1461154245572,0.00281774682839313,0.0164540229287238,0.223892774809401]
["NEG03619","N-Acetyl-9-O-lactoylneuraminic acid",414.17,380.125130669727,18045.5244500968,50976.7451692809,24045.9006975171,102127.030265969,80161.1388677092,0,0,0,0,0,55071.2678901146,1,-15.7490122031776,0.00912356296583828,0.0416850839082683,0.0846693888587975]
["NEG05994","N4-(Acetyl-beta-D-glucosaminyl)asparagine",34.25185,334.125355443576,2009617.17547596,4570590.09461197,4356359.71308952,5139469.53975852,2903577.63794375,11889675.4417674,10424597.9852511,8255215.85993592,13205811.8464395,10463459.8905138,3795922.83217594,10847752.2047815,1.51487355944959,0.000114652380606982,0.0017094669948501,1.03453757007664]
["NEG04035","N3'-Acetyltobramycin",388.5355,508.267591797554,1589.08347587208,20173.860952691,5126.83416661047,17052.4167540308,14953.3644580025,41375.9628017598,39795.0232009545,36942.02693108,62704.9995174213,83150.0692279374,11779.1119614414,52793.6163358306,2.16413271616486,0.00264604364140273,0.0157599909560512,0.0740192847221151]
["NEG03913","N1,N5,N10-Tricaffeoyl spermidine",403.4135,630.246362606981,21030.6766157049,57463.8829038945,24987.8581557934,65483.8338120977,52309.7157673891,134888.624440994,133903.631963515,137124.324513263,171132.480031746,186975.44949458,44255.1934509759,152804.90208882,1.78777215289118,{"v":6.02466986271562e-05,"d":"6.02E-05"},0.00108065620094617,0.129468554763696]
["NEG03915","N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine",403.393,544.265200632944,282496.498728987,540237.459007681,285138.996077314,485293.099606883,451757.218355775,1254810.1323975,1374196.12425768,1356908.41074838,1628038.15749593,2150153.95541561,408984.654355328,1552821.35606302,1.92477324731775,0.000148103452993583,0.00197162721797708,0.414871644852724]
["POS01532","N,N'-Diacetylhydrazine",668.8,117.065722281422,3884315.72060043,5305705.36461301,3167882.54870649,4766915.16877041,4469223.50156882,15128976.1690162,15326030.8184994,15069750.5701711,15271147.0584105,4964437.02004009,4318808.46085183,13152068.3272275,1.60658445964367,0.00281360849557544,0.0164513343800117,1.13143057458553]
["POS03317","N(pi)-Methyl-L-histidine",29.255,170.091905406741,195574.440535962,235073.45326801,142622.162125442,121170.445035035,206318.395685311,526273.592912823,584758.87894675,538160.691584476,227167.682745656,320759.854425797,180151.779329952,439424.1401231,1.2864012264652,0.00745366206739334,0.0355476323868161,0.191939816848041]
["NEG05298","N-(4-Coumaroyl)-L-homoserine lactone",166.218,246.074224723053,48142.7378615425,109133.013798236,52802.829050115,106420.925453238,125375.269828733,33117571.6149174,23398429.5199141,16399855.3878106,22409284.2517302,25760454.6859381,88374.9551983729,24217119.0920621,8.09817395600077,{"v":1.99421642421352e-05,"d":"1.99E-05"},0.000547247243282643,1.98570299918956]
["NEG05559","N-(3-Oxohexanoyl)homoserine lactone",46.5082,212.089576467216,41902.312635043,71819.2149629817,60202.5339881714,77429.3267064661,79470.1160289038,163694.367679957,173710.876236942,192107.44793397,190271.417347116,248272.34485081,66164.7008643132,193611.290809759,1.54902944482057,{"v":4.93775075239159e-05,"d":"4.94E-05"},0.000960320087523275,0.140151402175464]
["POS05842","N-(1-Deoxy-1-fructosyl)valine",38.59355,280.137936665687,2050328.53269431,4621946.71558704,2086086.29471745,3267595.34859959,3407495.93739172,7960931.43654266,7296529.81414705,7694299.94883493,9063561.33275453,10964150.3212576,3086690.56579802,8595894.57070735,1.47758692503639,0.000144178077280531,0.00196890561646915,0.919115108736531]
["NEG03538","Myxalamid B",423.5085,400.285401294511,6432.68720231347,10021.8672246625,5719.58410928232,4455.30686986338,13100.6750150658,566694.605499214,460808.873606066,490717.952965292,991425.937063046,1363634.71873689,7946.02408423749,774656.417574102,6.60717959901937,0.00238797061892804,0.0146120281511151,0.321353517790467]
["POS07581","Mycimicin VII",454.774,522.353968976875,69905399.0045043,120402077.21479,70327707.9761158,109330725.984959,106423147.816775,357660366.918399,335673270.970014,379903885.556639,410687581.167571,524060679.831258,95277811.5994288,401597156.888776,2.07553687378028,{"v":2.12415042610373e-05,"d":"2.12E-05"},0.000555633032512397,6.96718264227851]
["POS05621","Musk ambrette",452.109,269.118110610461,0,56069.1911098632,37604.2882457989,47937.3344776409,45877.2483394682,211852.616647922,144140.663219241,293042.274224511,267818.00569234,413054.130480385,37497.6124345542,265981.53805288,2.82645546712971,0.00107719815277658,0.00777613106002737,0.181848006410401]
["NEG03566","Musabalbisiane C",419.315,567.246517381128,0,6575.86185862039,7244.37476448024,13760.7412356766,10380.1225691325,81322.3947452845,65230.7554761698,72935.5092423919,89337.9867430129,104880.509184208,7592.22008558195,82741.4310782134,3.44601619097587,{"v":6.30148420320531e-06,"d":"6.30E-06"},0.000283759536038832,0.109828562726718]
["POS05315","Muramic acid",33.02945,252.106989838198,563692.541528748,759966.225635145,360055.68593163,922257.806877489,335381.509852662,1858225.43270701,1625894.33416952,1592980.08672243,1839316.55518267,1321594.27208965,588270.753965135,1647602.13617426,1.48581568264076,0.000104663351002999,0.00160039833063085,0.415202538901755]
["NEG04214","Mupirocin",362.7735,499.286962372176,100363.331405577,112672.077894504,50363.8404059163,97207.1643222977,103166.626015067,245806.806372777,255151.136971707,237640.806185847,284152.471552915,397333.80086262,92754.6080086724,284017.004389173,1.61448644685664,0.000289592332330636,0.00304787412356456,0.169838454216342]
["NEG04186","Mulberrofuran T",366.529,715.280632365538,62379.5569361258,125021.943280951,80264.9308523376,109690.30003539,90076.2176620178,378538.956696524,308209.036975635,418335.641984102,329679.435071236,417105.789827893,93486.5897533644,370373.772111078,1.98615060167579,{"v":3.91909777260517e-06,"d":"3.92E-06"},0.000219126554210787,0.215024298043765]
["POS07748","Montelukast",414.5295,586.218359684103,96123.3210059679,111634.883848233,37484.8243704836,80662.6634376878,78841.5842450339,132290.761038735,185280.383843589,245002.328480505,163147.352038587,113573.685045845,80949.4553814812,167858.902089452,1.05215577036492,0.0102549858113142,0.0457328471149542,0.109231263947537]
["NEG02087","MG(0:0/21:0/0:0)",536.042,399.347480571308,4911826.05149037,6347002.05034518,4867421.07676136,5435366.56494657,5287696.24564701,15717606.5532735,12894146.9861203,14339580.2432274,13436177.4619946,15804190.2326063,5369862.3978381,14438340.2954444,1.42694788734108,{"v":6.38320084311757e-07,"d":"6.38E-07"},{"v":6.79810889792022e-05,"d":"6.80E-05"},1.23777486849951]
["POS05942","Metominostrobin",226.603,285.122275312396,42973.5129653221,178293.077383547,75106.5433409904,154018.556038503,104194.41746125,355034.871003616,257324.965308547,358998.475993578,446011.916070062,267135.504435702,110917.221437923,336901.146562301,1.60284195701732,0.00072214482527594,0.00580962914291237,0.184433515797013]
["NEG06322","Metiamide",30.4797,243.074755614016,594078.549473452,962993.277567835,786445.67156572,649733.588913008,895669.397696252,1153964.17189885,1916699.21951865,1739513.81946262,1884092.91117834,3036047.53900352,777784.097043253,1946063.5322124,1.32311716773513,0.00578175227811858,0.0291022982564434,0.37890653865445]
["POS06432","Methylene blue",177.89,320.095383930269,130793.727917173,262515.185082285,96503.7234866215,331749.232182553,232576.889995871,6080984.30507689,9911342.21162325,8652939.26430269,10719502.9128658,9274997.51528408,210827.751732901,8927953.24183054,5.4041927815997,{"v":4.09323485719005e-06,"d":"4.09E-06"},0.000220590837544712,1.16872884767892]
["NEG05304","Methyldopa anhydrous",166.211,210.076287784861,2924.8511576122,3709.0850100249,1071.64189878968,2375.32823230436,1274.7926306124,734451.046375282,186563.3790833,376695.178764216,265786.442503454,289611.452748908,2271.13978586871,370621.499895032,7.35038625997073,0.00493355702031864,0.025992697940972,0.236455761971056]
["NEG01222","Methyl (7Z,9Z,9'Z)-6'-apo-y-caroten-6'-oate",600.127,471.332163508214,421249.652208997,486141.398883837,114708.150464295,222067.738655305,189083.479496918,702331.56523773,655429.576790495,419229.142159719,728552.598446165,700667.619529996,286650.08394187,641242.100432821,1.16157844651937,0.00456075165760333,0.0244900866320045,0.224287761313712]
["NEG05635","Methoxybrassinin",44.2096,265.04387706721,2591.34564608625,2669.59244529366,4508.46568033963,3547.75962227349,8894.84226849551,42284.6488939977,53402.4041710761,33923.8110665792,88326.5470711571,105024.795920446,4442.40113249771,64592.4414246512,3.86195377740053,0.00237970366752975,0.0145813897326857,0.0885924219632837]
["POS05864","Methoxybrassenin A",34.8689,281.07880219403,5116413.56229729,4620500.03772773,4512427.85352338,4382887.71514231,5034350.21157464,799277.253683079,927133.650729578,857862.05827147,1002944.60759796,847169.403055362,4733315.87605307,886877.39466749,-2.41604462327141,{"v":5.58017013604434e-09,"d":"5.58E-09"},{"v":3.12001262731579e-06,"d":"3.12E-06"},0.801884313396159]
["POS05664","Methoprotryne",452.11,272.154871144772,453894.714145588,977310.38365707,420800.958083316,804644.105746888,760290.834132284,2019087.64410168,1763681.10035073,1845434.09625889,2219296.91668773,2768529.96738093,683388.199153029,2123205.94495599,1.63546707493169,0.000124878196417345,0.00181357198887917,0.471613332292107]
["POS06966","Methicillin",117.771,381.114289088737,260272.507083842,212630.207345392,87396.7727332435,98838.1604894098,227605.325448948,545203.313946607,716108.229985364,726352.590974164,999267.778685307,1252579.58236443,177348.594620167,847902.299191174,2.25731013983736,0.000844343440766557,0.00653416645423669,0.308142239373495]
["POS06433","Metcozole",37.8048,320.152502424949,30078.6847143648,32363.0439780512,50188.2573575745,119995.944811959,57158.2191349151,298766.758974899,120515.91767101,234914.442611477,123012.548129961,160279.431455455,57956.8299993729,187497.81976856,1.6938232273254,0.00962499200682797,0.0434435814798603,0.137529570136189]
["NEG04851","Metaxalone",220.518,220.097181182263,10871.6863153073,2389.72598858787,4643.7631353804,6480.90207544026,5911.5099941421,30158.7524756191,35274.5609393201,30732.5141201449,52708.9097810431,58669.9234482801,6059.51750177159,41508.9321528815,2.77614699143815,0.000397093339846695,0.00377914576411546,0.0716381140660708]
["POS01969","Metam-sodium",714.8495,129.978658908889,47143873.7689047,68940096.7215805,57521804.7743862,4463800.29997381,62716857.1319164,6758810.9165045,5386409.50695532,4716362.10130952,5011954.45052698,4643307.28686835,48157286.5393523,5303368.85243293,-3.18277310721493,0.00581594614964346,0.0292300304801744,2.43445179626147]
["NEG04188","Mertansine",366.5205,736.259039213017,1505.21504569603,4186.65753581832,5534.12375209847,4065.09388820298,7281.31214124357,59223.3987674106,35641.832847977,48148.3038974567,35591.7016483124,56021.8822058683,4514.48047261187,46925.423873405,3.37773790014373,{"v":3.05712058532579e-05,"d":"3.06E-05"},0.000683725018908114,0.0837184414284748]
["NEG05164","Melphalan",181.294,303.069403569369,9241.18421810207,9894.72187361745,14470.5720151741,26853.5687826019,10067.4269176446,2405.81197570435,0,3334.4547661541,1303.74739032395,4395.5114927539,14105.494761428,2287.90512498726,-2.62415813779641,0.00845486843215941,0.039091053254087,0.0391776107867184]
["NEG06347","Meloxicam",30.3788,350.023309235269,594666.562014472,668841.68310034,501616.811487702,841651.717388185,775668.17528987,1823820.90153595,1678532.74663734,1868597.85993959,1730008.83772963,1969004.28611493,676488.989856114,1813992.92639149,1.42303047109864,{"v":5.64824683976576e-07,"d":"5.65E-07"},{"v":6.31615202856806e-05,"d":"6.32E-05"},0.436739153292221]
["NEG04467","Melochinone",313.454,330.1555093618,50402.9528310735,52683.5223260054,43963.3799593773,63002.4798354867,52843.2103131083,1845407.97735857,689871.343644117,1483857.58650806,926165.606535676,973477.595569303,52579.1090530102,1183756.02192315,4.49273825880657,0.000657727123010109,0.00545828092991506,0.429217686135392]
["POS07327","Melleolide L",36.4634,451.147505786775,1913356.98598554,2571439.46642538,1670514.0724837,2791453.67674264,2771935.41967753,4512948.79605427,4494679.2233242,5805183.38339929,4952611.74241482,4675230.56897009,2343739.92426296,4888130.74283253,1.06047038507305,{"v":6.49193463485973e-05,"d":"6.49E-05"},0.00114324502447746,0.639975453389144]
["POS05662","Mecarphon",290.887,272.023178210286,1243763.29849675,1144737.64429086,858400.668724623,893154.400174672,1313699.2340927,370966.133349814,211387.944257459,386180.885476601,324365.604590673,390501.487807774,1090751.04915592,336680.411096464,-1.69587017225882,{"v":5.70381422747337e-05,"d":"5.70E-05"},0.00104562135407739,0.339375839125923]
["NEG05349","Mecarbinzid",164.615,307.085291117455,0,1007.78853108275,0,0,0,162491.943842894,147334.202965161,147103.017709919,171586.106502443,103383.130583163,201.55770621655,146379.680320716,9.50430664139086,{"v":1.59363488393853e-06,"d":"1.59E-06"},0.00012729158635459,0.155533758592719]
["POS06121","Mecambrine",216.636,296.131213359148,23125.7591715558,26831.4599513567,5909.8079682361,20828.5094008844,11980.6428696721,1124187.06762999,1040474.92208665,1167019.12032691,1174698.87545202,1383950.89451116,17735.235872341,1178066.17600135,6.05365825459544,{"v":3.47521292083855e-08,"d":"3.48E-08"},{"v":1.36728162465784e-05,"d":"1.37E-05"},0.439863811256299]
["POS06335","Mannopine",452.221,311.142333318165,119575.588238547,77036.3335501344,49254.2053235879,149136.296177309,86988.1021275925,428728.856924915,290228.253681766,395474.964606157,395135.901453787,378445.110010065,96398.1050834342,377602.617335338,1.96979207220374,{"v":1.08202499962345e-05,"d":"1.08E-05"},0.000370864153719956,0.218179138128779]
["NEG05372","Malvidin",161.538,330.068819488628,124717.577399937,381699.678044413,308101.96703316,223252.682245139,323427.166984902,5869044.82818938,3287043.02586833,6934781.37969488,3137384.79942886,4072254.68307462,272239.81434151,4660101.74325121,4.09741147569346,0.000379788102639354,0.00370107229434822,0.845862675503595]
["NEG03138","Makisterone B",457.3745,493.312774252488,9064.71655619274,36495.8136232718,11302.6624519261,26317.3560667756,16458.1624391136,94836.1336490957,74111.6311259282,97416.5936933153,98216.6559217993,113109.972128977,19927.742227456,95538.1973038231,2.26129939003511,{"v":1.36318294626811e-05,"d":"1.36E-05"},0.000429402628074455,0.111103255317324]
["POS07711","LysoPE(0:0/24:0)",177.142,566.41825225146,0,0,0,0,4016.10970969932,18089857.1442933,10191055.9612577,11428694.0269533,11867390.726001,10203248.4266293,803.221941939864,12356049.2570269,13.9090593212747,{"v":3.07574654142262e-05,"d":"3.08E-05"},0.000684468372128527,1.43628180926709]
["NEG03972","LysoPE(0:0/22:4(7Z,10Z,13Z,16Z))",400.747,528.320330640381,2121.59731784819,6730.06556232836,3113.8116567674,7193.86724029016,16633.796929402,17884.0476270977,28480.8603580495,23227.8010347119,29905.8468241105,44561.398620189,7158.62774132722,28811.9908928317,2.00891438878512,0.00299736383006992,0.0172550944812133,0.052814415777198]
["NEG03424","LysoPE(0:0/18:2(9Z,12Z))",431.93,476.277891255906,58644.6725830233,225655.303157817,123243.897181234,187612.935200465,204939.790981036,376755.366393192,323748.123765916,322137.131288042,437570.023578339,594053.637714522,160019.319820715,410852.856548002,1.36037569905934,0.0027929926781523,0.0163950869414373,0.183490462922758]
["NEG03655","LysoPE(0:0/18:1(11Z))",413.505,478.29397017492,576822.409434058,955607.982326666,455526.632834549,856281.172263214,861178.207089165,1397090.91829919,1384184.69821066,1429488.32437577,1604819.38034573,2106291.94892192,741083.28078953,1584375.05403065,1.09620630867693,0.00096985642330525,0.00716760511046087,0.34967490228249]
["POS07661","LysoPC(20:3(5Z,8Z,11Z))",454.777,546.341816842262,295727.007568876,483055.19533571,405693.665426645,709339.385184011,431215.518064517,2754101.15177264,1694327.86521901,2074582.22087403,1814110.3861966,1797097.88585828,465006.154315952,2026843.90198411,2.12391326807131,{"v":6.0038668975456e-05,"d":"6.00E-05"},0.00108065620094617,0.510398272475462]
["POS07673","LysoPC(20:1(11Z))",504.351,550.385075508332,35557.9052115688,74245.5156252179,103648.030739224,81905.6456598586,123639.692817771,1187796.26442221,482049.631746966,1061482.19574995,508733.296186302,881121.110665424,83799.3580107281,824236.49975417,3.29804725550199,0.000869744265596676,0.00659384084748124,0.344217023196805]
["POS07490","LysoPC(16:0)",414.402,496.328782617376,5649600.5829974,8816874.04447654,4782690.17916054,8179053.72361544,7973731.10325243,13697790.8407437,12899676.3077105,13799980.8946945,14853169.750135,19031640.2321417,7080389.92670047,14856451.6050851,1.06918885718089,0.000409550099505152,0.00387297588813223,1.08209585932759]
["NEG02921","LysoPC(15:0)",490.581,480.309245718838,1105075.96450092,1990322.80030783,1195627.87415432,1828216.43324925,1832883.73793378,5081693.8110992,4512157.69111065,4958518.16443213,5882642.53175964,8272281.80498677,1590425.36202922,5741458.80067768,1.85200467773851,0.000332318058809658,0.00335543719425643,0.786624950525397]
["NEG01227","LysoPA(24:1(15Z)/0:0)",599.977,519.353367463885,529019.78652976,584934.243414696,460179.577305861,432032.503356462,543835.051655638,1477927.70195002,1046250.54515735,1400790.99755236,1252285.70082806,1318522.7139051,510000.232452483,1299155.53187858,1.34900434745853,{"v":8.47586210052534e-06,"d":"8.48E-06"},0.000321292637081778,0.36553084003548]
["NEG04042","LysoPA(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)",387.702,483.26272733494,45773.8830299589,68343.8717622927,35601.7786349903,68532.068120972,57889.5990806038,128786.318890597,106429.533454956,129195.434158871,150583.019909957,215279.027642462,55228.2401257635,146054.666811369,1.40303039552532,0.00175448769102728,0.0113081029423127,0.113638807437357]
["NEG00196","L-Valine",695.699,116.070193276306,21869031.397978902,26323651.3611118,18199720.8469088,28625588.7203614,25014904.8557795,65057647.6060433,56691553.0454313,66861152.0517494,55710805.638618,63067924.6004802,24006579.4364281,61477816.5884644,1.3566360713494,{"v":1.17135963335978e-06,"d":"1.17E-06"},0.000103713930988728,2.5269629579693]
["NEG04607","L-Tyrosine",280.258,180.065472159357,1757016.90216317,2026808.37922792,1420437.72013285,2215249.09003258,1928246.25893513,9288674.76252753,7935226.23749294,7892254.70946038,11137204.2011275,11016467.232155,1869551.67009833,9453965.42855267,2.33822724451831,{"v":5.83617605953514e-06,"d":"5.84E-06"},0.000276520456839552,1.10405144708861]
["NEG04900","Lophophorine",209.995,234.113035727565,0,751.710430506993,1638.87226357776,1027.6489324626,1422.11575850236,301167.902125162,182240.189034257,186625.121350289,131878.034189658,112692.363518412,968.069477009943,182920.722043556,7.56189221223867,0.000544211008474417,0.00474513809143482,0.171110008217585]
["POS07565","L-Olivosyl-oleandolide",414.396,517.308068748789,1382200.49892819,1721838.58510283,925196.849867617,1650198.44687386,1565836.61212449,2952488.12711863,2644939.78817538,3061105.13028632,3199300.32986298,3784456.32766513,1449054.1985794,3128457.94062169,1.1103401517622,{"v":9.97933887701974e-05,"d":"9.98E-05"},0.00156075464324858,0.516524333234352]
["NEG03417","Lolitrem K",432.7405,600.323347275611,103878.975772734,171511.140201242,166651.589650375,235672.751511622,185200.743407651,498193.409549734,311496.922124862,384049.160241384,431011.45728047,466249.064095097,172583.040108725,418200.002658309,1.27690237456057,0.000230720976863975,0.00266670524421851,0.196107148143002]
["POS06936","Logate",229.876,377.144066774285,25167.266802445,67374.3097704392,67003.3449033173,59177.7337944618,48903.4627590893,120295.106465338,118929.490075756,164990.528242378,188682.374151129,122119.006917239,53525.2236059505,143003.301170368,1.41775762867809,0.000587519790496178,0.00500566861502744,0.113494872370247]
["NEG04784","L-Methionine S-oxide",242.971,164.042155734858,374899.880448414,183078.791746753,168638.01541466,196527.575733402,228689.322089358,2930553.97354483,1400804.14780657,1719887.25037735,1685813.5137398,990197.72504237,230366.717086517,1745451.32210218,2.92159592363996,0.00165105110889483,0.0108341675251253,0.487636686144094]
["NEG05269","L-Methionine",166.4825,148.047159846198,1038448.66573651,1506425.78790524,1155420.66270069,1319710.84419941,1762560.60567644,8486282.31007545,5739098.15662768,6549684.71287459,7742938.70293168,7599105.42579457,1356513.31324366,7223421.86166079,2.41277922224372,{"v":2.53013281774959e-06,"d":"2.53E-06"},0.00017683256396553,0.987469694478673]
["NEG06259","L-Lysine",30.7677,145.096822688579,3120775.67220486,4951085.49967043,3680927.24735714,3510552.34018739,4373788.84560709,7402849.52325482,10094923.51249,9081359.65514481,10375156.1376855,13860539.6627224,3927425.92100538,10162965.6982595,1.37166549371029,0.000499899158155065,0.00442505503527985,0.939855503910601]
["NEG05828","Lincomycin hydrochloride",36.5973,459.191058954662,44087.880121996,73917.0003794393,21008.5812364063,120408.228006511,28752.7473508453,125526.229010281,147358.7584099,180725.184663414,124949.409308039,220663.354791155,57634.8874190396,159844.587236558,1.47165562137088,0.00411409259570408,0.0224967434970469,0.120118905349714]
["POS03903","L-Homocitrulline",37.54135,190.118014420064,1281409.54680888,1583174.80311183,1272082.70493006,1241192.75157514,1418807.9878838,2470784.13181204,4276239.26139032,4410469.40606361,3937252.07162036,3774071.64152027,1359333.55886194,3773763.30248132,1.47310442324218,0.000127166952898999,0.00183489606553943,0.601048010807175]
["NEG05015","Leu-Gly-Pro",192.5355,284.161201102077,45791.4180350183,107467.054260019,73904.5965300829,222213.501566287,112184.474791835,507096.102956749,350414.994335338,492502.556537232,331496.000144732,384044.902588541,112312.209036648,413110.911312518,1.87901439975192,0.000215576413215111,0.00254012271946888,0.221646341077733]
["NEG04634","Leonuriside A",274.441,331.108667459608,35187.2504957244,54966.4005646663,38391.8179321843,98493.1725343668,51475.1092469664,0,0,2528.23193837267,3743.05568211516,7266.95257911241,55702.7501547816,2707.64803992005,-4.36263643396546,0.00166157811809433,0.0108341675251253,0.0869497700290236]
["POS06349","Leonurine",454.783,312.150170199609,74234.124715695,76866.1841270161,53573.1119383152,146723.192273612,93789.4248667427,380579.769135798,372516.192581417,372804.684923941,318200.69527793,468376.834433064,89037.2075842762,382495.63527043,2.10296303283425,{"v":7.53263861332e-06,"d":"7.53E-06"},0.000303544977634057,0.219407202225161]
["POS06722","Leonuridine",90.09045,349.142273174853,13385.7541392264,4147.77883018036,10730.9197571899,7753.77974069158,0,70759.1148105108,104923.937352709,94157.426680885,166730.814863968,170629.780628012,7203.64649345765,121440.214867217,4.07537505303212,0.000480018947135925,0.00432017052422332,0.127112182930494]
["POS01674","L-Cysteine",43.91425,122.026866043218,2921550.62241528,4533973.42470548,3411433.82192577,4472220.44746783,4486061.37554633,8425430.68355142,6539492.22774917,7772061.38234974,7291697.7118418,9646423.17156664,3965047.93841214,7935021.03541175,1.00089573901501,0.000219434752322808,0.00254943284971408,0.787940566546844]
["NEG05333","L-Anticapsin",165.4655,198.076107863953,408883.364792614,649480.959546007,514768.426161266,981721.876387288,524908.339218627,2942344.03999583,2561409.86504291,1739124.65604221,2755337.93316446,1775487.69650694,615952.59322116,2354740.83815047,1.93467706281598,0.000201045767661852,0.0024304803209499,0.518846652719172]
["NEG00203","L-Alanine",692.965,88.0387971395559,11100385.1430659,12917465.0062422,8286478.43485214,11482548.7233953,13701421.8570085,33617315.1284958,35285213.591624,38326066.9106569,36572953.8187329,42476658.3485973,11497659.8329128,37255641.5596214,1.6961186537637,{"v":5.0783308457928e-07,"d":"5.08E-07"},{"v":6.20487680556787e-05,"d":"6.20E-05"},2.06157405891092]
["NEG02710","L-2-Hydroxyphytate",510.976,327.290236947286,2316086.45545882,3030241.18077483,2320221.23285207,2692470.54393915,2895667.37354582,6341613.39021981,4726898.56863106,6119329.75030489,5042175.59395911,5638166.84879294,2650937.35731414,5573636.83038156,1.07211642255005,{"v":2.61891770043192e-05,"d":"2.62E-05"},0.000626439511980319,0.700904202388995]
["NEG05720","L-2,4-Diaminobutanoate",37.4855,117.067211796633,1328770.38768238,1639094.98269736,1016605.22426514,1558309.02767487,1516613.88620251,174584.594221699,175464.86944038,274447.526150128,134478.292768465,235828.143161149,1411878.70170445,198960.685148364,-2.82706086221636,{"v":5.30451129306553e-06,"d":"5.30E-06"},0.00025880871138417403,0.438991384130359]
["NEG06157","Ketamine hydrochloride",32.11165,272.064939046248,824658.000661492,778859.24846631,652741.36958856,396400.143992181,750968.844108736,1336039.18858022,1295602.65473887,1189392.76735766,1132978.09195285,1917910.24273174,680725.521363456,1374384.58907227,1.01364066025179,0.00250101259282956,0.0151791442709995,0.31239528135799]
["NEG03111","Karounidiol",461.875,439.365067746725,30045.5117977472,81895.1086520531,68305.3429978373,111894.233116508,79325.1249499253,183261.993848387,165015.389276755,176630.652659934,209704.268385241,205709.427765655,74293.0643028142,188064.346387194,1.33992692774537,{"v":8.99697707044719e-05,"d":"9.00E-05"},0.00144760713798958,0.131926365007635]
["NEG04996","Justicidin B",193.977,363.084910295361,0,1451.18146967806,0,0,0,164479.897511088,151920.708402927,196552.267326529,190930.081497499,232521.531736916,290.236293935612,187280.897294992,9.33376009730225,{"v":9.42277212829156e-07,"d":"9.42E-07"},{"v":9.16262168040178e-05,"d":"9.16E-05"},0.175167502079058]
["NEG03203","Janthitrem C",454.121,568.35199823877,137999.705407597,189768.702683584,107314.792857212,174853.385287787,194854.650104039,734732.107685072,554195.531787124,667992.014023317,615846.410076289,858633.35404114,160958.247268044,686279.883522588,2.09211056619761,{"v":1.1851742427444e-05,"d":"1.19E-05"},0.000395618237895201,0.294195703095128]
["NEG03186","Janthitrem B",454.21,584.339401610868,328733.920733316,470274.527700096,277033.473431155,403117.148497956,422687.996696437,1055353.39796225,936612.549165767,1018275.4693342,1005062.06251345,1227550.88199735,380369.413411792,1048570.8721946,1.46295123075328,{"v":3.61522917253666e-06,"d":"3.62E-06"},0.000212775264325743,0.332153374227603]
["NEG02607","Jamaicamide C",517.738,489.259255162985,358142.1738851,482715.367399293,433872.424089111,538443.418494295,397980.604393329,1475936.45114427,1021868.59256276,829294.406282122,1107109.10850628,1250891.88064583,442230.797652226,1137020.08782825,1.36238633733833,0.000279139760368698,0.00295874916618291,0.329611588946781]
["NEG01228","Istamycin C0",599.9705,345.256169646075,174125.215545709,264120.119779774,175993.191986766,182954.951385903,260362.2563054,739323.911086564,558626.813331479,729306.745599754,642600.319209512,716624.168053595,211511.14700071,677296.391456181,1.67905361143815,{"v":2.69949268914775e-06,"d":"2.70E-06"},0.000181410245777324,0.279804413485977]
["NEG04842","Isovalerylglutamic acid",222.4175,230.100913973601,427426.95914927,524453.969956466,533060.750129585,872666.145515535,261903.693795063,1500642.25616829,926311.18542901,896066.255157062,1624944.36148578,1128333.7522652,523902.303709184,1215259.56210107,1.21389477484805,0.00481493523171992,0.0256090431527743,0.308635503736952]
["POS06037","Isoprothiolane",100.1441,291.068879584327,2090825.86048661,4576446.71549519,2895609.82602427,1867608.98025403,3209683.95992907,8315747.87944886,7689596.73657591,8298313.69735438,4562307.16514268,4132413.67506085,2928035.06843783,6599675.83071654,1.17246232994654,0.00795695115073252,0.0372685261751063,0.718798693321814]
["POS05987","Isolobinine",37.2763,288.202095460282,112398.293190432,136460.208099211,145771.228465857,177724.318600257,193862.856762067,408643.817858714,335774.763768197,387090.415109416,280422.632077644,301928.749958388,153243.381023565,342772.075754472,1.16142482219994,0.000158000578656602,0.00206861162844034,0.175083910187297]
["NEG05001","Isoleucylproline",193.6045,227.139440838323,46592.8724937124,485886.091962397,212632.288223367,298498.547413155,553399.639589359,569331.991134635,583498.292357722,807920.960853444,928982.091066351,1129977.17741267,319401.887936398,803942.102564964,1.331718766363,0.00868452730504195,0.0398791059851781,0.242628273510802]
["NEG03570","Integerrine",419.285,592.294770522904,0,3668.1385433116,1758.19639398045,1569.34753559781,3036.75537260334,49941.2551563036,51177.0684534844,32728.8985033265,61503.734682674,88957.9603272574,2006.48756909864,56861.7834246092,4.82471522545616,0.000357273835752889,0.00353717995684792,0.0893751000107523]
["NEG03988","Indivir",399.14,612.351692145104,4656.9516148536,19553.732471904,4608.98613461859,14355.8624531526,15410.5558965776,154043.328901899,197723.590683597,150917.327418902,209777.311529895,305414.889876548,11717.2177142213,203575.289682168,4.11886051163423,0.000135780387253717,0.00189795522558087,0.16916342385383]
["NEG02103","Imperialine",533.6315,428.324686899929,849530.19995018,821197.162346303,605575.148155162,543622.504812444,985581.528778694,2420743.21249135,2050761.5776718,2379781.92110931,3115879.94559313,4085847.93608094,761101.308808557,2810602.91858931,1.8847192383203,0.000567430997556627,0.00491883498463332,0.547677126468285]
["NEG00636","Imidazol-5-yl-pyruvate",673.497,153.029239788578,480253.900322705,630276.135828086,542402.938568802,774972.503942857,624005.696057373,1839256.99859088,1254978.98282687,1098214.14699468,1461905.70123433,1154624.1412645,610382.234943965,1361795.99418225,1.15772571598242,0.000781797481524198,0.00616695026607626,0.340143041382688]
["NEG06085","IAA-94",32.37745,355.042412906969,50156.1254418711,237603.489221184,180384.543990946,0,56567.5528804702,602403.630835453,289827.111344238,675655.597148233,316068.274289817,541462.188537979,104942.342306894,485083.360431144,2.20863579602312,0.00277841128053088,0.0163564370880246,0.238838527526419]
["NEG03997","Hydroxytyrosol 1-O-glucoside",397.012,315.113809139119,41774.0508497631,45070.4061077301,38446.2076041992,75584.1795796088,52974.8343722072,0,0,0,0,0,50769.9357027017,1,-15.6316868125252,{"v":6.13986110630837e-05,"d":"6.14E-05"},0.00109134226370692,0.0891149702494183]
["NEG05779","Hydroxypropionylcarnitine",36.93625,232.118391985978,2209.8180878319,1923.14659564121,1261.3391533684,0,0,17513.1045387947,14419.4248713851,43727.3291796092,8570.8386595973,29334.3848962942,1078.8607673683,22713.0164291361,4.39593872299613,0.0086715046244541,0.0398748985412177,0.0549118652859737]
["NEG05267","Hydroxylumiracoxib",166.485,308.04490270872,4339.26488188003,2458.87157246799,2369.52635369264,915.0105876885,5429.64712754391,3734538.37625988,2609987.70651873,3421048.91595416,2294088.36275758,2804777.5500213,3102.46410465461,2972888.18230233,9.90423496704258,{"v":3.57689065791632e-06,"d":"3.58E-06"},0.000212775264325743,0.711599446275082]
["NEG04977","Hycanthone mesylate",196.848,451.128982071429,100180.064101888,202995.170406206,136869.63432424,169176.233939011,172152.322908027,44509.1002644218,33956.665541576,47836.0637926713,40517.8547105643,70611.5860352337,156274.685135874,47486.2540688934,-1.71850223629134,0.000379745811846636,0.00370107229434822,0.129221194797544]
["NEG03180","Huratoxin",454.344,583.336111980327,1143075.85530816,1635629.44240791,966709.235861105,1449380.10601404,1528901.91428992,3678104.71412726,3265103.97925201,3447367.77613981,3542160.26200932,4065906.47344009,1344739.31077623,3599728.6409937,1.42056163460115,{"v":1.80423603369147e-06,"d":"1.80E-06"},0.000136785555571219,0.611504730104344]
["POS07660","Hovenidulcigenin A",454.775,545.339170795103,712487.978704113,1225567.64471517,783881.250478572,1274118.16073793,1172400.05898103,4548893.92150493,4114719.73819259,4950202.52378847,5003934.64953589,6410566.5124011,1033691.01872336,5005663.4690846,2.2757562887056,{"v":9.57242142215641e-06,"d":"9.57E-06"},0.000353691353529491,0.799348801600043]
["POS07675","Hordatine A",454.7795,551.313163979984,7569.43566110115,10200.2461139198,19723.7677605667,77757.4185805918,36792.3315515273,768373.43250946,732933.20163395,857281.204936162,964524.593944952,1388848.20766472,30408.6399335413,942392.128137849,4.95377429180501,{"v":6.03988487003224e-05,"d":"6.04E-05"},0.00108065620094617,0.375757646415104]
["NEG05803","Homocarnosine",36.8396,239.114350051655,11335884.3955307,14657076.1399045,10281573.8534167,16520489.8184928,14529548.0040128,293591.178978131,226630.425207184,141157.990680677,299663.811802772,12953303.7577495,13464914.4422715,2782869.43288365,-2.27455993603464,0.0050438877153381,0.0262086905255674,1.21274702044725]
["NEG05138","Heme",183.412,615.156988932106,0,3683.89563514661,1033.76458608502,0,0,33063.1174594019,38025.2679156275,47110.3462523759,22259.5895745467,42218.2400775827,943.532044246326,36535.3122559069,5.27507621195089,{"v":3.50193263502576e-05,"d":"3.50E-05"},0.000742376524951196,0.0760306198054342]
["NEG03681","Helveticoside",411.4935,533.268542983957,28273.8642410962,37051.4876039145,5547.45324416222,50397.5064082146,79763.4075410426,70152.0207881756,94751.4210035423,128322.180848096,129407.513162259,201426.729906315,40206.743807686,124811.973141678,1.6342469301947,0.010198946610002,0.0455288305254879,0.101944710554841]
["NEG05459","Haplopine",95.8327,244.065053012597,468441.545878884,886547.600278995,716778.960930096,1185954.32500177,785220.038257656,1846502.053436,1826044.01155519,1363099.27885841,2054552.43579345,1509237.80660905,808588.49406948,1719887.11725042,1.08883629863386,0.000700522465006359,0.0056765162789374,0.362764345113461]
["NEG02384","Haloperidol",527.7485,374.129580285926,44430.0265564605,175072.078802736,51533.7688153773,228732.682380341,123885.101057386,0,0,0,0,0,124730.73152246,1,-16.9284574388246,0.00788196292338498,0.0369947745606516,0.126604594904709]
["NEG03114","Gymnodimine",460.992,506.324810210595,741105.058444147,871258.389956129,812654.125425076,1475456.10413796,856012.830369343,2133291.18111888,1532870.17009111,2068877.24521804,1898558.39381462,2435440.19460775,951297.301666531,2013807.43697008,1.08195754635159,0.000698361658134118,0.00566927712674031,0.40421216699499]
["POS07572","Gravacridonetriol glucoside",35.92285,520.185769577753,178642.308955607,181493.942367781,69338.7883051974,174335.094312313,196826.459887556,1088886.5187222,938053.474304793,1463955.59373799,1292786.7315219,1753246.84417524,160127.318765691,1307385.83249242,3.0293936014291,{"v":4.637852204212e-05,"d":"4.64E-05"},0.000926121112028584,0.427560050997478]
["NEG04238","Gravacridonediol glucoside",361.09,502.159574724728,3238.64184602331,21693.6004477562,9295.67915638258,11722.1979416718,11607.622023567,60455.7648693266,49326.0472106862,67400.472034608,91766.8052741652,117116.010920012,11511.5482830802,77213.0200617596,2.74576225628544,0.000776693968640907,0.00614894180837306,0.0970977504797127]
["NEG05268","Graticin",166.483,443.090495753945,0,0,0,0,0,483509.91164415,98860.1098460692,489953.604423346,176046.514839556,251055.316598117,1,299885.091470248,18.1940502760814,0.00563291362816586,0.0286970645316468,0.213439301428107]
["NEG03286","Gniditrin",450.925,645.274325452408,17121.0489515003,45831.674464453,30134.8061796511,67021.9657708837,67678.2868200511,96242.0463010006,91840.8100510869,112835.630210011,109007.545328081,96726.2812123738,45557.5564373078,101330.462620511,1.15330567902768,0.000850282236337224,0.00656876069626322,0.0902886735479446]
["NEG04984","Gnetin A",196.149,453.144513139056,0,0,0,0,0,54623.0819293711,45023.6002381274,54752.4311459152,100454.225704348,102518.509724937,1,71474.3697485397,16.1251383729694,0.000418349971847113,0.0039312592942692,0.101932118709802]
["NEG03054","Glycyrrhetite",473.38,469.342794978443,58851.1486204135,74734.6585518307,48764.8931712125,57816.6485828352,64753.1287846642,917346.850450068,768812.835103314,929973.492417555,773148.103916721,722374.460365569,60984.0955421912,822331.148450645,3.75321453008624,{"v":9.80254615874352e-08,"d":"9.80E-08"},{"v":2.37649620815204e-05,"d":"2.38E-05"},0.360536301789325]
["NEG05781","Glycyl-leucine",36.9361,187.107691121467,121346.291332979,211313.052909819,141132.063872832,228309.297493283,248676.658128819,880257.364522047,796802.018741661,455464.308455046,975191.17195375,529470.86204636,190155.472747546,727437.145143773,1.9356431351692,0.000842842339450285,0.00653385404568652,0.278812812446141]
["NEG03187","Glycylalanylprolylmethionylphenylalanylvalinamide",454.21,618.307770639319,111188.425893492,177748.5824634,88116.8876501988,163143.523490393,160590.528716023,415113.611955573,337648.928851758,418078.747719216,392931.617875682,476699.710619438,140157.589642701,408094.523404333,1.54185348032814,{"v":1.25639357411275e-05,"d":"1.26E-05"},0.000410207916569807,0.210164724987169]
["NEG03685","Glycinoeclepin C",411.2695,513.257762109117,23099.6875911767,23920.9710856541,4434.79766278472,18205.9226316199,39310.4307780172,76977.3359838459,82685.639972151,77889.9769340363,137847.062062969,169404.325522484,21794.3619498505,108960.868095097,2.32178322932284,0.00223961661442285,0.0137986296367953,0.108358865289815]
["POS07001","Glucosyloxyanthraquinone",44.22845,387.106867599606,389300.578070731,698865.378433634,564773.182289398,667251.678607093,622054.453161067,1101687.88180708,1313591.1579892,1546758.54204996,1264200.59145569,1283586.77552511,588449.054112385,1301964.98976541,1.14570123228982,{"v":4.62795489897199e-05,"d":"4.63E-05"},0.000926121112028584,0.33400991300536]
["NEG05912","Glucolepidiin",34.8203,346.029058372727,65154.7193589367,255700.055067949,359961.014502304,275168.851674274,278149.356729719,1145522.16786817,892941.65772395,653590.68271342,1010326.98736073,572164.10607236,246826.799466637,854909.120347726,1.79227201987111,0.000868068026992021,0.00659384084748124,0.297695982590775]
["NEG05357","Glucocleomin",163.0925,404.063458492554,67613.6854026014,52108.1626528608,76897.182513906,87091.8110184992,48514.0673878908,504395.043066804,335630.061234591,251003.752174951,226285.399931907,262912.771067073,66444.9817951516,316045.405495065,2.24989969154997,0.00120363014122888,0.00837299785648023,0.196838546254776]
["NEG05251","Gliotoxin",167.4525,325.034750767212,0,0,1535.80999990039,1056.39640806595,1544.34604828667,172983.036785429,184169.340007267,156064.180438178,155233.028222912,181616.558494656,827.310491250602,170013.228789688,7.68300241470155,{"v":3.33718552048954e-09,"d":"3.34E-09"},{"v":2.13246154759282e-06,"d":"2.13E-06"},0.168069988948593]
["POS07200","Ginkgolide B",29.0198,425.141018362492,196499.066521745,578954.303354381,665753.798729643,564755.526777503,368992.204409096,962238.222832839,1327611.88646519,1663322.13330643,1441020.30741804,1375028.01741844,474990.979958474,1353844.11348819,1.51108960919617,0.000259546500885957,0.00285413766366585,0.35815073020505]
["NEG04041","Gentamicin X2",387.784,481.25688052802,1359689.28407201,1936607.5985776,1056656.4480718,1758506.01109699,1746504.85710675,3382899.32066584,3098743.62862914,3308808.70537322,3932288.52511862,5314064.83466007,1571592.83978503,3807361.00288938,1.27656386855994,0.000842478258696384,0.00653385404568652,0.570687660511167]
["NEG03081","Genistein 4',7-O-diglucuronide",466.432,621.096149022334,13405.1439301521,284775.97792442,204666.612910526,225165.197084125,43695.3203288176,478245.851636643,507588.122307481,619542.030189464,506814.038564015,674578.837428765,154341.650435608,557353.776025274,1.85246591966252,0.000270577969747749,0.00292341849923111,0.24639107788171]
["NEG05624","Gemcitabine",44.5141,262.069363360927,98378.7462321545,127430.290765958,93411.1109256221,138565.887012085,127150.199414583,318671.952729112,332507.671771636,316610.838576759,463944.122664214,512313.440812257,116987.246870081,388809.605310796,1.73271259443354,0.000203307191291019,0.00243805111701,0.200489829878512]
["NEG06427","GDP-mannose",29.6059,604.069392055813,32146.11541332,22384.2676525072,30173.5530637206,19323.1128981167,40698.8184506435,198281.821833448,344411.245670291,67524.0020670191,363328.736422203,447010.690900059,28945.1734956616,284111.299378604,3.29506150089831,0.00536798841265734,0.0274725539700415,0.176082654471544]
["NEG05319","Garcimangosone C",165.9705,411.140854367248,0,0,0,0,0,814694.030631732,423365.639638808,618595.406943221,452467.027859633,396814.772253897,1,541187.375465458,19.0457686597124,0.000125801225245118,0.001821064338257,0.300210215990881]
["POS07519","Garciduol B",170.348,503.085973092341,135246.161542768,194306.890038772,91293.4072348798,199693.552160965,120621.224420046,0,81205.9011432118,40371.3931002825,39079.0075245391,56112.4482063858,148232.247079486,43353.7499948838,-1.77363063825953,0.00297956309248738,0.0171968693001544,0.120897973260011]
["NEG05826","gamma-L-Glutamyl-L-cysteinyl-beta-alanine",36.5973,320.091723895465,23452.6425711735,78111.0434013536,27464.0569627402,46750.1982791885,64459.0856351667,79193.5696821456,252128.482856685,416829.583142155,285248.586820394,407684.843044595,48047.4053699245,288217.013109195,2.58462506803162,0.00491000659622128,0.0259297042560777,0.176428634900833]
["POS06035","Furocaespitane",27.6501,291.01094380725,310139.138817918,507022.858613261,429272.304684458,391945.514332029,411740.666980395,1010253.35590042,1193348.49777596,1208373.84641229,1376728.45334643,1503001.50917694,410024.096685612,1258341.13252241,1.61774248255004,{"v":1.32453185509474e-05,"d":"1.32E-05"},0.000424904212288551,0.362496418279919]
["POS03776","Fuberidazole",27.67145,185.068111840821,623363.417163689,812669.89936099,881615.454620413,822372.099000161,770942.186845176,1778273.64894772,2677124.95082504,2356674.04182093,3062552.48728922,3388433.8290087,782192.611398086,2652611.79157832,1.76181773977936,0.000167089580444844,0.00214359221739888,0.519765047145761]
["NEG05795","foxidine",36.8806,424.229680925956,0,5741.84636527116,0,68946.6267626265,21628.5624989752,299643.262536283,207223.230590224,58289.2818262041,253701.729750048,91345.7927729661,19263.4071253746,182040.659495145,3.24032591718431,0.00972147234874706,0.0437466255693618,0.145743473850018]
["NEG03930","Forsythiaside",403.222,623.210899871075,0,9409.17733321802,1774.80534576243,4935.51262415479,8300.20669063987,71088.3577305115,35787.2048323162,78847.1329345339,43991.5043096458,101700.472443162,4883.94039875502,66282.9344500339,3.76251997476445,0.000959597929238104,0.00715380256247006,0.0969277157742438]
["NEG05605","Fluorodifen",45.1385,327.023388872586,13808.669998513,35707.1464863668,8149.67771600071,20729.2294284229,37637.081604008,128265.3377334,150216.588294262,71032.8518330587,138016.8664546,114182.057114375,23206.3610466623,120342.740285939,2.37455689463288,0.000181853954651884,0.00227215848926781,0.120509816453478]
["NEG05292","Fluorene",166.2325,165.067696832843,1687859.69547722,1848107.17567692,1490544.77915852,1915356.05363677,2033880.79140179,207838730.114073,129213947.224756,100803674.73248,161255250.720687,109260412.839691,1795149.69907024,141674403.126337,6.30233115752741,{"v":9.63374881112714e-05,"d":"9.63E-05"},0.00151199152393585,4.74201960207519]
["NEG05827","Flumiclorac pentyl",36.5973,422.123630381119,50298.568501073,79821.5832142796,44861.7355554272,6909.26582970563,75337.5238498487,205891.086843342,141218.865691588,258901.38146332,196631.864849181,129392.195373749,51445.7353900668,186407.078844236,1.85733325310796,0.00102258507498797,0.00746686940600581,0.144381668379906]
["NEG06643","Fezaflor",25.66,372.984282329454,204598.309713817,315512.019067042,146314.410168834,241702.156222671,358120.569328132,1260893.62822048,995024.668520804,1400947.12039036,1886893.07583176,2078290.53117909,253249.492900099,1524409.8048285,2.58961950721249,0.000250370537345549,0.00280678549761063,0.436751315927756]
["NEG03277","Fexofedine",451.137,500.275688276813,55988.4484674451,144223.318457131,61694.5854236915,97909.1968034779,100339.034364879,241036.03046394,232509.05458915,231815.777205484,262643.31448271,345734.876540308,92030.9167033249,262747.810656318,1.51348823886729,0.000211437358124359,0.00250200873780492,0.16089905839292]
["NEG04873","Feruloylputrescine",214.8295,263.139796598777,12267.427182154,14904.2994909625,6950.69248985911,22910.0068440372,12136.9131065738,90241.0635147459,57951.2480478539,60196.6266068225,64622.8646402577,50786.3253430837,13833.8678227173,64759.6256305527,2.22689006837212,0.000108759283984038,0.00164351445020474,0.0917818619656583]
["POS06730","Fentrazamide",193.3395,350.136733533328,121482.588084564,390878.676443078,301831.125615574,241361.471572543,257529.113662428,1487658.18831459,948524.404124133,1377207.27219745,765139.869765182,807818.862008359,262616.595075637,1077269.71928194,2.03634951708192,0.000783104795692224,0.00616695026607626,0.36054611866627]
["NEG06198","Fenothiocarb sulfoxide",31.60605,268.103459482735,18242881.5690253,23361092.7819651,15672971.6350284,26077678.2591891,21113090.8700977,79751706.4857762,76029037.475942,69947966.7458196,81314628.1195614,73821741.1265818,20893543.0230611,76173015.9907362,1.8662228606391,{"v":3.87290595949228e-08,"d":"3.87E-08"},{"v":1.36728162465784e-05,"d":"1.37E-05"},3.04114491662864]
["NEG04506","Fenofibrate",301.523,359.103578122863,143152.637537603,190285.817463154,104267.044347528,245469.394528217,160534.518246469,10069.0001060943,7749.5355710502,19790.915814385,23026.1241539049,32609.9484800124,168741.882424594,18649.1048250894,-3.1776398143647,0.000253284207061402,0.00283235064546413,0.149722165514113]
["NEG05175","Feminosulf",179.375,250.03289642238,286583.133726563,366794.149600481,406521.441218406,369956.797192993,322189.94662949,145775.980608549,95205.5702021097,122371.576780712,145381.711974985,156169.271229159,350409.093673587,132980.822159103,-1.39782201332087,{"v":1.52124746421783e-05,"d":"1.52E-05"},0.000459766209962591,0.189430846117312]
["POS06216","Farrerol",201.529,301.104324102348,4541.48942845154,23963.2921827225,4872.77886271323,4381.50256902649,3854.15465509467,95621.1948335473,53527.2229718135,86003.864985522,29653.1460292427,97445.6213372394,8322.64353960169,72450.210031473,3.1218761194523,0.00169424875482529,0.0109831517106283,0.0997208783423465]
["NEG05625","Fagomine",44.4834,146.080864394288,44228.0744112865,83283.4632392297,57706.4645037551,84311.5714953505,98742.363183992,191550.070781795,175471.456375723,205304.42731907,206165.822273797,228214.878600516,73654.3873667228,201341.33107018,1.45079998723744,{"v":1.08417360830851e-05,"d":"1.08E-05"},0.000370864153719956,0.143006841169488]
["POS05258","Fagaramide",175.004,248.131307868768,96039.2682232615,195552.56200927,97470.2181428683,201980.282049889,120248.26944275,18825.6250776801,0,0,0,0,142258.119973608,3765.12501553602,-5.23966942417721,0.000395126034919109,0.00377649306451533,0.142726751045319]
["NEG04931","EXP 3174",200.071,435.134055794202,75081.14217767,121553.833497976,69493.2906686111,86600.8695137524,134662.745444647,26511.049446057,30080.4944573161,37407.6684529141,54804.6385049462,61941.4378478787,97478.3762605313,42149.0577418224,-1.20958184013336,0.00554170985001457,0.0282968814601771,0.0879301742415478]
["POS07175","Euparotin acetate",126.994,419.175594688255,0,0,3653.57147171658,16867.8237494301,0,0,114466.596349685,96942.0980370427,176926.056483067,135868.205592767,4104.27904422934,104840.591292512,4.67492476415005,0.00931029397195851,0.0423651525295731,0.107115947539433]
["NEG05270","Eupachloroxin",166.482,427.118059264803,0,873.943049747787,0,0,0,7358425.25718396,3991864.45598435,5991280.11363592,4661866.98176936,4391994.75283394,174.788609949557,5279086.31228151,14.8823894585153,{"v":2.73862601751817e-05,"d":"2.74E-05"},0.000641354668919309,0.944288782691475]
["NEG05263","Etobenzanid",166.7165,338.033034597787,1705.63304717713,1181.06057364615,0,0,2387.73075692142,2166531.80745366,1406204.2881276,2196282.67200935,1452581.32863193,1292851.18100107,1054.88487554894,1702890.25544472,10.6566841871131,{"v":2.51401869843814e-05,"d":"2.51E-05"},0.000617868441654605,0.535830915213828]
["NEG01247","Ethylene glycol distearate",598.9245,593.551236443183,290319.094255112,378111.293291659,222236.555024025,281475.388005806,282091.443997275,1112286.5768332,768803.787426297,1210048.89073004,856063.609977917,1039787.99763935,290846.754914775,997398.172521361,1.77791035206201,{"v":3.34737295746979e-05,"d":"3.35E-05"},0.000716675249990966,0.345159345480451]
["NEG04450","Estra-1,3,5(10)-triene-3,17beta-diol 3-phosphate",313.691,351.134135702803,54794.8198192666,47939.7535218118,41917.6618223453,53407.5553535673,36971.9575647555,13792548.6745187,6039865.59823675,10221536.8191804,8960729.53430268,7636243.72661082,47006.3496163493,9330184.87056987,7.63290620789004,0.000105686860449783,0.00160795009112884,1.24232718664605]
["NEG06086","Estazolam",32.37685,293.062958824117,47086.0276881847,387672.245723979,435680.525106519,268071.185331374,162628.111785567,581877.100926844,587752.399856243,882352.221933859,922929.541072976,619010.124145565,260227.619127125,718784.277587097,1.46578476233984,0.00225943530429286,0.0138824919177225,0.248286880777919]
["POS07712","Eschscholtzxanthin",176.323,567.421549066557,0,0,0,0,0,1566454.55662212,2348257.09887059,3331500.14188714,2879703.07971292,2059767.75097159,1,2437136.52561287,21.2167556407825,{"v":4.78664626574686e-05,"d":"4.79E-05"},0.000947374723304678,0.617394619097337]
["POS06236","Erythrityl Tetranitrate",199.918,303.002477163242,20534.710811352,133061.878838693,105283.830734249,161723.543378888,55996.5144289782,389158.346535794,450947.752943216,373001.048972024,471803.889286945,485042.409275186,95320.095638432,433990.689402633,2.18681178806176,{"v":8.74805105951069e-06,"d":"8.75E-06"},0.000328823801589843,0.230181334134518]
["POS06555","Erythratidine",184.4805,332.180267632635,6503.8247740671,56532.4470486134,16405.3075893847,53183.2182891018,26929.8185959222,197442.286583942,63179.4088110468,227392.298214121,83114.1406308882,138285.913997735,31910.9232594178,141882.809647547,2.15257754981583,0.0106412519230159,0.0472674477176265,0.126574696085361]
["NEG03909","Ergotamine",403.432,580.242069277334,34089.9755502109,90867.5965792207,41411.1288965149,85785.7809551381,82641.0218623878,226208.671531037,237140.671898725,238193.725745449,301014.925642042,365276.471963691,66959.1007686945,273566.893356189,2.03054158968665,0.000101028999717152,0.00157434722377593,0.176956505150565]
["POS07066","Ergosterol",646.254,397.344958186485,119002.905704648,69244.518741919,16294.9050416983,82348.1412508918,100003.09854933,177155.280438378,216680.735429287,195151.487096321,303582.053962368,443740.864074941,77378.7138576974,267262.084200259,1.78824652609416,0.00658346401677004,0.032324736055996,0.155933812305032]
["NEG03271","Ergosine",451.188,546.281175173082,44210.5923240337,98952.8796296546,61790.8084276723,104710.343274521,73974.4859764981,304700.809259227,282217.37320482,326357.887328865,349112.074185782,436796.339884434,76727.8219264759,339836.896772626,2.14702079052192,{"v":1.73455289592252e-05,"d":"1.73E-05"},0.000506924543068728,0.204479851732075]
["NEG03265","Ergocornine",451.21,560.296493005943,435011.105287118,703135.511599002,468236.648295491,662408.092722274,684828.875698767,1613037.23209469,1533983.02011161,1652465.78236107,1878802.14880151,2317251.52829212,590724.04672053,1799107.9423322,1.60672550122447,{"v":4.75037280054056e-05,"d":"4.75E-05"},0.000944374112747463,0.433522160188417]
["NEG03567","Epoxypheophorbide a",419.315,607.256172132093,159838.150492474,339507.272646185,152861.079116898,279834.515616666,292119.594189621,703839.409764337,749179.895903699,761928.749480074,890797.218681241,1048401.88616728,244832.122412369,830829.431999326,1.76275946970953,{"v":4.2610103651727e-05,"d":"4.26E-05"},0.000870296774585272,0.301467590859992]
["NEG05887","Epoxicozole",35.2401,328.058123204853,2034764.12721024,3094977.38687501,3022289.85466071,3112333.55536456,3045072.50032982,8600041.3902114,6479601.06587126,5614163.73988845,6918361.36679086,4564657.96090169,2861887.48488807,6435365.10473273,1.16905504717053,0.000971063871437354,0.00716760511046087,0.733904928103103]
["POS07480","Epothilone D",413.342,492.272818173518,20600.9090727705,127931.838361446,14875.2138879604,53061.1510924942,99503.5080111874,258667.978485961,327376.181257502,425740.911319968,494647.020363994,581884.333470114,63194.5240851717,417663.284979508,2.72446887091903,0.000431719400643523,0.00400357424585608,0.226928122438448]
["NEG06679","Epithiemycin E",25.2864,391.032180726274,1289044.75983753,1894879.58464503,1749194.67899439,2329995.58047957,1611941.02797194,426018.088629459,444363.353520381,484062.6987089,269371.728182058,218591.651575071,1775011.12638569,368481.504123174,-2.26816395758135,{"v":4.959399513031e-05,"d":"4.96E-05"},0.000960320087523275,0.472001137477005]
["NEG04841","Encecalin",222.5215,231.104198834135,11128.0747527193,24458.7552513524,24205.8536797388,30463.1277982656,23071.1142727454,67616.3509179447,33540.1269939979,46153.6274118916,55551.146491946,47197.6088648302,22665.3851509643,50011.7721361221,1.1417770499286,0.00286155121407717,0.0166446275430002,0.0630660938521174]
["POS07434","Emetine",395.4115,481.310336639001,14929931.2661077,25734470.3150519,14983225.1600047,22993140.6314343,22551016.0664738,61336000.7830167,58031408.3005766,62552073.1297193,73374616.4467995,92518788.4122012,20238356.6878145,69562577.4144627,1.78121923702348,{"v":7.67096761475649e-05,"d":"7.67E-05"},0.00128582754869785,2.75882100141435]
["NEG05917","Ecozole nitrate",34.79315,442.009011212456,51925.4624429204,65741.7226608647,28093.0871429497,55238.1877877576,83297.9002831755,840619.362347789,533741.582677997,301189.725898294,601287.660789316,194625.222139114,56859.2720635336,494292.710770502,3.11989809726379,0.00505873061243666,0.0262091022349769,0.248643961768297]
["NEG04242","Drotaverine",360.945,396.215317462481,182868.896259753,228305.541201583,113484.552107504,185741.91906979,199350.802612938,402708.495958379,417792.732339972,413619.491826027,457362.210245124,641893.443677974,181950.342250314,466675.274809495,1.35887426816795,0.00037907903937737,0.00370107229434822,0.206699558659283]
["NEG06543","D-Ribose 5-phosphate",27.5801,229.011170328849,1282647.53178043,2177225.85446115,1226457.49500523,1453234.152805,2519299.07874185,4258527.57082737,4666179.05099534,5485190.72342433,7568767.29614881,10426247.7654174,1731772.82255873,6480982.48136265,1.90396284749593,0.00361831598356864,0.0201302579533614,0.786831917558584]
["NEG06530","D-myo-Inositol 1,2-cyclic phosphate",27.8073,241.011368138742,141805.575623511,133124.10526328,88455.8759544731,124913.487708417,101079.259772524,166297.059821683,200835.777757919,225208.432962761,318624.77515628,399636.314361446,117875.660864441,262120.472012018,1.15296417544223,0.010994763745532,0.0485964211796092,0.132279826532735]
["NEG03293","Dmp 323",450.918,565.27646494482,16663.5535076868,37615.4209018027,16509.0225359056,21436.0432811469,23162.7457481621,45497.9669353877,75675.1997466882,54968.3297333097,67234.7070345558,97088.8766995694,23077.3571949408,68093.0160299022,1.56102881872333,0.0016600064307924,0.0108341675251253,0.0779098358599448]
["NEG05759","D-Lysopine",37.1533,217.118522283425,156025.119006683,345840.704551498,136564.863334521,313957.530102593,314488.068400729,534927.411472945,481664.370007798,384963.462163113,666265.629066032,666583.331852974,253375.257079205,546880.840912572,1.10995087301383,0.00304964603703257,0.0174885470815983,0.198967951720652]
["POS07420","Diterpenoid EF-D",412.526,475.261028317763,171199.009047229,147248.665486217,90729.4342316215,144051.070986813,101716.153245591,294064.180283174,356598.615832155,361337.613015311,470732.110810411,455481.612832802,130988.866599494,387642.826554771,1.56528377258117,0.000106350304159733,0.00161255901866605,0.198158936313063]
["NEG03399","Disinomenine",435.944,655.307537707608,12082.4605493915,31616.4731755854,22772.5812685891,14350.8833508104,11014.0778682462,54477.1938019333,32103.5184545351,52416.8626147412,33019.6805490826,73294.4925065828,18367.2952425245,49062.349585375,1.41747713426803,0.00727901292699722,0.0349345759897624,0.0649321102587385]
["POS05886","Diphenylpyraline",178.681,282.190088781496,128028.38264896,125608.860317673,61220.2059102055,119553.872856324,108057.734312616,0,9051.91847454638,0,0,0,108493.811209156,1810.38369490928,-5.90517344317927,{"v":2.64610882828466e-05,"d":"2.65E-05"},0.000629237302937047,0.127936175820895]
["NEG05172","Diphedione",179.595,339.103982891553,0,1509.42639752778,0,0,0,228821.76958495,105313.127796987,200947.640941319,215634.456935718,302136.592781592,301.885279505556,210570.717608113,9.44608870082899,0.000158625930819369,0.00206861162844034,0.182045265615972]
["POS07183","Dimethyl 3-methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioate",266.2095,421.257856874342,0,0,0,0,7431.03129267546,32286.3557608221,40173.2835759989,52415.685980221,15161.5040315373,27597.7094431515,1486.20625853509,33526.9077583462,4.49561317229004,0.00104417444725567,0.00755759272261264,0.0698644047336532]
["NEG05811","Dimethomorph",36.6985,386.113713142273,272028.966152437,621567.025409836,371145.33869702,549420.629730677,573307.30841893,1217530.56400535,967187.680928793,1370805.17386882,959472.864018996,1272056.14173908,477493.85368178,1157410.48491221,1.27734655061031,0.000210938825960146,0.00250200873780492,0.329590297191607]
["POS06642","Dimethisterone",439.264,341.242170040874,398776.066014988,166591.155871513,410544.99821228,325926.761376252,294328.151196239,95182.0369523994,64097.9914498356,37494.5027838898,63932.428878545,51087.9864092969,319233.426534254,62358.9892947933,-2.35594227191784,0.00044850012340307,0.0040858269897799,0.197710346335415]
["POS05721","Dikegulac",412.531,275.11439338023,605859.238832872,775481.634593879,259652.062680744,566486.870577184,735088.03883334,1427140.98489698,1174511.66439505,1512356.05255504,1788339.33057264,1761848.2558216,588513.569103604,1532839.25764826,1.38105883126129,0.000189576389520105,0.00233601980805353,0.384497272241351]
["NEG03305","Dihydrostreptomycin",450.3865,582.279101947146,18605.1605481144,26544.9872263935,10607.8515741107,29962.4733601329,38070.2457526974,65281.8440498243,71238.2709199032,37137.4932759395,38245.1422499221,58863.3100001975,24758.1436922898,54153.2120991573,1.12914376515764,0.00830657953748972,0.0384630748148981,0.062354076237482]
["NEG04138","Dihydroergotamine",374.5965,582.269702144171,33430.0479195426,64079.5457972931,31338.5376684017,32644.7260996423,46834.1025436744,134042.592865394,83059.9113174278,141075.716951686,104847.231834002,121454.11156492,41665.3920057108,116895.912906686,1.48830303028334,0.000268391729977235,0.00291387429171886,0.110637808226444]
["NEG02708","Dihydroceramide",511.166,328.293669648422,510455.987061925,663201.514360777,473614.763932997,597737.708559815,652808.26154635,1370374.41858063,1059079.92846204,1308030.8388569,1103852.09869923,1170554.33409799,579563.647092373,1202378.32373936,1.05285189560213,{"v":2.11826396500566e-05,"d":"2.12E-05"},0.000555633032512397,0.324186292859745]
["POS03527","Dihomomethionine",238.705,178.085629658974,1759075.93936336,1830096.36970725,1303217.77890323,1784045.33970807,1641058.8488095,463206.580893416,366399.289529103,366418.161770738,415771.816104648,317320.679595455,1663498.85529828,385823.305578672,-2.10820867662723,{"v":1.18251966922091e-06,"d":"1.18E-06"},0.000103713930988728,0.451218487850253]
["NEG03181","Digoxigenin bisdigitoxoside",454.2975,649.352617024309,4928.59180804948,23587.2405992374,7472.73001306277,19160.9095560299,14783.2609129835,73379.0793093001,81877.6155407723,78036.6355543061,84642.8764881174,102667.126571072,13986.5465778726,84120.6666927136,2.58842049386188,{"v":2.99154946609906e-06,"d":"2.99E-06"},0.00019116001088373,0.10616356492385]
["NEG04272","Difloxacin",355.509,398.139413294217,0,0,0,0,0,68491.1241567983,67367.8459923696,85248.2136587994,82621.5206648389,84007.2565219567,1,77547.1921989526,16.2427869251695,{"v":4.7353636655049e-08,"d":"4.74E-08"},{"v":1.41208544505356e-05,"d":"1.41E-05"},0.113532414827746]
["NEG03822","Difenpiramide",409.3555,287.11873869848,251135.704046167,407764.361592416,272869.13140904,638962.711126903,404972.157119838,26611.7741520619,18948.7752978118,31439.7572127964,47882.2751947145,59621.3313079638,395140.813058873,36900.7826330697,-3.42064354618816,0.000866137480856007,0.00659384084748124,0.229389635599156]
["NEG05713","Diethyl tartrate",37.657,205.070832703135,176761.669371536,538896.51939568,325430.192559985,372410.790389125,298975.768052767,999394.777704081,770041.543219831,852684.848592873,752630.241246972,601139.041339314,342494.987953819,795178.090420614,1.21519513086768,0.000868950019960356,0.00659384084748124,0.264785442217457]
["NEG06325","Diethyl sulfide",30.4746,89.0421365856097,218530.418818523,70675482.7598812,77806548.153554,89528228.4692622,66763218.7034551,613411.946686169,753850.47720944,883259.034735258,782942.771560844,1120820.05792825,60998401.7009942,830856.857623992,-6.19802768419323,0.00496795778823012,0.0260983098586783,2.96001826058826]
["NEG05976","Dicrotophos",34.40535,236.064721002983,52711.1915501555,217097.603394819,114815.026451274,159390.478036965,123634.087807455,625719.754398888,495181.651979684,500931.944756831,732746.842646761,639766.023085332,133529.677448134,598869.243373499,2.1650806188479,{"v":2.09607363220398e-05,"d":"2.10E-05"},0.000555633032512397,0.271515528646912]
["POS04915","Diazoxide",291.112,230.99676689221,207341.285551386,142392.592291403,80573.5909543702,80148.8922886644,182209.953535485,26953.5294335155,24218.1334428058,29602.2874538398,17966.0146876354,48694.8129844662,138533.262924262,29486.9556004525,-2.23208363704523,0.00331068011051958,0.0186978183514571,0.11963158424147]
["POS06321","Diacetylaminoazotoluene",454.784,310.15337110881,2999535.86032681,5175153.84053266,3020583.18502312,4492638.66191191,4540343.70994402,12741007.1344947,12095270.1618673,13042607.5581282,13161168.0047487,15191150.863595,4045651.0515477,13246240.7445668,1.71113918993872,{"v":8.65095459937385e-07,"d":"8.65E-07"},{"v":8.59904887177761e-05,"d":"8.60E-05"},1.23101173265849]
["NEG05783","DH",36.9337,664.111074872386,110928.035259018,185555.511897742,104854.261903047,99001.9085095417,148610.609708912,251229.976268412,250521.789518511,324447.9604665,257867.143934029,449065.269126438,129790.065455652,306626.427862778,1.24030208787846,0.00279085673728236,0.0163950869414373,0.156985829998044]
["NEG01225","DG(22:4(7Z,10Z,13Z,16Z)/24:0/0:0)",600,755.641131506909,251556.486210647,218848.159551775,162781.906322729,188899.311733944,248870.429327937,704107.037831722,573755.945904449,643598.275358172,610601.493457811,564091.602408218,214191.258629406,619230.870992074,1.5315777936716,{"v":1.04485226398002e-06,"d":"1.04E-06"},{"v":9.73671703496384e-05,"d":"9.74E-05"},0.263291327449778]
["NEG05771","Dezocine",37.02185,244.16608852716,44798.9274711638,117644.70566161,128779.935365672,205805.276378316,183204.624643948,456834.622753092,350840.063353532,306047.742141689,482010.737680664,373648.770304753,136046.693904142,393876.387246746,1.53364103266069,0.000340758464389951,0.00341751706550729,0.195681625830962]
["POS07129","Devazepide",29.08095,409.166983833835,294599.246983596,706954.155229848,781463.872563491,676988.416395802,335487.495640534,941064.383415633,1448449.23499642,1505679.07194468,1397460.38858884,1253682.93040972,559098.637362654,1309267.20187106,1.22758482588882,0.000781168409284103,0.00616695026607626,0.322808537641458]
["NEG03578","Desmosine",417.4095,525.282968276813,41227.5644514964,105619.412743474,48039.4656363961,96552.3584072458,94435.3577599046,347222.539189705,325107.647069039,378645.137787408,436506.304520788,684156.383496515,77174.8317997034,434327.602412691,2.49258130329864,0.000674258104137128,0.00555424769761579,0.227656588336085]
["NEG05194","Dephospho-CoA",176.7745,686.141227489268,1777876.4541416,3084549.19649715,2267144.41316804,2574692.83544163,3236219.74377768,6415626.21356863,5164397.32782104,5753394.54271833,5285350.16127721,4710998.0880129,2588096.52860522,5465953.26667962,1.07858169828783,{"v":8.34968307865538e-05,"d":"8.35E-05"},0.001368063458272,0.682598384677583]
["NEG04835","Deoxyviolaceinic acid",223.467,356.103267835675,758262.697938687,1179191.72528181,920363.183835565,1060474.49572357,886398.656596316,2864003.20099319,2755980.57088109,3073108.84993796,3047109.34656633,3405048.86075859,960938.15187519,3029050.16582743,1.65634998760059,{"v":2.83483879873104e-07,"d":"2.83E-07"},{"v":4.62514799469086e-05,"d":"4.63E-05"},0.584292047774658]
["POS06915","Deoxyribose triphosphate",27.6902,374.972046123135,385392.255387575,525767.742724496,441984.580509979,503799.953515389,449390.115192334,1183629.93637498,1504303.15397103,1474030.72275893,1643938.43481858,1881692.4675207,461266.929465955,1537518.94308884,1.73693041816887,{"v":1.54845309359417e-05,"d":"1.55E-05"},0.000464847697157498,0.408429103596088]
["NEG00169","Deoxyribose",706.101,133.049174153183,12688366.2456028,18302614.7301819,13034366.0371277,16992275.4707927,16829677.0550926,45742578.3875247,41217589.962518,58146991.750127,47508753.5746106,60661093.6805901,15569459.9077595,50655401.4710741,1.7019972149036,{"v":1.88017257028029e-05,"d":"1.88E-05"},0.000525625744178983,2.38609344272617]
["NEG05106","Deoxypodophyllotoxin",190.9665,397.126744945585,0,0,4242.83182491683,0,2051.85032050704,110874.243638809,56806.8322428397,126715.433981599,132884.194578046,186329.523679013,1258.93642908477,122722.045624061,6.6070451909074,0.000389084253702378,0.00375890683976401,0.135700791964266]
["POS06336","Demethylcitalopram",454.78,311.150687110456,1099794.49420362,1687181.88561384,911860.040068865,1640098.3951466,1574323.02287809,4436497.32576026,4231633.14888616,4390877.52865053,4707127.76068381,5457173.85422215,1382651.5675822,4644661.92364058,1.74813595058936,{"v":1.94087510526451e-06,"d":"1.94E-06"},0.000144692239097469,0.730646712796543]
["NEG05792","Demethylalangiside",36.8859,490.161027154059,398678.541887086,505783.723277977,270158.442881633,275936.555348473,519493.170932284,216134.02198763,179242.489400132,252822.700070957,142766.248660677,61150.0867079439,394010.086865491,170423.109365468,-1.20911158569932,0.00747734135044174,0.0356189008099317,0.165655617602163]
["POS06839","delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine",191.8875,364.152343897299,424299.553585833,774901.789384659,544963.522239932,561632.122110022,834276.842256957,2086372.93560771,1345664.98089072,1962308.82327035,1330249.05890339,1370663.17914996,628014.765915481,1619051.79556443,1.36627875471379,0.000644014816523403,0.00537489905737988,0.39827023300007]
["NEG03901","Delphinine",403.744,598.307715333442,571717.132609324,778463.073957029,403937.224857317,743978.580953657,770002.931096805,1963176.88793909,2036898.84940486,1878858.54271437,2760980.46274147,4024640.11499987,653619.788694826,2532910.97155993,1.95427280150142,0.00182567772221338,0.0116995078101152,0.507916297262376]
["NEG03687","Delcosine",411.263,452.268426260809,420547.519414082,688915.592772208,396220.887259721,603202.548976299,667413.421594699,1087309.61015483,1075044.3635281,1021732.56199867,1251050.1217239,1968022.36335482,555259.994003402,1280631.80415206,1.20562038459894,0.00462385162785461,0.0247102608499327,0.308443576515665]
["POS05809","Dehydroxymethylflazine",237.5215,279.07530100704,58406.5642332181,100821.67833417,11947.0350537527,17751.8158442159,70656.1266756621,121752.738866205,108008.547243955,159134.056713453,160400.350057091,206218.216387367,51916.6440282038,151102.781853614,1.54126118781846,0.00323507508540892,0.0183402925944665,0.118298686850101]
["NEG06334","Dehydroascorbide(1-)",30.4567,172.000540574157,1146256.7903809,1159283.07288035,733596.172936771,826617.403201142,1202667.16018505,2700752.28915304,2436395.34642099,3332738.40522663,2182762.49381956,3157023.64769145,1013684.11991684,2761934.43646233,1.44607091725408,{"v":7.58870148577657e-05,"d":"7.59E-05"},0.00128091553758032,0.53573328870156]
["NEG03921","Decoside",403.376,545.268515381754,55661.8089377944,134785.839619782,62511.5077295471,107883.087594215,118347.696158206,297403.742227883,359838.120321701,357653.178309268,447531.486119941,558065.096918113,95837.9880079089,404098.324779381,2.07603684465211,0.000202847195113311,0.00243805111701,0.213358425345978]
["POS03084","Dazomet",199.391,163.033593238925,504286.403367314,508077.189609565,526386.070372139,430967.733132978,523542.699618642,246811.595378986,155524.665937902,202367.596864365,190155.846159736,190500.616561339,498652.019220128,197072.064180466,-1.33931010957022,{"v":1.02240369226502e-06,"d":"1.02E-06"},{"v":9.73023769255624e-05,"d":"9.73E-05"},0.221781442692495]
["NEG05179","Dapsone",179.271,247.058326838735,7526.67178605686,1350.17245532124,1381.75757204924,1454.45148903506,5398.65015909534,93174.4280559336,54214.6694037106,74815.1100209095,103148.681974759,125743.170615005,3422.34069231155,90219.2120140635,4.72037939377058,0.000103868542174453,0.00159657728228978,0.116565142642974]
["NEG03292","Daphnoline",450.9205,579.244779172374,40431.3476308443,66478.2889614426,37795.5847885927,48184.5156198002,54682.8061304384,110338.959013312,109940.787180686,87705.1930264579,95583.0820720075,133267.332822305,49514.5086262236,107367.070822954,1.11662836327296,0.000262685079069725,0.00286583014311922,0.0938744999805112]
["NEG03565","Cytochalasin Ppho",419.315,510.291344726972,829269.566923925,1296061.57329489,729643.910065953,1211820.58340232,1131285.00149389,3954282.84613466,3302408.16748238,3677632.70372056,4426756.09378081,6239304.08995447,1039616.1270362,4320076.78021458,2.05500603457453,0.000247420697963399,0.00278712082794779,0.704848066764888]
["NEG05076","Cysteinyldopa",192.171,315.059707386267,636006.246426178,908925.278815107,859350.707961569,1050232.51929706,967808.218374749,4075779.45734593,4785253.18330777,1697180.71750594,4807295.23775498,2031618.90978131,884464.594174933,3479425.50113919,1.97597282088499,0.00503711110741516,0.0262086905255674,0.578067926595921]
["NEG03094","Cyclopassifloside VI",465.887,665.375288174283,17403.2999341521,24940.2099426294,19215.7870764194,32638.9073517769,21665.6940611681,194505.661894088,137227.980188828,156639.541062018,144411.623974255,191692.500078414,23172.7796732292,164895.461439521,2.83104867369149,{"v":2.79841425411029e-06,"d":"2.80E-06"},0.000181410245777324,0.154250279007078]
["NEG05648","Cycasin",42.8745,251.087988680803,5740.11172447498,5289.91276057708,6923.14976885031,6929.81111040577,6161.96170097917,13888.3067391758,6697.37251702288,19467.0707721367,15926.2673540468,22221.8689612397,6208.98941305746,15640.1772687244,1.33282648764289,0.00779115352286393,0.0366947020958209,0.0355566556803847]
["NEG03089","Cyanidin 3-O-3'',6''-O-dimalonylglucoside",466.163,620.102270749832,0,37147.5000649861,24161.0954075097,31846.4522469855,1616.2966169336,57606.310524729,73647.2177184445,95375.1757606062,76076.3084776994,91251.4688608019,18954.268867283,78791.2962684562,2.05551346247441,0.000385595239791274,0.0037332630034337,0.0942537893545674]
["NEG03189","Cucurbitacin C",454.1785,559.317914823284,19538.7903870461,51069.1315378158,12719.5978692224,44972.8088177483,45791.7549453659,155334.432903811,136489.985561253,172831.721546777,140960.97716793,241192.485704792,34818.4167114397,169361.920576913,2.28218702851408,0.000180398312314278,0.0022602847366436,0.144806080540458]
["NEG03990","C-Toxiferine I",398.941,613.355232098017,0,0,0,1061.93462560951,0,46937.598485982,52705.1197991682,29737.8498430592,56624.2149802795,100455.718561898,212.386925121902,57292.1003340774,8.07549746359117,0.00124618465829284,0.00864214570006804,0.0890700098712421]
["POS06775","Cristacarpin",29.57235,355.153395933843,509530.166154349,2689702.18046505,1895919.86641736,2429795.22180407,1287124.70810619,8226431.09640642,4797752.03064836,3899040.29212621,6059582.96145603,6359401.43714028,1762414.4285894,5868441.56355546,1.73542421758132,0.00117742152931799,0.0082685574285473,0.781452542756709]
["NEG03184","Coroloside",454.253,665.340395999004,67393.7822923448,114489.520359069,52026.3675086419,91672.4356318509,87551.8453459881,236919.031890334,236323.99276787,231011.645455012,257828.393358915,302168.001520647,82626.7902275789,252850.212998556,1.61360146365503,{"v":8.24686483877516e-06,"d":"8.25E-06"},0.000315283986528558,0.165697272583254]
["NEG04158","Convolvine",371.132,290.137944633696,31944.4949573433,48912.4539571038,38166.521175344,78563.1323296939,56002.6961563804,0,0,0,0,0,50717.8597151731,1,-15.6302062448324,0.000245397282301931,0.00277889124996592,0.0882658948973865]
["NEG03404","Convallasaponin A",434.337,579.349488726585,41907.6869269508,152490.066773348,66511.4260076452,144214.053493647,121550.858475102,237349.598184783,234092.319214918,257450.72601846,268641.97346228,380517.330072994,105334.818335339,275610.389390687,1.38764787597631,0.00118589845122928,0.00830128915860499,0.155836562354894]
["NEG03115","Contigsterol",460.882,507.328161008722,100311.113667729,396544.094948494,184362.528164938,332416.002374815,317420.77848018,563221.405756875,669890.458045674,544959.693798281,536519.727505165,689942.005186492,266210.903527231,600906.658058497,1.17457124435768,0.000723648301208604,0.00581127262352978,0.219902001268624]
["NEG04278","Coniferyl alcohol",354.873,179.070181821319,787480.170420569,1228308.27677861,1227518.16076267,1530824.33930268,1268906.58317196,612840.358306048,484337.816961708,514290.540173936,443470.926258132,496990.107681322,1208607.5060873,510385.949876229,-1.2436852874389,0.000460881652827832,0.00416469420828059,0.327033610728633]
["POS07646","Condurangogenin C",454.783,541.327369645046,20961.7511435066,118749.815652236,23806.7106262867,124430.310404542,56822.5511049737,829505.347279203,982309.223092362,1073063.52554071,1259071.93073391,1611296.13915204,68954.227786309,1151049.23315964,4.06116672179778,{"v":4.61074485315208e-05,"d":"4.61E-05"},0.000926121112028584,0.408183223252093]
["NEG03272","Coelichelin",451.1775,564.274638920551,199904.134132624,317457.886456335,201319.456726419,272519.50502856,290390.229630768,544841.22297929,507124.370590741,553641.775276793,631124.702842426,710890.443585208,256318.242394941,589524.503054892,1.20161561861144,{"v":5.9944315025147e-05,"d":"5.99E-05"},0.00108065620094617,0.227757395066298]
["NEG05794","Codeinone",36.8806,296.13474476274,1100862.38445501,2070607.40889953,1497282.2563436,4034430.94946309,1651271.42447901,12841094.104527,7901774.75001836,6442050.85479079,9789640.58618648,5268405.8419108,2070890.88472805,8448593.22748669,2.02845959877226,0.00210130776232582,0.0131273039397812,0.975049011127834]
["NEG05137","CMP-N-trimethyl-2-aminoethylphosphote",183.424,472.10190143076,10066.493021164,29786.2893858271,16687.9495424426,20086.8265529412,23717.2762164024,63049.5054114304,54909.3195701622,82154.7706117011,40367.5432369274,66265.4297804455,20068.9669437555,61349.3137221333,1.61208084997593,0.000632012959661001,0.0052939961958121,0.0803184737451448]
["POS06396","Clavamycin D",44.4588,316.149132139378,89440.5808651137,274587.701334193,93382.4118292033,406672.958425057,213600.441859856,604089.582514111,796565.784957443,845617.71202194,1180755.67389344,1002056.36779456,215536.818862685,885817.024236299,2.03907438687627,0.000371939443199207,0.00365645083391221,0.311824179811057]
["POS03460","cis-Aconitate",73.646,175.023164739894,3907881.02769406,4106529.62008468,3979989.40319126,5543309.87311631,3832033.62311765,2014516.9569178,2166056.48480269,2205082.17874702,1877446.40874268,1680442.57924419,4273948.70944079,1988708.92169088,-1.10373746379874,0.000134167949793971,0.00188129542140574,0.591017467488287]
["POS05034","cis-4,5-Dihydroxy-4,5-dihydropyrene",30.8031,237.089463995622,667405.039537106,932997.860805623,566905.382846127,594866.187472142,759891.357747885,1494978.74136925,1616175.11684991,1829846.95664048,1676143.71254863,1627696.36287524,704413.165681777,1648968.1780567,1.22706977886608,{"v":4.02640431941099e-06,"d":"4.03E-06"},0.0002196354453747,0.393737269327972]
["NEG05628","Cimifugin",44.4456,305.105300604788,24444.3689298857,29773.2462851375,14293.1595329974,20776.0920383348,24623.1021762453,184504.179687304,92504.5377643,122870.025324788,114832.705592958,72646.0373298393,22781.9937925201,117471.497139838,2.36634483212429,0.00110889954416091,0.00794049248074172,0.122821316145374]
["POS06444","Chromotropic acid",30.79855,320.97382218863,365774.75962768,856776.552381178,362877.191077779,910062.051357041,881710.372789744,1522998.43174163,1434810.82657558,1622680.90197372,1357445.72290558,1983504.49465594,675440.185446684,1584288.07557049,1.22993476814329,0.000631204651942551,0.0052939961958121,0.370383209302252]
["NEG04275","Chlorpromazine",354.9215,317.092798462578,148834.414047597,187446.309346011,146534.069166154,276789.420822253,218411.25027242,43337.4990374624,33676.7705063501,46919.0614837519,77618.4650161367,73628.7584714769,195603.092730887,55036.1109030356,-1.82947874980248,0.000606194962711043,0.00511605673246509,0.145398117187971]
["NEG06205","Chloroprocaine",31.5807,269.106839407143,1655977.82135353,2131504.07419299,1341547.76558386,2099026.7974877,1786493.44119508,7586522.95427967,7528573.5202747,7015585.6861205,7761446.0072913,7165983.6913815,1802909.97996263,7411622.37186953,2.03946201255184,{"v":3.02701025766392e-09,"d":"3.03E-09"},{"v":2.13246154759282e-06,"d":"2.13E-06"},0.970937875544847]
["POS04705","Chloridazon",36.0467,222.042323548596,0,0,13267.084596821,0,15204.5673526292,409879.056626447,221034.782191272,244683.564561802,158701.039144196,116798.065919494,5694.33038989004,230219.301688642,5.33733878260816,0.00212457208915497,0.0131921046308302,0.18629336492611]
["POS06235","Chlorfenson",89.15465,302.965972360136,0,14384.6045235881,22128.5880933533,46255.9639693185,9390.52198725977,26668.1082701721,92377.7426333129,74645.4566270442,87420.611646582,62871.9493271645,18431.9357147039,68796.7737008551,1.90013331957288,0.00725633614833477,0.034863148863052,0.0771942345984359]
["NEG05291","Chlorbufam",166.2445,222.029480411725,69949.2811009572,104173.933971629,97320.7395211206,112759.853181322,90755.3723857438,2319518.20315353,1384781.75689386,1106839.44631522,1546564.56130624,1244069.66033405,94991.8360321545,1520354.72560058,4.00046063099433,0.000153252015893856,0.00202809546477283,0.478963538984813]
["NEG06638","Chloraminophemide",25.7005,283.956416342626,118160.644438082,144186.81538193,106882.330150042,115427.391848844,179281.822348271,271871.191635108,253197.975147101,269711.499948956,374592.744474533,419255.497108386,132787.800833434,317725.781662817,1.2586595484933,0.000853161176542103,0.00657516211140068,0.161788292396246]
["NEG03677","Chenodeoxycholic acid disulfate",411.794,551.189716417038,0,10113.8912967183,3442.57539956058,7150.7693037277,8835.53647912155,54247.0937147603,26247.1904763291,55899.3485449723,33664.6636958606,65503.4094814293,5908.55449582563,47112.3411826703,2.99522789739981,0.000622852551436371,0.00523860968606929,0.0802633347796684]
["NEG01223","CerP(d18:1/26:0)",600.1,756.64385862944,76694.2672821506,74211.0694413517,49699.4400816858,58245.6264416123,60640.1194414019,353262.150863535,251259.610891529,337340.891689887,285300.195353592,257912.388558154,63898.1045376405,297015.047471339,2.21669098209258,{"v":4.29293713200896e-06,"d":"4.29E-06"},0.000223282648738094,0.199756855543872]
["NEG05814","Cephapirin sodium",36.6946,444.032670623833,201548.058361109,425316.237884324,309843.324654763,450311.711078754,412315.877949137,960186.815579282,848047.306592162,695086.561289942,1116225.78863925,686507.498469705,359867.041985617,861210.794114068,1.25890242112653,0.000689299073626037,0.00563662661120524,0.270001868665243]
["POS07308","Cephamycin C",28.9868,447.122911236887,121010.559728264,410373.43585453,444210.189499374,275306.185176502,209582.289029285,597130.138186959,789544.477071225,943145.57634357,805109.125371664,843430.962735843,292096.531857591,795672.055941852,1.44572870357999,0.000294947781302633,0.00309695170367764,0.270205294135067]
["NEG04303","Ceceline",343.317,303.113680619406,16087.8537929453,30989.7483151962,19640.5781575437,51141.8357189705,29824.5438489281,0,0,0,0,0,29536.9119667168,1,-14.850231382254,0.00130378560113616,0.00897205075981856,0.0653009831245419]
["NEG02786","CDP-DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",502.4675,998.488067462594,11086.5746099849,26165.57183744,13707.1288779977,23821.1467552139,15590.1184197425,91729.2816766491,56391.7851326079,56960.9418866261,57850.4167259204,86315.5578093577,18074.1081000758,69849.5966462322,1.95032732815886,0.000271469507449758,0.00292598338993438,0.0908093662403296]
["NEG02568","CDP-DG(16:0/18:2(9Z,12Z))",519.0335,976.506682949744,2548700.38430473,2977250.3199755,2464159.5014522,2693709.92996838,2490228.71736591,5732238.61181431,4689738.69187141,5017087.07605858,4857607.12881114,6241127.01163239,2634809.77061334,5307559.70403757,1.01034988974345,{"v":2.42706314697543e-05,"d":"2.43E-05"},0.000606494606503973,0.662270731321131]
["POS07470","CDP-choline",34.7979,489.113106931942,226810.756963175,467758.930533256,555490.008466393,449724.702762888,390271.55185943,2096947.28198008,1900682.13336502,2156562.86922922,1933556.03915901,2208502.86465621,418011.190117028,2059250.23767791,2.3005056865001,{"v":3.97204842130005e-08,"d":"3.97E-08"},{"v":1.36728162465784e-05,"d":"1.37E-05"},0.523015676121195]
["NEG06584","Cavinine",26.74195,346.125100604371,124225.412460831,86043.8092651805,69947.778254662,136937.647966458,152490.368072899,353025.86670782,457425.237510028,309919.103383084,530877.115476887,514436.735249316,113929.003204006,433136.811665427,1.92668772571356,0.00012845827989044,0.00184756876511235,0.217351228372942]
["NEG06725","Castamollissin",24.5643,467.0815125834,11997.4789097135,25241.7801990624,25367.7194257408,16691.1746446455,19884.6064939662,39962.5352109439,47829.0091165769,31698.0911855758,52817.1466794192,55096.1292842788,19836.5519346257,45480.5822953589,1.19708945266558,0.000916577031401318,0.0068789413782854,0.0585484374639618]
["NEG06130","Caribine",32.1349,325.161246137162,5077881.48139591,8098951.18805811,6371874.61173338,6161681.83513016,6824762.27587153,12390669.8040486,15464433.5347868,15219457.5140141,17046037.5087187,20284942.4324047,6507030.27843782,16081108.1587946,1.30529565493034,0.000120683198428543,0.00176410440055841,1.19131317721531]
["POS07196","Carbidopa-levodopa",224.528,424.169715281785,0,0,0,0,0,65022.2669475142,27276.4963773303,57805.537635615,49334.686104305,47665.6044084811,1,49420.9182946491,15.5928341973151,{"v":5.33767806888265e-05,"d":"5.34E-05"},0.00100962679925071,0.0907506037241057]
["NEG03561","Canbisin C",419.329,609.213469596774,31464.0025029411,20851.3105883338,4121.84995491076,2862.25360827667,11173.6410698393,210566.186132626,76058.970397273,178934.193122598,100776.513218582,212840.936679442,14094.6115448603,155835.359910104,3.46680700396437,0.00119837919143692,0.00834945502071235,0.149724454442781]
["POS04922","Camoensine",45.5635,231.1443574674,4705.02433812773,6931.28348134974,16186.6382819341,0,0,82444.3314448168,161657.800048866,193001.839037757,275399.826290241,126458.885188615,5564.58922028231,167792.536402059,4.9142595430071,0.00111130543549879,0.00794068564374775,0.149452233164172]
["POS06407","Cajanol",216.479,317.109626520903,0,0,0,0,0,149407.745468593,58642.5571316034,141636.357863671,173489.345052103,162360.014273415,1,137107.203957877,17.0649448503771,0.000147389605674756,0.00197162721797708,0.147191555557919]
["NEG04493","Caffeic acid 3-glucoside",306.68,341.092874220865,63572.3635815121,76698.0630410921,61275.5605816821,90042.162449069,82069.14401777,4866.01472154416,14966.790857126,11894.4173133279,34069.3724256814,34295.7325666182,74731.4587342251,20018.4655768595,-1.90038428824343,0.000147386617451963,0.00197162721797708,0.0938164445132422]
["NEG05798","C20916",36.8619,272.124998832915,107617.374994428,366739.702875533,132191.146970122,386876.926227598,228473.962538597,741393.947046285,620594.389353593,536389.129176876,623567.861788139,449933.462381565,244379.822721256,594375.757949292,1.28225010209097,0.00168423618239177,0.0109499832032535,0.228692006310809]
["POS07747","C.I. Acid Blue 3",34.6015,585.140957743233,151132.631101847,424641.026694958,125264.313027857,188517.879946224,480662.087495006,816305.898548492,562366.469578688,824360.814437471,839549.480939592,1624337.07591459,274043.587653178,933383.947883767,1.7680652789321,0.00958912468227058,0.0433254087917135,0.289871494233804]
["POS04619","Butylate",38.89395,218.15728928635,40003.3502237424,67430.594933709,64068.4411195824,79715.7524087346,176010.111851048,123342.421406284,305051.29082301,273520.856470717,269456.036711821,243977.595720817,85445.6501073633,243069.64022653,1.50829075604615,0.00388801728523452,0.0214176124591798,0.139980134436452]
["POS04504","Butabarbital",246.457,213.120716271421,678802.684161129,939128.470060988,824073.357978466,975696.721445149,765603.462154499,1559887.51154534,1750573.33746778,3014781.72323543,2632590.91585781,2654346.08057273,836660.939160046,2322435.91373582,1.47292379955796,0.000857030037811477,0.006586761785448,0.464470049001933]
["NEG04840","Bromodiphenhydramine",223.1015,332.058754537098,9462.4981877531,12230.501734223,5609.42752175319,9069.93365521816,13682.554019801,44125.1051185014,44499.792533296,47112.06476313,51683.8705170922,74034.4368569007,10010.9830237497,52291.0539577841,2.38498050298011,{"v":8.18841099125614e-05,"d":"8.19E-05"},0.0013465721457312,0.0808062135456146]
["NEG06016","Boc-Asn",33.9761,231.097941789322,3113903.65865055,5513500.39282938,3891731.00686278,4351606.13246689,4622251.87787031,9013175.97927318,8651054.00012019,10315801.4218033,8603752.81298628,10819206.1405374,4298598.61373598,9480598.07094407,1.14111166908498,{"v":2.65874916733964e-05,"d":"2.66E-05"},0.000629237302937047,0.912356192024159]
["NEG03950","Biliverdin",402.939,581.245534544088,9497.21952408172,33995.3367928315,13563.9013986725,34628.5107462038,36673.2429977092,95837.7216854471,58702.4684462087,81981.5355406702,81007.8850958259,102227.123553713,25671.6422918997,83951.346864373,1.70937787867879,0.000278159872971247,0.00295536606128358,0.0956521476271171]
["NEG04549","beta-Cymaropyranose",291.345,161.078844079542,547790.404463483,655290.861201882,385476.285101653,557820.879101652,738918.990261801,173847.280271356,108965.764448573,192534.243374571,215248.411638198,234887.440668122,577059.484026094,185096.628080164,-1.64044142761841,0.000255943304969246,0.00284858664814663,0.242609641462539]
["NEG05250","Berberine",167.5365,335.120523615113,49758.7991828691,79956.7210979671,56273.4459752785,143420.434228722,141177.726453425,329193.357589569,261122.325218485,238367.964210331,301303.295988488,145869.832349385,94117.4253876523,255171.355071252,1.43893262385295,0.00263236458034822,0.015720382867687,0.152419926039108]
["NEG03571","Berbamunine",419.2215,595.26907654739,2209.99093414605,5154.81027116171,5558.6884816176,7222.14031194945,6300.33722917141,46267.8618136918,57156.8394472278,56796.4854587464,59292.1569097537,94073.0184824292,5289.19344560924,62717.2724223698,3.56774317171417,0.000112546879055062,0.00168368625422506,0.0930999239336659]
["POS04531","Benzyl nicotite",228.568,214.085461600862,786602.85131032,1664552.37302779,1123035.95127795,1881115.03122659,1130335.97965915,2786339.72993763,2212301.34796272,2637845.39177737,3582886.33514833,2741253.18330674,1317128.43730036,2792125.19762656,1.08396759864337,0.00113051883685604,0.00803944476511459,0.462037352630527]
["POS00476","Benzene",176.874,79.054161099887,60725.9258353188,124308.725207417,122420.214642394,217774.447153074,119242.2416119,5099837.54062094,2755043.87808063,4233561.74218136,4180312.62636704,2085175.94169286,128894.310890021,3670786.34578857,4.83182865350485,0.000193084526566977,0.00235861709096942,0.758472999188362]
["POS01664","Benzamidine",668.977,121.075908674365,17885026.6448401,5337399.93074665,4785038.46962317,3589917.55818454,15402023.41045,52734889.4070404,27967369.8747871,39110872.6630099,36377496.6790687,38627462.8855153,9399881.20276889,38963618.3018843,2.05141322849422,0.000349440757249493,0.00349140600482065,2.1974790775844]
["NEG06568","Bentazone-sodium",27.26795,261.026297391517,664896.583847436,950563.165530184,585450.23659796,613551.708726281,980730.778288623,1137863.97527986,1304872.64188915,1541719.73288091,1788443.71383438,2253926.40619273,759038.494598097,1605365.29401541,1.08065665498332,0.00417106278218111,0.0226972795920877,0.33144268501898]
["POS07302","Benexate hydrochloride",34.54965,446.185416096032,369311.143094413,441098.052606658,275719.676683408,370436.061594592,625223.642170008,605307.49089596,933049.060477614,904642.480563977,850892.712828047,1277761.98607203,416357.715229816,914330.746167526,1.13489257637866,0.00361670444018494,0.0201302579533614,0.254900444457535]
["NEG03522","Balofloxacin",426.065,388.17727897571,13493.9136442431,13037.9109610228,4672.82087381841,8347.96799522117,3203.8284502789,122529.656607865,102153.195174997,87063.9066409109,94992.856902366,112448.688749783,8551.28838491688,103837.660815184,3.60204417765368,{"v":5.25054245846247e-07,"d":"5.25E-07"},{"v":6.20487680556787e-05,"d":"6.20E-05"},0.126690030233051]
["POS06025","Balfourodine",454.78,290.141796745117,651497.609743405,1088604.86933024,706860.610479776,1139474.75898497,1015633.71299228,3252496.25352043,3209575.70889753,3210502.87577526,3600533.76790777,3796900.11906317,920414.312306134,3414001.74503283,1.89110847324186,{"v":2.49074925075466e-07,"d":"2.49E-07"},{"v":4.45644855945024e-05,"d":"4.46E-05"},0.639778700883347]
["NEG01697","Bacteriohopanetetrol-acetylglucosamine",558.267,748.521546855594,29626197.5631075,38206518.3544442,27703550.6879913,31721225.0722961,22194721.3746355,73463257.5916824,59147608.4062974,62882809.3868949,64810372.5941307,67471710.5816394,29890442.6104949,65555151.712129,1.13302490016822,{"v":8.13908468493129e-06,"d":"8.14E-06"},0.000313845912031876,2.44836183455961]
["NEG05890","Azinphos-ethyl",35.1695,344.031970252793,2225505.98922537,4000945.22320705,3795802.57185342,3964042.97640165,4311179.33272855,13929372.7409417,10144972.6499313,8734657.60138032,11553741.6757034,7015866.75821755,3659495.21868321,10275722.2852349,1.48952323944899,0.000694711574630339,0.00566019102608653,1.00193257180717]
["NEG03146","Azidocillin",456.836,374.093208099566,214907.152811382,319651.06151353,260453.495820582,333504.71331599,326978.20218695,83722.5646237402,109092.006210884,77769.6463596565,130381.755167404,156859.620760608,291098.925129687,111565.118624459,-1.3836234803176,0.000176377415967519,0.00222863328142009,0.17021689372202]
["NEG05347","Azacozole",164.838,298.015880494869,0,0,0,0,0,295143.102364356,164236.415846276,325557.125269471,316471.450081474,265077.654408538,1,273297.149594023,18.0601108875068,{"v":1.3826451090775e-05,"d":"1.38E-05"},0.000430563336239603,0.212613439646415]
["NEG03415","Avermectin A2b aglycone",432.7715,601.325790320604,6843.31020472658,19241.4653333056,11210.1708934272,41366.8723194691,21125.9342030079,96872.2041376326,59398.1508796945,57742.8632723005,73119.8115865215,80552.8860566468,19957.5505907873,73537.1831865592,1.8815392475205,0.000441696482470318,0.00403205788997904,0.0913585397042325]
["POS06201","Aventhramide A",202.08,300.09157537702,0,46118.8903444094,32658.6944964795,5817.97413494574,0,0,220178.917541294,156949.019980795,172826.53490884,194988.783039357,16919.1117951669,148988.651094057,3.13847670231958,0.01067249878054,0.0473122765563485,0.121573292928259]
["NEG04296","Austalide L",345.1575,427.209863019682,47075.1159488167,56121.1242466588,18765.3835078535,49636.3712898533,50264.0898458534,113515.17051477,110347.947965024,102782.578115584,143233.635767709,167046.879545977,44372.4169678071,127385.242381813,1.52146310654237,0.000308713609918386,0.0031890900165472,0.111938218894761]
["NEG06438","Auriculoside",29.3392,449.134355240566,54158.7606386263,209835.462292443,64206.0780395009,191510.20733833,235732.048426904,375237.370635431,546491.784375676,210728.10147425,665325.895851921,417494.505909348,151088.511347161,443055.531649325,1.55209357121314,0.00952757814248645,0.0430929310992593,0.1844179474731]
["NEG03191","Auriculine",454.159,558.31363956664,139788.893686873,281330.076469197,157267.936532888,237047.237338776,236858.023205362,709848.428262498,624689.448698954,647076.340710599,677886.91523199,845912.583590674,210458.433446619,701082.743298943,1.73604940205465,{"v":6.37312654409717e-06,"d":"6.37E-06"},0.000283759536038832,0.282438705838862]
["NEG05157","Atherospermidine",181.755,304.062974916102,161376.119198244,211524.179872499,50704.9406002089,113212.375736502,58054.0542778434,259972.346433278,189401.53077373,289487.118095651,227814.781330501,358218.307842002,118974.333937059,264978.816895032,1.15522665366872,0.0083051635554714,0.0384630748148981,0.144859552828529]
["POS06891","Aspidodasycarpine",178.647,371.202383113555,14812.0470245391,16656.6066094465,4768.7912737259,13404.0566726578,10180.4677005989,0,0,0,0,0,11964.3938561936,1,-13.5464596880168,0.000438305004306308,0.00401568306426981,0.0410752118173173]
["POS05545","Aspartyl-Methionine",37.2763,265.084295054282,1712107.04908485,2666719.08914856,1933144.83515359,1897814.96074294,2477934.39158961,8938398.83587351,6547799.60548069,8046654.58925904,5929591.43263882,7296799.44121768,2137544.06514391,7351848.78089395,1.78215293110544,{"v":1.50824818984521e-05,"d":"1.51E-05"},0.000459766209962591,0.937503469258935]
["NEG05109","Aspartame",190.5675,293.11397529803,16797.8333699196,12736.0697444185,1554.26382817532,1417.12296844033,23297.8710781186,735849.562770482,634383.366304162,819823.441350596,811583.168219326,1045287.05577332,11160.6321978145,809385.318883577,6.18033602422993,{"v":2.50256608251095e-06,"d":"2.50E-06"},0.00017683256396553,0.361174710245211]
["POS05841","Asparaginyl-Phenylalanine",199.666,280.128186660661,20738.2520331028,175486.020730003,92222.9761779333,150083.271718266,89421.9348343415,256209.910637099,274460.529601761,263796.299205267,335010.71385437,433720.692323086,105590.491098729,312639.629124317,1.56602074165821,0.0012982631812735,0.00894781388264466,0.169296968416673]
["NEG05796","Artomunoxanthentrione",36.8806,443.111667678458,14702.7957136117,72163.3075371789,52512.4398668621,58911.3534933654,43397.8006856271,361227.166764341,252351.479299894,157492.489815546,190815.576645543,107375.481643848,48337.539459329,213852.438833834,2.14539971807646,0.00607334026427306,0.0303192533505506,0.15278616383448]
["POS01123","Aromatic aldehyde",177.142,107.049157179272,144311.891555575,515142.237118784,437159.484606892,290730.247232959,481720.483299451,44003671.2192847,38655682.050293,45018049.4762478,47614048.1257389,26219726.7529294,373812.868762732,40302235.5248988,6.7523998199079,{"v":5.99116572649925e-06,"d":"5.99E-06"},0.000279150878069075,2.56499546630371]
["NEG01981","Argiopinin II",541.945,743.486747551384,2822017.73802891,3778711.78396374,3483395.5514814,2679008.35603725,2333271.79311971,8272914.88457066,5785606.86425742,7695953.16684134,5924623.04915792,6535330.50368892,3019281.0445262,6842885.69370325,1.18039979435668,0.000132033153678923,0.00188129542140574,0.794249967174132]
["NEG04584","Antirrhinoside",284.917,361.119266153358,392197.308224622,439565.78930414,381615.502600116,635638.106438635,432020.767331633,64567.7811311952,39555.7274383275,69605.8146738522,99483.5216849404,83686.4367598629,456207.494779829,71379.8563376356,-2.67610124521271,{"v":3.8600455161865e-05,"d":"3.86E-05"},0.000795667446723605,0.246361191863387]
["NEG03887","Antibiotic JI-20A",406.1535,480.272840317798,108677.382523927,287261.763617978,97117.8212259622,299867.576672529,297717.339865241,540197.064624775,377315.549069095,499930.707043933,572194.456167288,619558.640800351,218128.376781127,521839.283541088,1.25842808745599,0.0012608740289785,0.00872901756707413,0.211797364863332]
["NEG03644","Ansatrienin A",413.6585,635.3372875566,77938.2165839824,151706.694155527,62797.5264232811,141053.900185379,165150.207436061,239175.798174857,208176.328115169,228174.406535797,248216.628016505,327307.307691526,119729.308956846,250210.093706771,1.06336363244501,0.00201456177941753,0.0126738886629179,0.136164245109846]
["POS05882","Annolobine",443.275,282.114083193631,1173694.60902621,1238921.07697544,890882.628773105,907672.707329898,1195743.83872278,0,0,0,0,0,1081382.97216549,1,-20.0444461138549,{"v":5.30316590900617e-07,"d":"5.30E-07"},{"v":6.20487680556787e-05,"d":"6.20E-05"},0.419853719021805]
["POS06746","Aniflorine",265.179,352.164273796074,0,16291.6497925102,0,5078.30163258106,11226.7361025161,81703.2923806457,102178.320981306,76622.4205673598,140429.770262713,172483.827165017,6519.33750552147,114683.526271408,4.13678899454541,0.000394756653365766,0.00377649306451533,0.124532572413652]
["NEG05734","Angustine",37.3895,312.108592702057,54659.5845956645,72151.1967395578,36605.7798123259,69994.5887593414,49870.2852266121,96291.7239473745,108318.415707058,80452.949282528,140113.028835428,164957.679278935,56656.2870267003,118026.759410265,1.05880602636104,0.0061498027450755,0.030629531895131,0.0884064349037347]
["NEG04500","Ampicillin sodium",302.618,370.08297716247,143866.869034727,179823.561356339,119601.79226835,170656.144225929,187749.049667797,46558.3040420728,49151.0986804082,58834.8514398789,75509.4849072533,84298.2748779893,160339.483310628,62870.4027895205,-1.35067681919067,0.000155852388562949,0.00205037568835903,0.123187138241938]
["NEG03188","Amphibine B",454.1885,664.344484944724,26694.7049646356,83873.8739608832,25731.1144854892,65641.1907049756,68516.8021165611,199917.843667549,183206.559162496,172140.549715723,224807.952463279,252686.336922923,54091.5372465089,206551.848386394,1.93302916696098,{"v":3.85753463028296e-05,"d":"3.86E-05"},0.000795667446723605,0.154664786791745]
["POS02199","Amphetamine",198.622,136.111685618294,247313.146342842,1357543.70735301,342971.51400997,514210.862971397,268817.210538797,1628990.03736374,1651898.72334811,1711707.52367615,1650849.12454679,1513708.92272575,546171.288243203,1631430.86633211,1.57871247297762,0.000873826308038242,0.00661104770003753,0.404418222353082]
["NEG04019","Amitriptyline",392.138,276.171785107986,61143.0354475891,29733.9553842499,10382.1349327308,10407.6406986128,16334.5295790575,100889.276580809,102782.706419177,94909.3240494813,87771.970458598,94244.9010920579,25600.259208448,96119.6357200246,1.90867276295102,0.000101528225823068,0.00157434722377593,0.107836937247667]
["POS05694","Amidithion",290.725,274.038836015461,189344.491826479,117248.925677127,134196.729863649,143846.114734173,163437.443533123,32750.1963123087,8704.10861836843,28270.9764461514,12464.5308500683,9031.63615729666,149614.74112691,18244.2896768387,-3.0357354397426,{"v":1.00154994339138e-05,"d":"1.00E-05"},0.000361096319713583,0.143187637345705]
["NEG03093","Ambenonium",465.896,535.273092127708,6818.21090573181,0,0,1526.95170816164,1479.82616082148,44270.6903022353,37460.0464717812,45019.9076456908,45251.5089511862,76644.5273810925,1964.99775494299,49729.3361503972,4.66149760308103,0.000133944526913499,0.00188129542140574,0.0861807309606662]
["NEG02738","alpha-Phocaecholic acid",509.044,423.272760857654,7440.39674767851,10094.6008547375,8318.33605417251,10497.8273357771,13306.857097557,75041.3631174282,64707.1555405649,72793.4088689862,82868.9170044308,86345.6067387644,9931.60361798453,76351.2902540349,2.94255394909478,{"v":1.6012446425792e-07,"d":"1.60E-07"},{"v":3.25562149375308e-05,"d":"3.26E-05"},0.104762315894538]
["NEG05723","alpha-Methylstyrene",37.4662,117.073510984741,1418844.52000533,1701150.14716805,1165628.74354236,1804696.9039961,1535943.6248027,4205653.79561813,3843322.72586155,4181672.9155403,3557914.88414658,4092657.00748319,1525252.78790291,3976244.26572995,1.38235801852993,{"v":4.34655277852519e-07,"d":"4.35E-07"},{"v":5.93511811666695e-05,"d":"5.94E-05"},0.64655972656657]
["NEG04236","alpha-L-Rhamnopyranosyl-(1-&gt;2)-beta-D-galactopyranosyl-(1-&gt;2)-beta-D-glucuronopyranoside",361.152,501.158646901968,267570.779002838,415110.338879819,311255.986176108,302386.681605663,352417.435965086,1050147.69678618,819009.402003392,1021198.98438761,1258270.52757432,1550626.11182933,329748.244325903,1139850.54451617,1.78940778950475,0.000209441464879425,0.00249813633341596,0.350265146336059]
["NEG03938","Allosamidine",403.206,621.254180129102,2255.65100975811,8871.68607156957,4275.15179539344,2717.97195058634,9877.35345412953,52899.4387577703,40755.7327565656,52003.6563688677,49134.1077555358,67662.8668632695,5599.5628562874,52491.1605004018,3.22868838458783,{"v":7.79306281179613e-06,"d":"7.79E-06"},0.000303982997449985,0.0873646478837497]
["NEG05812","Allocryptopine",36.6961,368.155889909571,7968.04810106667,31499.5774581686,24570.2126979539,33363.8580892234,39079.057822035,221377.492915964,163514.999758996,120160.000584721,186034.04340707,126447.192865938,27296.1508336895,163506.745906538,2.58258073019938,0.000118474502749659,0.00174820803184603,0.146416621877484]
["POS07393","Agnuside",494.621,467.148918966717,127265.12434203,95606.5401932126,54052.3594983123,70359.5626338337,82523.0366676115,15641.3917302958,0,0,11993.9341794521,9291.14399180298,85961.324667,7385.29398031018,-3.54096045949962,0.000276761609207464,0.00294751113805949,0.106159928239114]
["NEG05098","Acutumine",191.711,396.123151996357,115902.053317369,183842.051184057,124006.053598459,150053.314186658,225382.743754236,1402677.7515285,1035649.11687031,1463817.97709755,1354762.68996772,1342018.47266931,159837.243208156,1319785.20162668,3.04562763573247,{"v":3.68773922131926e-07,"d":"3.69E-07"},{"v":5.32105081837453e-05,"d":"5.32E-05"},0.442321409137763]
["NEG03648","Acidissiminol epoxide",413.653,408.223331920544,267451.007955661,234325.208012852,125625.295077222,169870.192995756,334338.894275593,493479.280950953,275861.609981978,573332.612695319,583517.286043463,732545.568357747,226322.119663417,531747.271605892,1.23236313199134,0.00629777590922203,0.0311614509313608,0.204887446532074]
["NEG03358","Acetylbrowniine",444.772,508.303921551655,178439.82685575,315369.229075561,164229.675022293,294282.964390607,274664.34384056,904064.912197651,869358.785030461,997471.070791572,1069071.13439518,1481251.33377966,245397.207836954,1064243.4472389,2.1166374681582,{"v":9.56871652476983e-05,"d":"9.57E-05"},0.00150707285265125,0.355433454920124]
["NEG06429","Acetamiprid",29.48965,221.05946562093,550037.106667008,643697.31256011,532468.303593998,516880.746127901,612081.101796634,3269792.62981014,3991361.91796536,4100496.86457116,3789247.7719894,4771733.34553705,571032.91414913,3984526.50597462,2.80276248477207,{"v":6.67863331794672e-07,"d":"6.68E-07"},{"v":6.94733182120365e-05,"d":"6.95E-05"},0.744706637380477]
["POS04850","9-Hydroxy-2-nitrofluorene",37.0069,228.065975108296,194275.386131977,257518.911269139,202662.799007119,162883.204848344,317220.459611807,867363.660754058,999467.903867888,1240319.15719729,666064.140383621,1137734.08321511,226912.152173677,982189.789083593,2.11386795031456,{"v":9.09959294788354e-05,"d":"9.10E-05"},0.0014536599734244,0.34648708315393]
["NEG04585","9-Aminocamptothecin",284.8765,362.122756400379,66217.5777449376,91610.1369287387,72229.2016875392,126046.657500976,93032.2634171216,5153.47751562388,3093.82180651831,7670.88987886919,8630.17621607713,9507.87571354257,89827.1674558626,6811.24822612622,-3.72116072650618,{"v":4.87232519437046e-05,"d":"4.87E-05"},0.000960084167155024,0.114605211075473]
["POS03700","7-Methyluric acid",37.0999,183.049487173487,266415.728592674,416364.170029073,373824.635020974,493801.154834789,473297.63146982,4830076.52578538,264618.17796091,3693947.26560926,4267405.80578501,6451603.69529819,404740.663989466,3901530.29408775,3.26897039420847,0.00897178789729683,0.0410755447948912,0.687767742017792]
["NEG05198","7-Methylinosine",175.668,282.092176712149,5558.50172995662,29136.8171649235,16670.0389830913,16760.2720536002,25801.9019292505,45342.6524529284,65249.0881083958,38625.5632611997,60733.8004549602,56128.2720262086,18785.5063721644,53215.8752607385,1.50223668700316,0.00067590022417617,0.00555753989474266,0.0686875147997247]
["POS06334","7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one",185.599,311.12260608946,326654.599380866,436631.990699365,312410.397705332,325247.514634473,429171.255745651,906719.880137108,844344.921782384,870355.416392101,1164779.05376169,1200376.07875102,366023.151633137,997315.070164861,1.44611444602476,{"v":5.38993491264178e-05,"d":"5.39E-05"},0.00100962679925071,0.311791124272814]
["POS05596","7H-Dibenzo[c,g]carbazole",186.7065,268.117013663931,3616.56697151276,0,5459.09141560708,6123.53754587861,0,16967.6523158754,13416.2919954477,45466.8087885041,39401.6922756989,32442.2353919552,3039.83918659969,29538.9361534963,3.28055095886357,0.00316545195976136,0.0180370275363217,0.0606290107431368]
["NEG05324","7-Chloro-6-demethylcepharadione B",165.917,340.033141035632,0,0,0,0,0,890088.649352535,609265.266320521,833083.436086843,371507.202808255,637498.276199955,1,668288.566153622,19.3501116655555,{"v":8.61131802875422e-05,"d":"8.61E-05"},0.00140067001973155,0.333865210533201]
["POS05927","7-Aminoflunitrazepam",303.145,284.117233453465,107516.059894067,125696.92426699,115365.260729642,281392.990757634,79483.5406855512,32052.8050675954,6604.04064695568,16044.3990233119,24259.1715470372,27815.1174353705,141890.955266777,21355.1067440541,-2.73212961434971,0.0101006099416323,0.0452390659734215,0.122386210064898]
["NEG01236","7',8'-Dihydro-8'-hydroxyreticulataxanthin",599.753,489.342904366127,57248.7344691795,258001.862663465,149692.847142939,319233.443097662,256988.854187587,377966.10337826,582345.468266322,532038.560145096,693419.020333091,687935.055920539,208233.148312167,574740.841608662,1.4647118247355,0.00116115283236729,0.00820511314246271,0.222370485474054]
["POS07143","7,11,12-Triacetoxycoumestan",89.95675,411.080062061961,12625.4273470976,3921.18356192369,22844.1714615987,33789.9670334532,0,10573.0519735143,148157.044385484,124001.702850604,126466.240188374,97716.625826073,14636.1498808146,101382.93304481,2.79220680750189,0.00819766936018818,0.0381166060791286,0.100966797709709]
["NEG03559","7(1)-Hydroxychlorophyllide a",419.425,629.237676067571,2286.46908246116,13609.6436090954,3482.34078986832,15254.3752736048,15850.0192862693,57868.6317407875,46270.5500676904,49453.849291881,58362.1537418058,77735.5061821975,10096.5696082598,57938.1382048724,2.52064811667749,{"v":5.87635215339273e-05,"d":"5.88E-05"},0.00106849281228153,0.0866652741318982]
["NEG04004","6'-Oxogentamicin X2",394.021,479.241202530162,63469.5282873515,110776.310353405,59919.3270315391,107120.239233666,103636.440937125,263386.307606232,195189.616765071,274240.625650386,254940.583866292,341109.535778102,88984.3691686173,265773.333933217,1.57857251842345,0.000132530129117678,0.00188129542140574,0.167264146432342]
["NEG06680","6-Methylthioguanosine monophosphate",25.27205,392.03557090212,199822.579689402,215555.000008618,255200.625964432,298773.613368403,208844.537147337,53301.3175033909,34048.2312905233,38511.6305815252,13168.5300635378,8304.10297977671,235639.271235638,29466.7624837508,-2.99941953105216,{"v":7.27282482183396e-06,"d":"7.27E-06"},0.000300166095255187,0.182522738364494]
["NEG06689","6-Hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid",25.1384,406.991898281092,377216.005597268,634818.429604993,560530.120233135,748653.056731197,559758.363968035,115691.984592964,127902.828369623,113452.721959738,45344.2799589348,32333.6155311026,576195.195226926,86945.0860824725,-2.72838123275669,{"v":5.86196039555171e-05,"d":"5.86E-05"},0.00106849281228153,0.278746415982507]
["NEG05832","6-Epi-7-isocucurbic acid glucoside",36.5832,373.183744418091,37181.7020408207,229942.304664038,132182.772495522,238796.446559115,88645.7160508447,454495.810142331,420103.012834702,564498.467090789,408256.92199937,465025.468572675,145349.788362068,462475.936127973,1.66984932943646,0.000169591657517201,0.00215945986701318,0.224103414264306]
["NEG06069","6-Demethylsterigmatocystin",32.3889,309.036885448239,347263.494497313,911961.55002967,658236.806837855,613890.141243736,427655.674257383,1634270.52267762,1175524.01148424,1663436.23685657,1565752.24518156,1578134.6225576,591801.533373191,1523423.52775152,1.36413174226236,0.000109997895979932,0.00165663497884928,0.385296367896893]
["NEG05301","6-Benzylaminopurine",166.2145,224.092125607069,1336.72770333031,1066.29145452546,1420.95539787173,0,1034.6979685099,167466.520495735,99290.0357649154,116847.475394314,149679.045236353,160993.754222155,971.73450484748,138855.366222694,7.15880501975831,{"v":6.07190924165316e-06,"d":"6.07E-06"},0.000279996392143449,0.150814991539261]
["POS07159","6-Amino-6-deoxyfutalosine",199.661,414.131503462994,45572.4486362407,124891.519954568,82337.9769971739,42762.8803861959,34582.345863987,584914.992651416,561576.056318825,553956.82791115,621576.081874481,693697.246306583,66029.4343676331,603144.241012491,3.19132186921415,{"v":1.12661654092656e-07,"d":"1.13E-07"},{"v":2.39969323217357e-05,"d":"2.40E-05"},0.297485092270847]
["NEG03676","6-{[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid",411.8985,550.187094920752,52135.8287982048,27982.8036260323,2924.07398709375,0,14112.8555619123,235372.722121787,113778.165133799,267840.669656876,86226.9146464104,234935.866806463,19431.1123946486,187630.867673067,3.27145678915177,0.00212501859381151,0.0131921046308302,0.16251582604063]
["NEG03899","6-{[(16R)-5,11-dihydroxy-8,8,10,16-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12-methylidene-9-oxo-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid",403.852,679.307571723698,21588.3359405998,46182.6143127907,22239.1403300015,46570.3852237546,48314.0666852032,110525.726768745,126031.347770892,124698.136829719,170181.334762771,227935.841375124,36978.90849847,151874.47750145,2.03810489873243,0.000885860031831999,0.00667079448212884,0.127089551209761]
["NEG05282","6-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}eth-1-en-1-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",166.329,532.175917625986,0,0,0,1071.23271489662,0,1155171.35495588,442685.829731128,1025751.50483649,679254.257335513,673734.744428636,214.246542979324,795319.538257529,11.8580469724514,0.000276498201496795,0.00294751113805949,0.362127642483991]
["POS07062","6,8-Di-O-methylaverufin",222.5785,397.124255781092,85264.8992546697,224689.151544688,150799.953889203,222335.247524015,202801.548598489,6917.46838003675,0,8619.79766069855,23468.8290931206,5711.5283634619,177178.160162213,8943.52469946356,-4.30821345236401,0.000240658488394897,0.00274240327213542,0.162308530179919]
["NEG06498","5'-Phosphoribosyl-N-formylglycimide",28.0731,313.044021740586,43717.7898580923,20516.6684185439,26269.3748103068,54443.8710671328,98932.743708553,128397.750127119,152194.839587737,84122.5141375673,188888.035146765,112930.395298975,48776.0895725258,133306.706859633,1.45050336080563,0.00565485506871821,0.0287107454283502,0.102843420390197]
["NEG03416","5-Oxoavermectin ''2a'' aglycone",432.746,599.319911185763,561484.98142295,770612.375883941,587548.176847264,947862.961470564,789962.693234645,2029964.29028393,1523143.46199152,1620988.90399358,1996605.34496974,2347734.56466601,731494.237771873,1903687.31318096,1.37987812583958,0.000103796191425766,0.00159657728228978,0.428679776764101]
["NEG05299","5-O-Feruloylquinic acid",166.218,367.106039926378,0,0,0,1272.91464020364,0,824101.698447944,339516.785032471,635083.045894451,440736.787950615,419192.205330972,254.582928040728,531726.104531291,11.0283319029493,0.000304021759107324,0.00315136496821521,0.295995682093101]
["NEG03663","5'-Methylthioadenosine",412.877,296.085098281333,101105.240319057,276090.765382873,299263.329310922,240000.591522904,148190.098805501,646028.803709449,515075.281624159,688999.334594707,510528.593982589,775950.134743572,212930.005068251,627316.429730895,1.5588140863128,0.000188661214990486,0.00233116468136034,0.25362352912442]
["NEG05818","5-Methyltetrahydrofolate",36.6632,458.187705202063,472873.809828384,608867.801552569,281077.657115929,673827.422751019,478519.441883531,973590.004422175,818550.26991528,1125563.46255888,848136.091896371,1367476.83064133,503033.226626286,1026663.33188681,1.02923756210987,0.00257749594325609,0.0154753548378315,0.279065869701515]
["POS05131","5-Methyl-2'-deoxycytidine",37.3763,242.112562421214,916367.06735437,1256745.77521995,880856.011869017,669006.751148028,1317139.5897373,479574.038029512,178960.291135178,230589.552274489,139287.042190005,83380.2236308356,1008023.03906573,222358.229452004,-2.18057090824602,0.000500071449955143,0.00442505503527985,0.338993760082289]
["NEG00182","5-Hydroxypentanoate",702.913,117.054200106795,5872536.7260298,7607540.12100014,6751897.45770919,10336019.8085327,6930067.27364296,25720453.5393691,18560849.9914587,21805229.1956855,21073397.3613801,21787731.770435,7499612.27738296,21789532.3716657,1.53874731817019,{"v":6.46701235267864e-06,"d":"6.47E-06"},0.000283759536038832,1.55013213752652]
["POS06611","5-Hydroxymethyldeoxycytidylate",32.6297,338.074968320622,5015112.93879209,6106699.21784141,4506583.20606852,5206315.77991498,7738234.17313998,1520023.90492369,3005147.48258371,3010071.83237898,3054223.86279569,2696187.00279033,5714589.0631514,2657130.81709448,-1.10478050077317,0.00137563515542592,0.00933720189714743,0.679186860022939]
["POS03853","5-Guanidino-3-methyl-2-oxopentanoate",37.009,188.102447867027,1135484.62240274,3438123.35765629,2378163.69070608,2679994.96222793,2022523.04714766,4978345.18255404,5554316.85151996,6722168.5767944,5290362.99770033,5983935.15246304,2330857.93602814,5705825.75220635,1.29157461373045,0.000117803791996781,0.00174482238940927,0.72245496041077]
["NEG05864","5-Aminolevulite",36.14675,130.049496066361,418285.672686839,550971.606178763,308354.216273099,302742.130488655,406877.278320284,1238923.77634567,1097081.38696975,1164185.34006168,1273464.04360935,1458436.31556252,397446.180789528,1246418.17250979,1.64895675316391,{"v":3.72726427186034e-06,"d":"3.73E-06"},0.000216520169974433,0.373489907398413]
["NEG03284","5,9,11-trihydroxyprosta-6E,14Z-dien-1-oate",450.942,538.248865933024,37841.6658822746,74584.0637586854,45963.0057237068,81700.6227335136,63539.4795127427,152334.560991575,142878.436375812,156898.769679551,168054.764473409,164766.110122543,60725.7675221846,156986.528328578,1.37026003619508,{"v":7.38168354081613e-06,"d":"7.38E-06"},0.000300166095255187,0.124842466463723]
["NEG06642","5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene",25.6707,333.026712127942,527565.742520719,1205255.30787849,905749.984482471,704720.711223647,1082241.75210148,323829.62380843,455058.289393833,503224.011099479,366477.02147529,305101.1961914,885106.699641361,390738.028393686,-1.17964971064657,0.00494142272074426,0.0260035103881048,0.265604540878321]
["POS04260","4-Sulfobenzoate",189.564,202.996334945167,9889059.60287062,7328480.2937396,12184339.7619328,15913336.3120489,13511004.2552078,2770360.72198267,2765526.80530165,1721557.59579965,2046976.34563067,7987981.31237381,11765244.0451599,3458480.55621769,-1.76632099589587,0.00217797464552092,0.013474523636812,1.1084472158404]
["NEG05996","4-Imidazolone-5-propanoate",34.2354,155.044835059794,643760.738954079,1476246.84315125,1381003.83630489,1265504.40738867,1030715.90803166,2786893.49189735,2803559.44953034,3071947.49161242,2032449.29243153,2523973.32346844,1159446.34676611,2643764.60978802,1.18915766977861,0.000199241081567763,0.00242175368981686,0.4815369962457]
["NEG05645","4-Hydroxymandelonitrile",43.7216,148.03935100207,563795.746544748,912349.781893973,33195.0428809857,34180.5695687176,45214.6232766675,1058963.55176482,1057277.83294307,1446811.02365893,1668409.46615458,2641618.24522414,317747.152833018,1574616.02394911,2.30904896171735,0.00631787785800613,0.0312263731037143,0.409361450217901]
["NEG05328","4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide",165.737,433.135104341216,0,0,0,0,0,336906.731364583,105812.793755702,318213.524203583,219298.005769764,173364.563331843,1,230719.123685095,17.8157780645097,0.000731596884540041,0.0058540838364,0.192820901346141]
["NEG00668","4-Hydroxy-4-methylglutamate",673.0475,176.05656417847,353504.132545768,481959.891469392,375115.525100055,463500.310490119,475212.847955453,1990409.29955928,2224423.59094221,2208286.61668115,2035445.90766946,2773185.93110276,429858.541512157,2246350.26919097,2.3856490232154,{"v":1.32679387927272e-06,"d":"1.33E-06"},0.000111976396641262,0.543371931109239]
["POS06990","4'-Demethyldeoxypodophyllotoxin",134.887,385.127444049935,7428.31179166732,0,28834.5075383896,16075.1903961406,0,341970.37306583,291011.405992582,352592.621277757,255486.521892539,220751.306968819,10467.6019452395,292362.445839505,4.80375513416448,{"v":4.19788835254744e-06,"d":"4.20E-06"},0.000221931529574693,0.217695409195222]
["NEG04016","4',5,6-Trimethylscutellarein 7-glucoside",392.5915,489.135407994053,64940.3797682501,65842.9386672143,47732.8882408984,75918.1207750013,91466.3181076807,3094.67684085086,9101.79872992009,8896.41604173639,8495.68397568227,19030.7324482588,69180.129111809,9723.86160728968,-2.83075644044737,{"v":5.27353011326435e-05,"d":"5.27E-05"},0.0010037659658141,0.097065780981012]
["NEG03326","4-(beta-D-Glucosyloxy)benzoate",449.122,299.081902393506,289449.752529791,390562.653179083,324547.589618509,558056.34090478,378716.226880668,135995.725829679,212748.723476383,155288.370629444,189051.110110469,200417.213810368,388266.512622566,178700.228771269,-1.11950580111607,0.00251372303491069,0.0151944366691291,0.174142367205182]
["NEG04609","3-Oxo-carbofuran",279.895,234.07663088334,47095.0255162529,57428.9754021398,73134.9999266289,134475.356817605,51064.2840353837,33684.9066174525,15467.2971629598,18491.0701447427,17950.4416931484,1274.23173128294,72639.7283396021,17373.5894699173,-2.0638629543933,0.0113120655063452,0.0498020364270491,0.0828971844516629]
["NEG05385","3-Methylguanine",157.634,164.056508027209,7734641.52873044,8953901.45018826,7074072.54096269,9553345.37078882,10110414.9211823,1443254237.06651,896122114.476705,1362495234.16745,1030090595.86776,1071987133.74251,8685275.1623705,1160789863.06419,7.06231955410579,{"v":3.8769231025257e-06,"d":"3.88E-06"},0.000219126554210787,14.0116258791819]
["POS02042","3-Methylcyclohexanethiol",27.1867,131.089250491622,491059.444967549,806825.86972673,681455.488755735,651780.369112179,895688.452722234,1501118.33595347,1902116.66971433,1724759.79077357,2188104.56367748,2845062.29223197,705361.925056885,2032232.33047016,1.52662973715111,0.00059053374114663,0.00502178217518798,0.430990726594667]
["POS07299","3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate",490.615,445.366202900643,85913.4543152135,78127.9475063639,25036.3790702244,35240.8060732153,28774.3253017696,158683.52134842,118382.629873582,126742.142847828,130387.841857371,142300.632153474,50618.5824533573,135299.353616135,1.41841593573417,0.000432987604355243,0.00400357424585608,0.11776295390847]
["NEG05717","3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole",37.5892,274.060731225776,375239.144408827,436709.806044899,363619.725599656,542384.777798973,383966.080388118,774503.947935187,780304.332536681,980545.99760413,739833.031594789,932273.393244511,420383.906848095,841492.14058306,1.00124235599806,{"v":8.99322636646369e-05,"d":"8.99E-05"},0.00144760713798958,0.260345230300032]
["NEG01232","3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholate",599.841,405.267486157997,7582384.07339387,7029177.68654768,5798818.1086538,5905900.2184089,6445783.96140115,14197791.8482307,11817179.0135628,15137888.6797902,13545517.2056871,12946745.9614734,6552412.80968108,13529024.5417488,1.04595966665817,{"v":5.31327392422261e-06,"d":"5.31E-06"},0.00025880871138417403,1.09052793580165]
["NEG06197","3-[3-hydroxy-5-methoxy-4-(sulfooxy)phenyl]prop-2-enoic acid",31.6185,289.007910691194,312100.525988434,185621.717445118,139357.271499344,319985.783789336,372794.868263022,523563.059478154,614743.573710549,833194.396853435,521701.865944169,1110977.48073172,265972.033397051,720836.075343605,1.43839665858681,0.00559071516286393,0.0285145597759297,0.248304398142605]
["NEG05321","3,4-Dihydroxy-L-phenylalanine",165.921,196.060552998364,24189.1399045681,31477.7848869398,27682.1711191039,42242.740010753,36558.3938698576,1752076.5696458,1688609.85088848,1363202.13510718,2129412.12263438,1470981.76470279,32430.0459582445,1680856.48859573,5.69572167409902,{"v":1.63415403887911e-06,"d":"1.63E-06"},0.000128238087998355,0.516541104186504]
["POS07512","3,4,5-trihydroxy-6-{[4-hydroxy-2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid",43.91865,501.130404871814,243854.029425482,473478.84306889,253403.769061663,777284.05949755,275521.674639565,1046885.17885022,1371310.40401653,1715063.68678556,1537968.53604462,1642984.47664235,404708.47513863,1462842.45646786,1.85381943771686,0.000145698135267446,0.00196890561646915,0.403132261856514]
["NEG05124","3,4,5-trihydroxy-6-{[2-(2,3,4-trihydroxyphenyl)acetyl]oxy}oxane-2-carboxylic acid",186.408,359.058238049893,1420.48263126871,3595.56982002548,4829.04604185156,5361.03386454987,4785.81435173937,82477.667675293,38897.4602575268,63122.7808231249,42584.8474876791,66386.3911306174,3998.389341887,58693.8294748482,3.8757179737195,0.00014226258187269,0.00195196481201393,0.0949204108742355]
["NEG04012","3,4,5-trihydroxy-6-(2-hydroxyphenoxy)oxane-2-carboxylic acid",393.647,285.06660828854,116410.999293182,141831.943390833,101321.399003773,215366.277085967,146944.656015154,26189.2601021416,44577.6815516124,23526.0907629049,39018.4344668277,37697.3394927959,144375.054957782,34201.7612752565,-2.07767896964327,0.000570145854701345,0.00493280929995961,0.12827471652935]
["NEG05990","3,4,5-trihydroxy-6-({5-hydroxy-2-[5-hydroxy-13-(hydroxymethyl)-9,13-dimethyl-8-oxatetracyclo[7.4.1.0tetradeca-2(7),3,5-trien-4-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)oxane-2-carboxylic acid",34.25345,613.19748589011,343994.255803419,710537.794322473,471457.406580637,715300.820128769,493156.732625296,1324256.3986705,1527024.25489103,861353.568153261,1725654.46813988,1125235.39306803,546889.401892119,1312704.81658454,1.26322152917264,0.00181333215368592,0.0116370656003402,0.322048998565721]
["NEG05901","3,3'-Bisjuglone",35.0457,345.035548141999,187810.588733577,315053.19201802,275981.445344151,347899.652873198,431880.507833173,1166141.54100536,1084029.48229615,821498.651882794,1000225.51184604,630888.568070682,311725.077360424,940556.751020205,1.59324077507804,0.000312727132314011,0.00322310705723634,0.310228678577014]
["POS05047","3-(3,4-dihydroxyphenyl)-N-(3-oxopropyl)propanimidic acid",318.665,238.106528299553,1513688.87923463,1706651.20384756,2035785.25910828,3315816.45985773,1386499.05500681,1029808.30754363,546971.154253199,574330.26672634,631279.530486532,242778.790236147,1991688.171411,605033.60984917,-1.71890459759857,0.00569758388563223,0.0288621661613057,0.425549342509329]
["POS06851","2-S-Glutathionyl acetate",82.471,366.095088793236,16994.4451427896,0,31096.8288570842,40620.5408142759,0,128243.317128196,135683.287643573,172866.625979002,127311.341537727,131294.975996768,17742.3629628299,139079.909657053,2.97064396652518,{"v":7.04604668695339e-06,"d":"7.05E-06"},0.000300161588864214,0.141025241604009]
["POS06280","2-Protocatechoylphloroglucinolcarboxylate",165.448,307.042792601583,50334.0855384555,153250.293115549,87999.0292467368,98637.4773310361,71853.8138705105,1091007.02997593,379788.46095284,915370.50684636,387251.717238763,429039.275908529,92414.9398204576,640491.398184484,2.79298119324617,0.00689290644911764,0.0333318600507062,0.287569906808446]
["POS03921","2-Oxo-7-methylthioheptanoic acid",27.3698,191.076039034426,360688.516578001,651586.381141056,507082.455725445,521563.270031963,472834.944001867,1250327.83385476,1209852.29299448,1134572.83644869,1357095.47358783,1675249.08151042,502751.113495666,1325419.50367924,1.3985327771486,{"v":5.23086399761414e-05,"d":"5.23E-05"},0.000999899771851626,0.356001583860649]
["NEG05581","2-O-Caffeoyltartronic acid",45.6962,281.035728463241,1979.10185205725,25555.0859661484,6081.02688299056,17335.7910343556,26139.2918900066,210278.94572292,212508.232081173,60863.2414022413,233729.253348534,148675.049081004,15418.0595251117,173210.944327174,3.48983698144716,0.00111585807160987,0.00796049944866178,0.148939121108829]
["NEG03599","2-O-Caffeoylglucarate",416.026,371.065487626249,124811.119975872,166939.161912508,126655.105218295,276064.022987094,178028.428803192,27781.431245805,62383.9869183741,42473.2604360706,67795.5121515596,97625.7259302105,174499.567779392,59611.983336404,-1.54954918421593,0.00499783536095788,0.0261771868496073,0.126370743943409]
["NEG06065","2-O-(alpha-D-Mannosyl)-D-glycerate",32.3941,267.071836154879,12001890.746434,36389872.8422938,39570224.0332691,70398985.1138238,10949204.9989289,204859717.364269,98841351.0557107,121576155.294408,111372164.909179,83565696.379513,33862035.5469499,124043017.000616,1.87309991541317,0.00534328145914381,0.0273774318061286,3.64544607848119]
["NEG06563","2-Methoxyacetaminophen sulfate",27.2858,260.025377510593,2706341.92306073,3355170.75684605,2414132.14508049,2536655.93570505,3574131.15377641,4627281.21061089,5365510.02275164,6038196.30669249,6589083.46858056,9079121.15617392,2917286.38289375,6339838.4329619,1.11981905555823,0.00257644594387671,0.0154753548378315,0.677759387587506]
["NEG01068","2-Hydroxytetracosanoic acid",643.341,383.352822428284,434245.226998967,445151.587460848,251300.148694828,189260.468303664,249870.363720579,716299.464367567,616854.456953863,847484.043688101,707653.627500965,876517.301425748,313965.559035777,752961.778787249,1.26197032487286,0.000269309038010609,0.00291675381845388,0.265326748490972]
["NEG05275","2-Hydroxyclomipramine",166.375,329.150340427208,1130.20348820305,1134.64549095082,0,935.613172721338,1937.31655620117,12222972.6120148,4725497.50393592,8730343.62583692,5803737.41706407,5862117.47391955,1027.55574161528,7468933.72655425,12.8274699239719,0.000583934359219794,0.00499414605887216,1.10319791770215]
["NEG04902","2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate",209.5065,232.060985458153,118405.947853137,114352.60225426,144678.299026341,235106.702729834,78074.9766349357,8861675.91833248,4257505.36093827,5795536.45624718,4992100.08125573,3737663.31423138,138123.705699702,5528896.22620101,5.32295864271333,0.000334288730019846,0.00336773308418642,0.938245433224744]
["POS07533","2-Decarboxybetanin",164.345,508.169118257008,20530.6624434651,13027.6037267705,22407.920028466,26402.3684460192,8043.24128631486,112749.926491862,200501.612578937,230161.191702202,163475.300433433,78077.4272716011,18082.3591862071,156993.091695607,3.11804625430517,0.00110844469413647,0.00794049248074172,0.142367518956838]
["POS02185","2-Benzoxazolol",194.143,136.03890075121,3326663.13268124,3342881.49103035,3253077.53361189,3546199.16487733,3374144.41615679,435763.065742164,310144.541683419,368254.012423949,461668.110212667,432232.528414767,3368593.14767152,401612.451695393,-3.06827028821313,{"v":1.76371432828325e-11,"d":"1.76E-11"},{"v":3.94454709520549e-08,"d":"3.94E-08"},0.70555632175355]
["POS07591","2-acetyl-1-alkyl-sn-glycero-3-phosphocholine",454.775,524.360168429755,8399395.45530818,13382345.7481879,9553247.41262869,14160509.1861845,11564522.4747984,41315704.4775293,28693324.6482176,35388073.4197131,34043627.0271191,36944760.1996359,11412004.0554215,35277097.954443,1.62817971877284,{"v":6.98331278935894e-06,"d":"6.98E-06"},0.000300161588864214,2.00157505258223]
["NEG03898","27-O-Demethylrifamycin SV",403.921,682.281967411008,19349.3715048271,50878.9374749059,13801.5068065928,43790.1198581749,42994.5562891849,88478.0738933073,97561.8500610929,61603.4754220044,133461.563187834,142545.002704806,34162.8983867371,104729.993053809,1.61617238325543,0.00280083121434724,0.0163980602379256,0.0965290246899678]
["NEG03206","20-Oxo-5-O-beta-mycaminosyltylactone",454.0855,580.361780248452,22432992.2820804,37281943.7608409,20592008.3966546,33731486.1439249,33563666.9929081,103893573.853123,94972940.6404278,102439026.636748,113946951.264747,152376328.120828,29520419.5152818,113525764.103175,1.94323461825771,{"v":5.02925974120719e-05,"d":"5.03E-05"},0.000969649949242231,3.62809601671551]
["NEG01191","20-Hydroxyecdysone",604.691,479.304231931125,7395679.79069272,12450691.9983372,7336175.03017462,11339502.7000933,11094195.222699,30520352.6805523,28109680.5046199,30580243.7525102,35781903.7263791,48952630.5340642,9923248.94839937,34788962.2396251,1.80974519119944,0.000216499305415324,0.00254012271946888,1.93710090560086]
["NEG06493","2-{[hydroxy(6-hydroxy-2H-1,3-benzodioxol-5-yl)methylidene]amino}acetic acid",28.0783,238.038379740662,79903.9003132296,148137.64249489,95385.180558529,154137.427319417,132211.079094715,1190619.99379035,1399072.98745103,1427389.98172159,1568059.01272821,1945080.84829759,121955.045956156,1506044.56479775,3.62634310411603,{"v":4.21734406748243e-06,"d":"4.22E-06"},0.000221931529574693,0.469291451994894]
["NEG05338","2-{[hydroxy(4-methoxy-1-benzofuran-5-yl)methylidene]amino}acetic acid",165.385,248.053486038924,0,0,1151.83501805161,0,2034.97778073399,1041849.73828281,401037.488522465,321302.656945196,331675.866525227,381425.100947372,637.36255975712,495458.170244614,9.60243327149681,0.00697116766719464,0.0336739017012545,0.268391492310382]
["POS05542","2-[3,5-dihydroxy-4-(sulfooxy)phenyl]acetic acid",171.474,265.002225127606,0,12309.2871715962,8692.63429964057,10243.3219422243,4090.66075849553,849255.869244956,114670.030331246,644454.565768745,341869.170398171,479106.462351712,7067.18083439132,485871.219618966,6.10329534228928,0.00516298930726566,0.0266060497366352,0.269642944916461]
["POS04693","2,4-Diamino-6,7-dimethoxyquinazoline",37.628,221.100714745913,1748908.04919577,2953190.68552625,1697965.39995808,2634302.49150928,2413034.92749504,5741991.19718525,5331070.94219541,5728355.43631662,4545395.41257486,5352280.21262088,2289480.31073688,5339818.6401786,1.2217705854751,{"v":1.4784737145574e-05,"d":"1.48E-05"},0.000456083650014846,0.71339020204807]
["POS05676","2,4,6-Trichloro-4'-biphenylol",89.1119,272.95786741609,74098.775588666,95171.5879608777,71244.9497633429,103666.067942364,74110.1645915255,391977.664582045,250827.772136041,359477.418690158,185419.058938444,138206.678933968,83658.3091693552,265181.718656131,1.66440057616335,0.00617385230690824,0.0306499904204224,0.165107320727085]
["NEG03363","2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile",442.904,281.108049457409,1137156.24878684,1257164.01590781,1026814.00068656,1086691.9951886,1424753.28578317,193428.883098384,167694.634077916,182877.065811163,196961.997726143,183212.391000885,1186515.9092706,184834.994342898,-2.68242161534562,{"v":6.0403408254359e-07,"d":"6.04E-07"},{"v":6.58986451516458e-05,"d":"6.59E-05"},0.406487498798676]
["NEG04808","2,3-Dihydrothiemycin",232.2885,273.087975387417,38129.5155791848,58471.6965113154,53715.7432219626,87603.6965619538,41844.5190556081,228878.728944461,147862.972875862,195258.70742071,317652.819061036,189415.075804837,55953.0341860049,215813.660821381,1.94749791709036,0.000679893976012244,0.00558012065083077,0.15384265645733]
["POS06279","2',3'-Cyclic UMP",66.16865,307.026039061029,115282.376639542,0,109939.323500918,111189.811530442,4883.52728866485,166402.595167921,308640.401898833,378212.655721327,310527.567917804,160782.792344189,68259.0077919134,264913.202610015,1.95642839701475,0.00479196145352563,0.025517194740024,0.162240907776297]
["NEG06284","2,3,4,5-Tetrahydrodipicolite",30.5445,170.042252375649,8271511.49529792,9336061.66264918,6265865.32761508,9777506.25231981,9540040.95821567,24245446.958224,24447700.3820307,26547773.5499664,24901371.6792821,27954233.9971171,8638197.13921953,25619305.3133241,1.56842920951902,{"v":1.07118358584136e-07,"d":"1.07E-07"},{"v":2.39570208973421e-05,"d":"2.40E-05"},1.68677287815035]
["NEG06708","2,2'-Disulfonyl azobenzene",24.8578,340.992578191155,338934.684852183,298936.924877248,207897.975625174,313594.079416598,448723.036973461,861745.464315757,645977.149225435,801500.354058094,1150708.23549474,1450452.84521365,321617.340348933,982076.809661535,1.6104906711517,0.00210033111529988,0.0131273039397812,0.303051472944061]
["NEG05451","2-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)propanedioic acid",99.60015,279.038598343197,47191.8941302654,177119.508181135,63677.5642004621,152259.34855276,137365.047410241,756905.133051649,771389.4656605,303372.484560048,860804.382144497,551567.542387283,115522.672494973,648807.801560795,2.48961514433311,0.000860964440139257,0.00659384084748124,0.275676156173991]
["POS05870","2-(4-Methoxyphenethyl)chromone",206.915,281.11217802929,40458.8258830288,94464.8499024175,49866.5428103591,36992.4678352559,133047.550466747,113694.687865654,149368.910329903,165789.27177682,164356.58340526,190169.093725655,70966.0473795617,156675.709420658,1.14258066619285,0.00513450741426297,0.0264897943068031,0.104081641306719]
["POS06227","2-(3,5-Dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-carboxylic acid",290.852,302.033700805228,416276.106526205,334144.353788753,196778.291718953,217538.512040637,360957.979921026,69112.5943397656,15436.8527655891,61781.935504122,49691.0511457691,75517.9101423623,305139.048799115,54308.0687795216,-2.49022834777565,0.000426129116298182,0.0039792808709849,0.1891378013043]
["NEG05995","2-(2,4-dihydroxy-5-methoxyphenyl)-3-(3,7-dimethylocta-2,6-dien-1-yl)-5-hydroxy-8,8-dimethyl-4H,8H-pyrano[3,2-g]chromen-4-one",34.2518,517.225507996797,142476.378171871,242920.483630835,211102.349042049,196794.999998223,147514.454740236,392540.716493506,408070.83459319,358173.165062298,417154.37720503,428936.591396831,188161.733116643,400975.136950171,1.09153952934028,{"v":1.38611939232065e-05,"d":"1.39E-05"},0.000430563336239603,0.182592082779761]
["POS07590","1-Stearoylglycerophosphoserine",679.409,524.296443803869,24871.7875291177,303878.026938623,148406.000892171,186895.615897779,279207.585662706,939249.197309084,1569453.89372761,1077411.82746184,2861398.17386556,3037453.55280611,188651.803384079,1896993.32903404,3.3299168088588,0.00501053586587024,0.0262086905255674,0.457343199649531]
["NEG03328","1-Stearoylglycerophosphoglycerol",448.537,511.303521004739,131919.036509083,255844.97705301,135714.67420525,252146.088727689,205132.680836316,796705.058591666,625937.25397357,703650.445242946,853941.36085944,1186186.69940968,196151.49146627,833284.16361546,2.08684025705501,0.000218065531919529,0.00254012271946888,0.311758477585408]
["POS07595","1-Stearoylglycerophosphocholine",495.697,525.373093408163,1434847.53636107,1987541.8842825,1705498.67367711,2389566.07021691,1746779.82131306,6623772.61664057,3174018.34366375,4712218.22926079,3547294.85886162,4054650.24913563,1852846.79717013,4422390.85951247,1.25508294207781,0.00349742148227655,0.0195549578627788,0.629177498356434]
["NEG03201","1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine",454.1245,662.365050860134,258697.704689795,450081.656108095,247324.349554952,414697.195908884,424742.42576594,1190258.49099212,1093168.85437581,1172513.04881285,1310276.29985017,1673289.71011734,359108.666405533,1287901.28082966,1.84252963815399,{"v":3.23229744806661e-05,"d":"3.23E-05"},0.000712220023901574,0.382746905821407]
["POS07580","1-Oleoylglycerophosphoserine",414.396,522.28250738467,215096.985500031,360495.558374148,66680.7803297859,596940.534452711,462509.678200236,1297501.83372292,1129367.44275069,1383543.89784432,1377226.26433438,1818387.47031036,340344.707371382,1401205.38179253,2.04159985443775,{"v":9.03231175153809e-05,"d":"9.03E-05"},0.0014480835291982,0.409446571753642]
["NEG03903","1-Oleoylglycerophosphoinositol",403.741,597.304291780497,1972271.29349197,2576291.11050718,1315040.13899738,2562012.17164028,2689180.52234605,6425124.89099954,6895250.71777778,6211953.24665545,9148995.38798321,13145559.4081005,2222959.04739657,8365376.7303033,1.91194914226325,0.00171293179143646,0.01108819667597,0.918970329595508]
["POS07587","1-Oleoylglycerophosphocholine",454.6555,523.357419371899,20154222.7554963,34142539.5478677,19917434.9063874,31570261.6397807,30315601.0490862,104117131.773475,96723424.4285778,110281170.402027,118357473.75736,153395703.323436,27220011.9797237,116574980.736975,2.09851858438955,{"v":2.44997578954139e-05,"d":"2.45E-05"},0.000608818983701035,3.76147866290081]
["NEG05300","1-Hydroxy-6-methoxypyrene",166.217,247.077412147936,23072.9748158729,12648.8379318878,12081.8953061686,13681.7761706252,14432.5603918111,3966430.99415559,1469534.70697478,2084011.51181944,3843408.99376813,3068054.09623998,15183.6089232731,2886288.06059158,7.57055674310913,0.000369574118352979,0.00364120050967594,0.667338292012156]
["POS01610","1-Hexanethiol",38.9286,119.089419603692,14645054.7196272,18695915.8041026,14000333.2828993,20118284.0132383,18805213.0317196,47864107.6249184,46022269.9332238,47639172.3905221,41660360.9030379,44099329.2483197,17252960.1703174,45457048.0200044,1.39766008560305,{"v":1.69163462119646e-07,"d":"1.69E-07"},{"v":3.28986159157033e-05,"d":"3.29E-05"},2.18587251420152]
["NEG00675","1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol",672.894,747.518138201158,64843931.3354283,85710345.9242723,67260200.5734392,71092460.4657085,48952395.2419959,164834180.383529,140211138.955646,142420165.771371,145917940.827625,152666555.773659,67571866.7081688,149209996.342366,1.14284957637746,{"v":3.98050595072213e-06,"d":"3.98E-06"},0.0002196354453747,3.69793679543977]
["NEG04157","1-Dehydro-9-fluoro-11-oxotestololactone",371.379,331.141988895285,21834.1846153822,25024.4347671511,13222.6328284072,32726.1796377903,22394.1971401059,53863.3778949834,50262.2071312053,42719.0279951175,57849.9168675773,86045.8716602306,23040.3257977673,58148.0803098228,1.33557044650651,0.00239210131602931,0.014617307631966,0.0700254277813178]
["POS04667","1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol",37.5518,220.094143039073,1556820.83732256,2560206.48012364,1510732.22980916,2036790.83523445,2221075.68675413,3807970.11228479,4383050.92900324,4600619.04128729,3436778.35511927,4521339.36218596,1977125.21384879,4149951.55997611,1.0696902551311,{"v":9.18672614932181e-05,"d":"9.19E-05"},0.00146127736835452,0.586515313289256]
["NEG03551","16alpha-Hydroxydehydroepiandrosterone",420.6605,303.199674596263,1079309.10080648,900554.559317001,745275.339440502,1135558.18248694,1090851.00129125,6601134.93686448,5814591.70670921,5864474.55118461,6446415.32682997,7334805.07874963,990309.636668435,6412284.32006758,2.69488681259197,{"v":6.45002475012322e-08,"d":"6.45E-08"},{"v":1.6971153357236e-05,"d":"1.70E-05"},0.951920897270948]
["NEG05382","16alpha-Bromo-17beta-estradiol",158.2765,349.076316749659,57437.5140952049,96856.4386879722,61872.9941495859,54892.865939526,74634.3554984312,2003.41589139428,0,0,0,0,69138.833674144,400.683178278856,-7.43089051332753,{"v":2.01982021612762e-05,"d":"2.02E-05"},0.000549831170607229,0.105016989191635]
["NEG03216","13-Desoxyterpendole I",453.862,436.254646299494,41603.402997267,122704.058137588,63640.2079111873,141881.2893509,124801.98224646,397640.207489612,374889.420026434,391484.287733827,404199.226136991,522997.099926785,98926.1881286805,418242.04826273,2.07991371904518,{"v":1.08869025605904e-05,"d":"1.09E-05"},0.000370864153719956,0.226169296747488]
["NEG05930","13-Deoxycarminomycin",34.75775,498.18354267346,147493.342640165,414976.239620114,377761.491326706,546396.199808741,366943.755247285,730916.065904266,780690.641569488,673318.038450662,844460.991330721,938676.671621279,370714.205728602,793612.481775283,1.09812731618108,0.000684895119536633,0.00561087155620395,0.243578278796723]
["NEG06465","12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione",28.6061,407.12378232311,232254.211299332,300308.035284631,258525.41649372,259761.114602233,330789.817520633,450881.57824308,552297.373654534,665953.521111592,691992.172684596,698369.6403897,276327.71904011,611898.8572167,1.14691291547946,0.000176997909600232,0.00223017366096292,0.222633536110182]
["POS06448","11beta-Chloromethylestradiol",291.111,321.158635233538,402733.754150052,491499.170667822,210219.727197884,317351.147856327,521189.886254299,112658.892872255,114239.42262076,117600.758202922,165080.593535659,141188.491839479,388598.737225277,130153.631814215,-1.57806564346074,0.00212642688102583,0.0131921046308302,0.189126714395673]
["NEG03923","11-[(2R,3S)-3-[2-amino-3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-en-1-yl]-2-methyloxiran-2-yl]-3,7-dihydroxy-4,4,6,8-tetramethyl-5-oxoundecanoic acid",403.287,523.286666111025,2490101.95832684,4282992.41901631,2096206.65433753,3887682.6256241,3553592.07710341,10622906.1340039,11435155.9980108,11757473.3035562,14844008.3089491,20934357.126695,3262115.14688164,13918780.174243,2.09315316796738,0.000577884830400923,0.00497092085842948,1.24140830017313]
["NEG06094","11,15-dihydroxy-17,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0icosa-1(12),2(9),4,10,14(19),15,17-heptaen-13-one",32.354,369.057988956845,768371.199443279,2031454.02016665,2092523.94230395,1992456.43055698,1344483.01219041,3489344.80249236,3302698.30146194,3583701.41784051,3485241.47912924,3689521.90579311,1645857.72093225,3510101.58134343,1.09267315748133,0.000110509745039569,0.00165875868980535,0.531957487512968]
["POS07401","104-1",43.46975,469.158329040393,34550.0217800507,32685.781532273,35114.6514411008,239171.769190994,24523.5553430363,266805.81707379,534418.371526831,413389.617367935,535267.894308242,460768.459727301,73209.155857491,442130.03200082,2.59437473905745,0.000451255590519197,0.0041017585292931,0.229723617003071]
["NEG05329","1-[2-Bromo-1-(4-chlorophenyl)ethenyl]-2-chlorobenzene",165.65,324.912844988096,500899.167388899,241430.259141594,271910.712294606,198247.206428123,259271.745717765,5537625.84216041,2515475.69330927,3820017.34281199,2921943.36897437,2399024.12322711,294351.818194197,3438817.27409663,3.54629901424156,0.000654018172672814,0.00543758975160873,0.714797695336016]
["POS02218","1,2-Diacylglycerol-LD-PE-pool",275.472,137.078579537281,9544181.01610534,9779979.1845325,10091045.220972,10556220.4123557,9678393.93394249,6906749.56022734,5109235.14826342,2722363.22427897,2539877.6216361,3382783.20787837,9929963.95358161,4132201.75245684,-1.26487778597868,0.000132993012322495,0.00188129542140574,0.935924801811381]
["POS02850","1-(2-Thienyl)-1-butanone",37.09885,155.055808869836,1664134.71709374,2128269.46210466,1950336.13757784,1398762.89384468,2306795.97657908,872770.877643429,1053502.00885109,840268.544887576,839409.411876503,828942.942903432,1889659.83744,886978.757232406,-1.09115509643454,0.0003305409859367,0.0033526300002151,0.398478534192677]
["NEG06307","{3,5,6-trihydroxy-2-[3-(sulfooxy)phenyl]-7H-chromen-7-ylidene}oxidanium",30.4869,365.99712390282,1120334.89381478,1500172.45230432,882992.60796148,1361041.89683322,1333511.98325577,2906700.11315106,3041142.68620112,3764191.28704113,3180863.88059297,4037590.99626637,1239610.76683391,3386097.79265053,1.44973644893703,{"v":2.19388185204254e-05,"d":"2.19E-05"},0.000567238932033889,0.588457286945407]
["POS06516","(S)-Scoulerine",179.57,328.160338917509,131398.231567933,214358.469663703,143960.041345438,329798.875643004,289851.324508279,0,16190.1054687583,14952.0711021658,0,44003.8602443992,221873.388545671,15029.2073630647,-3.88389581235825,0.000841421430491662,0.00653385404568652,0.175591919982527]
["POS06874","(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]-(S)-alanine",177.0145,369.110643302723,0,4246.52215119302,0,0,0,12607018.0484119,9949635.89882991,9885988.93463702,11808938.9232619,5717140.77494767,849.304430238604,9993744.51601768,13.5224559409412,{"v":3.1169976692782e-05,"d":"3.12E-05"},0.000690214384885218,1.2760913257794]
["NEG06379","(S)-ATPA",30.213,227.100637786114,539368.843722525,967127.418125583,775512.227426273,821747.708758565,714946.311874247,1409648.43794865,1755334.8717205,1552271.85126943,1970275.21702473,2212183.40825271,763740.501981439,1779942.7572432,1.22067640649674,0.000217700042360136,0.00254012271946888,0.383317527455879]
["POS05684","(R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol",454.783,273.166281690944,444789.867309647,613357.266762901,427618.931281898,558863.996470314,553682.858531436,1090559.30837747,1206495.87845127,1201063.49338239,1322948.00681822,1446835.81165033,519662.584071239,1253580.49973594,1.27040754983676,{"v":6.24843629141947e-06,"d":"6.25E-06"},0.000283759536038832,0.34156345267398]
["NEG06499","(R)-S-Lactoylglutathione",28.06875,378.097294292677,1002675.31358293,1074315.20560286,682298.711773542,838750.190732145,1090926.05830657,1758673.56253172,2001657.70298252,1923609.23908001,2311959.11996383,2633999.43579193,937793.095999609,2125979.81207,1.18078633421656,0.000133752145266957,0.00188129542140574,0.424238662695974]
["NEG00638","(R)-Mevalote",673.4705,147.065059729462,3078297.61674071,4562421.61775818,3302855.53606979,4303542.61195498,3240635.24061329,11647374.9970156,8954781.53981225,7694690.88806331,10298897.8231645,8170716.93517283,3697550.52462739,9353292.4366457,1.33890443409362,{"v":9.21261385817068e-05,"d":"9.21E-05"},0.00146127736835452,0.952549309243999]
["NEG04146","(6R)-10-Formyltetrahydropteroyldiglutamate",373.3915,601.21177689732,22924.2015616668,98212.9281377032,11181.8183659278,44636.9166429257,47599.2898036402,150018.664449021,122900.250193771,71777.2048600373,93640.2320356283,127291.013090799,44911.0309023727,113125.472925851,1.33278207975624,0.00985022003082622,0.0442814414049102,0.0958837733750384]
["POS05871","(4E)-6-hydroxy-1,7-diphenylhept-4-en-3-one",454.777,281.155484279109,367471.139394384,828182.365851559,380909.048834168,727593.438362085,610468.870119536,1774416.24634185,2100350.18526911,2025926.74878343,2090876.00996794,2741015.03338597,582924.972512346,2146516.84474966,1.8806153811991,{"v":2.87577702820643e-05,"d":"2.88E-05"},0.00066304725416993,0.494406478096358]
["NEG05876","(3-hydroxy-16,17-dimethoxy-9-oxo-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[12.3.1.1nonadeca-1(17),2,4,6(19),14(18),15-hexaen-8-yl)oxidanesulfonic acid",35.5475,613.159995878628,199018.209411972,397206.754208537,201113.337678552,157932.955570917,290266.805587757,420294.102864995,449808.769605962,587059.786460625,407183.096356064,667112.099776161,249107.612491547,506291.571012761,1.02319935612227,0.00492240287824473,0.0259645142386659,0.187199184867553]
["NEG04479","(3-Arylcarbonyl)-alanine",310.741,192.065578163414,184593.031187877,206409.500112043,201573.804824577,235838.114197853,212775.771536912,849185.648734801,918468.400228149,791934.350305333,687453.230908328,441347.714144143,208238.044371852,737677.868864151,1.82475728576792,0.000224705178254125,0.00260390223401736,0.288385364656819]
["NEG03087","(3-{8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid",466.416,625.090003451186,0,51357.0575638439,41983.7190116205,53256.6592833764,3931.08639055128,92737.1787238056,99603.8994894316,148006.542052666,93766.6625917409,150564.299752891,30105.7044498784,116935.716522107,1.95760686910358,0.0011697464629034,0.00825280114915914,0.112277497898674]
["POS07263","(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine",107.2085,438.135361522469,8976.86544349525,0,0,4778.02517576016,3950.59729637192,156611.974844009,164618.89163122,195674.163054455,205340.467069963,237668.786934854,3541.09758312547,191982.8567069,5.76063707856519,{"v":1.30992520143576e-06,"d":"1.31E-06"},0.000111976396641262,0.174975948716812]
["POS05487","(2E)-3-[2-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid",290.94,261.007283227695,1379932.94932837,1815384.50341591,1439819.67659747,2089801.96155351,1809655.99118939,426351.743066086,667716.975292639,584478.023627897,549125.950155287,359071.392083214,1706919.01641693,517348.816845025,-1.72218537707514,{"v":3.28305269452431e-05,"d":"3.28E-05"},0.000716675249990966,0.436580309580176]
["POS07446","(2-{[2-(9-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl)propan-2-yl]oxy}-2-oxoethoxy)sulfonic acid",170.432,483.099577749422,260702.506886989,399251.261488298,283014.371727391,425323.30287796,406710.523944619,0,158660.001061199,205146.334438255,199375.827487294,136884.799713508,355000.393385051,140013.392540051,-1.3422557930852,0.00283111206915749,0.0165105140617229,0.178253405323679]
["NEG04843","(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid",222.3855,229.097602443855,2557486.06903765,3784882.83958449,3788801.89657615,6309341.30139096,2761061.05854038,10825170.8811881,6479375.01301497,6504459.34664278,11526293.3284499,8058066.79580297,3840314.63302593,8678673.07301974,1.17624996415436,0.0048738215116405,0.0257995309130982,0.813890406842099]
["POS07586","(1S,16R)-5,6,7,11-tetrahydroxy-8,8,10,12,16-pentamethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-9-one",414.399,523.281769626085,48057.1839293631,185027.328509217,8539.25295218594,177211.033110037,149676.195412238,459537.301337384,382130.454184228,512035.673966855,418110.218058417,683335.901981541,113702.198782608,491029.909905685,2.11055075205722,0.000355493565897083,0.003533606045017,0.241733991806662]
["NEG03256","(+)-Syringaresinol O-beta-D-glucoside",451.456,579.221091071904,40452.5097203283,66494.4692208264,39464.1544811531,50266.9339662577,54687.7416801539,427397.676803638,138763.440044731,393525.198078725,188785.887170538,350934.472423353,50273.1618137439,299881.334904197,2.57653139739218,0.00250882262642078,0.0151944366691291,0.197064524894462]
["NEG05726","(-)-Columbianetin",37.4658,245.077354152855,380534.321937156,603071.487286587,412474.761609435,596266.059012563,563251.948122916,1135390.58899893,940104.46911447,1028098.55634925,1110491.427032,1119837.90033395,511119.715593731,1066784.58836572,1.06153574072281,{"v":1.51512835662382e-05,"d":"1.52E-05"},0.000459766209962591,0.300946933701103]
["NEG02363","(-)-3,4,9-Trimethoxypterocarpan",528.284,313.114365474184,1920621.11746853,3339351.0678986,2299140.02925116,3326346.98779812,3175066.08423379,9230709.79736583,8219101.17791291,12036397.7864178,9154601.02687986,12978261.0041533,2812105.05733004,10323814.1585459,1.87625367835773,{"v":5.39460775812476e-05,"d":"5.39E-05"},0.00100962679925071,1.09567746012288]
[]
[null,"Tryptophan and its derivatives"]

{"sheet":"Table S2-5","index":4,"n_rows":75,"n_cols":10,"rows_kept":75,"merged":[[0,0,0,9]],"flags":["formulas_cached_only"]}
["Table S2-5 Enriched KEGG pathways in TM vs. TM-06T"]
["Pathway ID","Pathway","KEGG A class","KEGG B class","Differential number of metabolites (228)","All number of metabolites (2215)","P-value","Q-value","Metabolite ID","C ID"]
["ko01130","Biosynthesis of antibiotics","Metabolism","Global and overview maps",70,440,{"v":2.50708e-05,"d":"2.51E-05"},0.001780027,"POS00012;POS00065;POS00066;POS00348;POS00360;POS00660;POS01808;POS03262;POS04206;POS06513;POS06539;POS06839;POS06972;POS07038;POS07049;POS07190;POS07308;POS07405;POS07461;POS08066;NEG00034;NEG00035;NEG00042;NEG00196;NEG00375;NEG00526;NEG00571;NEG00628;NEG01662;NEG01845;NEG01868;NEG01893;NEG02141;NEG03324;NEG03389;NEG03887;NEG04004;NEG04302;NEG04607;NEG04762;NEG04834;NEG04835;NEG04990;NEG05097;NEG05113;NEG05237;NEG05314;NEG05333;NEG05798;NEG05845;NEG05856;NEG05857;NEG05879;NEG05918;NEG05930;NEG05978;NEG06053;NEG06059;NEG06063;NEG06069;NEG06151;NEG06208;NEG06263;NEG06316;NEG06406;NEG06450;NEG06486;NEG06487;NEG06535;NEG06565","C00327+C00019+C00956+C00062+C00082+C00134+C03167+C17962+C00279+C21133+C06668+C05556+C20607+C12023+C12000+C12371+C06566+C11995+C12412+C12219+C00449+C00437+C00345+C00183+C00149+C00078+C00624+C20918+C17708+C17985+C11963+C11986+C06653+C21262+C21126+C17704+C21267+C12414+C00082+C12473+C21136+C21132+C21211+C12368+C11468+C17355+C12391+C20941+C20916+C00956+C20917+C06659+C00148+C12437+C12428+C11438+C00077+C00327+C12404+C03683+C07756+C00916+C00065+C04133+C01005+C00043+C00352+C20913+C00357+C01236"]
["ko00311","Penicillin and cephalosporin biosynthesis","Metabolism","Biosynthesis of other secondary metabolites",7,14,0.0002039874,0.007241553,"POS00066;POS06839;POS07308;NEG00196;NEG05845;NEG06151;NEG06208","C00956+C05556+C06566+C00183+C00956+C07756+C00916"]
["ko00520","Amino sugar and nucleotide sugar metabolism","Metabolism","Carbohydrate metabolism",8,21,0.0006913749,0.016362539,"POS03593;POS06586;NEG05200;NEG05797;NEG06427;NEG06450;NEG06486;NEG06535","C00329+C20082+C00140+C19972+C00096+C00043+C00352+C00357"]
["ko00472","D-Arginine and D-ornithine metabolism","Metabolism","Metabolism of other amino acids",5,11,0.003039076,0.053943599,"POS00025;POS00136;POS00348;NEG05757;NEG06053","C00515+C03771+C00062+C03771+C00077"]
["ko00220","Arginine biosynthesis","Metabolism","Amino acid metabolism",8,28,0.005575376,0.068639818,"POS00012;POS00348;NEG00035;NEG00571;NEG06053;NEG06059;NEG06201;NEG06316","C00327+C00062+C00437+C00624+C00077+C00327+C00064+C04133"]
["ko00480","Glutathione metabolism","Metabolism","Metabolism of other amino acids",9,34,0.005800548,0.068639818,"POS00243;POS00660;POS02579;POS07786;NEG00032;NEG00104;NEG02524;NEG05110;NEG06053","C01879+C00134+C00315+C00127+C00669+C03740+C03646+C00669+C00077"]
["ko00261","Monobactam biosynthesis","Metabolism","Biosynthesis of other secondary metabolites",10,45,0.01362887,0.138235681,"POS00065;POS00348;POS00360;NEG00628;NEG04607;NEG05237;NEG05798;NEG05856;NEG06263;NEG06487","C00019+C00062+C00082+C20918+C00082+C17355+C20916+C20917+C00065+C20913"]
["ko00970","Aminoacyl-tRNA biosynthesis","Genetic Information Processing","Translation",11,54,0.01881616,0.165711799,"POS00348;POS00360;NEG00159;NEG00196;NEG00526;NEG04607;NEG05879;NEG06201;NEG06241;NEG06263;NEG06406","C00062+C00082+C00123+C00183+C00078+C00082+C00148+C00064+C00152+C00065+C01005"]
["ko01230","Biosynthesis of amino acids","Metabolism","Global and overview maps",27,179,0.02303804,0.165711799,"POS00012;POS00065;POS00066;POS00348;POS00360;POS04206;NEG00034;NEG00035;NEG00046;NEG00159;NEG00196;NEG00526;NEG00571;NEG04607;NEG04908;NEG05239;NEG05566;NEG05720;NEG05845;NEG05879;NEG06053;NEG06059;NEG06201;NEG06241;NEG06263;NEG06316;NEG06406","C00327+C00019+C00956+C00062+C00082+C00279+C00449+C00437+C02504+C00123+C00183+C00078+C00624+C00082+C03539+C00021+C04462+C03283+C00956+C00148+C00077+C00327+C00064+C00152+C00065+C04133+C01005"]
["ko00330","Arginine and proline metabolism","Metabolism","Amino acid metabolism",13,70,0.02333969,0.165711799,"POS00065;POS00136;POS00223;POS00250;POS00348;POS00660;POS02043;POS02579;NEG04873;NEG05757;NEG05869;NEG05879;NEG06053","C00019+C03771+C03415+C00213+C00062+C00134+C02714+C00315+C10497+C03771+C15700+C00148+C00077"]
["ko00670","One carbon pool by folate","Metabolism","Metabolism of cofactors and vitamins",2,4,0.0550294,0.355189764,"NEG04911;NEG05818","C00664+C00440"]
["ko00750","Vitamin B6 metabolism","Metabolism","Metabolism of cofactors and vitamins",4,17,0.08912656,0.527332147,"POS04206;POS05266;NEG04515;NEG04983","C00279+C00647+C00627+C06050"]
["ko00510","N-Glycan biosynthesis","Metabolism","Glycan biosynthesis and metabolism",1,1,0.1029345,0.562180731,"NEG06427","C00096"]
["ko00380","Tryptophan metabolism","Metabolism","Amino acid metabolism",16,115,0.1259838,0.594070782,"POS00177;POS04646;NEG00059;NEG00066;NEG00526;NEG04415;NEG04844;NEG04933;NEG05027;NEG05037;NEG05121;NEG05192;NEG05202;NEG05389;NEG05953;NEG06097","C01717+C00978+C00637+C00955+C00078+C00331+C02693+C05646+C00398+C00463+C01717+C00643+C02700+C00328+C02938+C00780"]
["ko00460","Cyanoamino acid metabolism","Metabolism","Metabolism of other amino acids",7,42,0.1337039,0.594070782,"POS00360;POS04529;NEG00196;NEG00203;NEG04607;NEG06241;NEG06263","C00082+C15503+C00183+C01401+C00082+C00152+C00065"]
["ko01502","Vancomycin resistance","Human Diseases","Drug resistance",3,13,0.1422423,0.594070782,"NEG06051;NEG06263;NEG06450","C19719+C00065+C00043"]
["ko04931","Insulin resistance","Human Diseases","Endocrine and metabolic diseases",3,13,0.1422423,0.594070782,"POS05490;NEG06450;NEG06486","C00085+C00043+C00352"]
["ko00030","Pentose phosphate pathway","Metabolism","Carbohydrate metabolism",4,23,0.2061281,0.778702216,"POS04206;NEG00042;NEG00169;NEG06565","C00279+C00345+C01801+C01236"]
["ko00300","Lysine biosynthesis","Metabolism","Amino acid metabolism",5,31,0.2083851,0.778702216,"POS00066;POS05701;NEG00034;NEG05566;NEG05845","C00956+C20279+C00449+C04462+C00956"]
["ko00780","Biotin metabolism","Metabolism","Metabolism of cofactors and vitamins",2,10,0.2752216,0.858853043,"POS04554;NEG04995","C01909+C20386"]
["ko00563","Glycosylphosphatidylinositol(GPI)-anchor biosynthesis","Metabolism","Glycan biosynthesis and metabolism",6,43,0.2777256,0.858853043,"NEG01780;NEG01894;NEG02295;NEG02389;NEG02545;NEG02602","C00350+C00350+C00350+C00350+C00350+C00350"]
["ko04140","Autophagy - animal","Cellular Processes","Transport and catabolism",6,43,0.2777256,0.858853043,"NEG01780;NEG01894;NEG02295;NEG02389;NEG02545;NEG02602","C00350+C00350+C00350+C00350+C00350+C00350"]
["ko04122","Sulfur relay system","Genetic Information Processing","Folding, sorting and degradation",1,3,0.27822,0.858853043,"POS00065","C00019"]
["ko00052","Galactose metabolism","Metabolism","Carbohydrate metabolism",3,20,0.3397737,0.915317555,"POS00327;POS05490;NEG00007","C05402+C00085+C00089"]
["ko00254","Aflatoxin biosynthesis","Metabolism","Biosynthesis of other secondary metabolites",1,4,0.3526168,0.915317555,"NEG06069","C03683"]
["ko01053","Biosynthesis of siderophore group nonribosomal peptides","Metabolism","Metabolism of terpenoids and polyketides",1,4,0.3526168,0.915317555,"POS08066","C12219"]
["ko00500","Starch and sucrose metabolism","Metabolism","Carbohydrate metabolism",2,12,0.3546168,0.915317555,"POS05490;NEG00007","C00085+C00089"]
["ko00790","Folate biosynthesis","Metabolism","Metabolism of cofactors and vitamins",3,21,0.3692382,0.915317555,"POS04708;NEG05977;NEG06055","C02587+C09332+C15522"]
["ko02010","ABC transporters","Environmental Information Processing","Membrane transport",14,122,0.3738621,0.915317555,"POS00327;POS00348;POS00660;POS02579;POS03738;NEG00007;NEG00159;NEG00196;NEG05200;NEG05816;NEG05879;NEG06053;NEG06201;NEG06263","C05402+C00062+C00134+C00315+C00919+C00089+C00123+C00183+C00140+C04114+C00148+C00077+C00064+C00065"]
["ko01110","Biosynthesis of secondary metabolites","Metabolism","Global and overview maps",65,611,0.3974177,0.929563606,"POS00012;POS00065;POS00066;POS00348;POS00360;POS00660;POS04206;POS04529;POS06237;POS06350;POS06516;POS07159;POS07394;POS08022;POS08066;NEG00034;NEG00035;NEG00042;NEG00043;NEG00046;NEG00159;NEG00196;NEG00375;NEG00526;NEG00571;NEG01137;NEG01780;NEG01894;NEG02295;NEG02389;NEG02545;NEG02602;NEG03362;NEG04240;NEG04291;NEG04544;NEG04607;NEG04769;NEG05006;NEG05027;NEG05037;NEG05165;NEG05699;NEG05704;NEG05794;NEG05812;NEG05819;NEG05837;NEG05845;NEG05879;NEG05892;NEG06043;NEG06053;NEG06058;NEG06059;NEG06109;NEG06222;NEG06241;NEG06263;NEG06316;NEG06427;NEG06447;NEG06489;NEG06492;NEG06565","C00327+C00019+C00956+C00062+C00082+C00134+C00279+C15503+C00389+C06173+C02106+C20773+C09390+C00157+C12219+C00449+C00437+C00345+C00385+C02504+C00123+C00183+C00149+C00078+C00624+C14154+C00350+C00350+C00350+C00350+C00350+C00350+C01735+C02673+C07576+C03672+C00082+C00814+C07601+C00398+C00463+C10722+C03648+C00408+C06171+C02134+C03309+C03470+C00956+C00148+C05909+C02890+C00077+C00774+C00327+C17242+C06160+C00152+C00065+C04133+C00096+C05906+C08565+C17250+C01236"]
["ko00240","Pyrimidine metabolism","Metabolism","Nucleotide metabolism",7,59,0.4058658,0.929563606,"POS06611;NEG00070;NEG05455;NEG06183;NEG06201;NEG06593;NEG06650","C03997+C00015+C00299+C00475+C00064+C00112+C00075"]
["ko00130","Ubiquinone and other terpenoid-quinone biosynthesis","Metabolism","Metabolism of cofactors and vitamins",6,51,0.4303345,0.933239921,"POS00360;POS07159;NEG01137;NEG03326;NEG04544;NEG04607","C00082+C20773+C14154+C03993+C03672+C00082"]
["ko01210","2-Oxocarboxylic acid metabolism","Metabolism","Global and overview maps",18,165,0.4337594,0.933239921,"POS00066;POS00360;POS03527;POS04676;NEG00035;NEG00046;NEG00159;NEG00196;NEG00526;NEG00571;NEG04607;NEG05207;NEG05720;NEG05845;NEG06053;NEG06109;NEG06316;NEG06492","C00956+C00082+C17217+C17229+C00437+C02504+C00123+C00183+C00078+C00624+C00082+C17226+C03283+C00956+C00077+C17242+C04133+C17250"]
["ko00600","Sphingolipid metabolism","Metabolism","Lipid metabolism",3,24,0.4556696,0.951545341,"POS00209;NEG02708;NEG06263","C02934+C12126+C00065"]
["ko00910","Nitrogen metabolism","Metabolism","Energy metabolism",1,6,0.479277,0.962521262,"NEG06201","C00064"]
["ko00350","Tyrosine metabolism","Metabolism","Amino acid metabolism",5,45,0.5002437,0.962521262,"POS00360;POS06293;NEG04544;NEG04607;NEG05076","C00082+C02515+C03672+C00082+C17935"]
["ko00250","Alanine, aspartate and glutamate metabolism","Metabolism","Amino acid metabolism",4,36,0.5161172,0.962521262,"NEG05450;NEG06201;NEG06241;NEG06486","C12270+C00064+C00152+C00352"]
["ko01100","Metabolic pathways","Metabolism","Global and overview maps",114,1108,0.5307305,0.962521262,"POS00012;POS00025;POS00065;POS00066;POS00112;POS00136;POS00177;POS00209;POS00223;POS00243;POS00250;POS00348;POS00360;POS00418;POS00660;POS01808;POS02043;POS02579;POS03509;POS03593;POS04206;POS04554;POS04646;POS04821;POS05266;POS05295;POS05490;POS05840;POS06237;POS06293;POS06350;POS06516;POS06839;POS07591;POS08022;NEG00007;NEG00032;NEG00034;NEG00035;NEG00042;NEG00043;NEG00046;NEG00050;NEG00059;NEG00070;NEG00104;NEG00159;NEG00196;NEG00375;NEG00526;NEG00571;NEG01780;NEG01894;NEG02295;NEG02389;NEG02545;NEG02602;NEG02708;NEG04190;NEG04415;NEG04439;NEG04515;NEG04607;NEG04908;NEG04911;NEG04995;NEG05027;NEG05037;NEG05110;NEG05121;NEG05153;NEG05177;NEG05192;NEG05200;NEG05202;NEG05239;NEG05389;NEG05450;NEG05455;NEG05566;NEG05699;NEG05704;NEG05720;NEG05757;NEG05773;NEG05794;NEG05818;NEG05819;NEG05837;NEG05845;NEG05869;NEG05879;NEG05885;NEG06053;NEG06055;NEG06059;NEG06081;NEG06097;NEG06183;NEG06201;NEG06208;NEG06222;NEG06241;NEG06263;NEG06316;NEG06406;NEG06427;NEG06450;NEG06486;NEG06535;NEG06565;NEG06593;NEG06650;NEG06722","C00327+C00515+C00019+C00956+C05841+C03771+C01717+C02934+C03415+C01879+C00213+C00062+C00082+C15809+C00134+C03167+C02714+C00315+C00499+C00329+C00279+C01909+C00978+C12835+C00647+C07734+C00085+C02892+C00389+C02515+C06173+C02106+C05556+C04598+C00157+C00089+C00669+C00449+C00437+C00345+C00385+C02504+C00294+C00637+C00015+C03740+C00123+C00183+C00149+C00078+C00624+C00350+C00350+C00350+C00350+C00350+C00350+C12126+C19787+C00331+C18910+C00627+C00082+C03539+C00664+C20386+C00398+C00463+C00669+C01717+C00212+C00601+C00643+C00140+C02700+C00021+C00328+C12270+C00299+C04462+C03648+C00408+C03283+C03771+C06551+C06171+C00440+C03309+C03470+C00956+C15700+C00148+C00439+C00077+C15522+C00327+C04352+C00780+C00475+C00064+C00916+C06160+C00152+C00065+C04133+C01005+C00096+C00043+C00352+C00357+C01236+C00112+C00075+C00447"]
["ko00565","Ether lipid metabolism","Metabolism","Lipid metabolism",1,7,0.533023,0.962521262,"POS07591","C04598"]
["ko00260","Glycine, serine and threonine metabolism","Metabolism","Amino acid metabolism",6,57,0.5422655,0.962521262,"POS00250;POS05651;NEG00526;NEG05720;NEG06263;NEG06406","C00213+C01726+C00078+C03283+C00065+C01005"]
["ko00310","Lysine degradation","Metabolism","Amino acid metabolism",5,49,0.5790085,0.982578129,"POS00066;POS00269;NEG00034;NEG05704;NEG05845","C00956+C02727+C00449+C00408+C00956"]
["ko00332","Carbapenem biosynthesis","Metabolism","Biosynthesis of other secondary metabolites",1,8,0.5812434,0.982578129,"NEG05879","C00148"]
["ko00730","Thiamine metabolism","Metabolism","Metabolism of cofactors and vitamins",4,40,0.6025213,0.98538883,"POS00360;POS00418;POS05840;NEG04607","C00082+C15809+C02892+C00082"]
["ko00280","Valine, leucine and isoleucine degradation","Metabolism","Amino acid metabolism",3,30,0.6106635,0.98538883,"NEG00159;NEG00196;NEG06230","C00123+C00183+C15976"]
["ko00620","Pyruvate metabolism","Metabolism","Carbohydrate metabolism",3,31,0.6334724,0.999478676,"NEG00046;NEG00375;NEG06499","C02504+C00149+C03451"]
["ko00920","Sulfur metabolism","Metabolism","Energy metabolism",2,21,0.6529659,0.9999995,"NEG05680;NEG06263","C04022+C00065"]
["ko00400","Phenylalanine, tyrosine and tryptophan biosynthesis","Metabolism","Amino acid metabolism",5,55,0.6835983,0.9999995,"POS00360;POS04206;NEG00526;NEG04607;NEG05037","C00082+C00279+C00078+C00082+C00463"]
["ko00770","Pantothenate and CoA biosynthesis","Metabolism","Metabolism of cofactors and vitamins",4,45,0.6964371,0.9999995,"POS06466;NEG00196;NEG05116;NEG06081","C04079+C00183+C05944+C04352"]
["ko00270","Cysteine and methionine metabolism","Metabolism","Amino acid metabolism",6,69,0.7304281,0.9999995,"POS00065;NEG04190;NEG04908;NEG05239;NEG06263;NEG06406","C00019+C19787+C03539+C00021+C00065+C01005"]
["ko00660","C5-Branched dibasic acid metabolism","Metabolism","Carbohydrate metabolism",2,27,0.7836258,0.9999995,"POS00099;NEG00668","C01109+C06034"]
["ko00906","Carotenoid biosynthesis","Metabolism","Metabolism of terpenoids and polyketides",1,15,0.8050206,0.9999995,"NEG00662","C15914"]
["ko01200","Carbon metabolism","Metabolism","Global and overview maps",9,110,0.8166791,0.9999995,"POS04206;POS05490;NEG00042;NEG00375;NEG05818;NEG06263;NEG06406;NEG06565;NEG06722","C00279+C00085+C00345+C00149+C00440+C00065+C01005+C01236+C00447"]
["ko00680","Methane metabolism","Metabolism","Energy metabolism",7,90,0.836288,0.9999995,"POS00360;POS03088;POS05490;NEG00375;NEG04607;NEG06263;NEG06406","C00082+C16593+C00085+C00149+C00082+C00065+C01005"]
["ko00740","Riboflavin metabolism","Metabolism","Metabolism of cofactors and vitamins",1,18,0.8595981,0.9999995,"NEG04439","C18910"]
["ko00290","Valine, leucine and isoleucine biosynthesis","Metabolism","Amino acid metabolism",3,48,0.8864807,0.9999995,"NEG00046;NEG00159;NEG00196","C02504+C00123+C00183"]
["ko00564","Glycerophospholipid metabolism","Metabolism","Lipid metabolism",9,122,0.8978641,0.9999995,"POS07569;POS07673;POS08022;NEG01780;NEG01894;NEG02295;NEG02389;NEG02545;NEG02602","C04230+C04230+C00157+C00350+C00350+C00350+C00350+C00350+C00350"]
["ko00053","Ascorbate and aldarate metabolism","Metabolism","Carbohydrate metabolism",1,21,0.8989465,0.9999995,"NEG06427","C00096"]
["ko00232","Caffeine metabolism","Metabolism","Biosynthesis of other secondary metabolites",1,22,0.909448,0.9999995,"NEG00043","C00385"]
["ko00051","Fructose and mannose metabolism","Metabolism","Carbohydrate metabolism",1,24,0.9273019,0.9999995,"NEG06427","C00096"]
["ko00360","Phenylalanine metabolism","Metabolism","Amino acid metabolism",4,69,0.9368152,0.9999995,"POS00360;NEG04607;NEG05029;NEG05177","C00082+C00082+C04148+C00601"]
["ko00020","Citrate cycle (TCA cycle)","Metabolism","Carbohydrate metabolism",1,26,0.941648,0.9999995,"NEG00375","C00149"]
["ko00590","Arachidonic acid metabolism","Metabolism","Lipid metabolism",2,45,0.9550752,0.9999995,"POS08022;NEG01847","C00157+C04742"]
["ko00630","Glyoxylate and dicarboxylate metabolism","Metabolism","Carbohydrate metabolism",4,82,0.9764598,0.9999995,"NEG00375;NEG00502;NEG06201;NEG06263","C00149+C01127+C00064+C00065"]
["ko00410","beta-Alanine metabolism","Metabolism","Metabolism of other amino acids",1,37,0.9826487,0.9999995,"POS02579","C00315"]
["ko00592","alpha-Linolenic acid metabolism","Metabolism","Lipid metabolism",1,38,0.9844651,0.9999995,"POS08022","C00157"]
["ko00230","Purine metabolism","Metabolism","Nucleotide metabolism",5,102,0.9851575,0.9999995,"POS03509;NEG00043;NEG00050;NEG05153;NEG06201","C00499+C00385+C00294+C00212+C00064"]
["ko00340","Histidine metabolism","Metabolism","Amino acid metabolism",1,39,0.9860921,0.9999995,"NEG05885","C00439"]
["ko00760","Nicotinate and nicotinamide metabolism","Metabolism","Metabolism of cofactors and vitamins",1,43,0.9910702,0.9999995,"POS00112","C05841"]
["ko00591","Linoleic acid metabolism","Metabolism","Lipid metabolism",1,50,0.995896,0.9999995,"POS08022","C00157"]
["ko01220","Degradation of aromatic compounds","Metabolism","Global and overview maps",2,138,0.9999967,0.9999995,"POS05295;NEG06463","C07734+C16483"]
["ko01120","Microbial metabolism in diverse environments","Metabolism","Global and overview maps",35,626,0.9999995,0.9999995,"POS01808;POS01921;POS03088;POS03341;POS03509;POS03739;POS04206;POS04821;POS05034;POS05295;POS05490;POS05701;POS06174;POS07384;NEG00042;NEG00043;NEG00150;NEG00375;NEG00624;NEG00666;NEG04883;NEG04983;NEG05177;NEG05285;NEG05566;NEG05720;NEG05773;NEG05818;NEG06201;NEG06263;NEG06363;NEG06406;NEG06463;NEG06565;NEG06722","C03167+C08733+C16593+C01424+C00499+C16403+C00279+C12835+C18249+C07734+C00085+C20279+C18269+C13621+C00345+C00385+C00870+C00149+C14519+C02235+C01255+C06050+C00601+C14148+C04462+C03283+C06551+C00440+C00064+C00065+C06673+C01005+C16483+C01236+C00447"]
[]
[null,"The shared enriched pathway in TM vs. TM-06T, TM vs. TM-15T, and TM-06T vs. TM-TP"]

{"sheet":"Table S2-6","index":5,"n_rows":86,"n_cols":10,"rows_kept":86,"merged":[[0,0,0,9]],"flags":["formulas_cached_only"]}
["Table S2-6 Enriched KEGG pathways in TM vs. TM-15T"]
["Pathway ID","Pathway","KEGG A class","KEGG B class","Differential number of metabolites (264)","All number of metabolites (2215)","P-value","Q-value","Metabolite ID","C ID"]
["ko01130","Biosynthesis of antibiotics","Metabolism","Global and overview maps",86,440,{"v":1.230413e-07,"d":"1.23E-07"},{"v":1.008939e-05,"d":"1.01E-05"},"POS00012;POS00065;POS00066;POS00075;POS00189;POS00348;POS00360;POS00660;POS01808;POS03262;POS03945;POS04206;POS04329;POS06513;POS06539;POS06618;POS06839;POS06972;POS07038;POS07049;POS07190;POS07308;POS07405;POS07461;POS07667;POS08066;NEG00027;NEG00034;NEG00035;NEG00042;NEG00056;NEG00078;NEG00196;NEG00375;NEG00526;NEG00571;NEG00628;NEG01662;NEG01845;NEG01868;NEG01893;NEG02141;NEG02933;NEG03324;NEG03389;NEG03697;NEG03887;NEG03898;NEG04004;NEG04109;NEG04261;NEG04607;NEG04762;NEG04834;NEG04835;NEG04861;NEG04990;NEG05097;NEG05113;NEG05215;NEG05237;NEG05314;NEG05333;NEG05719;NEG05798;NEG05845;NEG05856;NEG05857;NEG05879;NEG05903;NEG05918;NEG05930;NEG05978;NEG06053;NEG06059;NEG06063;NEG06069;NEG06151;NEG06208;NEG06316;NEG06486;NEG06487;NEG06543;NEG06557;NEG06565;NEG06632","C00327+C00019+C00956+C06455+C00275+C00062+C00082+C00134+C03167+C17962+C16850+C00279+C01841+C21133+C06668+C18837+C05556+C20607+C12023+C12000+C12371+C06566+C11995+C12412+C06630+C12219+C00197+C00449+C00437+C00345+C00092+C00020+C00183+C00149+C00078+C00624+C20918+C17708+C17985+C11963+C11986+C06653+C00111+C21262+C21126+C18641+C17704+C14727+C21267+C11435+C01759+C00082+C12473+C21136+C21132+C00831+C21211+C12368+C11468+C17945+C17355+C12391+C20941+C00448+C20916+C00956+C20917+C06659+C00148+C06628+C12437+C12428+C11438+C00077+C00327+C12404+C03683+C07756+C00916+C04133+C00352+C20913+C00117+C05382+C01236+C00074"]
["ko00311","Penicillin and cephalosporin biosynthesis","Metabolism","Biosynthesis of other secondary metabolites",7,14,0.0005169188,{"v":0.02119367,"d":"2.12E-02"},"POS00066;POS06839;POS07308;NEG00196;NEG05845;NEG06151;NEG06208","C00956+C05556+C06566+C00183+C00956+C07756+C00916"]
["ko00472","D-Arginine and D-ornithine metabolism","Metabolism","Metabolism of other amino acids",5,11,0.005826459,{"v":0.1592565,"d":"1.59E-01"},"POS00025;POS00136;POS00348;NEG05757;NEG06053","C00515+C03771+C00062+C03771+C00077"]
["ko00220","Arginine biosynthesis","Metabolism","Amino acid metabolism",8,28,0.01342014,{"v":0.2345394,"d":"2.35E-01"},"POS00012;POS00348;NEG00035;NEG00571;NEG06053;NEG06059;NEG06201;NEG06316","C00327+C00062+C00437+C00624+C00077+C00327+C00064+C04133"]
["ko00030","Pentose phosphate pathway","Metabolism","Carbohydrate metabolism",7,23,0.01430118,{"v":0.2345394,"d":"2.35E-01"},"POS04206;NEG00027;NEG00042;NEG00169;NEG06543;NEG06557;NEG06565","C00279+C00197+C00345+C01801+C00117+C05382+C01236"]
["ko00520","Amino sugar and nucleotide sugar metabolism","Metabolism","Carbohydrate metabolism",6,21,0.03117459,{"v":0.4260527,"d":"4.26E-01"},"POS00189;POS06586;NEG05200;NEG05797;NEG06427;NEG06486","C00275+C20082+C00140+C19972+C00096+C00352"]
["ko00330","Arginine and proline metabolism","Metabolism","Amino acid metabolism",13,70,0.06559266,{"v":0.7683712,"d":"7.68E-01"},"POS00065;POS00136;POS00223;POS00250;POS00348;POS00660;POS02043;POS02579;NEG04873;NEG05757;NEG05869;NEG05879;NEG06053","C00019+C03771+C03415+C00213+C00062+C00134+C02714+C00315+C10497+C03771+C15700+C00148+C00077"]
["ko00261","Monobactam biosynthesis","Metabolism","Biosynthesis of other secondary metabolites",9,45,0.07891755,{"v":0.8089049,"d":"8.09E-01"},"POS00065;POS00348;POS00360;NEG00628;NEG04607;NEG05237;NEG05798;NEG05856;NEG06487","C00019+C00062+C00082+C20918+C00082+C17355+C20916+C20917+C20913"]
["ko00480","Glutathione metabolism","Metabolism","Metabolism of other amino acids",7,34,0.1010535,{"v":0.8131724,"d":"8.13E-01"},"POS00243;POS00660;POS02579;POS07786;NEG00104;NEG02524;NEG06053","C01879+C00134+C00315+C00127+C03740+C03646+C00077"]
["ko00780","Biotin metabolism","Metabolism","Metabolism of cofactors and vitamins",3,10,0.1065244,{"v":0.8131724,"d":"8.13E-01"},"POS07727;NEG00619;NEG04995","C05921+C02656+C20386"]
["ko01230","Biosynthesis of amino acids","Metabolism","Global and overview maps",27,179,0.1090841,{"v":0.8131724,"d":"8.13E-01"},"POS00012;POS00065;POS00066;POS00348;POS00360;POS04206;NEG00027;NEG00034;NEG00035;NEG00046;NEG00196;NEG00526;NEG00571;NEG02933;NEG04607;NEG04908;NEG05239;NEG05566;NEG05845;NEG05879;NEG06053;NEG06059;NEG06201;NEG06316;NEG06543;NEG06557;NEG06632","C00327+C00019+C00956+C00062+C00082+C00279+C00197+C00449+C00437+C02504+C00183+C00078+C00624+C00111+C00082+C03539+C00021+C04462+C00956+C00148+C00077+C00327+C00064+C04133+C00117+C05382+C00074"]
["ko00510","N-Glycan biosynthesis","Metabolism","Glycan biosynthesis and metabolism",1,1,0.1191874,{"v":0.8144472,"d":"8.14E-01"},"NEG06427","C00096"]
["ko00750","Vitamin B6 metabolism","Metabolism","Metabolism of cofactors and vitamins",4,17,0.1349572,{"v":0.8512685,"d":"8.51E-01"},"POS04206;POS05266;NEG04515;NEG04983","C00279+C00647+C00627+C06050"]
["ko00909","Sesquiterpenoid and triterpenoid biosynthesis","Metabolism","Metabolism of terpenoids and polyketides",2,6,0.1536803,{"v":0.8545552,"d":"8.55E-01"},"POS04329;NEG05719","C01841+C00448"]
["ko00500","Starch and sucrose metabolism","Metabolism","Carbohydrate metabolism",3,12,0.1638196,{"v":0.8545552,"d":"8.55E-01"},"POS05490;NEG00007;NEG00056","C00085+C00089+C00092"]
["ko00730","Thiamine metabolism","Metabolism","Metabolism of cofactors and vitamins",7,40,0.1915706,{"v":0.8545552,"d":"8.55E-01"},"POS00360;POS00418;POS05840;NEG00101;NEG04607;NEG05774;NEG06073","C00082+C15809+C02892+C00003+C00082+C00068+C04556"]
["ko04931","Insulin resistance","Human Diseases","Endocrine and metabolic diseases",3,13,0.1952542,{"v":0.8545552,"d":"8.55E-01"},"POS05490;NEG00056;NEG06486","C00085+C00092+C00352"]
["ko00565","Ether lipid metabolism","Metabolism","Lipid metabolism",2,7,0.1988945,{"v":0.8545552,"d":"8.55E-01"},"POS00118;POS07591","C00670+C04598"]
["ko00380","Tryptophan metabolism","Metabolism","Amino acid metabolism",17,115,0.2013004,{"v":0.8545552,"d":"8.55E-01"},"POS00177;POS04646;NEG00059;NEG00066;NEG00144;NEG00526;NEG04415;NEG04778;NEG04933;NEG05027;NEG05037;NEG05121;NEG05192;NEG05202;NEG05389;NEG05953;NEG06097","C01717+C00978+C00637+C00955+C00954+C00078+C00331+C05635+C05646+C00398+C00463+C01717+C00643+C02700+C00328+C02938+C00780"]
["ko00052","Galactose metabolism","Metabolism","Carbohydrate metabolism",4,20,0.2084281,{"v":0.8545552,"d":"8.55E-01"},"POS00327;POS05490;NEG00007;NEG02933","C05402+C00085+C00089+C00111"]
["ko00332","Carbapenem biosynthesis","Metabolism","Biosynthesis of other secondary metabolites",2,8,0.2453852,{"v":0.8770581,"d":"8.77E-01"},"NEG04861;NEG05879","C00831+C00148"]
["ko00563","Glycosylphosphatidylinositol(GPI)-anchor biosynthesis","Metabolism","Glycan biosynthesis and metabolism",7,43,0.2460041,{"v":0.8770581,"d":"8.77E-01"},"NEG01780;NEG01894;NEG02295;NEG02512;NEG02545;NEG02602;NEG02973","C00350+C00350+C00350+C00350+C00350+C00350+C00350"]
["ko04140","Autophagy - animal","Cellular Processes","Transport and catabolism",7,43,0.2460041,{"v":0.8770581,"d":"8.77E-01"},"NEG01780;NEG01894;NEG02295;NEG02512;NEG02545;NEG02602;NEG02973","C00350+C00350+C00350+C00350+C00350+C00350+C00350"]
["ko00906","Carotenoid biosynthesis","Metabolism","Metabolism of terpenoids and polyketides",3,15,0.2616749,{"v":0.8940559,"d":"8.94E-01"},"NEG00662;NEG02117;NEG05719","C15914+C15969+C00448"]
["ko00562","Inositol phosphate metabolism","Metabolism","Carbohydrate metabolism",2,9,0.2922099,{"v":0.9337893,"d":"9.34E-01"},"NEG00056;NEG02933","C00092+C00111"]
["ko00620","Pyruvate metabolism","Metabolism","Carbohydrate metabolism",5,31,0.307023,{"v":0.9337893,"d":"9.34E-01"},"NEG00046;NEG00375;NEG05774;NEG06499;NEG06632","C02504+C00149+C00068+C03451+C00074"]
["ko04122","Sulfur relay system","Genetic Information Processing","Folding, sorting and degradation",1,3,0.3167637,{"v":0.9337893,"d":"9.34E-01"},"POS00065","C00019"]
["ko00051","Fructose and mannose metabolism","Metabolism","Carbohydrate metabolism",4,24,0.3188549,{"v":0.9337893,"d":"9.34E-01"},"POS00189;NEG02933;NEG06065;NEG06427","C00275+C00111+C11544+C00096"]
["ko00564","Glycerophospholipid metabolism","Metabolism","Lipid metabolism",16,122,0.3799727,{"v":0.9999998,"d":"1.00E+00"},"POS00118;POS00174;POS07470;POS07490;POS07569;POS07673;POS08022;NEG01780;NEG01894;NEG02094;NEG02295;NEG02512;NEG02545;NEG02602;NEG02933;NEG02973","C00670+C04230+C00307+C04230+C04230+C04230+C00157+C00350+C00350+C02737+C00350+C00350+C00350+C00350+C00111+C00350"]
["ko00254","Aflatoxin biosynthesis","Metabolism","Biosynthesis of other secondary metabolites",1,4,0.3983072,{"v":0.9999998,"d":"1.00E+00"},"NEG06069","C03683"]
["ko00670","One carbon pool by folate","Metabolism","Metabolism of cofactors and vitamins",1,4,0.3983072,{"v":0.9999998,"d":"1.00E+00"},"NEG04911","C00664"]
["ko01053","Biosynthesis of siderophore group nonribosomal peptides","Metabolism","Metabolism of terpenoids and polyketides",1,4,0.3983072,{"v":0.9999998,"d":"1.00E+00"},"POS08066","C12219"]
["ko00010","Glycolysis / Gluconeogenesis","Metabolism","Carbohydrate metabolism",4,27,0.4045361,{"v":0.9999998,"d":"1.00E+00"},"NEG00027;NEG02933;NEG05774;NEG06632","C00197+C00111+C00068+C00074"]
["ko00790","Folate biosynthesis","Metabolism","Metabolism of cofactors and vitamins",3,21,0.465571,{"v":0.9999998,"d":"1.00E+00"},"POS04708;NEG05977;NEG06055","C02587+C09332+C15522"]
["ko00970","Aminoacyl-tRNA biosynthesis","Genetic Information Processing","Translation",7,54,0.4683663,{"v":0.9999998,"d":"1.00E+00"},"POS00348;POS00360;NEG00196;NEG00526;NEG04607;NEG05879;NEG06201","C00062+C00082+C00183+C00078+C00082+C00148+C00064"]
["ko00400","Phenylalanine, tyrosine and tryptophan biosynthesis","Metabolism","Amino acid metabolism",7,55,0.4885821,{"v":0.9999998,"d":"1.00E+00"},"POS00360;POS03945;POS04206;NEG00526;NEG04607;NEG05037;NEG06632","C00082+C16850+C00279+C00078+C00082+C00463+C00074"]
["ko00860","Porphyrin and chlorophyll metabolism","Metabolism","Metabolism of cofactors and vitamins",2,14,0.5108886,{"v":0.9999998,"d":"1.00E+00"},"POS08072;NEG02111","C05307+C11850"]
["ko00300","Lysine biosynthesis","Metabolism","Amino acid metabolism",4,31,0.5148943,{"v":0.9999998,"d":"1.00E+00"},"POS00066;NEG00034;NEG05566;NEG05845","C00956+C00449+C04462+C00956"]
["ko01100","Metabolic pathways","Metabolism","Global and overview maps",132,1108,0.5292494,{"v":0.9999998,"d":"1.00E+00"},"POS00012;POS00025;POS00065;POS00066;POS00091;POS00112;POS00136;POS00177;POS00189;POS00209;POS00223;POS00243;POS00250;POS00348;POS00360;POS00418;POS00660;POS01808;POS02043;POS02579;POS03265;POS03347;POS03509;POS03957;POS04206;POS04646;POS04821;POS05266;POS05295;POS05410;POS05490;POS05840;POS06159;POS06237;POS06293;POS06350;POS06516;POS06839;POS07470;POS07591;POS07727;POS08022;POS08072;NEG00007;NEG00027;NEG00034;NEG00035;NEG00042;NEG00043;NEG00046;NEG00056;NEG00059;NEG00070;NEG00078;NEG00096;NEG00101;NEG00104;NEG00144;NEG00196;NEG00375;NEG00526;NEG00571;NEG00619;NEG01702;NEG01780;NEG01894;NEG02094;NEG02295;NEG02382;NEG02512;NEG02545;NEG02602;NEG02708;NEG02933;NEG02973;NEG04109;NEG04190;NEG04415;NEG04439;NEG04515;NEG04607;NEG04778;NEG04902;NEG04908;NEG04911;NEG04995;NEG05027;NEG05037;NEG05121;NEG05153;NEG05177;NEG05192;NEG05194;NEG05200;NEG05202;NEG05239;NEG05389;NEG05450;NEG05455;NEG05566;NEG05704;NEG05719;NEG05744;NEG05757;NEG05773;NEG05774;NEG05794;NEG05837;NEG05845;NEG05869;NEG05879;NEG05885;NEG05900;NEG06053;NEG06055;NEG06059;NEG06073;NEG06081;NEG06097;NEG06183;NEG06201;NEG06208;NEG06316;NEG06427;NEG06486;NEG06543;NEG06557;NEG06565;NEG06593;NEG06632;NEG06650;NEG06722","C00327+C00515+C00019+C00956+C00144+C05841+C03771+C01717+C00275+C02934+C03415+C01879+C00213+C00062+C00082+C15809+C00134+C03167+C02714+C00315+C08060+C06553+C00499+C06329+C00279+C00978+C12835+C00647+C07734+C16186+C00085+C02892+C03033+C00389+C02515+C06173+C02106+C05556+C00307+C04598+C05921+C00157+C05307+C00089+C00197+C00449+C00437+C00345+C00385+C02504+C00092+C00637+C00015+C00020+C06104+C00003+C03740+C00954+C00183+C00149+C00078+C00624+C02656+C03366+C00350+C00350+C02737+C00350+C04722+C00350+C00350+C00350+C12126+C00111+C00350+C11435+C19787+C00331+C18910+C00627+C00082+C05635+C08062+C03539+C00664+C20386+C00398+C00463+C01717+C00212+C00601+C00643+C00882+C00140+C02700+C00021+C00328+C12270+C00299+C04462+C00408+C00448+C12137+C03771+C06551+C00068+C06171+C03470+C00956+C15700+C00148+C00439+C00386+C00077+C15522+C00327+C04556+C04352+C00780+C00475+C00064+C00916+C04133+C00096+C00352+C00117+C05382+C01236+C00112+C00074+C00075+C00447"]
["ko00910","Nitrogen metabolism","Metabolism","Energy metabolism",1,6,0.5334453,{"v":0.9999998,"d":"1.00E+00"},"NEG06201","C00064"]
["ko00310","Lysine degradation","Metabolism","Amino acid metabolism",6,49,0.5385649,{"v":0.9999998,"d":"1.00E+00"},"POS00066;POS00269;NEG00034;NEG01702;NEG05704;NEG05845","C00956+C02727+C00449+C03366+C00408+C00956"]
["ko00460","Cyanoamino acid metabolism","Metabolism","Metabolism of other amino acids",5,42,0.5733847,{"v":0.9999998,"d":"1.00E+00"},"POS00360;POS04529;NEG00196;NEG00203;NEG04607","C00082+C15503+C00183+C01401+C00082"]
["ko01110","Biosynthesis of secondary metabolites","Metabolism","Global and overview maps",72,611,0.5738041,{"v":0.9999998,"d":"1.00E+00"},"POS00012;POS00065;POS00066;POS00189;POS00348;POS00360;POS00660;POS03945;POS04206;POS04529;POS06237;POS06350;POS06516;POS06650;POS07159;POS07340;POS07394;POS08022;POS08066;POS08072;NEG00027;NEG00034;NEG00035;NEG00042;NEG00043;NEG00046;NEG00078;NEG00196;NEG00375;NEG00526;NEG00571;NEG01137;NEG01780;NEG01894;NEG02094;NEG02295;NEG02512;NEG02545;NEG02602;NEG02616;NEG02933;NEG02973;NEG03362;NEG04109;NEG04240;NEG04607;NEG04769;NEG05027;NEG05037;NEG05165;NEG05704;NEG05719;NEG05744;NEG05794;NEG05812;NEG05837;NEG05845;NEG05879;NEG05892;NEG06043;NEG06053;NEG06058;NEG06059;NEG06072;NEG06316;NEG06427;NEG06447;NEG06489;NEG06543;NEG06557;NEG06565;NEG06632","C00327+C00019+C00956+C00275+C00062+C00082+C00134+C16850+C00279+C15503+C00389+C06173+C02106+C04118+C20773+C03313+C09390+C00157+C12219+C05307+C00197+C00449+C00437+C00345+C00385+C02504+C00020+C00183+C00149+C00078+C00624+C14154+C00350+C00350+C02737+C00350+C00350+C00350+C00350+C20586+C00111+C00350+C01735+C11435+C02673+C00082+C00814+C00398+C00463+C10722+C00408+C00448+C12137+C06171+C02134+C03470+C00956+C00148+C05909+C02890+C00077+C00774+C00327+C01701+C04133+C00096+C05906+C08565+C00117+C05382+C01236+C00074"]
["ko00020","Citrate cycle (TCA cycle)","Metabolism","Carbohydrate metabolism",3,26,0.6150732,{"v":0.9999998,"d":"1.00E+00"},"NEG00375;NEG05774;NEG06632","C00149+C00068+C00074"]
["ko00350","Tyrosine metabolism","Metabolism","Amino acid metabolism",5,45,0.6370627,{"v":0.9999998,"d":"1.00E+00"},"POS00360;POS04069;POS06293;NEG04607;NEG05076","C00082+C04045+C02515+C00082+C17935"]
["ko00770","Pantothenate and CoA biosynthesis","Metabolism","Metabolism of cofactors and vitamins",5,45,0.6370627,{"v":0.9999998,"d":"1.00E+00"},"POS06466;NEG00196;NEG04861;NEG05194;NEG06081","C04079+C00183+C00831+C00882+C04352"]
["ko00100","Steroid biosynthesis","Metabolism","Lipid metabolism",1,8,0.6383207,{"v":0.9999998,"d":"1.00E+00"},"NEG05719","C00448"]
["ko00900","Terpenoid backbone biosynthesis","Metabolism","Metabolism of terpenoids and polyketides",2,18,0.6512362,{"v":0.9999998,"d":"1.00E+00"},"NEG04109;NEG05719","C11435+C00448"]
["ko00340","Histidine metabolism","Metabolism","Amino acid metabolism",4,39,0.7011726,{"v":0.9999998,"d":"1.00E+00"},"POS03317;NEG05212;NEG05885;NEG05900","C01152+C05131+C00439+C00386"]
["ko00280","Valine, leucine and isoleucine degradation","Metabolism","Amino acid metabolism",3,30,0.7126174,{"v":0.9999998,"d":"1.00E+00"},"NEG00196;NEG05774;NEG06230","C00183+C00068+C15976"]
["ko00240","Pyrimidine metabolism","Metabolism","Nucleotide metabolism",6,59,0.7231356,{"v":0.9999998,"d":"1.00E+00"},"NEG00070;NEG05455;NEG06183;NEG06201;NEG06593;NEG06650","C00015+C00299+C00475+C00064+C00112+C00075"]
["ko00053","Ascorbate and aldarate metabolism","Metabolism","Carbohydrate metabolism",2,21,0.7340655,{"v":0.9999998,"d":"1.00E+00"},"POS05410;NEG06427","C16186+C00096"]
["ko00640","Propanoate metabolism","Metabolism","Carbohydrate metabolism",2,21,0.7340655,{"v":0.9999998,"d":"1.00E+00"},"NEG02933;NEG05774","C00111+C00068"]
["ko00130","Ubiquinone and other terpenoid-quinone biosynthesis","Metabolism","Metabolism of cofactors and vitamins",5,51,0.7455758,{"v":0.9999998,"d":"1.00E+00"},"POS00360;POS07159;POS07340;NEG01137;NEG04607","C00082+C20773+C03313+C14154+C00082"]
["ko00232","Caffeine metabolism","Metabolism","Biosynthesis of other secondary metabolites",2,22,0.7577087,{"v":0.9999998,"d":"1.00E+00"},"POS04118;NEG00043","C16366+C00385"]
["ko00561","Glycerolipid metabolism","Metabolism","Lipid metabolism",2,22,0.7577087,{"v":0.9999998,"d":"1.00E+00"},"NEG00027;NEG02933","C00197+C00111"]
["ko00680","Methane metabolism","Metabolism","Energy metabolism",9,90,0.7647199,{"v":0.9999998,"d":"1.00E+00"},"POS00360;POS03088;POS04346;POS05490;NEG00027;NEG00375;NEG02933;NEG04607;NEG06632","C00082+C16593+C20954+C00085+C00197+C00149+C00111+C00082+C00074"]
["ko01200","Carbon metabolism","Metabolism","Global and overview maps",11,110,0.7807778,{"v":0.9999998,"d":"1.00E+00"},"POS04206;POS05490;NEG00027;NEG00042;NEG00375;NEG02933;NEG06543;NEG06557;NEG06565;NEG06632;NEG06722","C00279+C00085+C00197+C00345+C00149+C00111+C00117+C05382+C01236+C00074+C00447"]
["ko00600","Sphingolipid metabolism","Metabolism","Lipid metabolism",2,24,0.7995944,{"v":0.9999998,"d":"1.00E+00"},"POS00209;NEG02708","C02934+C12126"]
["ko02010","ABC transporters","Environmental Information Processing","Membrane transport",12,122,0.8069857,{"v":0.9999998,"d":"1.00E+00"},"POS00327;POS00348;POS00660;POS02579;POS03738;NEG00007;NEG00196;NEG05200;NEG05816;NEG05879;NEG06053;NEG06201","C05402+C00062+C00134+C00315+C00919+C00089+C00183+C00140+C04114+C00148+C00077+C00064"]
["ko01502","Vancomycin resistance","Human Diseases","Drug resistance",1,13,0.8088351,{"v":0.9999998,"d":"1.00E+00"},"NEG06051","C19719"]
["ko00250","Alanine, aspartate and glutamate metabolism","Metabolism","Amino acid metabolism",3,36,0.8217569,{"v":0.9999998,"d":"1.00E+00"},"NEG05450;NEG06201;NEG06486","C12270+C00064+C00352"]
["ko00260","Glycine, serine and threonine metabolism","Metabolism","Amino acid metabolism",5,57,0.8282296,{"v":0.9999998,"d":"1.00E+00"},"POS00250;POS05651;NEG00027;NEG00526;NEG02094","C00213+C01726+C00197+C00078+C02737"]
["ko00040","Pentose and glucuronate interconversions","Metabolism","Carbohydrate metabolism",2,26,0.8349519,{"v":0.9999998,"d":"1.00E+00"},"POS06159;NEG02933","C03033+C00111"]
["ko00660","C5-Branched dibasic acid metabolism","Metabolism","Carbohydrate metabolism",2,27,0.8504368,{"v":0.9999998,"d":"1.00E+00"},"POS00099;NEG00668","C01109+C06034"]
["ko00190","Oxidative phosphorylation","Metabolism","Energy metabolism",1,18,0.8991162,{"v":0.9999998,"d":"1.00E+00"},"NEG00101","C00003"]
["ko00403","Indole diterpene alkaloid biosynthesis","Metabolism","Biosynthesis of other secondary metabolites",1,18,0.8991162,{"v":0.9999998,"d":"1.00E+00"},"NEG02616","C20586"]
["ko00740","Riboflavin metabolism","Metabolism","Metabolism of cofactors and vitamins",1,18,0.8991162,{"v":0.9999998,"d":"1.00E+00"},"NEG04439","C18910"]
["ko00760","Nicotinate and nicotinamide metabolism","Metabolism","Metabolism of cofactors and vitamins",3,43,0.9026195,{"v":0.9999998,"d":"1.00E+00"},"POS00112;NEG00101;NEG02933","C05841+C00003+C00111"]
["ko00270","Cysteine and methionine metabolism","Metabolism","Amino acid metabolism",5,69,0.9286955,{"v":0.9999998,"d":"1.00E+00"},"POS00065;NEG04190;NEG04908;NEG05239;NEG05763","C00019+C19787+C03539+C00021+C05526"]
["ko00920","Sulfur metabolism","Metabolism","Energy metabolism",1,21,0.9313017,{"v":0.9999998,"d":"1.00E+00"},"NEG05680","C04022"]
["ko00230","Purine metabolism","Metabolism","Nucleotide metabolism",8,102,0.9344283,{"v":0.9999998,"d":"1.00E+00"},"POS00091;POS03509;NEG00043;NEG00064;NEG00078;NEG05153;NEG06201;NEG06543","C00144+C00499+C00385+C01367+C00020+C00212+C00064+C00117"]
["ko01210","2-Oxocarboxylic acid metabolism","Metabolism","Global and overview maps",14,165,0.943534,{"v":0.9999998,"d":"1.00E+00"},"POS00066;POS00360;POS03527;POS04676;NEG00035;NEG00046;NEG00196;NEG00526;NEG00571;NEG04607;NEG05207;NEG05845;NEG06053;NEG06316","C00956+C00082+C17217+C17229+C00437+C02504+C00183+C00078+C00624+C00082+C17226+C00956+C00077+C04133"]
["ko00410","beta-Alanine metabolism","Metabolism","Metabolism of other amino acids",2,37,0.9465193,{"v":0.9999998,"d":"1.00E+00"},"POS02579;NEG05900","C00315+C00386"]
["ko00360","Phenylalanine metabolism","Metabolism","Amino acid metabolism",4,69,0.9729339,{"v":0.9999998,"d":"1.00E+00"},"POS00360;NEG04607;NEG05029;NEG05177","C00082+C00082+C04148+C00601"]
["ko00590","Arachidonic acid metabolism","Metabolism","Lipid metabolism",2,45,0.9774975,{"v":0.9999998,"d":"1.00E+00"},"POS08022;NEG01847","C00157+C04742"]
["ko00290","Valine, leucine and isoleucine biosynthesis","Metabolism","Amino acid metabolism",2,48,0.9838568,{"v":0.9999998,"d":"1.00E+00"},"NEG00046;NEG00196","C02504+C00183"]
["ko00630","Glyoxylate and dicarboxylate metabolism","Metabolism","Carbohydrate metabolism",4,82,0.9920364,{"v":0.9999998,"d":"1.00E+00"},"NEG00027;NEG00375;NEG00502;NEG06201","C00197+C00149+C01127+C00064"]
["ko00592","alpha-Linolenic acid metabolism","Metabolism","Lipid metabolism",1,38,0.9922964,{"v":0.9999998,"d":"1.00E+00"},"POS08022","C00157"]
["ko00591","Linoleic acid metabolism","Metabolism","Lipid metabolism",1,50,0.9983739,{"v":0.9999998,"d":"1.00E+00"},"POS08022","C00157"]
["ko01220","Degradation of aromatic compounds","Metabolism","Global and overview maps",6,138,0.9995659,{"v":0.9999998,"d":"1.00E+00"},"POS03265;POS03957;POS05295;NEG00096;NEG04902;NEG06463","C08060+C06329+C07734+C06104+C08062+C16483"]
["ko01120","Microbial metabolism in diverse environments","Metabolism","Global and overview maps",42,626,0.9999998,{"v":0.9999998,"d":"1.00E+00"},"POS01808;POS01921;POS02825;POS03088;POS03265;POS03347;POS03509;POS03739;POS03957;POS04206;POS04821;POS04989;POS05034;POS05295;POS05410;POS05490;POS06174;POS07384;NEG00027;NEG00042;NEG00043;NEG00096;NEG00150;NEG00375;NEG00624;NEG00666;NEG02933;NEG04883;NEG04902;NEG04983;NEG05177;NEG05285;NEG05566;NEG05773;NEG06201;NEG06363;NEG06463;NEG06543;NEG06557;NEG06565;NEG06632;NEG06722","C03167+C08733+C16283+C16593+C08060+C06553+C00499+C16403+C06329+C00279+C12835+C18250+C18249+C07734+C16186+C00085+C18269+C13621+C00197+C00345+C00385+C06104+C00870+C00149+C14519+C02235+C00111+C01255+C08062+C06050+C00601+C14148+C04462+C06551+C00064+C06673+C16483+C00117+C05382+C01236+C00074+C00447"]
[]
[null,"The shared enriched pathway in TM vs. TM-06T, TM vs. TM-15T, and TM-06T vs. TM-TP"]

{"sheet":"Table S2-7","index":6,"n_rows":77,"n_cols":10,"rows_kept":77,"merged":[[0,0,0,9]],"flags":["formulas_cached_only"]}
["Table S2-7 Enriched KEGG pathways in TM-06T vs. TM-TP"]
["Pathway ID","Pathway","KEGG A class","KEGG B class","Differential number of metabolites (165)","All number of metabolites (2215)","P-value","Q-value","Metabolite ID","C ID"]
["ko01130","Biosynthesis of antibiotics","Metabolism","Global and overview maps",50,440,0.0005839043,0.04262501,"POS00065;POS00360;POS00660;POS01674;POS03460;POS03945;POS04424;POS04667;POS06118;POS06539;POS06806;POS06839;POS07049;POS07066;POS07190;POS07308;POS07405;POS07565;NEG00035;NEG00042;NEG00056;NEG00111;NEG00161;NEG00196;NEG02933;NEG03172;NEG03206;NEG03389;NEG03887;NEG03898;NEG04004;NEG04041;NEG04302;NEG04607;NEG04834;NEG04835;NEG05237;NEG05290;NEG05333;NEG05423;NEG05798;NEG05856;NEG05930;NEG06069;NEG06259;NEG06316;NEG06450;NEG06543;NEG06557;NEG06565","C00019+C00082+C00134+C00097+C00417+C16850+C17949+C04673+C03373+C06668+C01134+C05556+C12000+C01694+C12371+C06566+C11995+C11991+C00437+C00345+C00092+C00257+C00166+C00183+C00111+C00832+C20760+C21126+C17704+C14727+C21267+C17702+C12414+C00082+C21136+C21132+C17355+C00961+C20941+C01179+C20916+C20917+C12428+C03683+C00047+C04133+C00043+C00117+C05382+C01236"]
["ko00030","Pentose phosphate pathway","Metabolism","Carbohydrate metabolism",6,23,0.005417503,0.19773886,"NEG00042;NEG00111;NEG00169;NEG06543;NEG06557;NEG06565","C00345+C00257+C01801+C00117+C05382+C01236"]
["ko04122","Sulfur relay system","Genetic Information Processing","Folding, sorting and degradation",2,3,0.01574095,0.24023001,"POS00065;POS01674","C00019+C00097"]
["ko01110","Biosynthesis of secondary metabolites","Metabolism","Global and overview maps",58,611,0.01644505,0.24023001,"POS00034;POS00065;POS00360;POS00660;POS01674;POS02142;POS03460;POS03921;POS03945;POS06118;POS06516;POS06650;POS07159;POS07434;POS07573;NEG00035;NEG00042;NEG00043;NEG00046;NEG00111;NEG00161;NEG00196;NEG01694;NEG01780;NEG02616;NEG02933;NEG02973;NEG03216;NEG03559;NEG03909;NEG03950;NEG04240;NEG04278;NEG04291;NEG04607;NEG04617;NEG04769;NEG04920;NEG05106;NEG05138;NEG05250;NEG05269;NEG05321;NEG05423;NEG05699;NEG05744;NEG05794;NEG05812;NEG05819;NEG05837;NEG06058;NEG06259;NEG06316;NEG06427;NEG06521;NEG06543;NEG06557;NEG06565","C00253+C00019+C00082+C00134+C00097+C20313+C00417+C17220+C16850+C03373+C02106+C04118+C20773+C09421+C20546+C00437+C00345+C00385+C02504+C00257+C00166+C00183+C00350+C00350+C20586+C00111+C00350+C20542+C16540+C07544+C00500+C02673+C00590+C07576+C00082+C01617+C00814+C16353+C10556+C00032+C00757+C00073+C00355+C01179+C03648+C12137+C06171+C02134+C03309+C03470+C00774+C00047+C04133+C00096+C00093+C00117+C05382+C01236"]
["ko00311","Penicillin and cephalosporin biosynthesis","Metabolism","Biosynthesis of other secondary metabolites",4,14,0.01645411,0.24023001,"POS01674;POS06839;POS07308;NEG00196","C00097+C05556+C06566+C00183"]
["ko00254","Aflatoxin biosynthesis","Metabolism","Biosynthesis of other secondary metabolites",2,4,0.02994548,0.36433667,"NEG05290;NEG06069","C00961+C03683"]
["ko00403","Indole diterpene alkaloid biosynthesis","Metabolism","Biosynthesis of other secondary metabolites",4,18,0.0398362,0.41543466,"POS07573;NEG02616;NEG03203;NEG03216","C20546+C20586+C20601+C20542"]
["ko00261","Monobactam biosynthesis","Metabolism","Biosynthesis of other secondary metabolites",7,45,0.04570969,0.41710092,"POS00065;POS00360;NEG04607;NEG05237;NEG05423;NEG05798;NEG05856","C00019+C00082+C00082+C17355+C01179+C20916+C20917"]
["ko04931","Insulin resistance","Human Diseases","Endocrine and metabolic diseases",3,13,0.06670557,0.48916394,"POS05490;NEG00056;NEG06450","C00085+C00092+C00043"]
["ko01230","Biosynthesis of amino acids","Metabolism","Global and overview maps",19,179,0.06742716,0.48916394,"POS00065;POS00360;POS01674;NEG00035;NEG00046;NEG00161;NEG00196;NEG02933;NEG04607;NEG04908;NEG05239;NEG05269;NEG05423;NEG05566;NEG05720;NEG06259;NEG06316;NEG06543;NEG06557","C00019+C00082+C00097+C00437+C02504+C00166+C00183+C00111+C00082+C03539+C00021+C00073+C01179+C04462+C03283+C00047+C04133+C00117+C05382"]
["ko00510","N-Glycan biosynthesis","Metabolism","Glycan biosynthesis and metabolism",1,1,0.0744921,0.48916394,"NEG06427","C00096"]
["ko00860","Porphyrin and chlorophyll metabolism","Metabolism","Metabolism of cofactors and vitamins",3,14,0.08041051,0.48916394,"NEG03559;NEG03950;NEG05138","C16540+C00500+C00032"]
["ko00460","Cyanoamino acid metabolism","Metabolism","Metabolism of other amino acids",6,42,0.08745182,0.4910756,"POS00360;POS01674;POS02142;NEG00196;NEG00203;NEG04607","C00082+C00097+C20313+C00183+C01401+C00082"]
["ko01210","2-Oxocarboxylic acid metabolism","Metabolism","Global and overview maps",17,165,0.1007362,0.52363356,"POS00360;POS03460;POS03527;POS03921;POS04676;NEG00035;NEG00046;NEG00161;NEG00196;NEG00653;NEG04607;NEG05207;NEG05269;NEG05423;NEG05720;NEG06259;NEG06316","C00082+C00417+C17217+C17220+C17229+C00437+C02504+C00166+C00183+C20581+C00082+C17226+C00073+C01179+C03283+C00047+C04133"]
["ko00350","Tyrosine metabolism","Metabolism","Amino acid metabolism",6,45,0.1133027,0.52363356,"POS00360;POS06293;NEG04607;NEG05076;NEG05321;NEG05423","C00082+C02515+C00082+C17935+C00355+C01179"]
["ko00332","Carbapenem biosynthesis","Metabolism","Biosynthesis of other secondary metabolites",2,8,0.114769,0.52363356,"POS01674;POS06806","C00097+C01134"]
["ko00270","Cysteine and methionine metabolism","Metabolism","Amino acid metabolism",8,69,0.1369418,0.57016366,"POS00065;POS01674;NEG03663;NEG04190;NEG04784;NEG04908;NEG05239;NEG05269","C00019+C00097+C00170+C19787+C02989+C03539+C00021+C00073"]
["ko00562","Inositol phosphate metabolism","Metabolism","Carbohydrate metabolism",2,9,0.1405883,0.57016366,"NEG00056;NEG02933","C00092+C00111"]
["ko00520","Amino sugar and nucleotide sugar metabolism","Metabolism","Carbohydrate metabolism",3,21,0.2022638,0.74116535,"POS06586;NEG06427;NEG06450","C20082+C00096+C00043"]
["ko00970","Aminoacyl-tRNA biosynthesis","Genetic Information Processing","Translation",6,54,0.2101684,0.74116535,"POS00360;POS01674;NEG00196;NEG04607;NEG05269;NEG06259","C00082+C00097+C00183+C00082+C00073+C00047"]
["ko00232","Caffeine metabolism","Metabolism","Biosynthesis of other secondary metabolites",3,22,0.2222596,0.74116535,"POS03700;NEG00043;NEG04920","C16355+C00385+C16353"]
["ko00500","Starch and sucrose metabolism","Metabolism","Carbohydrate metabolism",2,12,0.2233649,0.74116535,"POS05490;NEG00056","C00085+C00092"]
["ko00480","Glutathione metabolism","Metabolism","Metabolism of other amino acids",4,34,0.244416,0.74812843,"POS00660;POS01674;POS02579;NEG00104","C00134+C00097+C00315+C03740"]
["ko00330","Arginine and proline metabolism","Metabolism","Amino acid metabolism",7,70,0.2628262,0.74812843,"POS00065;POS00223;POS00250;POS00660;POS02579;NEG04873;NEG05803","C00019+C03415+C00213+C00134+C00315+C10497+C00884"]
["ko00051","Fructose and mannose metabolism","Metabolism","Carbohydrate metabolism",3,24,0.2632919,0.74812843,"NEG02933;NEG06065;NEG06427","C00111+C11544+C00096"]
["ko00670","One carbon pool by folate","Metabolism","Metabolism of cofactors and vitamins",1,4,0.2664567,0.74812843,"NEG05818","C00440"]
["ko00564","Glycerophospholipid metabolism","Metabolism","Lipid metabolism",11,122,0.2966071,0.80193771,"POS00174;POS07470;POS07490;POS07661;POS07673;NEG01694;NEG01780;NEG02921;NEG02933;NEG02973;NEG06521","C04230+C00307+C04230+C04230+C04230+C00350+C00350+C04230+C00111+C00350+C00093"]
["ko00130","Ubiquinone and other terpenoid-quinone biosynthesis","Metabolism","Metabolism of cofactors and vitamins",5,51,0.3296793,0.85952103,"POS00360;POS07159;NEG03326;NEG04607;NEG05423","C00082+C20773+C03993+C00082+C01179"]
["ko00730","Thiamine metabolism","Metabolism","Metabolism of cofactors and vitamins",4,40,0.3477168,0.87528712,"POS00360;POS01674;POS06118;NEG04607","C00082+C00097+C03373+C00082"]
["ko00400","Phenylalanine, tyrosine and tryptophan biosynthesis","Metabolism","Amino acid metabolism",5,55,0.3908205,0.92976367,"POS00360;POS03945;NEG00161;NEG04607;NEG05423","C00082+C16850+C00166+C00082+C01179"]
["ko00360","Phenylalanine metabolism","Metabolism","Amino acid metabolism",6,69,0.4096407,0.92976367,"POS00360;POS04383;NEG00040;NEG00161;NEG04607;NEG05177","C00082+C03519+C05620+C00166+C00082+C00601"]
["ko00565","Ether lipid metabolism","Metabolism","Lipid metabolism",1,7,0.4187957,0.92976367,"POS07591","C04598"]
["ko00770","Pantothenate and CoA biosynthesis","Metabolism","Metabolism of cofactors and vitamins",4,45,0.4347544,0.92976367,"POS01674;POS06806;NEG00196;NEG05194","C00097+C01134+C00183+C00882"]
["ko01200","Carbon metabolism","Metabolism","Global and overview maps",9,110,0.4359495,0.92976367,"POS01674;POS05490;NEG00042;NEG00111;NEG02933;NEG05818;NEG06543;NEG06557;NEG06565","C00097+C00085+C00345+C00257+C00111+C00440+C00117+C05382+C01236"]
["ko00052","Galactose metabolism","Metabolism","Carbohydrate metabolism",2,20,0.4457771,0.92976367,"POS05490;NEG02933","C00085+C00111"]
["ko00100","Steroid biosynthesis","Metabolism","Lipid metabolism",1,8,0.4622281,0.93007919,"POS07066","C01694"]
["ko00920","Sulfur metabolism","Metabolism","Energy metabolism",2,21,0.47141,0.93007919,"POS01674;NEG05680","C00097+C04022"]
["ko00561","Glycerolipid metabolism","Metabolism","Lipid metabolism",2,22,0.4963251,0.95346664,"NEG02933;NEG06521","C00111+C00093"]
["ko00780","Biotin metabolism","Metabolism","Metabolism of cofactors and vitamins",1,10,0.5396491,0.98482642,"NEG06259","C00047"]
["ko00340","Histidine metabolism","Metabolism","Amino acid metabolism",3,39,0.5651229,0.98482642,"POS03317;NEG00636;NEG05996","C01152+C03277+C03680"]
["ko00040","Pentose and glucuronate interconversions","Metabolism","Carbohydrate metabolism",2,26,0.5882236,0.98482642,"POS06159;NEG02933","C03033+C00111"]
["ko00660","C5-Branched dibasic acid metabolism","Metabolism","Carbohydrate metabolism",2,27,0.6091812,0.98482642,"POS03460;NEG00668","C00417+C06034"]
["ko00220","Arginine biosynthesis","Metabolism","Amino acid metabolism",2,28,0.6293237,0.98482642,"NEG00035;NEG06316","C00437+C04133"]
["ko00563","Glycosylphosphatidylinositol(GPI)-anchor biosynthesis","Metabolism","Glycan biosynthesis and metabolism",3,43,0.6328683,0.98482642,"NEG01694;NEG01780;NEG02973","C00350+C00350+C00350"]
["ko04140","Autophagy - animal","Cellular Processes","Transport and catabolism",3,43,0.6328683,0.98482642,"NEG01694;NEG01780;NEG02973","C00350+C00350+C00350"]
["ko01502","Vancomycin resistance","Human Diseases","Drug resistance",1,13,0.635493,0.98482642,"NEG06450","C00043"]
["ko00300","Lysine biosynthesis","Metabolism","Amino acid metabolism",2,31,0.6849224,0.98482642,"NEG05566;NEG06259","C04462+C00047"]
["ko00620","Pyruvate metabolism","Metabolism","Carbohydrate metabolism",2,31,0.6849224,0.98482642,"NEG00046;NEG06499","C02504+C03451"]
["ko02010","ABC transporters","Environmental Information Processing","Membrane transport",8,122,0.702385,0.98482642,"POS00660;POS02579;POS03751;POS06335;NEG00196;NEG05138;NEG06259;NEG06521","C00134+C00315+C00753+C16692+C00183+C00032+C00047+C00093"]
["ko01220","Degradation of aromatic compounds","Metabolism","Global and overview maps",9,138,0.7149644,0.98482642,"POS00476;POS01094;POS03957;POS04260;POS04266;NEG00096;NEG04782;NEG04902;NEG06463","C01407+C07083+C06329+C02236+C03569+C06104+C01455+C08062+C16483"]
["ko00750","Vitamin B6 metabolism","Metabolism","Metabolism of cofactors and vitamins",1,17,0.7331269,0.98482642,"NEG04515","C00627"]
["ko00740","Riboflavin metabolism","Metabolism","Metabolism of cofactors and vitamins",1,18,0.7531606,0.98482642,"NEG05848","C01007"]
["ko01100","Metabolic pathways","Metabolism","Global and overview maps",78,1108,0.7925017,0.98482642,"POS00034;POS00065;POS00223;POS00250;POS00328;POS00360;POS00660;POS01094;POS01674;POS02579;POS03460;POS03957;POS04266;POS04646;POS05490;POS06118;POS06159;POS06293;POS06516;POS06806;POS06839;POS07066;POS07470;POS07591;NEG00035;NEG00042;NEG00043;NEG00046;NEG00056;NEG00096;NEG00104;NEG00111;NEG00161;NEG00196;NEG01694;NEG01780;NEG02708;NEG02933;NEG02973;NEG03559;NEG03663;NEG03950;NEG04190;NEG04278;NEG04515;NEG04607;NEG04617;NEG04782;NEG04902;NEG04908;NEG04920;NEG05138;NEG05177;NEG05194;NEG05239;NEG05269;NEG05292;NEG05321;NEG05423;NEG05450;NEG05566;NEG05699;NEG05720;NEG05744;NEG05794;NEG05818;NEG05819;NEG05837;NEG05848;NEG05996;NEG06259;NEG06316;NEG06427;NEG06450;NEG06521;NEG06543;NEG06557;NEG06565","C00253+C00019+C03415+C00213+C05925+C00082+C00134+C07083+C00097+C00315+C00417+C06329+C03569+C00978+C00085+C03373+C03033+C02515+C02106+C01134+C05556+C01694+C00307+C04598+C00437+C00345+C00385+C02504+C00092+C06104+C03740+C00257+C00166+C00183+C00350+C00350+C12126+C00111+C00350+C16540+C00170+C00500+C19787+C00590+C00627+C00082+C01617+C01455+C08062+C03539+C16353+C00032+C00601+C00882+C00021+C00073+C07715+C00355+C01179+C12270+C04462+C03648+C03283+C12137+C06171+C00440+C03309+C03470+C01007+C03680+C00047+C04133+C00096+C00043+C00093+C00117+C05382+C01236"]
["ko00053","Ascorbate and aldarate metabolism","Metabolism","Carbohydrate metabolism",1,21,0.8047247,0.98482642,"NEG06427","C00096"]
["ko00640","Propanoate metabolism","Metabolism","Carbohydrate metabolism",1,21,0.8047247,0.98482642,"NEG02933","C00111"]
["ko00790","Folate biosynthesis","Metabolism","Metabolism of cofactors and vitamins",1,21,0.8047247,0.98482642,"POS00328","C05925"]
["ko00260","Glycine, serine and threonine metabolism","Metabolism","Amino acid metabolism",3,57,0.8105769,0.98482642,"POS00250;POS01674;NEG05720","C00213+C00097+C03283"]
["ko00680","Methane metabolism","Metabolism","Energy metabolism",5,90,0.8146696,0.98482642,"POS00360;POS05490;NEG00653;NEG02933;NEG04607","C00082+C00085+C20581+C00111+C00082"]
["ko00760","Nicotinate and nicotinamide metabolism","Metabolism","Metabolism of cofactors and vitamins",2,43,0.8428467,0.98482642,"POS00034;NEG02933","C00253+C00111"]
["ko00600","Sphingolipid metabolism","Metabolism","Lipid metabolism",1,24,0.8455687,0.98482642,"NEG02708","C12126"]
["ko00020","Citrate cycle (TCA cycle)","Metabolism","Carbohydrate metabolism",1,26,0.8679577,0.98482642,"POS03460","C00417"]
["ko00010","Glycolysis / Gluconeogenesis","Metabolism","Carbohydrate metabolism",1,27,0.8779106,0.98482642,"NEG02933","C00111"]
["ko00290","Valine, leucine and isoleucine biosynthesis","Metabolism","Amino acid metabolism",2,48,0.8843521,0.98482642,"NEG00046;NEG00196","C02504+C00183"]
["ko00310","Lysine degradation","Metabolism","Amino acid metabolism",2,49,0.8913377,0.98482642,"NEG05759;NEG06259","C04020+C00047"]
["ko00280","Valine, leucine and isoleucine degradation","Metabolism","Amino acid metabolism",1,30,0.9035116,0.98482642,"NEG00196","C00183"]
["ko00250","Alanine, aspartate and glutamate metabolism","Metabolism","Amino acid metabolism",1,36,0.9397953,0.98482642,"NEG05450","C12270"]
["ko00380","Tryptophan metabolism","Metabolism","Amino acid metabolism",5,115,0.9406488,0.98482642,"POS04646;NEG00066;NEG04844;NEG05297;NEG05953","C00978+C00955+C02693+C02043+C02938"]
["ko00240","Pyrimidine metabolism","Metabolism","Nucleotide metabolism",2,59,0.9426123,0.98482642,"POS06279;POS06611","C02355+C03997"]
["ko00410","beta-Alanine metabolism","Metabolism","Metabolism of other amino acids",1,37,0.9443541,0.98482642,"POS02579","C00315"]
["ko00430","Taurine and hypotaurine metabolism","Metabolism","Metabolism of other amino acids",1,37,0.9443541,0.98482642,"POS01674","C00097"]
["ko00230","Purine metabolism","Metabolism","Nucleotide metabolism",3,102,0.9857936,0.9984534,"POS06118;NEG00043;NEG06543","C03373+C00385+C00117"]
["ko01120","Microbial metabolism in diverse environments","Metabolism","Global and overview maps",34,626,0.9922624,0.9984534,"POS00034;POS00309;POS00476;POS01094;POS01674;POS01921;POS03460;POS03957;POS04260;POS04266;POS05034;POS05490;NEG00042;NEG00043;NEG00096;NEG00111;NEG00653;NEG02933;NEG04782;NEG04902;NEG04920;NEG05177;NEG05285;NEG05292;NEG05300;NEG05566;NEG05720;NEG05818;NEG06259;NEG06463;NEG06543;NEG06557;NEG06565;NEG06714","C00253+C07720+C01407+C07083+C00097+C08733+C00417+C06329+C02236+C03569+C18249+C00085+C00345+C00385+C06104+C00257+C20581+C00111+C01455+C08062+C16353+C00601+C14148+C07715+C18261+C04462+C03283+C00440+C00047+C16483+C00117+C05382+C01236+C04115"]
["ko00630","Glyoxylate and dicarboxylate metabolism","Metabolism","Carbohydrate metabolism",1,82,0.9984534,0.9984534,"POS03460","C00417"]
[]
[null,"The shared enriched pathway in TM vs. TM-06T, TM vs. TM-15T, and TM-06T vs. TM-TP"]