40 samples internal metabolite concentrations FC values used for model simmulations

Selected Cell

Cell:

Value:

Sample_metadata REF log2 MEAN_FC SD_FC FC FC_BatchCorrected perturbations TFs Automated_SS_simulations_mean SamplesStandardDeviation_5.2 Genes

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# Refference blocks, use for normalization

		REF block 3			REF block 5			REF2 block 5			REF1 block 6			REF2 block 6			REF Tns block 6			REF Carolina block 6			REF block 7
	metabolite	-5.291235943508763	-5.103544545960096	-5.348987592535131	-3.2069495798466177	-3.594322047910481	-3.645710131768568	-3.3282251681104125	-4.300203638804396	-4.057887627644341	-3.615651048393792	-3.53244841586067	-3.5521225661088924	-3.8335064172153532	-3.8363868556295424	-3.852617832014743	-3.743615407928837	-3.480108812831077	-3.6670653056178018	-4.119245976528575	-3.9778968985451604	-3.920194761518429	-3.234159678653024	-3.2183638111862214	-3.3427126793668016
	Acetate [-H(+)]	-9.066506945022454	-9.063428693753687	-9.17163770925642	-8.349710017246984	-8.329841816061567	-8.330288174021497	-8.326886339467286	-8.284732497638071	-8.332642420197063	-8.68912679015451	-8.655919839104602	-8.785305052143155	-8.898783477299395	-8.895688116068243	-8.90346156571192	-8.719010231558157	-8.905889717256038	-8.731661838997134	-8.731581111681704	-8.676015156829042	-8.71721318087095	-9.222788119397325	-9.223909178565616	-9.244739221619804
	Glycine [-H(+)]	-6.116603381559488	-5.758917653676001	-6.10754212210489	-7.685184624721507	-7.704035517554246	-7.706227632280057	-7.744079224762243	-7.637132032506486	-7.868153280040117	-5.809705806563983	-5.77066200630865	-5.824023031166432	-5.901642213917592	-5.860514057439298	-5.9735044299099735	-6.600360950540488	-6.551802587751853	-6.605393588385071	-6.596600421665636	-6.536412017768344	-6.569063229969429	-5.363904797332835	-5.288384523017487	-5.394982578095355
	Pyruvate [-H(+)]	-5.007440302810665	-4.964872878563891	-4.968271442894082	-6.799856990598979	-7.053835893756885	-7.113919260215679	-6.831003900589069	-7.691241395079432	-7.644060246754821	-4.8457082040266775	-4.811797545434793	-4.8259405005312495	-4.886277123479434	-4.923604986675252	-4.910297427303869	-4.872344739658175	-4.876787393557015	-4.834253321937052	-4.844750664397337	-4.79389613851329	-4.805865675167744	-4.821700153048027	-4.813482083645225	-4.857308616273357
	L-Alanine [-H(+)]	-4.716075790107105	-4.722064065012187	-4.665355898871143	-3.8828265920750886	-4.137079946280105	-4.209984243732187	-3.969775064466516	-4.575689485969937	-4.521236470819646	-3.354458123353729	-3.3695854698596452	-3.3578147140002956	-3.5031488616577677	-3.5188896433855197	-3.4892942057188963	-3.5529286970373195	-3.492187139280071	-3.516426506844551	-3.353756721091032	-3.334115451427159	-3.334187033942264	-3.31656175476042	-3.2984159986532533	-3.286784066177743
	Glycerone [-H(+)]	-10.918442475848535	-10.83588369297463	-10.691724376234124	0	0	0	0	0	0	-10.397121547806417	-10.36715622114406	-10.343030839793004	-10.59924419660714	-10.527949881933058	-10.648235577131913	-10.192981666888656	-9.972938691119268	-10.295692809646855	-10.940269716530363	-11.083443303850567	-10.858191538265878	-10.206102161578137	-9.987043894768656	-9.986631548460089
	Glycerol [-H(+)]	0	0	0	-9.371414609159483	-9.47286452020389	-9.542436782827975	-9.530731259842858	-10.346032918882212	-10.105926693407156	-7.70617327997969	-7.835871603834507	-7.774315529465071	-7.800385909349509	-7.714196130024073	-7.7229370296382465	-7.428008901789554	-7.141065354559479	-7.325556150351392	-7.617835961015859	-7.635605935418932	-7.56290311736592	-3.6988472033259576	-3.4058107072577455	-3.7582282757226544
	Glycine [+F(-)]	1.566740715989424	1.9434548546216848	1.6061574958084899	0	0	0	0	0	0	-2.7110365373094214	-2.774021376062288	-2.741343988253358	-2.9192378311057383	-2.876850220199561	-2.869371311816473	-3.011451583579917	-2.987130200120186	-2.9749245486479774	-3.238201037508814	-3.250596135699481	-3.2519142983772023	0	0	0
	Orthophosphate [-H(+)]	-6.764059809775379	-6.894437892577145	-6.749105469432491	-8.287712292768243	-8.464502086399493	-8.44688086024874	-8.32254332682507	-8.48745970605513	-8.559184357318314	-6.554113023861959	-6.4382371103737075	-6.5196407876044145	-6.518034831082832	-6.5229475689492125	-6.527901135278549	-6.5630817622190705	-6.688683156609019	-6.6141227769323585	-6.593055852631609	-6.46193661938523	-6.509342826712231	-6.934382697899661	-6.920798591499228	-6.91999183985012
	L-Serine [-H(+)]	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-10.697153868346605	-10.6374564380377	-10.67772797793678
	Pyruvate [+F(-)]	0	0	0	0	0	0	0	0	0	-7.895974622557919	-8.053719976432633	-8.040646794347253	-7.86233133789281	-7.739816896468014	-7.771556986326652	-7.457137197684698	-7.158819041138219	-7.408455348164447	-7.827298810240289	-7.916027937900834	-7.829792306592601	-4.825551559150381	-4.523425859566687	-4.576425165871657
	L-Alanine [+F(-)]	0	0	0	0	0	0	0	0	0	-8.38454407583409	-8.438485279488663	-8.444399107790382	-8.563857762483917	-8.48990852243009	-8.51213403719786	-8.441931457455809	-8.279596403317367	-8.215184081554462	-8.679193025118945	-8.643910476084002	-8.61982229297385	-6.2101220792341865	-6.011569836071832	-5.966173061596231
	Glycerone [+F(-)]	-6.549247077712243	-6.448931998525764	-6.601999245064953	-6.7137352001541615	-6.52823774219762	-6.5503006436968985	-6.775986765463662	-6.672782862057705	-6.618278984164743	-6.835967905085311	-6.662447245095448	-6.754576987368793	-6.877157492334035	-6.916697731731943	-6.855064076977673	-6.84549993130503	-6.847056232749836	-6.817547090092781	-6.787592907976107	-6.753252207999856	-6.823379235180419	-6.270989582958935	-6.189646291479429	-6.193920451065765
	Uracil [-H(+)]	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.87228658127721	-7.654153394549689	-7.676680685919104
	Glycerol [+F(-)]	-3.916440965825486	-3.8950312552738455	-3.87076012277872	-3.8262502314598423	-3.843533353471932	-4.005880820883005	-3.9845850819733286	-4.381249309398811	-4.240809120470911	-4.267456695725022	-4.243719106182429	-4.19461318678551	-4.187783404055701	-4.166149187780748	-4.187758564205858	-4.629102423553187	-4.642989844271071	-4.6233907803066	-4.099179888515294	-4.062715550139586	-3.9941723724164806	-4.083622395434879	-4.036914759089383	-4.1177598557320385
	L-Proline [-H(+)]	-3.6072589180688146	-3.5810307719439756	-3.5759971944691333	-3.18319526985041	-3.1547743930622616	-3.1387720618994908	-3.204716370040528	-3.218476630605703	-3.166195490622551	-3.5450617726058358	-3.533360944365493	-3.540544809201951	-3.5697075815085606	-3.5718681452153596	-3.580711512390204	-3.5849436411030062	-3.560639914292117	-3.558998216555066	-3.562981619987421	-3.4968275141298246	-3.5440903874826883	-3.0768754146296855	-3.079399715891173	-3.0817964847812207
	L-Valine [-H(+)]	0	0	0	-7.4247456960260765	-7.6757136739725915	-7.545105729191573	-7.375905535147194	-7.675282710968546	-7.532486092679752	-6.8960435379809635	-6.873965638154754	-6.922533512591453	-7.009126870068703	-7.189567906450708	-7.105127696611598	-7.128807891510769	-7.126606518051008	-7.049523821675997	-7.667243249879096	-7.461654052745722	-7.486682728802943	-7.697020744882674	-7.667719306980068	-7.838897663450634
	Orthophosphate [+F(-)]	-6.463334509093501	-6.585347400349434	-6.502673153616127	-5.562913637790649	-5.59151068205668	-5.603253368303023	-5.57938592485581	-5.623686059689906	-5.673887308425396	-6.3090875661949415	-6.286522880112139	-6.334517333585605	-6.253408851847619	-6.227203525666767	-6.223952136566936	-6.299277622185656	-6.276274036076918	-6.292451124508396	-6.246584088794792	-6.227523912430366	-6.2083936366735815	-6.332173570080555	-6.3266774997942	-6.3337187999200575
	L-Threonine [-H(+)]	-12.078004456286752	-12.316078830920514	-12.353267263108055	0	0	0	0	0	0	-11.508998275791246	-11.036182977143003	-11.308547865698554	-11.381769676559458	-11.416528820252347	-11.676492633779645	-11.54871504098632	-11.405845656632616	-11.261815104290562	-11.550907603487229	-11.401386621801812	-11.580773963776643	0	0	0
	L-Cysteine [-H(+)]	-7.1045955925942845	-6.863438609179948	-7.0788789080621495	-5.500161614850947	-5.72416732615132	-5.887371777427834	-5.692553812006393	-6.20210154311599	-6.155048798437491	-8.268913788376683	-8.28769858615907	-8.221837434382973	-8.273807826699525	-8.159520922523889	-8.248551520088785	-8.055872137166212	-7.930519345045013	-8.069955032123184	-8.460261675284983	-8.441966716918802	-8.300458738170237	-5.104353895432754	-4.847554522537211	-5.117175793870555
	Nicotinate [-H(+)]	0	0	0	0	0	0	0	0	0	-8.062565743139523	-8.277650138547685	-8.215051216335034	-8.114116204586537	-7.969600330008416	-8.115053094102688	-7.676401091721967	-7.49626126155858	-7.677180331682484	-7.929054388115901	-7.824405478541088	-7.734014003929323	-3.4608846457919507	-3.1266172013684135	-3.406049134313295
	L-Serine [+F(-)]	0	0	0	0	0	0	0	0	0	-7.371780362591485	-7.340402292160142	-7.337576169115843	-7.385333749678891	-7.364768468969668	-7.407623264365167	-7.393676516963508	-7.4753297598421025	-7.456194049468696	-7.64260196329446	-7.5860857748694315	-7.6056384979851845	0	0	0
	Thymine [-H(+)]	-1.200066579040036	-1.1817442399816098	-1.2034098149413808	-1.2511327086721598	-1.1884438389166878	-1.190868360324418	-1.2202150729951888	-1.1850347861993353	-1.1698390163559056	-1.0909529445267094	-1.1281654368676417	-1.1045254349839884	-1.0910460716497004	-1.086276029158945	-1.0873836938146326	-1.056072749751162	-1.0224155500749386	-1.026213437414809	-1.054648433709526	-1.0837327801404464	-1.0602590348283483	-1.0924347268340113	-1.0819606283109067	-1.084658431234237
	L-Leucine [-H(+)]	-6.761241323483517	-6.870501779766852	-6.898312898078091	-5.6061260627230665	-5.5036871139110985	-5.482646942081388	-5.603181619614528	-5.507941851025786	-5.5031709227055154	-6.408802075816709	-6.38792729773735	-6.39520983840451	-6.329310536615919	-6.370407076339875	-6.299517622814529	-6.367520258354224	-6.385081665645955	-6.330621068759607	-6.648413978861544	-6.602802400742231	-6.628735448787548	-6.592722574745235	-6.566705633648321	-6.524759722681446
	L-Asparagine [-H(+)]	-3.1422886834547468	-3.1833101441548095	-3.1499317116217513	-3.2828380606569985	-3.2138598563625944	-3.2153361493097528	-3.1694663661505516	-2.9066604140766286	-3.0879500335773136	-3.949242927839983	-3.9724835857120393	-3.966141907372907	-4.146435378324958	-4.150947725190408	-4.165225771422941	-4.301310701450639	-4.247418760565031	-4.256072061815508	-4.441662981485146	-4.397122988543868	-4.397504304803287	-2.7582530803627603	-2.7409616491542805	-2.620347569839132
	L-Ornithine [-H(+)]	-4.564778918092855	-4.619422749629426	-4.463174608942806	-3.8076865046649955	-4.237140334754452	-4.035137249374263	-4.100114615745735	-4.441702175494282	-4.3486277555129185	-4.624781865303855	-4.543676907956504	-4.5337404797142575	-4.540917809244486	-4.511805212133987	-4.550975626688615	-4.844098492719327	-4.964384528698062	-4.9372478719435495	-4.7260094094937495	-4.6771534798771714	-4.675713761141743	-5.380900604328467	-5.399364736536458	-5.408032609173165
	L-Aspartate [-H(+)]	-8.942247849806622	-9.070013444443113	-8.895353609964527	-7.122261821005452	-7.136385990157766	-7.287449241602783	-7.206290857964332	-7.515407811618494	-7.446747920816508	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
	L-Homocysteine [-H(+)]	-3.455782388086403	-3.4401971206167024	-3.4667419152501706	-3.947191938090315	-3.939164303848439	-3.997992818483996	-3.978368468734372	-4.0023311372490005	-4.007418631771698	-5.588755217752176	-5.5984597342832005	-5.550762171712503	-3.9957960095934926	-4.004401119256717	-3.9344105091845876	-4.0163396156688	-4.015746270310439	-4.081010001721866	-5.714192270855701	-5.748849238200808	-5.737179553146756	-4.041814624807788	-4.091581774628835	-4.064575145953302
	Adenine [-H(+)]	0	0	0	0	0	0	0	0	0	-8.035823096395582	-8.033178645624178	-8.135907986586322	-7.765592939528463	-7.746741592701591	-7.71823939755328	-7.783013679281762	-7.690185239823621	-7.785945561935179	-8.303629500665437	-8.345203722415995	-8.308163860260253	0	0	0
	L-Proline [+F(-)]	0	0	0	-8.937222233494492	-8.368063808001114	-8.37206037416185	-8.868869833749258	-8.296412610237322	-8.414729053736364	0	0	0	0	0	0	0	0	0	0	0	0	-8.317178523344404	-8.156000887608984	-8.185932131105208
	L-Valine [+F(-)]	0	0	0	-6.684028277877506	-6.20491664839861	-6.129499394848438	-6.517930348560249	-6.260616283315738	-6.25874196578452	-8.749380607061825	-8.793359573529694	-8.820276996419718	-8.770565391390667	-8.742743982882425	-8.766144099531473	-8.635078641714125	-8.567562026889043	-8.568596883596427	-8.946904844885658	-8.891984001447604	-8.94729655930961	-5.768302007954923	-5.607410766567995	-5.630552362240859
	L-Threonine [+F(-)]	-8.813763702935939	-8.736808139494947	-8.779559117715188	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
	Acetyl phosphate [-H(+)]	0	0	0	-9.199589027392669	-9.226434390444215	-9.492970149261522	-9.275880485289623	-9.539557241768668	-9.600406826788618	0	0	0	0	0	0	0	0	0	0	0	0	-9.049653463817563	-9.232463200601957	-9.337198219966643
	Carbamoyl phosphate [-H(+)]	0	0	0	-6.988630342864774	-6.713565815704789	-6.720029480402473	-6.918992127778356	-6.755420725785168	-6.756198945513431	-8.912604543382198	-8.868920633408369	-8.898969969303012	-8.779074459398984	-8.824819591291124	-8.79129418096076	-8.776341701419359	-8.729262258939174	-8.770575483832472	-9.081659058643217	-9.104659654245385	-9.02328971880115	-6.743416768491052	-6.608836905045973	-6.592016732664922
	Thymine [+F(-)]	-5.186234916180486	-5.266185186104787	-5.145670341164413	-4.3515552698301185	-4.099861695970622	-4.103085874917335	-4.0766252065458435	-3.799517704245167	-3.856805982571884	-4.564884482248691	-4.375128897482808	-4.481429827964744	-4.59641162314367	-4.6017077919189	-4.611174282235595	-4.713463759609848	-4.778624720194191	-4.650865594172728	-4.583074261493751	-4.606102870740621	-4.555318426395733	-5.036473787842616	-4.9696702138555455	-4.908231781056072
	L-Glutamine [-H(+)]	-2.186222568486645	-2.334190222157626	-2.2442858902408895	-1.8242090642750046	-1.7420013412191542	-1.777645238644889	-1.6567072344756832	-1.2369496303823029	-1.5193280433078533	-3.140821383017252	-3.1777294508845504	-3.186330584454807	-3.2477795409701185	-3.245207089748961	-3.217624065646441	-3.3235687461602517	-3.350147698381409	-3.3352162379339214	-3.3239045093665958	-3.2839249951159735	-3.3051312679681573	-1.7455442884343493	-1.73114308263256	-1.6551040299205706
	L-Lysine [-H(+)]	-3.0086598117918255	-3.0721683915018083	-2.98922372990101	-2.7289302772706288	-3.097745558374066	-2.936241239877283	-2.9807471083955144	-3.2065205946043327	-3.096070638272342	-3.1798287888937073	-3.169399437071931	-3.1062370129887835	-3.1268105575268335	-3.0494285574719537	-3.1244089713652867	-3.3886719245909216	-3.428778137971608	-3.4565824518971273	-3.166450851033435	-3.1704417579307522	-3.179477484852203	-4.008434861023264	-4.017406236627535	-3.9578242500231315
	L-Glutamate [-H(+)]	-6.167630503952175	-6.184280870529488	-6.147053425458051	-5.311412762939971	-5.354434131689889	-5.387432392415841	-5.351520614191581	-5.461070186465723	-5.430923328536096	-5.896948976863953	-5.860096289036713	-5.859989439499232	-6.026172418844086	-6.074952162638574	-6.046616466120625	-6.091441537212939	-6.048414720796877	-6.072845526902638	-5.919721858247637	-5.888552031790355	-5.865513936803981	-5.558974757098884	-5.477423995200064	-5.5734410432198365
	L-Methionine [-H(+)]	-7.143079651415542	-7.1944667417695545	-7.119760473796367	-5.03367711207922	-5.487036377126577	-5.566504392067741	-5.296994107657653	-6.372880850357659	-6.244114620189253	-6.987050621295636	-7.013876740267805	-6.942472048391325	-6.684312309465418	-6.60070255952067	-6.6417810648576445	-6.540516922804597	-6.441874254438884	-6.6328010594007205	-7.271428136778917	-7.229936014924384	-7.211185299101427	-4.365380451689969	-4.148947178815789	-4.660531354825392
	D-Ribose [-H(+)]	-8.241619919888436	-8.239401819201907	-8.324858226322881	-7.624261040782376	-7.662714314671965	-7.741787460600399	-7.74582206382158	-7.769803471331418	-7.837298474809877	-9.028902873226176	-9.144343922967003	-9.141411973551884	-8.873000369169034	-8.843295991731921	-8.789875679532535	-8.883688212288519	-8.809451487345964	-8.734323697039677	-9.04326207564062	-9.00145891157128	-9.023754864164088	-8.539447423469648	-8.573833078456824	-8.626919940807289
	Guanine [-H(+)]	0	0	0	-6.210070900054706	-5.703358654337146	-5.631232282087406	-6.106342807003122	-5.689488007913214	-5.704782207514659	0	0	0	0	0	0	0	0	0	0	0	0	-5.993137762093058	-5.832504841854661	-5.874543301916291
	L-Asparagine [+F(-)]	0	0	0	-4.752680741965348	-4.326872173599681	-4.128329162605857	-4.503205138965058	-4.002852042851992	-4.040321041556858	-6.108266356033804	-6.206459091222912	-6.06025332706411	-6.273362638133396	-6.175015880704715	-6.094397530166776	-6.118659716963203	-6.283492550953943	-6.281310462124013	-6.619597270889567	-6.65021922502161	-6.583118744966131	-4.640962836774615	-4.610185266761996	-4.5883245280141365
	L-Ornithine [+F(-)]	0	0	0	-6.889613158429363	-6.8824890362213935	-6.9301516477620035	-6.958676471423775	-7.150799499515015	-7.189444973860999	-7.829022549487986	-7.795125138152192	-7.798417644127974	-7.736613335600265	-7.765973664257741	-7.715500139356477	-7.653341625408872	-7.776646397535986	-7.714568108240622	-8.071245659044592	-7.964154097303159	-8.039562558180476	-6.098113820992492	-5.970794118863199	-6.172980572339666
	L-Aspartate [+F(-)]	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-9.962126265839132	-9.904412580720155	-10.060006206554444
	L-Homocysteine [+F(-)]	0	0	0	-5.452497808418785	-5.4270573228948225	-5.332446610829687	-5.404255920137622	-5.477561766394171	-5.447677998807569	0	0	0	0	0	0	0	0	0	0	0	0	-5.437196462326506	-5.21983332341352	-5.557940579655181
	Adenine [+F(-)]	-4.233855356049882	-4.423730610971828	-4.265771826799762	-3.4014286167917014	-3.3922597643073336	-3.3316191567341655	-3.1340971403676123	-3.169664680946889	-3.2379996323182936	-4.497687662439935	-4.435015142784058	-4.42418305841149	-4.557216722036279	-4.529487968556335	-4.536341715618544	-4.6948842011987075	-4.645051602502729	-4.703800290099375	-4.549538893077871	-4.55833811196907	-4.493675473118513	-4.566992605227961	-4.593571992860691	-4.578761182605896
	L-Histidine [-H(+)]	0	0	0	-6.410410434221653	-8.005821287810912	-8.287187094091447	-6.42844472714639	-8.027738120263056	-8.317565771184098	-8.475365013142117	-8.599429697228983	-8.42688837653582	-8.97073147471453	-8.822188529356772	-8.843314076477421	-8.784433829599879	-8.729113952949227	-8.771301861018953	-9.469873974532188	-9.27251345300116	-9.42386211261161	-8.647419214846517	-8.556468800940939	-8.791158445825985
	Carbamoyl phosphate [+F(-)]	-1.9829755298811724	-2.035015509346674	-2.032654509494734	-2.010852724155735	-2.031396614956677	-2.1022726913331296	-1.950197767336993	-1.9319572077209033	-1.986194657758865	-2.057563100990322	-2.059269471750096	-2.0595655822016443	-2.0357922915259126	-2.053134618350088	-2.0448639801964665	-2.10180249795164	-2.105544269233863	-2.091289728227041	-2.150259919520091	-2.1288336493951707	-2.155730826508398	-2.304101053944226	-2.3447380837112823	-2.3289075742071765
	L-Phenylalanine [-H(+)]	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-5.581335284215385	-5.523132746737963	-5.670319636005603
	L-Glutamine [+F(-)]	0	0	0	-4.845719238761684	-4.330079959953254	-4.1539685771638055	-4.546135953149784	-3.91193028709605	-4.013074808056987	-6.032737503818437	-6.002739903417332	-5.908165505866544	-6.077534176249033	-6.047297652786306	-5.939010125555052	-6.055033917092361	-6.069670602965591	-6.024730038636199	-6.432516001966205	-6.355699518977067	-6.4150735111650805	-4.480295462778462	-4.456644340884028	-4.362341440038154
	L-Lysine [+F(-)]	-6.8269229261561435	-6.719036594650444	-6.7766321250090344	-6.004769639783003	-5.958725464332677	-6.085807105710961	-5.94987324125014	-6.165609070426061	-6.144251102985938	-9.092667693314734	-9.028732774322435	-9.09963860718545	-9.054036505840852	-9.026563426254517	-8.964034634823046	-9.046677077056735	-8.726486742692828	-8.857454477071407	-9.314955287073076	-9.167544449903628	-9.194681093261037	-5.5945286344740826	-5.522808475319653	-5.7674646940999645
	Pyridoxal [-H(+)]	0	0	0	-8.422204756710077	-8.072763089973929	-8.065304335321343	-8.392312996814397	-8.095201326698408	-8.119218660308015	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
	L-Methionine [+F(-)]	-9.40132766027276	-9.170974103201857	-9.24079684263332	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
	Glycerone phosphate [-H(+)]	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-8.202576576224459	-7.952787019357634	-7.927431084732348
	D-Ribose [+F(-)]	0	0	0	-6.757700684687668	-6.810004764023791	-6.836235700766727	-6.831553587432978	-7.004068511308587	-6.882204557435488	-7.7006025422103175	-7.959126890071067	-7.8651253854981	-7.8761518166720625	-7.936266639428855	-7.939038364803493	-7.480290929573414	-7.4633938172568595	-7.394834618152849	-7.703031190069758	-7.653425152791639	-7.575462942818701	-7.320162008095744	-7.236695798956877	-7.283879614267097
	Guanine [+F(-)]	-7.196907511520528	-7.06779596731162	-6.983149650400195	-6.281553245138427	-6.560262979546428	-6.696076670092553	-6.493932068480989	-6.6037758232005475	-6.696790561728133	-6.339223380740851	-6.235372827540516	-6.312508085110537	-6.9980789387300595	-6.979810189358509	-7.070489632205309	-6.770861856299826	-6.922318740784627	-6.876329841172347	-6.935546348355002	-6.908168966333749	-7.086151644769739	-7.262003133863182	-7.321514062590227	-7.288619498845516
	sn-Glycerol 3-phosphate [-H(+)]	-1.600257857797665	-1.6960147403065422	-1.6176233622692715	-1.352439863756953	-1.272324693764534	-1.3048049691523775	-1.2330834263603325	-0.9892932094462301	-1.1670897917665086	-2.879591995819058	-2.8977555871179645	-2.9187077840040114	-3.1119138007164686	-3.0866161244543378	-3.094687245673508	-3.219120369967058	-3.1716939810167912	-3.1893052203465735	-3.3345287086797724	-3.258102975419909	-3.2912655889450457	-1.584193843580048	-1.5481285551436117	-1.4539916154845818
	L-Arginine [-H(+)]	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.7145706043808016	-7.587504270145127	-7.516410859103333
	L-Histidine [+F(-)]	-9.791695936347452	-9.612492519405833	-9.789236054221558	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.794308238147332	-7.705620765164084	-7.687161153026266
	L-Citrulline [-H(+)]	0	0	0	-7.673607788851695	-7.775514646534548	-7.757784932555019	-7.8379752447433635	-7.962224136325673	-7.8822337511269485	-8.444802374306931	-8.538399438467803	-8.586318322403546	-9.033535644276746	-8.98050987030888	-9.05572868524349	-9.038567161109075	-8.888951892013992	-9.100841203609106	-9.752648566595184	-9.723737785970645	-9.766162542116838	-8.479533999317963	-8.538241719781466	-8.470082396496784
	Ascorbate [-H(+)]	-0.3493279232965336	-0.11988311847034361	-0.423939032130877	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
	Diphosphate [-H(+)]	-4.09023510096274	-4.149117354603382	-4.103039430280049	-2.1964884136956058	-2.404705657147871	-2.3707484990903587	-2.2689657192051538	-2.4911446146246674	-2.4656093267783	-2.8133085418313755	-2.727676433039923	-2.697397108338638	-2.9843450715876507	-2.9287355048246493	-2.9621814197296334	-3.0874886792026714	-3.1533507541428243	-3.0274937793783323	-3.490387848589796	-3.3933347259985167	-3.3783932166170203	-2.9587815147373986	-3.0006060519147475	-3.096681279204829
	D-Glucose [-H(+)]	-3.196541274083026	-3.345011461990021	-3.2808422115196656	-3.497768765865648	-3.59592265378671	-3.5691437048510277	-3.561534485469992	-3.506311031562751	-3.5361759070623364	-3.6734223763273763	-3.5832051401001737	-3.6059618522003163	-3.6854693493132196	-3.7078832978313927	-3.686646112584335	-3.6954656772678103	-3.7113537247431547	-3.75134410073754	-3.778850425309451	-3.7547190161125283	-3.78834481058058	-3.7255326305198384	-3.752600551036485	-3.7084023281680825
	L-Tyrosine [-H(+)]	-6.2047637517129735	-6.0975657798526175	-6.191060873536335	-5.734888984927373	-5.660819012295574	-5.6842396207652905	-5.738618738374353	-5.564819648708498	-5.661725577338386	-6.499990726361311	-6.483526419493808	-6.475860558599343	-6.583965246576988	-6.552019968717755	-6.558073025550762	-6.666491541707229	-6.623333105459887	-6.631349595049105	-6.757786107124254	-6.732818810661187	-6.772025192126895	-6.113142420806445	-6.098469623707639	-6.077118248489134
	Mannitol [-H(+)]	-9.121471224441997	-8.99741083531401	-9.158680594725036	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.997418667661585	-7.81133858464545	-7.724831916552592
	Choline phosphate [-H(+)]	0	0	0	-5.696248239461064	-5.192154974554066	-5.153031749349935	-5.532679303910733	-4.821843703056839	-4.787923082826897	-7.842259903270981	-7.767058269371336	-7.847589200464853	-7.75916022786005	-7.811494243943681	-7.750659849697824	-7.7987382253540165	-7.813439328159292	-7.760696570868667	-8.09177879599488	-8.055643602303133	-8.076164172763033	-6.050995707313099	-6.113592666628056	-6.067496610006642
	L-Phenylalanine [+F(-)]	-7.667540961752124	-7.710086114325123	-7.8863058650012015	-6.5384710993658945	-6.748066572174567	-6.559757284707692	-6.684314130951693	-7.283756096679999	-7.088722829316039	-7.988303035518321	-8.281006927579229	-8.16360176585082	-8.275594678661705	-8.185345066261203	-8.17347804056056	-8.68350688089128	-8.550207911541605	-8.281248618268839	-8.662219080898533	-8.715959714496208	-8.629524214777248	-6.996424470781976	-6.973364313575958	-7.085017735902844
	3-Phospho-D-glycerate [-H(+)]	0	0	0	-7.158873164964177	-6.943396904758598	-6.891862822542191	-7.118775731472679	-6.935277937350895	-6.949080202217505	-8.212325735341313	-8.302507724886533	-8.229300801215373	-8.346599055597755	-8.199377691669456	-8.26796172192007	-8.307958032847322	-8.240231489861268	-8.3359644886065	-8.553536334550218	-8.464122831721735	-8.50751904592951	-7.385990835486851	-7.315442673665654	-7.341860364500562
	Pyridoxal [+F(-)]	0	0	0	-7.8825865056032	-7.6125707944159995	-7.610224177396658	-7.904034702165257	-7.549414322772558	-7.684295876279772	0	0	0	0	0	0	0	0	0	0	0	0	-5.7838917588744065	-5.7355798649517356	-5.907849759591215
	L-Arginine [+F(-)]	0	0	0	-6.873392384330744	-6.325409435941613	-6.25443608069398	-6.647279433131695	-6.092221037679964	-6.102597302241741	-8.89222232257023	-8.882509085378782	-8.820419676912948	-8.875825014204466	-8.777415233008412	-8.856843660516532	-8.951102112598825	-8.850078932427124	-8.80363121206697	-9.210185906239236	-9.099232412559854	-9.147830632509962	-6.979797555643073	-6.988770540929036	-6.840957100507147
	L-Citrulline [+F(-)]	0	0	0	-7.628110654067493	-7.788035577593369	-7.8207440887666335	-7.746690376827825	-8.043897337207035	-7.977127412322882	-8.779186656556586	-8.643449105925004	-8.707439935188686	-9.14294454427525	-8.872799163027217	-8.985976125327129	-9.075287553363854	-8.97888247735402	-8.989753703703226	-9.640825555413109	-9.548518388967452	-9.495988147720286	-8.677917332281021	-8.585253215640568	-8.657337506905687
	Ascorbate [+F(-)]	-7.778209453864146	-7.525849090347891	-7.7191893593885315	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
	D-Erythrose 4-phosphate [-H(+)]	0	0	0	-6.137560288868956	-5.60367916984848	-5.559872682474194	-6.11308054456979	-5.723335984572618	-5.69298374832122	0	0	0	0	0	0	0	0	0	0	0	0	-6.6468403542768195	-6.209620351695582	-5.851771273005473
	D-Glucose [+F(-)]	0	0	0	-6.92538400845039	-6.684689076127144	-6.721977736860517	-6.916357826426118	-6.602141912522866	-6.7163675458568015	-7.654688655845099	-7.569685294603612	-7.593282892203302	-7.733406323650061	-7.691235636724027	-7.744884161962989	-7.656189309705348	-7.719785322175728	-7.764968237462492	-7.99030528738274	-7.938295246554796	-8.027184624303812	-7.267154953168097	-7.21849081404128	-7.204643880369403
	L-Tyrosine [+F(-)]	0	0	0	0	0	0	0	0	0	-8.436486211796144	-8.500800884003578	-8.545674385115689	-8.510557325641475	-8.490899418209686	-8.467158669352472	-8.449720168213807	-8.451640487159974	-8.547032305487583	-8.929890952409696	-8.861455192429695	-8.831288891114019	-7.21503974091959	-7.152505904098716	-7.124011214151178
	Mannitol [+F(-)]	0	0	0	-4.340147008654491	-4.09552672152396	-4.074956897145969	-4.077981971750111	-3.886306821071062	-3.9013990005517694	0	0	0	0	0	0	0	0	0	0	0	0	-5.266270712020197	-5.17053631275229	-5.2175435893446656
	Choline phosphate [+F(-)]	-3.7035645669580775	-3.8241447391751437	-3.7438182203435244	-3.630138259511104	-3.707431590730229	-3.744430059659368	-3.626274936573583	-3.490153362490177	-3.5786305604278024	-4.1125418277490375	-4.096662356144627	-4.133337623520207	-4.230917684184907	-4.184430350348913	-4.212934321574475	-4.24085808152198	-4.223513138249633	-4.256770253496109	-4.327970108101582	-4.261998397522385	-4.331364335020693	-4.275184868215918	-4.315134365524832	-4.302483043287711
	L-Tryptophan [-H(+)]	-8.935009740033422	-8.797697012384333	-8.863763006830759	-7.90317126017597	-7.823796190468768	-7.824967989963263	-7.916631737559693	-7.800481147838122	-7.826596309141833	-9.277704816392658	-9.350949060716108	-9.26856931050472	-9.38885002523444	-9.318850207552199	-9.328129113988844	-9.11298775528515	-9.246118042762344	-9.352626755130377	-9.68062736605535	-9.569219490247093	-9.624587659741556	-8.68894730343745	-8.633848875727374	-8.734430636769508
	Lipoamide [-H(+)]	-8.802597582280235	-8.830743756604722	-8.78098244199581	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-8.27660825502532	-8.321983484474075	-8.30066086536778
	Dihydrolipoamide [-H(+)]	-9.735276655771134	-9.80815149981015	-9.754862780396039	-8.053575555459942	-8.164817160992165	-8.175559257330473	-8.188878329217733	-8.24260766105552	-8.17902456441831	-9.621752488165875	-9.462914798805505	-9.611396557957939	-9.621794239678131	-9.557861242447547	-9.618391291730461	-9.810805742027533	-9.743003088589202	-9.714799151540708	-9.629937956084472	-9.64479333928369	-9.780575343392552	-9.488609561158311	-9.496897321316185	-9.539687856142269
	2-Deoxy-D-ribose 1-phosphate [-H(+)]	0	0	0	-7.1049849034492905	-7.007515075647799	-6.8533632011677	-6.923766303961103	-6.572952692245485	-6.730749485583409	-9.156726418759693	-9.070131425820875	-9.149916598532343	-9.07237155481739	-8.98159193928134	-9.101825103299298	-9.124891241435574	-8.971289468329925	-9.10637878763591	-9.323341724104313	-9.370202385494428	-9.294418871308185	0	0	0
	L-Tryptophan [+F(-)]	0	0	0	-7.688480197172639	-7.537159520167698	-7.60341250373144	-7.696619517034412	-7.639232782342082	-7.65753550865289	0	0	0	0	0	0	0	0	0	0	0	0	-7.466558693251944	-7.045000227013752	-7.258568145824668
	Lipoamide [+F(-)]	0	0	0	-7.293073042231052	-7.142445308500841	-7.171652929472732	-7.295274079574817	-7.185884703032637	-7.181022335794182	-8.66322055796153	-8.714989658290696	-8.73408620057706	-8.736900008883874	-8.615597488916366	-8.724726444709763	-8.598614705954057	-8.373896094711085	-8.518292161933415	-8.800577743672392	-8.872164333568522	-8.807102678453376	-7.721159959130429	-7.635719789519538	-7.665742719817141
	Dihydrolipoamide [+F(-)]	0	0	0	-7.175784517204704	-6.99513760049781	-6.954263423889938	-7.044721612418819	-6.788457914736089	-6.8819985530416705	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
	Deoxycytidine [-H(+)]	-8.782768744558862	-8.639856628909516	-8.814969524960794	-6.748936049799735	-6.68407830624219	-6.675314946359299	-6.748936049799735	-6.68407830624219	-6.714336645456721	-8.162616423081982	-8.104345250265386	-8.14949038062706	-8.261424636225554	-8.195621522921863	-8.233779807184256	-8.273183804581329	-8.327081398346913	-8.25418965482556	-8.521648241232487	-8.518433671720999	-8.476950238237908	0	0	0
	Deoxyuridine [-H(+)]	-7.231015688384458	-7.204689236634753	-7.065399507629513	-7.056525971358288	-7.089881222818503	-7.106723209388083	-7.252945712598571	-7.238013753833162	-7.319213045004391	-6.384271416444518	-6.3332416027886325	-6.418965638362561	-7.828866606274974	-7.707861792566448	-7.647649513932169	-7.464420382502408	-7.53776995019232	-7.640443213962843	-6.660593784653745	-6.742372031793781	-6.6561750714254035	-7.542767153943504	-7.62277481502076	-7.64128453346642
	D-Ribose 5-phosphate [-H(+)]	0	0	0	-4.142304922518978	-4.129186597143695	-4.200580862283682	-4.107788568561293	-3.977496103826664	-4.027975826794087	-5.003504466085388	-4.94465053482725	-4.887636907569254	-4.846491972220256	-4.77343259150186	-4.820040980815756	-4.801721137064319	-4.850896092496962	-4.840940321843366	-5.030204586444642	-5.083594585515419	-4.97323205570363	0	0	0
	Thymidine [-H(+)]	-6.238260198607948	-6.328437488176069	-6.180863125266706	-6.023862126994448	-6.041840066611634	-6.023441656069016	-6.0445991208087335	-5.9601731147414885	-5.969553539638369	-5.9861861489411154	-5.913538809466534	-5.977957056032157	-5.763641082457288	-5.72885304726958	-5.772520643715302	-5.681775057840854	-5.71366595770548	-5.641450497951018	-6.329286582036286	-6.342928954275779	-6.383157379722686	-5.785992011748126	-5.776204164125204	-5.848635650936372
	Cytidine [-H(+)]	-5.21740379203299	-5.221913052650581	-5.158620641510281	-5.201205134536563	-5.183120283603904	-5.220770867198192	-5.192848810530849	-5.086958901965314	-5.0980941986905925	-5.405869273565634	-5.339417373720593	-5.384136368443165	-5.320719473459217	-5.2670773585772865	-5.292204990824878	-5.277119390517711	-5.183206788428924	-5.244895735926911	-5.742936845553375	-5.74618260325939	-5.797725615987848	-5.606430565498107	-5.646374736191476	-5.672755706195441
	Uridine [-H(+)]	-11.282574561339757	-11.132839441694887	-11.399730589093501	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-8.952784292419159	-8.833010916538026	-8.957201287273925
	Pyridoxal phosphate [-H(+)]	0	0	0	-6.675107358542065	-6.493014478166364	-6.4160398996367585	-6.532781575687398	-6.287049894938442	-6.3428812567638175	0	0	0	0	0	0	0	0	0	0	0	0	-7.195838895958363	-7.19164032691754	-7.203586098314082
	Deoxycytidine [+F(-)]	0	0	0	-3.712610083351897	-4.42044640462899	-4.451759790986516	-4.100157728189299	-6.461655577145255	-6.124495571601458	-7.630207404077714	-8.083096535234574	-7.899050507605416	-7.56503386667401	-7.460514049192014	-7.565668507776813	-6.891924513700434	-6.577581301516835	-6.702386339081501	-7.210868655584077	-7.094528415374773	-6.987633477947853	-2.7246322028276775	-2.7370548437053444	-3.001437481138572
	Deoxyadenosine [-H(+)]	-7.6460295038865365	-7.646326385275101	-7.641443246329798	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
	sn-Glycero-3-phosphocholine [-H(+)]	-7.022867662631217	-6.987245029010908	-6.837997125250899	-5.508429911569413	-5.778877743345009	-5.641459453740556	-5.8141647838783355	-5.975015676330222	-5.813713376929897	-6.520286065606231	-6.534936378731221	-6.495238393721346	-6.562123965417895	-6.4358942187820185	-6.52468912241884	-6.855173518532016	-6.869198266266585	-6.932123735613407	-6.858446908319834	-6.7739112076909755	-6.796334682434774	-6.285576387866309	-6.2549620859224655	-6.233070956597352
	D-Fructose 6-phosphate [-H(+)]	-7.262205914804042	-7.00277027131605	-7.23824886074793	0	0	0	0	0	0	-7.639902932365287	-7.692018013279451	-7.753225551024932	-7.72480423745741	-7.809736100545859	-7.793753100411459	-7.717587882148253	-7.622696296643925	-7.72348261445175	-8.016636016164519	-8.008531133821563	-8.11051605202299	-5.330217520231282	-5.194475921892718	-5.317565098114204
	D-Mannitol 1-phosphate [-H(+)]	0	0	0	-6.049707535548487	-6.077317522667036	-6.094691870298981	-5.991736758051458	-5.815969776346818	-5.845496840536441	-5.552775172343418	-5.367792746500429	-5.490427898836091	-5.3781770552647234	-5.394582442929787	-5.3854176074199325	-5.516183776659279	-5.552685420431847	-5.625541289549982	-5.873658839216754	-5.840974866332786	-5.754091468105086	-6.290503332105142	-6.343481221632352	-6.362236375493559
	Thymidine [+F(-)]	0	0	0	-7.020711690018953	-6.8845307671279965	-6.798557278760138	-6.921515608596275	-6.357756800080358	-6.538689552067267	-7.974098559720039	-8.08440243133375	-8.004764381530162	-7.820720765214848	-7.75474523901041	-7.778486800481105	-7.637137010783343	-7.550744505719543	-7.629100775370408	-7.964601244718919	-7.916588672287396	-7.905533960556101	-7.385376448443126	-7.46817685873213	-7.513633529499887

# Log2 of measurement values with minimal information for metabolites and samples used to connect to the model
Simple_ID															M129_timecourse_6h_3	M129_timecourse_6h_3	M129_timecourse_6h_3	M129_timecourse_24h_3	M129_timecourse_24h_3	M129_timecourse_24h_3	M129_timecourse_48h_3	M129_timecourse_48h_3	M129_timecourse_48h_3	M129_timecourse_96h_3	M129_timecourse_96h_3	M129_timecourse_96h_3	24h_timecourse_4	24h_timecourse_4	24h_timecourse_4	24h_timecourse_4	24h_timecourse_4	48h_timecourse_4	48h_timecourse_4	48h_timecourse_4	48h_timecourse_4	48h_timecourse_4	6h_timecourse_4	6h_timecourse_4	6h_timecourse_4	6h_timecourse_4	6h_timecourse_4	TF173_MPN303_5	TF173_MPN303_5	TF178_MPN250_5	TF178_MPN250_5	TF178_MPN250_5	TF187_MPN674_5	TF187_MPN674_5	TF187_MPN674_5	Tn051_MPN051_5	Tn051_MPN051_5	Tn051_MPN051_5	Tn674_N/A_5	Tn674_N/A_5	Tn674_N/A_5	WT_WT_5	WT_WT_5	WT_WT_5	WT_WT_5	WT_WT_5	WT_WT_5	WT_WT_5	WT_WT_5	WT_WT_5	dldh,NoxE_N/A_5	dldh,NoxE_N/A_5	dldh,NoxE_N/A_5	AA_perturbation_6	AA_perturbation_6	AA_perturbation_6	Fe_perturbation_6	Fe_perturbation_6	Fe_perturbation_6	Glu_perturbation_6	Glu_perturbation_6	Glu_perturbation_6	Gly_perturbation_6	Gly_perturbation_6	Gly_perturbation_6	KO51_mutant_6	KO51_mutant_6	KO51_mutant_6	Ox_perturbation_6	Ox_perturbation_6	Ox_perturbation_6	TF173_mutant_6	TF173_mutant_6	TF173_mutant_6	TF183_mutant_6	TF183_mutant_6	TF414_mutant_6	TF414_mutant_6	TF414_mutant_6	TF462_mutant_6	TF462_mutant_6	TF462_mutant_6	TF463_mutant_6	TF463_mutant_6	TF463_mutant_6	Tn674_mutant_6	Tn674_mutant_6	Tn674_mutant_6	blank_control_7	blank_control_7	blank_control_7	Gly_ctrl_perturbation_7	Gly_ctrl_perturbation_7	Gly_ctrl_perturbation_7	TF173_mutant_7	TF173_mutant_7	TF173_mutant_7	TF178_mutant_7	TF178_mutant_7	TF178_mutant_7	TF184_mutant_7	TF184_mutant_7	TF184_mutant_7	TF187_mutant_7	TF187_mutant_7	TF187_mutant_7	TF413_mutant_7	TF413_mutant_7	TF413_mutant_7	TF462_mutant_7	TF462_mutant_7	TF462_mutant_7	TF463_mutant_7	TF463_mutant_7	TF463_mutant_7	Tn051_Gly_perturbation_7	Tn051_Gly_perturbation_7	Tn051_Gly_perturbation_7	Tn674_mutant_7	Tn674_mutant_7	Tn674_mutant_7	WT_perturbation_7	WT_perturbation_7	WT_perturbation_7	WT_noGluc_perturbation_7	WT_noGluc_perturbation_7	water_control_7	water_control_7	water_control_7
Group_ID															3	3	3	3	3	3	3	3	3	3	3	3	4	4	4	4	4	4	4	4	4	4	4	4	4	4	4	5	5	5	5	5	5	5	5	5	5	5	5	5	5	5	5	5	5	5	5	5	5	5	5	5	5	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7
Batch															6	6	6	24	24	24	48	48	48	96	96	96	24	24	24	24	24	48	48	48	48	48	6	6	6	6	6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2	3	1	2	3	1	2	3	1	2	3	1	2	3	1	2	3	1	2	3	1	3	1	2	3	1	2	3	1	2	3	1	2	3	1	3	2	2	1	3	2	4	3	3	2	1	1	2	3	3	1	2	2	3	1	1	3	2	4	1	3	1	2	3	3	2	1	3	1	2	2	1	2	1	3
															timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	timecourse	MPN303	MPN303	MPN250	MPN250	MPN250	MPN674	MPN674	MPN674	MPN051	MPN051	MPN051	N/A	N/A	N/A	WT	WT	WT	WT	WT	WT	WT	WT	WT	N/A	N/A	N/A	perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	mutant	mutant	mutant	perturbation	perturbation	perturbation	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	control	control	control	perturbation	perturbation	perturbation	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	perturbation	perturbation	perturbation	mutant	mutant	mutant	perturbation	perturbation	perturbation	perturbation	perturbation	control	control	control
m/z	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	M129	M129	M129	M129	M129	M129	M129	M129	M129	M129	M129	M129	24h	24h	24h	24h	24h	48h	48h	48h	48h	48h	6h	6h	6h	6h	6h	TF173	TF173	TF178	TF178	TF178	TF187	TF187	TF187	Tn051	Tn051	Tn051	Tn674	Tn674	Tn674	WT1	WT1	WT1	WT2	WT2	WT2	WT3	WT3	WT3	dldh,NoxE	dldh,NoxE	dldh,NoxE	AA	AA	AA	Fe	Fe	Fe	Glu	Glu	Glu	Gly	Gly	Gly	KO51	KO51	KO51	Ox	Ox	Ox	TF173	TF173	TF173	TF183	TF183	TF414	TF414	TF414	TF462	TF462	TF462	TF463	TF463	TF463	Tn674	Tn674	Tn674	blank	blank	blank	Gly_ctrl	Gly_ctrl	Gly_ctrl	TF173	TF173	TF173	TF178	TF178	TF178	TF184	TF184	TF184	TF187	TF187	TF187	TF413	TF413	TF413	TF462	TF462	TF462	TF463	TF463	TF463	Tn051_Gly	Tn051_Gly	Tn051_Gly	Tn674	Tn674	Tn674	WT	WT	WT	WT_noGluc	WT_noGluc	water	water	water
59.015	Acetate [-H(+)]	cpd:C00033													-6.794001691896377	-6.814446986134229	-6.800707353507935	-6.203279198823189	-6.440114169457116	-6.389860503377915	-7.258953066902992	-6.899961254080844	-6.633289563327977	-7.003294826866896	-7.03412316785623	-7.355843989377885	-3.802466010754612	-4.454462924556209	-4.094258219117516	-4.091071681416821	-4.586305594266809	-4.770514202013552	-4.3788034941386	-4.605507747371528	-4.802733713683496	-4.205252858161402	-4.14101574160313	-4.0065301855370565	-4.062877456972973	-3.8543022199527135	-3.663290656216467	-3.1603350202996094	-3.160666040110134	-3.3087729352292468	-4.317156236527705	-3.4945890460668503	-3.386573630407104	-3.0138050202364446	-3.3568360462457263	-3.3585120269991506	-3.559171988316404	-2.9375035522962802	-3.1117538330288075	-3.3211340737854287	-3.9432795494703563	-2.8488881428629713	-3.0865055039644047	-2.656831965683011	-3.40574658491941	-3.1362687008130075	-3.382066535266274	-2.8675573611014675	-2.7400210848022675	-3.314828874839896	-3.004184359229699	-3.8941411512683444	-3.4587500070644372	-4.0340685941191	-3.834098169842561	-4.217077537684018	-4.050025126221874	-3.9485148167216346	-4.375499529384439	-4.289631712064485	-4.566948987697572	-4.496942566883617	-3.751526861929723	-3.990283182490505	-3.7514192427428794	-4.341333763321579	-4.017139943555076	-4.324837361691076	-3.9066473415351375	-3.776410511198023	-3.581438460157957	-3.6138789785671395	-3.8363868556295424	-3.9285403141707196	-3.9697584806774677	-3.551308628975576	-4.091826557455636	-4.164794244922101	-3.559971780509523	-3.987807577390307	-3.695935339436468	-4.173195490203211	-4.071941141201016	-4.080266781925808	-3.894538720419111	-4.137314234031059	-4.190825543691784	-4.143247463005094	-2.978197896340587	-3.3624717124753323	-2.975021016197725	-3.3400975683786425	-3.0878364528779088	-3.590052730893152	-3.335758338220258	-3.2183638111862214	-3.528637106552811	-3.445543309144046	-3.255350938151897	-3.1234387468272473	-3.1006728465075213	-3.2050741052158496	-3.160251037870987	-3.118930394727401	-2.8758235234717118	-2.9044702107541345	-3.61516299136394	-3.6272326315285106	-2.8245255618956793	-3.3338342995055728	-3.0602962538896743	-3.5128353753035855	-3.234159678653024	-2.5642377827994607	-3.754689533864579	-3.4546235741608458	-3.5242405777302235	-3.636544237032095	-3.1033276075243172	-3.2191636466609164	-3.225863263075166	-3.3409438666081757	-3.3213804731985315	-2.6978629745861546	-4.460716066541038	-4.361600848729161	-3.6025561377905055	-3.354525234556637	-3.4865651323116045
74.026	Glycine [-H(+)]	cpd:C00037													-8.178245134412759	-8.495496958121691	-8.465951013545414	-8.618875915173797	-8.539488521769051	-8.51326518009597	-8.180833920460328	-7.89241991842822	-8.976457616633784	-8.551592376926106	-8.98941232621903	-8.870316734768988	-8.388832631900629	-8.491396475935565	-8.691557403716548	-8.560915167349584	-8.450827183725622	-8.30268813384373	-8.551921149040123	-8.663148275025533	-8.684737835380684	-8.46603112086014	-8.119872695490008	-8.439622739352794	-8.427686311077748	-8.45357304874899	-8.484514827344315	-8.444397147051362	-8.430379596613507	-8.27310971141327	-8.226547019811475	-8.336414794008164	-8.288453696871912	-8.312392618782038	-8.474148924828908	-8.447297855687166	-8.33220144104382	-8.028431002008384	-8.422849369580874	-8.471894474439228	-8.483773631858693	-8.368469176972614	-8.310571765063305	-8.126991138273958	-8.324220035921389	-8.48761799716948	-8.396472424307078	-8.299824134872058	-8.277225655651096	-8.3335125560265	-8.272815242535364	-8.729505031094995	-8.333080457745133	-7.060592396855052	-6.916148519730953	-7.177917568610011	-8.525029868029248	-8.718348671188162	-8.688514792621131	-8.982360155213506	-9.165633712558263	-8.918520986442621	-8.860653402998718	-8.820415806814376	-9.086303755478584	-9.074420784711497	-8.664695569123252	-8.71295317064119	-9.0959502840956	-8.64323958585564	-8.591293417388625	-8.54492988290663	-8.745276229772502	-8.941893287872483	-8.830519719078888	-8.737675441208427	-8.952306197115899	-9.0175979208242	-8.946733142869723	-9.153389344378791	-8.910096482531836	-8.844744024501942	-8.915453428751945	-8.968384941473998	-8.975720640571973	-8.864644853331454	-9.009338206278343	-8.697973110614827	-9.45892008181482	-9.54429460051943	-9.29496511784255	-9.223233330144343	-8.923743011045685	-9.495466887382264	-9.281130781264203	-9.33231416840969	-9.624541253945099	-9.206915777841155	-9.261284685174134	-9.034134272238719	-9.118053245211724	-9.258617633912674	-9.043592384165013	-9.264181240142982	-8.838665440475715	-9.271847997005143	-9.256031836724278	-9.48085670752761	-9.094440306782166	-9.114913958210318	-9.0038637173988	-9.298483588168786	-9.352910028508173	-9.082097043478937	-9.424461084542104	-9.518808450442037	-9.2997863691304	-9.28365048029141	-8.912052085065609	-9.081918710392257	-9.196531538569436	-9.441582944911213	-9.32019579422362	-9.124511296073367	-9.796274698871741	-9.468333697733058	-9.886689937010376	-9.390480997493116	-9.754017294719626
87.007	Pyruvate [-H(+)]	cpd:C00022													-6.149222171320369	-6.179715333691493	-6.195608139012841	-4.625899310149159	-4.300728296776431	-4.68462103285633	-4.96671397635637	-5.2183773315639055	-4.108529153956535	-3.841658039372114	-3.922102457880596	-4.991593636729206	-7.362211068244323	-7.489210440772032	-8.202664827070867	-7.548019288903297	-8.747803684895983	-8.60644389233032	-8.851207014360979	-8.569487957415431	-8.791116198507805	-9.176563441417418	-7.682782041507728	-7.095939937024229	-8.236451327144062	-8.35235882260706	-8.576831502506337	-7.919338082140636	-7.698405424443057	-7.321328622896426	-7.473560196325385	-7.490692378981337	-7.73598880066571	-7.490934413344218	-7.350264483251291	-7.728255663987411	-7.913014239461885	-7.706227632280057	-7.706676145965492	-7.681510260538646	-7.506189986857799	-7.321189210184171	-7.307804579273738	-7.5664024990473875	-7.750308738232527	-7.387211244111496	-7.870401055799958	-7.713000984642588	-7.206156872596093	-7.581082959639155	-7.670124631239617	-7.791628515246949	-7.421892153153803	-6.618568152145617	-6.526772300674678	-6.840355379250648	-5.877114132124954	-5.851217758253093	-5.7437972431644955	-6.764749909851376	-7.043939448633513	-6.986155115148399	-6.634828234831033	-6.507985958477492	-6.527645733250523	-7.374865107896679	-6.978398623417455	-7.129394686325682	-7.107932108084657	-7.019173878359677	-6.95003072530105	-5.796149096638159	-6.112595200224687	-6.131948616203909	-6.265784378273494	-5.930407332407356	-5.943374819877515	-6.262414271966223	-6.1229429241685	-5.852321146768371	-5.7396754196819915	-6.089197102831022	-6.0652863806936175	-6.015258566887638	-6.007747449475595	-6.393621680300168	-6.341720302541821	-6.4238418404161655	-5.388059742600719	-5.529470400558967	-5.1706968240127855	-5.1745807945982385	-5.219452772725884	-5.273917794839426	-5.404876180970796	-5.50600055475303	-5.971328639568637	-5.688038808919253	-5.288384523017487	-5.1675422530905175	-5.192203395899411	-5.189443826027082	-5.151955511643007	-5.331675009731972	-4.906034985713168	-5.119508927559527	-6.087861896134292	-5.439449173631484	-5.257874480391368	-5.220489973054641	-5.353868207856777	-5.519064383171093	-5.305257731970041	-4.662320048689826	-5.501371267735456	-5.373183201235166	-5.505504182567781	-5.82475710813405	-5.387878050618271	-5.3678829677308055	-5.342560489162054	-5.490788327400836	-5.396281634089968	-4.696573529551298	-5.600751470983374	-5.773277323840933	-4.439251168108256	-4.8079243875230695	-4.514882303813076
88.041	L-Alanine [-H(+)]	cpd:C00041													-4.77143102478277	-4.585160478055914	-4.6502471722602206	-4.7021635840819105	-4.682038819694067	-4.674702830197154	-4.987515134116932	-5.038248786138854	-4.46893895485199	-4.483987701753598	-4.32506762553308	-5.225589820718321	-7.365930862599757	-8.017150905304934	-7.57427446879414	-7.443603153650221	-8.061293956460377	-7.7700079530701185	-7.593996006428057	-7.9231290448347265	-8.0011785432499	-7.575410435691772	-7.75433223169429	-7.956715070739614	-7.962647062150772	-7.626408138496438	-7.4052654685703025	-6.793366811688481	-6.913247372105073	-6.855660631668659	-7.443777490133464	-7.113919260215679	-6.8202806390471205	-6.619425569570015	-7.0596460992193935	-7.005430738854163	-7.052161292988143	-6.759380987267089	-6.731981121478793	-7.0664808047290375	-7.593596341483078	-6.543835920938902	-6.631931907174607	-6.3338354948754985	-6.963651349037757	-6.564233246476592	-6.8449697104184555	-6.493028888012744	-6.468139712540556	-7.168351398631501	-6.758348384742783	-7.202506504554129	-7.041510988512831	-4.925647246131243	-4.937381586040457	-4.99832422852435	-4.922396204264439	-4.91874069374392	-4.832184157212168	-4.921021737163597	-4.978559914007889	-5.07705934225043	-4.7145566563890915	-4.7847567714547665	-4.6801222889262535	-5.120238734424966	-4.789397277743593	-4.919074500933467	-5.054323274426372	-4.908678371191297	-4.8253727123702	-4.858936926416856	-4.985450836233548	-4.919947160545568	-4.886277123479434	-4.949956224500667	-4.978308374675268	-4.9853595653490546	-4.876770782942271	-4.862534060484145	-4.947901725574609	-4.842027837344297	-4.874580190062567	-4.8576614166488765	-4.900647694062171	-4.943240284639569	-4.962474441464653	-5.022386593998319	-4.781306910235076	-5.002127026340229	-4.840798982856091	-4.792504383513196	-4.8478497829079705	-4.865577104445647	-4.847374491976968	-4.855422473385417	-4.931155409953612	-4.79868689841834	-4.866138226424453	-4.857308616273357	-4.811394347982963	-4.897371749590049	-4.84414966994386	-4.853835001076342	-4.81109871689646	-4.804686141780805	-4.821700153048027	-4.849669008237145	-4.756886035152898	-4.813724102614604	-4.796924419805199	-4.903500725237745	-4.823681964279116	-4.638009033675875	-4.890402576378826	-4.854586218815717	-4.876247785653792	-4.936666255363944	-4.855821646019746	-4.781752363128701	-4.903862269757223	-4.859993359711343	-4.860278497731807	-4.766768609768068	-4.940621101700589	-4.92247304529455	-4.873688698587442	-4.890356202731322	-4.869425977387146
89.026	Glycerone [-H(+)]	cpd:C00184;(S)-Lactate [-H(+)];D-Glyceraldehyde [-H(+)];cpd:C00577;cpd:C00186	(S)-Lactate [-H(+)]	cpd:C00186	D-Glyceraldehyde [-H(+)]	cpd:C00577									-2.5492329035823955	-2.347045012152972	-2.2682867452967304	-2.9858104847002194	-2.7835572280674135	-3.1720186397732593	-3.382566840743829	-3.5858409180818307	-2.5448979118306805	-1.9056761072873687	-2.0290024777000313	-3.0518658366047893	-4.090191522441239	-4.217974474174374	-4.364851945506906	-4.236796468057731	-4.2657818795459574	-3.8844900186125924	-4.156007865375184	-3.8229872474681494	-4.13465444264776	-4.050719431843333	-4.416076772518483	-4.296053128376948	-4.482209078040178	-4.359553504400661	-4.227432574303908	-3.9289310514098137	-3.7291000926986535	-3.855768975042005	-4.493255052430496	-3.989092076913644	-3.9311280217036266	-3.6527415874028732	-3.978761160941309	-4.108830437236708	-4.11493170165452	-3.763132394676797	-4.017030346290235	-3.8469803914908094	-4.366414551920023	-3.368161971732225	-3.355858887554237	-3.3510224661004084	-4.046463062699282	-3.7895555649116655	-4.116790765458614	-3.54666370280643	-3.3285930672218216	-4.037175905955329	-3.562884029618467	-4.4920586805636225	-4.008897751542836	-3.5099205085053216	-3.3690745237949273	-3.450189155460338	-3.326394010041839	-3.3728444708579577	-3.217858853053432	-3.84622526418941	-3.9672300405558873	-4.014676253729485	-3.376329411058704	-3.34341601569122	-3.350194581060483	-4.140858322393154	-3.6640922264201485	-3.378703515070008	-3.8368844915420617	-3.6005243095033688	-3.5851067100618277	-3.5364547598993177	-3.8300206407820134	-3.685160264656864	-3.59947274137336	-3.7635015143266624	-3.572662515284473	-3.6423881425312694	-3.740028368757096	-3.2630987051812546	-3.4871354132223735	-3.259670587336731	-3.405605640318992	-3.5188896433855197	-3.5178076763790767	-3.6256287157817946	-3.724481903816841	-3.8353467598107702	-3.3035961091102	-3.575853087514358	-3.169976870724448	-3.245880316445176	-2.925230607186189	-2.9509510238058496	-3.541090072562681	-3.500327900658113	-3.634901975887516	-3.5260022498484926	-3.2986336915848415	-3.1703377386787177	-3.135912478352588	-2.8955320102231297	-3.0892337747513574	-3.3327106728736324	-3.0658393993312356	-3.097929075995178	-3.458719628436296	-3.394255942268287	-3.008573864251582	-3.283712348690594	-3.068608892105446	-3.417948205191357	-3.318654699702021	-2.6455615076420775	-3.494857940213551	-3.6001757767890417	-3.604284044119003	-3.9079062373124605	-2.690343583668824	-3.3381206953996725	-3.447646511119137	-3.4646025304842127	-3.274510586153373	-2.7167093052439837	-3.7976612957718006	-3.700625042284191	-3.5572838987985422	-3.577305226786341	-3.550192914316553
91.04	Glycerol [-H(+)]	cpd:C00116													-11.541330001821303	-11.834836497224119	-12.08843854606468	-11.520550539204367	-11.845155284661535	-11.439347582832399	-11.635722589445255	-11.683180609188543	-11.413753393017094	-11.367549618154186	-11.318201652252306	-11.223122878694593	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-9.939791676048909	-10.021951530942955	-10.080587910835874	-10.71818689042475	-10.434179205963474	-10.804374567107034	-10.659348065239081	-10.885546388753832	-11.187634530540885	-6.839766286636214	-6.684325987040183	-5.593838443594612	-11.704565055242467	-10.992915484957937	-11.347124278100479	-10.939493744597767	-11.040927724327362	-10.85576531180633	-10.77182084641844	-10.761809891668566	-10.67675782993281	-10.855655026123435	-10.458501177047424	-10.705492808779708	-10.365622205784739	-10.665959984381196	-10.516684131543913	-10.250040027464202	-11.065573559008874	-10.577868097361497	-10.453230624794948	-9.90467504538425	-10.284868218438692	-10.386205716000697	-10.751665980680709	-10.195009943884486	-9.721081190477744	-9.580427177919704	-7.75041603620939	-6.735652229351473	-5.517470508014949	-10.082631362508193	-10.198939578963882	-10.594670913997849	-10.80156933014195	-9.516025112002266	-9.717317758919036	-10.206102161578137	-10.169262940561511	-9.412017808732578	-9.853416714000334	-9.820990271408231	-10.007564324013376	-10.232316138994472	-10.591889514202144	-9.883216012818393	-10.044947437317894	-9.867479938363322	-9.986631548460089	-10.207034786556404	-9.491264484029779	-10.425736537200088	-8.127705459790112	-7.653000029326992	-10.657467169691882	-8.463392331616921	-10.004018341125102	-10.183362242896441	-9.915941683422147	-10.247653193704272	-9.243842605825384	-10.190527165650268	-10.505048913355857	-9.484902251770551	-9.355204893478446	-9.293954317727431
94.03	Glycine [+F(-)]	cpd:C00037													0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-9.611634136816129	-9.1133562847066	-9.640251995487889	-10.285135164549294	-9.542436782827975	-9.506652661515815	-8.814549036042756	-9.326663672574668	-9.321618694121142	-9.349771227586333	-9.028644489744222	-9.136986204354894	-9.26916411800422	-10.123539241215424	-8.417590761483169	-8.662030798341396	-8.528023320551162	-9.553120251340712	-8.954373327422013	-8.84986984751992	-9.062643522996003	-8.883640915223326	-9.554373305169769	-8.860795883106007	-9.41695434703852	-9.337008611124729	-7.588851796557455	-7.637443706584854	-7.806075359568025	-7.743322945328664	-7.60735944775489	-8.04243864963045	-7.824075867526557	-7.9161452259920555	-7.889033116562431	-7.504735673431215	-7.727768844472286	-7.202538024546144	-8.058485401269648	-7.615534329237561	-7.960584750685814	-7.433014697676785	-7.47545386624499	-7.111273182013763	-7.700861828886521	-7.714196130024073	-7.739010325738381	-7.738873417868087	-7.279823329490947	-7.899848498104983	-7.96800346568103	-7.357002041241604	-7.914131115045	-7.546136440411208	-8.063711562006356	-7.800385909349509	-7.742151979339455	-7.731514370403964	-7.778123839563842	-7.8002536564075	-7.707724480403129	-3.4157382078799654	-4.071267596963496	-2.9864924612105197	-3.8573382386107538	-4.675663691770616	-4.7350823450736135	-3.976229544146943	-3.885482930228008	-4.737604641190159	-3.931077809439354	-3.3105322483141553	-2.9649735448452965	-3.1774345927211245	-2.996427252034829	-3.6214272598237884	-3.1561536566086557	-3.043140508292943	-2.9078764207601857	-5.327562571736028	-4.285159473928963	-2.7314310761324263	-2.9238211889448222	-3.3819156849077223	-3.7582282757226544	-3.8549733318535186	-3.440235689333718	-4.5419830379917965	-4.105056006171763	-3.989365742825434	-4.963045794523282	-3.8170974785901093	-3.9305899899309797	-4.00547972243138	-3.7264754948220675	-3.5973631284170247	-3.55774760706779	-5.0254315408933055	-4.847795344666179	-3.387310436782613	-4.105857946680488	-3.514058762923231
96.97	Orthophosphate [-H(+)]	cpd:C00009													0.48629834474664807	0.13537818443960833	0.25764003423552995	0.34901904330105965	0.3864289818432942	0.8930917994635362	0.9316516934801388	0.5196448341060639	0.5711038202729597	0.8286143853499162	1.4112844503031	0.6605122208900841	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-2.8551672917651505	-2.770826042603459	-2.8030176676449066	-2.871170828398796	-2.8509726706285883	-2.878736886789859	-3.1385116607646735	-3.2437915294781097	-3.1895721844366878	-3.0861173910931288	-3.17571752150527	-3.088048693624889	-3.7232060329927	-3.39420184139359	-3.3050174348494155	-3.3769742337227573	-2.933298550684843	-2.869635387366764	-2.8093382685503054	-2.699352002036529	-2.7827973330214317	-2.8528601376709948	-2.6800206087476917	-3.0141853628805992	-3.0251022382640835	-2.866180173599135	-2.9612821155562132	-2.8628605727634064	-2.976991405880148	-2.927119506316609	-2.9048991333478122	-2.8725624500338114	-2.856726322358016	-2.890401692142027	-2.8274071777971197	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
104.036	L-Serine [-H(+)]	cpd:C00065													-5.835438137551514	-5.808896940631018	-5.680940248241861	-6.066534537907225	-5.905759007965751	-6.110317131464396	-6.3135288384872155	-6.336133915472564	-6.2056486089864755	-6.105605213659346	-6.761353732199885	-6.538657478311312	-8.227510247271304	-8.452176116621512	-8.44469829839343	-8.45505567257818	-8.228984934711514	-8.319018986889061	-8.31744708074548	-8.522800251184512	-8.451061816886533	-8.646647380727572	-7.967366339260855	-8.157698548737535	-8.122165149598475	-8.308322667470861	-8.111188733822562	-8.38948582021345	-8.144623402350419	-8.265449862160335	-8.49336226647558	-8.394242780006024	-8.271431680145737	-8.404635159318525	-8.601719676823805	-8.672206986969053	-8.447447027164305	-8.21743182915607	-8.661966719111401	-8.434606927176253	-8.566381219879336	-8.306436077926286	-7.762151248506958	-8.343237143542016	-8.150951550875936	-8.553568852631399	-8.706182124386816	-8.532380846388396	-8.024591165988502	-8.55046011993525	-8.198541064161718	-8.995127615374287	-8.223992956631147	-5.6764403066852624	-5.41472486329733	-5.424168189405629	-6.336873669022155	-6.533875979984993	-6.166803384142451	-6.455598440827467	-6.545050688800547	-6.551003419206373	-6.562793106130584	-6.4518307559604064	-6.720853925445898	-6.732388182418044	-6.560080959852623	-6.32094534801023	-6.913137775322042	-6.742297870340449	-6.889831807777616	-6.5834819846256645	-6.692907811530569	-6.540406511025968	-6.6065197341377795	-6.657279941153921	-6.493450530678508	-6.429449201025446	-6.565082449083083	-6.442127120821114	-6.644395371260407	-6.328640318747916	-6.445052011039135	-6.47319825628248	-6.6020516131538045	-6.453451496813488	-6.462884984358709	-6.4325020899520275	-7.047998009332177	-7.18961033355558	-7.2910040516094945	-7.062253669249403	-6.98328236448001	-7.060693275739744	-6.932107481328578	-6.925619594952057	-7.058112083811911	-7.07053866161581	-6.845142993855939	-6.8580603127448425	-6.884892321944406	-6.846924720490738	-6.8066739333416715	-6.944322444955945	-6.816323785401114	-7.01919057009089	-6.892617426523464	-6.908018632744467	-6.7150553056524664	-6.908138985419934	-6.920798591499228	-7.123205025314773	-6.934382697899661	-6.400190548454222	-7.091574478429854	-7.007492435013512	-7.0175420001217566	-7.056077376990969	-7.4776677030364915	-6.978968353158095	-6.890780989025192	-7.12895577592556	-6.998431732583805	-6.7439507070690805	-7.46819258858549	-7.211147342701272	-7.815011832300846	-7.365237639635916	-7.542249843910763
107.013	Pyruvate [+F(-)]	cpd:C00022													0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-10.37220526579642	-10.804452227114961	-10.200947159516174	-10.91939520221432	-10.605120466311371	-10.610930421081113	-10.78871467559555	-10.543166990133063	-10.9390317032602	-10.897698312919816	-10.613345588597227	-10.67772797793678	-10.546776533042523	-10.73506866523097	-10.351144240327793	-10.786441910270135	-10.385154865809877	-10.442054757033759	-10.530412675404293	-10.981471593794469	-10.544748630650837	-10.73352876821223	-10.6947767768244	-10.760367408096277	-10.674432686553617	-10.24272388454221	-11.028478188243653	-10.88559260394817	-10.66995450779388	-10.969032106392733	-10.627242004918186	-10.699526629950068	-10.659510491153902	-10.637711484303598	-10.843893637930082	-10.24004368320759	-11.1121761986335	-11.081481535276273	-10.419167857013168	-10.393325677243935	-10.386698848259087
108.046	L-Alanine [+F(-)]	cpd:C00041													0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.556413019037467	-7.710713091831938	-7.829778889400637	-7.890349639314496	-7.5492850150984365	-8.066140662207115	-7.813656250597683	-7.911129474592156	-7.854181269246868	-7.6882449971178515	-7.833841023022898	-7.662633011454876	-8.271662503647299	-8.05005457750512	-8.346926697581209	-7.828348959033152	-7.627038890102003	-7.5526940562548255	-7.70446572883737	-7.745127968745089	-7.894877033358368	-7.930764398244047	-7.485474948200947	-7.86233133789281	-8.010356560121624	-7.468755845007358	-7.971948021170472	-7.620957790775068	-8.238599241606604	-7.699832535245839	-7.739816896468014	-7.715605620431053	-7.8519479230111635	-8.11730388095148	-7.496428009608465	-4.660385325430031	-4.758414197153906	-4.291767859668172	-4.684367765161215	-4.747759341058196	-4.747947355776236	-5.032000544185228	-4.9662161997219965	-5.237787942828001	-5.152121413127782	-4.471653339735491	-4.224066642409683	-4.711029432073505	-4.611887026457897	-4.468964400245912	-4.8069562651758595	-4.427278525360911	-4.208787263759324	-6.114610203473868	-4.98061819042356	-4.3156467723665335	-4.52829092322747	-4.572518659364852	-4.713118749958123	-5.060712166132254	-4.331988906491458	-4.940080726447643	-4.764159814785503	-4.744367771920498	-5.313390335933233	-4.95592242742104	-5.445494507032665	-4.769311665576937	-5.022909634551836	-4.625637625147217	-4.051941776368715	-5.092636111396308	-5.195509248341627	-4.026815410172278	-4.207295356596245	-3.748612033734423
109.03	Glycerone [+F(-)]	cpd:C00184	(S)-Lactate [+F(-)]	cpd:C00186	D-Glyceraldehyde [+F(-)]	cpd:C00577									0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-8.695278056711917	-8.353025218185536	-8.677377070550204	-8.562266249476105	-8.555426077236802	-8.817373732919966	-8.608605138540511	-8.67086854486033	-8.752098254226857	-8.875869477281988	-8.901612681793448	-8.748811035459315	-9.273002154516886	-8.629026389153742	-9.166507349497365	-8.851745457449915	-8.768275048146526	-8.846611084265945	-8.123207578678334	-8.312511879088929	-8.409626007492738	-8.723323661056769	-8.211674819241551	-8.64814499179771	-8.903400967904414	-8.33430698158806	-8.680102641874765	-8.533033037463664	-8.898808954778982	-8.697380842683154	-8.651681443755963	-8.604075595985513	-8.673307933131715	-8.720977703589496	-8.481244551691965	-6.2270745082638115	-6.278816143111892	-5.825585127336215	-5.956147268034549	-5.845441970529279	-5.94028828867622	-6.410648034688557	-6.311370115207094	-6.57209923970392	-6.6864690439755465	-6.011569836071832	-5.739686614533226	-6.220412263626203	-6.141280672784202	-5.7953947084483595	-6.335658871908384	-5.7782510275413275	-5.692550907289671	-7.199579501737474	-6.250265029518562	-5.8463692295762835	-6.199531786909101	-5.99147306549621	-6.152142948209982	-6.4100464822447565	-5.591228273411302	-6.363267910242299	-6.262460410916642	-6.224046448688915	-6.639122657205828	-5.640691844085257	-6.715174791675746	-6.194713994317425	-6.442438719308874	-6.009926900381993	-5.4290028881366315	-6.460940273931977	-6.596396332197547	-5.5173207554911095	-5.564286183970763	-5.1689032323636575
111.02	Uracil [-H(+)]	cpd:C00106													-6.753821124719849	-6.482587314836986	-6.415241867298854	-6.367836477900183	-6.135947161555219	-6.056749839843077	-6.529571389550896	-6.6037029857874785	-6.2483364859759405	-6.279740041594346	-6.288979281400484	-6.543166247621746	-7.022215248309918	-7.111241931936757	-7.056360572654064	-6.975738920031481	-6.8918603895037025	-6.7355678465926285	-7.087259862897177	-6.964932496580974	-7.107848739327266	-7.076081896335927	-7.234093850050403	-7.2278056523570955	-7.288191691678532	-7.186152268481018	-7.108507570881789	-6.804754597397592	-6.565314163790344	-6.676967198420185	-6.835078786659128	-6.56614802491269	-6.925406196461934	-6.452027426303127	-5.665758794983137	-6.294899718394309	-6.4364557106086036	-6.592399278417159	-6.839797273132908	-6.504097825909065	-6.287227295061633	-6.768894705590077	-6.3748132011287915	-6.347026239263099	-6.899951907312983	-6.54626725468384	-6.6630657841832885	-6.698051128576188	-6.664653848771085	-6.60891308363944	-6.392513367533347	-6.218797621964786	-6.5497064702717545	-6.821198843633449	-6.661092437937396	-6.855676681991197	-6.647342462044447	-6.682083992385253	-6.689360704476162	-7.020001717556477	-7.069547454756824	-7.213639004420652	-7.033437797524339	-7.033182679416918	-7.062141892376651	-7.3834055524752555	-6.985261601675787	-6.911492807864719	-7.211863701599496	-6.957034344109326	-7.041598841330899	-6.888330889134053	-6.9125063131075235	-6.739167034654527	-7.063560727249574	-6.8415519107818925	-6.997101724065231	-7.008093391212973	-6.957253861350691	-6.649811551901124	-6.919002117015596	-6.880845260559549	-6.80569429117624	-6.971584854870346	-6.87387137576392	-6.875347719772044	-6.869329634002092	-6.88070860254197	-6.358987390180837	-6.302133453713074	-6.035837370754345	-6.035892628626789	-6.108311300279248	-6.260972742033984	-6.320790362464609	-6.444300048720103	-6.472394755691851	-6.404034019849905	-6.207401569404486	-6.074597777739725	-6.196513603650636	-6.278266930838082	-6.079139868012385	-6.472995698912594	-6.139410130668733	-6.170223394578098	-6.2010328920936715	-6.318284634722238	-6.193920451065765	-6.360803995230253	-6.273955814337835	-6.295146968121693	-6.235802842095325	-5.983590646434813	-6.146085344993895	-6.163985672570285	-6.2203175106569875	-6.442331459104027	-6.02290900368242	-6.303501453566346	-6.285780955998895	-6.335427125147657	-6.198371886253291	-5.747318226598084	-6.01990534720371	-6.389804044353686	-5.700490994486928	-5.914749244405708	-5.706536545471122
111.045	Glycerol [+F(-)]	cpd:C00116													0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.791258861660277	-7.749605746254166	-7.350173534152724	-7.4819240430522695	-7.455999863349368	-7.428610600382238	-7.972716164229927	-7.963779100847434	-8.249044055012204	-8.166143586626937	-7.60692149404346	-7.365605351730756	-7.87228658127721	-7.778435389650792	-7.4037421688263505	-7.9333268389567815	-7.4512892839447975	-7.3100222997088125	-8.682483005138094	-7.972762932148518	-7.4480394956947125	-7.711641085437759	-7.675101657650243	-7.759146690014475	-7.908769387549684	-7.183134557631403	-7.953522875484377	-7.726272982612276	-7.75527706765765	-8.240698398555216	-7.503026118219145	-8.378486478205382	-7.676680685919104	-8.134494639563309	-7.698818554173625	-6.916128266663076	-7.988344160300768	-8.262243447575713	-6.968292237270422	-7.09166250059022	-6.762427111125276
114.056	L-Proline [-H(+)]	cpd:C00148													-3.2044742151464343	-3.1189241437901267	-3.2202982665914432	-3.663324836199724	-3.9302150485689262	-3.7273418157695284	-3.5256456044702653	-3.889279549339591	-3.316154026257378	-3.6898057734953995	-3.321263082838791	-4.189470728138642	-3.494975102406291	-3.915274547743185	-3.3244802402410083	-3.578477864082391	-3.9368789587773927	-3.770643092062189	-3.2308841934933756	-3.6604289877254397	-3.608482821779591	-3.178357860987153	-3.825593482646602	-3.6699716449177227	-4.094310640808137	-3.945176699550269	-3.705931614829561	-3.7919470829154753	-3.6195932313627392	-3.9434568457680714	-4.563024396539329	-3.767828340379083	-4.090839493794995	-3.836369970680294	-3.9211906023766834	-3.708648870490116	-3.7370482521648145	-4.011892309078089	-4.173670120061678	-4.07040660989501	-4.347423560772563	-3.6212797765400677	-3.5550459499861016	-3.456446422014488	-4.187683829816914	-3.626415507129059	-3.800815472636341	-3.9938990613853877	-3.8174566870885105	-4.20183080927374	-3.818395159480131	-3.9796402042694616	-4.056031439097033	-4.123768936998731	-4.500436341614782	-4.5250524064350435	-4.864514874756523	-4.917400839520473	-5.071693622498559	-3.756034517898033	-3.5129433681534787	-3.5042658338129917	-4.3773445465587555	-4.365181316327647	-4.211411551092502	-4.321194533591837	-4.101825522150961	-3.9944059151733677	-4.642013763204204	-4.687006469534609	-4.622863644491768	-4.142785951357215	-3.994076447000866	-4.347905604187331	-4.079482979472101	-3.7452090853712163	-4.049773888711934	-4.362836757696194	-3.8600356265634455	-4.4013692290333175	-4.259077670879114	-4.565977431308966	-4.266732316121914	-4.275039837513061	-4.107453604314996	-4.6544432214571065	-4.613537000796171	-4.475078251060601	-4.740216366440552	-4.781837213015858	-4.701104471408072	-4.225473089138419	-4.308425020180864	-4.362756178896457	-3.9507803910215458	-4.109396194868278	-4.3235691919776755	-4.149762089635243	-4.004230598019211	-4.067825244169237	-4.071495262718935	-4.086386696399251	-4.206833739976503	-4.076799540992009	-3.9204310209531017	-4.1177598557320385	-4.104313533993338	-3.963228954288806	-3.8064228498456942	-4.045005907876063	-4.160626772395714	-4.407467555944508	-4.216679122580965	-3.7323112663698095	-4.495502016307332	-4.118562773546976	-4.260887200656517	-4.304214200777392	-4.158760117059452	-4.392138258544074	-4.298581510866503	-4.245768173542676	-4.336241476465617	-3.860841200359461	-4.112712987888223	-4.3926631491200405	-3.910370617005232	-3.929215179160554	-3.89525403154019
116.072	L-Valine [-H(+)]	cpd:C00183													-3.4152140958613324	-3.4758006472550527	-3.509480115771329	-3.48613803526726	-3.4806745130227936	-3.397155823224518	-3.383251655527271	-3.4964770625235184	-3.3533151267090098	-3.3618497473119437	-3.230961067227532	-3.6737379973348308	-3.443328365701805	-3.7314339261813356	-3.4532440794585084	-3.5452733146944566	-3.6304056346312614	-3.540882113143031	-3.4097651859287157	-3.4887404564133386	-3.662287134695777	-3.3355442839698126	-3.798891575606459	-3.6485976807229266	-3.6158734390800413	-3.6130915644002273	-3.5038797440376377	-3.113252634705742	-3.067297689887153	-3.1527134027461896	-3.3417817981615343	-3.0872826712645134	-3.259663705727729	-3.1531778197306712	-3.049919262058178	-3.0167696829319195	-3.1178202529922507	-3.1931445984051896	-3.187763574441028	-3.1147814842788137	-3.1348329131742325	-3.139480253930501	-3.1166602581156932	-3.1032510088764536	-3.304482115026261	-3.1370333314652403	-3.169504529161138	-3.245739307848821	-3.2453086991034885	-3.197484661108905	-3.0790429625568128	-3.118554001909426	-3.093505597526219	-3.5787431345640677	-3.612732730890768	-3.6210084802919176	-3.5779960633166126	-3.64509467511332	-3.531486541109111	-3.5388687717179015	-3.563303389317515	-3.6049783962943147	-3.3913555871239187	-3.5444697307089146	-3.3244649262246133	-3.5724531702348328	-3.446640301164857	-3.568051899738222	-3.47651704078836	-3.4931493301538423	-3.5078198317576113	-3.6195864080275	-3.58769783443484	-3.5316804762455662	-3.557927987653126	-3.55162515360489	-3.600895555337178	-3.6584533829372465	-3.6256150520110935	-3.5215602645819946	-3.5466608803264235	-3.552307872809915	-3.683026728474798	-3.5718681452153596	-3.5889346576537213	-3.572015359639117	-3.5819845537199386	-3.6402513039760183	-3.2402464695750863	-3.188303406147954	-3.0985530126051235	-3.008017773149012	-3.1201899160379307	-3.047717006911143	-3.1514998416581945	-3.193463003842509	-3.2209950655656026	-3.1174261042889713	-3.0322372486586997	-3.0763908203260213	-3.036244788026309	-3.1122586818165	-3.0660055807416073	-3.182686096555315	-3.0855448802899477	-3.1045196487509186	-3.168562655749609	-3.1059297742823544	-3.045717489214035	-3.1283930964900266	-3.006718268686014	-3.043184056532727	-3.0768754146296855	-3.0600897558838023	-3.0968605993099327	-3.0768287582950022	-3.0672465748193054	-3.2191666228239946	-2.860490510588251	-3.129517521818669	-3.0817964847812207	-3.108839777831206	-3.072300018452992	-2.9669362536279023	-3.0242294293018572	-3.08193498134337	-2.9829058760455145	-3.067909652151572	-3.01436159798979
116.973	Orthophosphate [+F(-)]	cpd:C00009													0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.44450683569955	-7.493991570850407	-7.404984556352603	-8.092179212497195	-7.248556390975273	-7.737082588979668	-7.566255522783442	-7.450677937730267	-7.573320842560322	-7.695846145383036	-7.514829638873455	-7.4778028277041315	-7.051042584135897	-7.41603041144027	-7.665353623322237	-7.031156706497677	-7.885516788125645	-7.494156233879088	-7.579709199916011	-7.752155789492866	-7.3939915241859095	-7.749877906905269	-7.42088039225081	-7.3247656512328225	-7.733904059065716	-7.399703170751133	-7.347123524123904	-6.949479741073025	-7.228065321138038	-7.211586609400551	-7.0644670585297815	-7.162761061863049	-7.316536436056699	-7.830856871289199	-7.688285347751632	-7.096821333788849	-6.791615349689761	-7.329480283446279	-7.738334611989217	-7.718227432537928	-7.483511778778891	-7.281587178847586	-7.018051011845471	-7.018728746757542	-6.937373763047665	-7.187594904227427	-6.913548856766274	-7.175055813399094	-7.319912847829343	-7.104689944668078	-6.973922964533997	-7.117791425464755	-6.897290573374976	-6.984920243991188	-6.788996885134222	-7.354342394730608	-7.340364961928903	-7.503674713263546	-6.763975946529738	-7.096188088936171	-7.1880009339079285	-7.530620453946907	-8.052115254701448	-7.9795725041386225	-7.982485203255451	-7.938343597347574	-8.279722128669986	-7.73303998882437	-7.8375697566038225	-8.38734356666175	-8.030284552838605	-7.948953336035107	-7.8008336641570715	-7.3342953490138285	-8.039379787180156	-7.653132186783337	-7.800539696831327	-7.195862845924483	-8.009156007263767	-7.8653083323440525	-7.571588410671313	-7.225522310441244	-7.43746295377327	-7.443035197638152	-7.672422252013592	-7.697020744882674	-7.334295709153868	-7.838897663450634	-7.792860661170731	-7.8740131449331825	-8.145167590945151	-9.071754074885456	-7.6034643238672315	-7.459192982923413	-7.856670685583239	-7.531594924690445	-7.4976863793232615	-7.932752705326842	-7.789112403683888	-9.25531642520494	-7.873016050224483	-8.768931295791466
118.051	L-Threonine [-H(+)]	cpd:C00188													-5.491556378016879	-5.597941508377689	-5.54103276477261	-5.909625838491446	-5.880202224125679	-6.030852017081841	-5.825193944660248	-5.943768661784367	-6.033209798543315	-6.110078281277874	-6.608497958063106	-6.1543460855171945	-5.755206858802831	-6.058448745019135	-5.97041998735038	-5.95981411144564	-6.030003490947696	-5.890995879766741	-5.859727189850905	-5.946633171628668	-6.086027968230163	-5.950800236249626	-5.666685069473873	-5.827128776477025	-5.952032475807957	-5.817418665551998	-5.6649681064725295	-5.647423085383639	-5.419300718326002	-5.569439541072613	-5.585797065695172	-5.603253368303023	-5.592031861068362	-5.501482462555198	-5.658367388012587	-5.698460809885093	-5.6679402742098715	-5.49227666107177	-5.640887159297054	-5.645208034828179	-5.688621003163051	-5.631858085537803	-5.272526053324654	-5.532868099802161	-5.60047754345927	-5.699262001572453	-5.690034240897327	-5.468641358318922	-5.344733889775943	-5.594774277607339	-5.451417594042329	-5.742335562604792	-5.6149504491185755	-6.260000472989514	-6.097614896150462	-5.95024730842634	-6.133575272865379	-6.364706770617333	-5.967330478681463	-6.2309659460815485	-6.33907896485483	-6.359329246353551	-6.229971441957823	-6.210339005568623	-6.310499374659392	-6.44824910498503	-6.226324584531639	-5.964415437540336	-6.49023391908053	-6.281948055707191	-6.331035053886256	-6.332874661191596	-6.430473667196862	-6.208584213137028	-6.26048142328045	-6.227203525666767	-6.122243310452903	-6.123937839347059	-6.203633524560531	-6.253408851847619	-6.3439141974995605	-6.115424201900871	-6.202714096350503	-6.191700016740259	-6.276753703546963	-6.1284430573551605	-6.229346833965126	-6.2213177918140055	-6.386206291396356	-6.588211961015138	-6.458303140661668	-6.466911704039256	-6.345346035811884	-6.634385823451652	-6.3236393847702095	-6.3266774997942	-6.4496534035905055	-6.501120320086354	-6.296824379941604	-6.275513472260134	-6.205529778389213	-6.408910735491213	-6.247036367312814	-6.316774064585024	-6.2006910146816345	-6.299082533092905	-6.364665228192543	-6.367677492559095	-6.186318048804556	-6.2981235392837505	-6.205382628971428	-6.487104020516968	-6.332173570080555	-6.001584933277433	-6.552291043436276	-6.445572853499428	-6.387451834220304	-6.430789991743835	-6.617779386550415	-6.429058891535333	-6.348302462179235	-6.546446042977234	-6.364499205970107	-6.196996470647542	-6.796710109622966	-6.647312932832083	-6.861264329780121	-6.708627974023255	-6.732995083922575
120.012	L-Cysteine [-H(+)]	cpd:C00097													-12.701241394712401	-13.133151504715116	-13.120818060471795	-12.968428736200734	-12.556494739612454	-12.5896327651884	-12.534683116225848	-12.538159323296014	-12.495359064618759	-12.523491935060177	-12.823391644913405	-13.05627046255707	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-12.15877058553607	-12.106877439146778	-12.066416932300605	-11.716356191920418	-11.774702735389777	-12.3410134786656	-11.777258032759654	-11.807264711885352	-11.752792754153221	-11.993567796738484	-11.859669891051716	-11.913040296149271	-11.60796106468003	-11.350697061129733	-13.917899482864891	-11.533145902927597	-12.246799072088873	-11.59270832370425	-11.801156336063565	-11.935732332922179	-11.571206262854938	-11.11150449675967	-11.108862962810502	-11.103963743220158	-11.416528820252347	-12.239125914038498	-11.144900562566855	-11.13360090578757	-11.885108932902192	-11.088878462584741	-11.301987640017714	-12.275906812858915	-11.342595635722938	-12.445490586124825	-12.037269565127863	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
122.025	Nicotinate [-H(+)]	cpd:C00253													-7.610932093974538	-7.70226657268988	-7.631545603146442	-7.5141003526908285	-7.4304043022671795	-7.009284906719412	-7.395862480979495	-7.594812182601855	-7.3576593624351165	-7.311973437551212	-7.027039309089543	-7.634829018134329	-7.257266180577599	-7.453569529948467	-7.326790684125557	-7.2606331595431035	-7.377446633178604	-7.190864536167828	-7.481921429514882	-7.36982152579572	-7.4127669977967425	-7.316371477796888	-7.755723913693645	-7.701399482974278	-7.539138858716573	-7.518601775224012	-7.272166850591852	-5.514531637872481	-5.674177430816186	-5.485791591829413	-5.951803601944209	-5.832439837321384	-5.75999820545734	-4.976804073509142	-5.434645111562564	-5.479519474368756	-5.6592960010276725	-5.850132864401568	-5.636390169673596	-5.668495498149948	-6.069549874846886	-4.98230970824389	-5.033885807461461	-5.160320096943566	-5.853686656666319	-5.09997852347551	-5.639360104735671	-5.4411491446614795	-5.528660155462277	-5.815094474754717	-5.458133089929972	-5.249405643707663	-5.744987624991189	-8.321692843742163	-8.44656603588226	-8.534968753020934	-8.441224650698217	-8.25318175755628	-8.415769278246826	-8.411620487061116	-8.599439963524329	-8.504029003053319	-8.376285669634548	-8.500037735994956	-8.181103239132428	-8.857545755576798	-8.541462648911816	-8.709078133069962	-8.419479897004766	-8.449834342745232	-8.184091300812556	-8.386071216812326	-8.428323492971442	-8.279622134933515	-8.186227199611315	-7.966123247696908	-8.361265717199467	-8.39321564243437	-7.992852905839233	-8.376489571460338	-8.10758393262304	-8.458438776148721	-8.239500532536397	-8.159520922523889	-8.217480905244056	-8.314912082158642	-8.26253840545272	-8.313883912669835	-5.1042341022963225	-5.506288305454057	-4.735551416162728	-5.184649942237183	-5.704967084677429	-5.767366311599565	-5.3271116598079535	-5.367360844285009	-5.915364693213632	-5.459711620438855	-4.847554522537211	-4.6278732645352285	-4.6542688979327735	-4.730366715920074	-5.030675730509813	-4.839152108885761	-4.560341399440876	-4.511400840120074	-6.045049307817261	-5.567912291592117	-4.471059381172333	-4.5214305211535954	-4.791726803150789	-5.117175793870555	-5.159748467295176	-4.675040780391444	-5.594464748514993	-5.334544463700316	-5.352885723166924	-6.072695801712762	-5.070849424969189	-5.423189333650338	-5.201934299062201	-5.219182098295703	-5.124800329661848	-4.831878053453853	-6.077669466679123	-5.983096948219459	-4.54148775606972	-5.001184487386739	-4.627072652374547
124.04	L-Serine [+F(-)]	cpd:C00065													0	0	0	0	0	0	0	0	0	0	0	0	-6.364118326110227	-6.524742805088162	-6.25904388551077	-6.235287482498165	-6.336305407685781	-6.253697861271334	-6.485334796658076	-6.425732080918569	-6.501838475034335	-6.296918757672236	-6.683927487532647	-6.8943320644620085	-6.71577671347397	-6.520620374560992	-6.2524226999975	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.836974676333797	-7.878311633685967	-8.049912868898126	-8.19261061184533	-7.893658251893417	-8.354637681007402	-8.341351050757346	-8.182604801098673	-8.322797830044596	-7.6851157152345655	-7.844462198519082	-7.545361177137991	-8.333252226925993	-7.915566035323294	-8.38143404343812	-7.483223390031201	-7.867045561739789	-7.24748773577325	-7.990104947330575	-8.070963697080593	-8.445228054050014	-8.275994997081149	-7.786263164900862	-8.405346196111108	-8.278230384169868	-7.774392359434696	-8.114116204586537	-7.814783182335915	-8.195503488326677	-8.141817650192552	-8.100900326208484	-8.003260758793967	-8.326964380060875	-8.178746762945229	-8.246238324866654	-3.2635562334467347	-3.659784365962572	-2.8574321678454333	-3.4533719611018174	-3.98060481233384	-4.085077357475129	-3.6782625132568607	-3.620692944746107	-4.2783462461831	-3.7865927959793324	-3.043656439825001	-2.814011057594853	-2.921568396631766	-2.922937087412782	-3.276652534481978	-3.1285167263159446	-2.8037034451307177	-2.6861452274270863	-5.125484918653781	-3.830903933589697	-2.5885854392876535	-2.765041017981253	-3.048641067035764	-3.406049134313295	-3.6501522202212358	-3.1266172013684135	-4.02408809673428	-3.7022459650134527	-3.651488725789032	-4.397316648177453	-3.7039657415890277	-3.9420506475686126	-3.516491727099639	-3.60945272721645	-3.3310762709535853	-3.089010808261515	-4.326356609253899	-4.235959763826966	-2.8807022532219895	-3.4283789209420528	-2.9619899801144327
125.036	Thymine [-H(+)]	cpd:C00178													0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-6.929716177408342	-6.811619167167357	-7.134904288395845	-7.253757562543214	-7.374141740560313	-7.637633273705978	-7.724944302604054	-7.717797912595265	-7.962464993197673	-7.640922638223215	-7.839691242570794	-7.478531821448561	-7.977721050489389	-7.592496061967315	-8.013863023010858	-7.709115738931272	-7.654329357497987	-7.537849546425696	-7.318140844446766	-7.477120327703717	-7.407318347428333	-7.427789749463021	-7.25415648146895	-7.515637845331605	-7.5233064200841175	-7.420541525055065	-7.326256718357722	-7.311372154940705	-7.636440267239791	-7.513337179903868	-7.361103088018594	-7.407928181302	-7.5468494849054215	-7.606011447148464	-7.549467323234199	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
130.087	L-Leucine [-H(+)]	cpd:C00123	L-Isoleucine [-H(+)]	cpd:C00407											-1.1806505353794607	-1.2812195094446848	-1.279235108242388	-1.2684311238894217	-1.2131389913779187	-1.244578634460234	-1.1652759870855822	-1.2490055950893488	-1.2017984911645583	-1.188509514669886	-1.089613400943689	-1.154525053881766	-1.4153037465982807	-1.352003942007791	-1.3997397093247714	-1.3059209911275833	-1.3962177826374567	-1.2293169405001645	-1.3688736612506844	-1.306537386652347	-1.1712680243339813	-1.3008614088195076	-1.3823994501482784	-1.3966638033198178	-1.400166912684195	-1.3536418471741407	-1.390562200232664	-1.2429824755719447	-1.2269051888723406	-1.2022637455260823	-1.2571044063358736	-1.1563834455032804	-1.2888420552314837	-1.1863391383089115	-1.0666680764249181	-1.0959673402317736	-1.1715205276459841	-1.247412688599124	-1.1998278758657681	-1.140199786679884	-1.123096743538221	-1.2696628222579682	-1.2414948086647053	-1.251879526008066	-1.282287985321911	-1.1886426408584558	-1.2414956751890076	-1.2824791142790384	-1.3191768640810786	-1.1981554829445134	-1.1396927183158827	-1.0819987023541588	-1.1507344759041196	-1.1028196400828159	-1.088546647593421	-1.080740735497796	-1.0638135439205154	-1.0437951359173852	-1.1021482012817867	-1.1426175841697452	-1.1458138270653582	-1.1126944277336488	-1.0371335437282736	-0.9697254305709435	-0.9930280613967128	-0.943401629220806	-1.059197528178461	-1.0496238033162966	-0.9266493577711434	-1.0043211483159822	-0.9991696623401325	-1.1097090276713508	-1.0845958404225933	-1.1023472174839344	-1.0737774168275733	-1.101288444191377	-1.0867022782777356	-1.0637407748811947	-1.0880888919358107	-1.1078637503856699	-1.0799357320745515	-1.097906315923477	-1.1118600837895694	-1.076304723042365	-1.0866784956934545	-1.0538574286584044	-1.0547362552801407	-1.0504995709091551	-1.1051101371822134	-1.0785173190971438	-1.0668226407543822	-0.9997945673753954	-1.118235315233718	-1.0267555194983717	-1.0914910877284885	-1.1528639535393839	-1.1083238989764608	-1.1284863488284702	-1.0833867847973095	-1.1021819474650625	-1.082213183940971	-1.1258093239920368	-1.0821740883636453	-1.1318940741416181	-1.1146013488139732	-1.0972530247836834	-1.1635598326665877	-1.1097087245370365	-1.1054494056951085	-1.0864161607736667	-1.0603369835654795	-0.9931075592776812	-1.106474842137946	-1.1429341801349926	-1.0396880015357728	-1.0570145595649676	-1.0671733713947	-1.128546301956463	-0.9669451411899553	-1.0817951389910268	-1.057623384111836	-1.0544322560536918	-1.0436183873460525	-1.071321453899832	-1.0079388630405464	-1.0402282923526383	-0.9795705783309128	-1.0120816979421532	-0.9795215584265329
131.045	L-Asparagine [-H(+)]	cpd:C00152													-6.771276106930326	-6.668079082342561	-6.097052896518225	-6.488663505679588	-6.05800779277462	-6.095006624220879	-6.48403543686496	-6.572628467045051	-6.742489958754752	-6.289540751568737	-7.617872475651091	-6.587731997449492	-6.064747519590893	-6.177137861097237	-6.241319011799506	-6.179191785583591	-6.195308808475924	-6.258476819205717	-6.398755188986332	-6.37539708764846	-6.4943742807815585	-6.56013792113401	-5.970747029333885	-6.047313274261109	-6.09899716995686	-6.124983692826303	-6.057780632917133	-5.801334047818446	-5.498884196250582	-5.634035960395309	-5.503138119502367	-5.58168868414711	-5.622274811662599	-5.4349891096144916	-5.449539776846167	-5.491874784302482	-5.503123457748973	-5.325022878568916	-5.626048186515618	-5.404625709066706	-5.418160806786073	-5.625552554125688	-5.38544897701553	-5.185555948667677	-5.489247402050283	-5.530612358598829	-5.564520901515268	-5.504209330561569	-5.39368392882924	-5.355717816363172	-5.435589576828817	-5.403230489473934	-5.410561345214917	-4.407367726821592	-4.046607338868243	-4.551519310424972	-5.824071936091955	-6.113277223902527	-5.905491490722549	-6.458228023877502	-6.650782232310161	-6.659825531542963	-6.495253308467839	-6.508622824926725	-6.627288490736946	-6.8348637411959805	-6.6217173543224295	-6.571362970745314	-6.565098510083259	-6.4205912913557555	-6.434689951985745	-6.2601060067277015	-6.396312378292815	-6.210460024301047	-6.353145764015062	-6.546650711726503	-6.363375941361079	-6.2205577189417385	-6.4219704090201075	-6.204726821191218	-6.394029164590402	-6.135972154360814	-6.218580980792395	-6.410694002754519	-6.332608123029117	-6.237996649027993	-6.195602703101266	-6.304214088670433	-6.3906145103657535	-6.548828001556271	-6.416607893794521	-6.477175566289205	-6.392524672177771	-6.533081012148071	-6.573510953879889	-6.566705633648321	-6.593341191188934	-6.729773967362593	-6.540574457735067	-6.4202019707673115	-6.541501074007045	-6.728174654769749	-6.336300458089194	-6.619042138216268	-6.442335830875981	-6.533657896682319	-6.529939995104447	-6.579034803632068	-6.566853300275849	-6.563122471465361	-6.628235282334482	-6.607127391764086	-6.429702292260122	-6.122454723093325	-6.524759722681446	-6.544283254896467	-6.538210594294297	-6.61878178767967	-6.894166727177175	-6.636731646617932	-6.494458977771148	-6.668020918928083	-6.429074598860577	-6.3101565797462325	-6.8479601770317755	-6.7112004815256325	-6.674191290212723	-6.643428570340542	-6.5404032712111535
131.082	L-Ornithine [-H(+)]	cpd:C00077													-1.8867009901392124	-1.7228409037121653	-1.7290232334213604	-1.664054806956769	-1.4705266117376523	-1.578266995438943	-1.4691279229173053	-1.3054028098738992	-1.7790068552828124	-1.5973604123849128	-2.808772981895245	-1.8089481886785197	-2.7086808610386846	-2.454728097701069	-2.6313241917231096	-2.687136763844573	-2.1816776186979507	-2.324909058006802	-2.63876847240923	-2.4067538955724963	-2.6100841768871317	-2.908991266107881	-2.572720950207465	-2.6318811684532326	-2.358542996283484	-2.5386912218268534	-2.75009555053556	-3.318592916853287	-3.2758154159055075	-3.1294974407594838	-2.848435294347028	-3.127262536427595	-3.2455933495784977	-3.1533923877425507	-3.0428318343182936	-3.2442372906595427	-3.301492035252813	-3.485592842995506	-3.209435291541619	-3.1474965858383563	-3.068464727719185	-3.660312844634559	-3.296417956044699	-3.7143340810749845	-3.1109291179254774	-3.1469027306313504	-3.489072798956979	-3.3823246274175376	-3.4969761541563225	-3.3435031623546014	-3.3389085229310704	-3.0803403757892562	-3.3769056216473103	-4.126922117566612	-4.061350365988041	-4.2214480378551515	-4.190335868399944	-4.22659002745676	-4.213682920720173	-4.247467839429349	-4.334142186862249	-4.386698006832589	-4.40765678376808	-4.52134367883566	-4.5018625769542835	-4.601410935120222	-4.455196942164945	-4.430655840015067	-4.457774508899496	-4.267537842769498	-4.265848455993998	-4.010434708871911	-4.078962386847706	-4.0702439091428495	-4.215574809546984	-4.031438315307026	-4.263850095966585	-4.288234467683905	-4.169560731660391	-4.1235952662649495	-4.134758142353635	-4.199396750074397	-4.273636734472867	-4.21476788680338	-4.111851867084965	-4.253909637320923	-4.240609746408814	-4.1993225540271215	-2.403208603707861	-2.256907761896476	-2.2283872275929775	-2.7860370732271686	-2.349203616253384	-2.5092485443231896	-2.7715474762074637	-2.5852348421878406	-2.5433987302493186	-2.3988811675597135	-2.619075793368969	-2.4686848561553614	-2.986824464994304	-2.851618324136927	-2.6284548810285204	-2.836266794869113	-2.884772628694231	-2.473180101216552	-2.5274068724358014	-2.6980344589754597	-2.7465692616611928	-2.830953370418541	-2.9869286412526512	-3.077750696486421	-2.7739338219848086	-2.7677493034302105	-2.4742696328987313	-2.7992917631299044	-2.500089910604244	-2.5397778341632264	-3.0176099643786447	-2.7939990897659106	-2.87617787996125	-2.8264213402584857	-2.531874534463201	-2.775965358639926	-3.2481677744510558	-2.6849334399685545	-3.683361139340292	-3.3900192545181183	-3.7667564108716647
132.03	L-Aspartate [-H(+)]	cpd:C00049													-3.608945566598533	-3.519566007200789	-3.545915759081842	-4.105844594643145	-4.2931294441793755	-4.371166698280271	-3.668035401285038	-4.228928426955814	-3.7601382949779674	-4.2139826548123	-3.7592688655757245	-4.328004336796011	-3.943707104595032	-4.487508120164229	-3.832980120313006	-4.187413725647223	-4.528498630706265	-4.303137884993722	-3.6148382580638327	-4.289205532474739	-4.1895535275338736	-3.8459643783722184	-4.586633438533518	-4.3855827006807075	-4.82913955426306	-4.7819637572551335	-4.321582394230506	-3.851224574603898	-3.675430980155066	-3.9548401070023793	-4.4109498134811345	-4.035137249374263	-3.96177380991079	-3.905317683558803	-4.3567406427654936	-4.18574597669429	-4.028691104239362	-3.83033981217172	-4.281975817579144	-4.202973888234228	-4.482960613016198	-3.4269105669455038	-3.395290969716946	-3.2435487368790517	-4.1978003370536525	-3.70458432666986	-3.8117341585155624	-3.7579202490709593	-3.320430586392893	-4.100110962905188	-3.7680700798641866	-4.459087333854869	-4.058145920909675	-4.693905046577889	-4.630248958550608	-4.626841229171839	-4.8194059679816394	-4.798956306033729	-4.766263602939511	-4.639590424193694	-4.608946945039149	-4.556644640660579	-4.748700658555115	-4.855507745363519	-4.805320825424667	-5.152786668995759	-4.765597932027106	-4.6120444609583355	-5.170079976743796	-4.73475288899421	-4.761205669672527	-4.492378429028869	-4.438655882353041	-4.540707824851207	-4.540917809244486	-4.452264606316717	-4.530322442510415	-4.617622725713531	-4.457141822318891	-4.570686265007234	-4.700663305509323	-4.6004148684371975	-4.422861533273455	-4.511805212133987	-4.427771081212425	-4.746629576075102	-4.732344359798294	-4.73177916124166	-5.867752855075257	-6.12494733505665	-5.943055251648678	-5.7095758465246575	-5.116980060270196	-5.807337014343727	-5.343571065191185	-5.466375248190383	-5.623775559106079	-5.519093648686404	-5.405785898358035	-5.357147566354914	-5.568886620775827	-5.4621357483227975	-5.490194266898802	-5.289839593797176	-5.372840465651947	-5.382332723903446	-5.330632465911166	-5.378240141007109	-5.11582888750719	-5.457614162678432	-5.342748571019373	-5.838373765802905	-5.449371888514525	-4.855897372109203	-5.9371592109742695	-5.548171153172368	-5.64747627343143	-5.729310268804122	-5.6611467961455215	-5.61870702014359	-5.801262379992954	-5.681298244262658	-5.665300831837826	-5.3011889119673805	-5.5685578104919955	-5.7278073119592205	-6.285518998397038	-5.883498763205577	-6.055264935705757
134.029	L-Homocysteine [-H(+)]	cpd:C00155													-8.961549053825028	-8.974237286941115	-9.007378893026438	-8.964882486077542	-9.21516011799635	-9.496823873898636	-9.901879918603836	-9.796042067387617	-8.301151531739283	-8.710193601477172	-8.801400734794441	-9.417081677487827	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.402771268106946	-7.034811068989688	-7.251025302807002	-7.812599709001192	-7.199641456237363	-7.362794573342688	-6.781766273930566	-6.74206421371838	-6.997780890164989	-7.031551728740668	-7.287449241602783	-7.161556413121662	-7.03096868573755	-7.467476719317695	-6.7099294039461	-6.62814893071031	-6.4861804755544865	-7.3891509383771705	-6.734597388633501	-6.895349190012026	-7.086950261410617	-7.135466134908829	-7.160758669823338	-6.831017723583005	-6.832102201797845	-7.055283537248632	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
134.047	Adenine [-H(+)]	cpd:C00147													-3.1661525280997562	-3.004108179322455	-2.942643315240439	-3.054533699552048	-3.041479498592142	-3.0912673815571297	-2.76725428687559	-3.184135366375972	-2.7740258076403936	-2.9666464351878576	-2.691907936821446	-3.085728572927585	-3.1540952070261445	-3.21081038828314	-3.1100255909558974	-3.136631665596102	-3.206126266007037	-3.132327491872951	-2.894855209245803	-3.0079332482556085	-3.145427225261444	-2.7605910500867075	-3.243166034106897	-3.211266473997529	-3.326018440686082	-3.2880532968181524	-3.250773644024391	-3.909455266445631	-3.9550280001086655	-3.984114218109723	-4.12114114812419	-4.037053953028293	-4.173898980311827	-3.807367773349123	-3.883618188809366	-4.073795112210046	-4.11756777495967	-4.414679328037424	-4.136913222819566	-3.8618904822221607	-4.109984948289682	-3.7496612233496607	-3.7123545424862807	-3.6365891399198222	-4.0074619366666715	-3.7542286211125537	-3.9773224271625516	-3.9253029164676914	-4.0447002119248	-4.030728989395436	-3.979453601725358	-3.759504100867028	-4.0224907387006965	-4.04703643098945	-4.056488000263482	-4.173538441520296	-3.9863009610225695	-3.999859441936038	-4.157246887867434	-3.9010661861282108	-3.879118697094399	-3.9774096962198366	-4.288044242687978	-4.368938603000647	-4.427790886826373	-6.297482134142849	-5.822523723991329	-5.914537746413215	-4.656310245684156	-4.205345072304518	-4.195866622948854	-4.0578801620750475	-3.947249546689558	-3.940260464180753	-4.023211831213496	-3.8586834116964037	-4.090416271944271	-4.0197719920838235	-4.0148330882041225	-3.9957960095934926	-3.9543746717636066	-4.064081487311509	-3.9757947315700113	-4.004401119256717	-4.019165944017594	-3.967668212213377	-3.947836368220264	-3.955541178932971	-4.359909650050206	-4.343504296662978	-4.454043761579261	-4.182455860899284	-4.125288856459226	-4.1293344953707765	-3.9518027163243783	-3.9935492679736564	-4.1117412327985265	-4.022758218933574	-4.116304654139833	-4.086865514668359	-4.174970855787775	-4.16951984631206	-4.064575145953302	-4.2843686989005025	-4.15702104203761	-4.1749180562002195	-3.605719844975288	-3.883867581781327	-4.210767226728518	-4.126510039245305	-4.132203784112246	-4.213824948400212	-4.029909787837228	-3.967744106410592	-4.048698547233964	-4.1481084799280685	-4.200660437453085	-4.107200753055222	-4.055953478037992	-4.301876381258227	-4.334612708719936	-4.08438924876723	-4.174747595295192	-3.844512729441306	-3.9331593697879135	-3.9609583978124276	-4.0095526540977495	-4.040149927116873	-4.0055279508867025
134.061	L-Proline [+F(-)]	cpd:C00148													0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.730847668876077	-7.771321112000498	-7.722796571547797	-7.686653971321053	-7.786741714491822	-7.86231306536708	-7.945079818732406	-7.883423229315094	-7.916800241203303	-7.898616646066557	-8.0983149346237	-8.109410749489205	-8.853499376328331	-8.462004666160666	-8.554337457785048	-7.944378605401509	-7.440584084081545	-7.335280082431982	-7.818940518326519	-7.524721696909699	-7.76279818907194	-7.800466727536944	-7.698981099858072	-7.772109785633516	-7.812360789852065	-7.798626313915572	-7.755844238811321	-7.746741592701591	-7.721205095855621	-7.808735267587087	-7.796941306717585	-7.687648414438641	-7.7245202076864485	-7.845039736209624	-7.732616542406956	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
136.077	L-Valine [+F(-)]	cpd:C00183													0	0	0	0	0	0	0	0	0	0	0	0	-9.012568768511029	-9.127940990900754	-8.953914761974394	-9.004603908694055	-8.51577159288458	-8.62148741675023	-8.91964707288204	-8.656692904606123	-9.052974002290604	-8.716289237387349	-9.367106791775756	-9.333537284785187	-9.335465372794868	-9.084790994330335	-9.10769426285492	-9.127954126446406	-8.663698500327211	-8.827633837208786	-8.65221297182268	-8.627880692215598	-9.008587049908288	-8.703304254729618	-8.026495328678653	-8.219653550293945	-8.234794654783588	-8.443906995857226	-8.80203055495784	-8.596779324797629	-8.378368961144748	-8.97066031332114	-8.83356766222907	-7.8574637273782795	-8.848044705793592	-8.411119975797089	-8.403486686596631	-8.64123034408862	-8.953514652272736	-8.29010576587215	-8.485524119186918	-8.028668225700514	-8.313639104960831	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-8.271794404488922	-8.262280962013216	-7.894067233058274	-8.111299882738647	-8.0740061242831	-8.23513109659799	-8.465079183374757	-8.518195578122455	-8.406356686522827	-8.525799452509842	-8.228071317043893	-7.864017650771367	-8.223495352672275	-8.346035514766184	-8.081764257279323	-8.575109483821967	-8.156000887608984	-7.947200268615618	-8.93509681851666	-8.461463526034807	-8.236359808289011	-8.317178523344404	-8.120913182149371	-8.388103486840443	-8.644841158910367	-7.968742355466737	-8.25355802336934	-8.27447892904615	-8.25974706161635	-8.624654753672182	-8.349309758856618	-8.759209467916342	-8.328854370590529	-8.440064135980448	-8.04824431533556	-7.7712508490945185	-8.353789459707878	-8.495218678944916	-7.740286889379535	-7.9392463224548475	-7.4895294168749516
138.056	L-Threonine [+F(-)]	cpd:C00188													0	0	0	0	0	0	0	0	0	0	0	0	-7.172627562000828	-7.235840089886569	-7.049202501508347	-7.040766216107846	-6.870142346217183	-6.862590340394543	-7.124203546983502	-6.9460479485802775	-7.063578815246444	-7.082107799319269	-7.8054015903986205	-7.762777358433546	-7.667575909751621	-7.338947420538497	-7.199621424301262	-6.698526636548895	-6.207116942082611	-6.5491634457799215	-6.566533419583413	-6.342081070930786	-6.722181348218473	-6.2528097892559	-5.825963560779261	-5.967007974854304	-5.974221735962221	-6.10323494191796	-6.477450606721068	-6.264651392582143	-6.031523640679873	-6.534137489262748	-6.285924203500409	-5.719386145298713	-6.590913555300617	-6.097619325997543	-6.094888672674512	-6.473667531572858	-6.406935786105501	-6.050754599173637	-6.202200001171468	-5.774689030138092	-6.092139349668698	-8.748273411543996	-9.001872861595125	-8.82805995268566	-8.859662335798483	-8.630355773512411	-8.854376311362342	-8.919642588917728	-9.114256125425605	-9.20638603878657	-8.847119060754705	-9.056216285400986	-8.90556586355609	-9.486199325492246	-8.996828764330905	-9.225265302693032	-8.932119876433115	-8.910407658549234	-8.874456050438322	-8.788958556924873	-8.738681435146507	-8.77113032004023	-8.945160824321983	-8.432841652177773	-8.957505898690217	-8.885106294217046	-8.711301289570603	-8.746218769799576	-8.844118862342338	-8.919815594611089	-8.641101062235828	-8.914660680611263	-8.761157879022715	-8.821380179961345	-9.071224528196796	-8.639300706820633	-5.630761015987794	-5.747223002371637	-5.35705244136831	-5.5792404406478555	-5.683557412677027	-5.762583862682749	-5.854835811824627	-5.884723844922267	-6.059433773607646	-5.982755619996932	-5.555737640037473	-5.3453259202335515	-5.649352912836082	-5.693356653218544	-5.534116410426661	-5.897431485889712	-5.513655084597005	-5.379058764721907	-6.321372932121428	-5.938954989933378	-5.517338269685335	-5.6697434815543915	-5.619552585163038	-5.864773594179017	-5.839962037704121	-5.373265002542692	-5.854349725098187	-5.7279363889221155	-5.694242290217212	-6.15235502542338	-5.717081350525633	-6.1257404206215025	-5.842817661429762	-5.835679134177774	-5.6132778768323295	-5.164687146265555	-6.028813380395683	-6.124505064824362	-4.9314876621808645	-5.242542720309553	-4.875328236121928
138.98	Acetyl phosphate [-H(+)]	cpd:C00227													-8.773506888473962	-9.22104376370869	-9.54083218802264	-9.166088453471168	-9.587171481027534	-8.826387096044597	-8.827581520972034	-9.180618289555659	-8.855557738307379	-9.335433849558987	-9.000349330766305	-9.523275762358477	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
139.975	Carbamoyl phosphate [-H(+)]	cpd:C00169													0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-9.36921312097078	-9.220756297033358	-9.276919395401597	-9.85533094314465	-9.301918297321016	-9.246900775570724	-8.753161041907925	-9.314825691704872	-8.825655157867835	-9.232112483855074	-9.051736102844124	-9.09315947641216	-9.108806655626367	-9.462341293472555	-8.863241977502893	-8.930595326364662	-8.679449890210666	-9.103249427068405	-8.48625377764811	-8.897996644226259	-8.973612978700778	-8.967984989068034	-9.181748695963542	-9.161296343824043	-8.484552129458136	-9.287519814006357	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-9.188790713651995	-9.232043621340472	-8.995069815465254	-9.176205058585484	-9.023713590891063	-9.836209930821303	-9.355066173853317	-9.246689667777874	-9.751632111774432	-9.034918212204996	-9.137308387220324	-9.309422284808845	-8.858502857480245	-9.232463200601957	-9.478060640099681	-9.347896843419674	-9.075156380695537	-9.091824842205748	-9.165555115521057	-9.295205543341128	-8.878254873350683	-9.313599805314436	-9.059880678023713	-9.70592789325797	-9.114857256153316	-8.809163601623073	-9.461585754649937	-9.342055479499495	-9.506149255606728	-9.720274921964425	-9.087167265681778	-9.481171221820432	-9.459399616890451	-9.548300451190473	-9.385334067984717	-8.740208804598614	-9.219735748859106	-9.437803755979813	-7.880400322383617	-8.025596305578413	-8.213745125495606
145.041	Thymine [+F(-)]	cpd:C00178													0	0	0	0	0	0	0	0	0	0	0	0	-7.665687569160556	-7.901197459829022	-7.694529670332434	-7.501787133071003	-7.525173931543229	-7.597484480970365	-7.594387420540606	-7.018866823501744	-7.55609077570095	-7.546082170726865	-8.486654551244476	-8.405860946796336	-8.140330194346097	-8.016656559205748	-7.8036161940567945	-7.1848588541648875	-6.78912158349311	-6.944438307904105	-6.842616334972269	-6.786643699945306	-7.154466018579005	-6.7732900516859615	-6.527093369883677	-6.470714832449132	-6.586806854638278	-6.651372505716856	-7.055628072873039	-6.688907242876134	-6.70026597419992	-6.995920035920614	-6.759308282791778	-6.425403148286519	-6.970359291220344	-6.7578547668282365	-6.757477713388187	-6.943242280670669	-6.830717749315492	-6.696243285110139	-6.656998649468909	-6.402717012240406	-6.6853813233634405	-8.573190675689467	-8.509330466274118	-8.680524764537697	-9.015277045251757	-8.62546448823757	-8.829829341348574	-8.776929600632227	-8.965173868759427	-9.027077243672599	-9.06729750641684	-9.368800816518759	-9.130418030393525	-9.804516237942043	-9.303559690045525	-9.520855963613007	-9.37224903291658	-9.247377489562515	-9.146144086951475	-8.951524649675997	-9.007969304973658	-8.848447976636503	-8.761666987040199	-8.498690156425784	-8.869156927240658	-9.118867017837527	-8.48356825614892	-8.779074459398984	-8.720930258597294	-9.041039285423683	-8.607481495440908	-8.824819591291124	-8.907763521597694	-9.024340298670879	-9.05690933896649	-8.755648640334337	-6.666183159674138	-6.688339521357853	-6.312561940987546	-6.416246608917187	-6.509529087094549	-6.5724402592406195	-6.765496497144273	-6.8611941670448	-6.911863561864317	-7.101087892001513	-6.53777093914605	-6.343949713740717	-6.743416768491052	-6.712778776250445	-6.463872419562516	-6.8253863460867095	-6.417089649807867	-6.373216193982767	-7.768990820314577	-6.919110225531496	-6.481756674115893	-6.5714990468860375	-6.601441773578808	-6.694547289772557	-6.829148221914605	-6.3116591222973915	-6.836951589431027	-6.611928149283503	-6.667667231773954	-7.076306201116551	-6.6742445657366405	-7.309827223442242	-6.751125709592973	-6.709083846972451	-6.587215308968115	-6.138029049689729	-6.983514342560817	-7.0223425532943216	-5.896827956089623	-6.280803808530221	-5.9102932795564085
145.062	L-Glutamine [-H(+)]	cpd:C00064													-4.948961777884344	-4.847149341745947	-4.980924685087657	-4.640481845276485	-4.417701440292476	-4.5082439318052945	-4.403855203008117	-4.481793076523166	-4.713776276877466	-4.651553347352335	-5.191559507530576	-4.502007481307818	-4.600950562056207	-4.577590814493645	-4.8085744207753365	-4.7804473947110475	-4.621616731529817	-4.796233118241412	-4.841418364150362	-4.726654173398744	-4.936982264711458	-4.923925496459904	-4.631902851790754	-4.551030069712165	-4.673254091595619	-4.715553556072657	-4.687060355145645	-4.617540601900975	-4.248260604640789	-3.963018768371802	-3.832416802598344	-4.103085874917335	-4.278765257152788	-4.627580505906838	-4.355917083529944	-4.453186685634416	-4.144363339969008	-4.203840512519032	-4.42299779496995	-4.036935427968679	-3.8011184990265408	-4.799666377912187	-4.0288112900209265	-4.735234874293598	-4.077415036551547	-4.824010954183024	-4.598220210266868	-4.239311517006444	-4.297999795666377	-4.094094420974525	-4.131360161119782	-4.445814513160602	-4.039195880739406	-3.5175525249490134	-3.4303723638989623	-3.5010113089084185	-4.235958464345732	-4.446417534613531	-4.154021987909446	-4.941928369457879	-5.026167452644014	-5.033803606295825	-4.782834354237809	-4.825926820434088	-5.136156028238438	-4.969230830116455	-4.7025998419383965	-4.455676201902179	-4.943677220303303	-4.701905035377898	-4.702866321794309	-4.556682919701513	-4.752868053902295	-4.547555118860284	-4.757792711099552	-4.929733717467946	-4.629725110859147	-4.520155393829028	-4.875762276126271	-4.500910044069592	-4.687118731249687	-4.320084558922952	-4.44135750836962	-4.529756662300952	-4.65144669710086	-4.4558716704679	-4.530465668900741	-4.627678048611306	-5.0645166646561774	-5.091059629920554	-5.232017148476843	-4.742591376965146	-4.624830332966366	-4.692718994003804	-4.785955604263631	-5.151936248142207	-5.126495239328572	-5.264733181218607	-4.9696702138555455	-5.09148352736634	-4.850335570413089	-5.56670892558046	-4.5966166919343365	-5.467848448751096	-4.859293049690957	-5.504749510773258	-4.412172679288447	-4.683768377609561	-5.370883148995833	-5.1256532225835025	-4.73627110146819	-4.862647429613827	-4.637531302822635	-4.608176789528987	-4.648688742094255	-4.699950521347714	-4.762622972360471	-4.807887554508472	-5.272375863724509	-4.718006778347939	-4.67284080339231	-5.25011402062646	-4.735665576804068	-4.89933670360349	-4.990385289886219	-4.730858715672421	-6.09760504457732	-5.553806810943498	-5.752104316950778
145.098	L-Lysine [-H(+)]	cpd:C00047													-0.25562962786385784	-0.31370323721148347	-0.05972729275894506	-0.24965426611825584	0.07121485941176305	-0.28341419122047795	-0.1376103793979101	0.08689501265025903	-0.46694157105139544	-0.01702435045341061	-1.806498973619741	-0.3019546756091693	-1.03878843806814	-0.7379165420361176	-1.1296014074895855	-0.9229171285932773	-0.6999869520916205	-0.7006603384864877	-1.0805364615668902	-0.8820617412822459	-0.7961886089239895	-1.4030284154307207	-0.9326396843118142	-1.2766831654631432	-0.8831958285590176	-0.8784479075116479	-1.2003385701978029	-1.832347239726063	-1.82841220845036	-1.5881972733739336	-0.846087057712325	-1.686639370070201	-1.6135571908908242	-1.749748624788548	-1.777645238644889	-1.9751764023230711	-1.9977802985976214	-2.0739457243471837	-1.725217195577433	-1.7329306371355635	-1.5669948885891596	-2.2361920787677487	-1.8891527299432447	-2.528968627549036	-1.3492753639623465	-1.8032306200771397	-2.0880705702603537	-1.863068130611207	-2.063272205166792	-1.8479319076571903	-1.9556141069230284	-1.7653033526945987	-2.002881298144739	-3.256275662806536	-3.167716593437262	-3.1574636395214584	-3.1841530074561906	-3.222342419863287	-3.156746161096349	-3.248962903589026	-3.3227265445879537	-3.325219360630297	-3.344568261012594	-3.4965141587556996	-3.3989275998663824	-3.2437410072554447	-3.289937040393372	-3.290392902000267	-3.2014283452080576	-3.3589566927669297	-3.332210557227064	-3.3373886137778395	-3.291646511235379	-3.217138333108748	-3.269322769842382	-3.3974713967940438	-3.263251816884492	-3.254815618037835	-3.2647956291828546	-3.1748840036840638	-3.245207089748961	-3.2090371896780536	-3.314855011970595	-3.2600213703928707	-3.218109798184134	-3.2791598019925003	-3.295532056869427	-3.2586375542235237	-1.4290088626979311	-1.1680192174282504	-1.299211648813338	-1.82914572370592	-1.316648158063453	-1.476327334331308	-1.8180820747058304	-1.5362436344624042	-1.4543438309027918	-1.3098793733678995	-1.6221247972576673	-1.57300477183568	-2.0650887506403937	-1.9265032294971132	-1.6551040299205706	-1.9138963253666017	-1.925284506735842	-1.4756145763399597	-1.3542506813559287	-1.6308039828852572	-1.7859143685483638	-1.9653234578461014	-2.0002644762965573	-2.1116435901531094	-1.6851229333087356	-1.8711694022460927	-1.4858293970008056	-1.8417444858665546	-1.4968019901290903	-1.4411769383192379	-1.948875923832501	-1.7424279266604474	-1.864607033512319	-1.9348616245025234	-1.5808033802431138	-1.8249317398510572	-2.1901083538436454	-1.6494399457029587	-3.1853775271864118	-2.595265900157946	-3.1883571595190703
146.046	L-Glutamate [-H(+)]	cpd:C00025													-2.5114699624671846	-2.4609032193701488	-2.451864244311235	-2.8780919006493524	-3.0055697919211632	-3.175622306497952	-2.5891611886899932	-3.0166279414899093	-2.709247610552021	-2.92225302993093	-2.6118322337442286	-2.8876177729290426	-2.7321772060811536	-2.9738991922909	-2.650733826538262	-2.747066269875594	-3.0682976656527314	-2.814040399038822	-2.223473109348835	-2.7829780283002754	-2.674557112756252	-2.3417255835236723	-3.191342369272506	-2.8915678510033387	-3.234163746163276	-3.1702238659916664	-2.880217521346809	-2.7591680488566204	-2.6356383995986756	-2.828052827834573	-3.0688454473578037	-2.93021178606635	-2.7312658812189063	-2.8154261023606746	-3.1891906467152666	-3.122205364139395	-2.883371624674124	-2.6734215545256275	-3.1279080588284356	-3.0966215124591865	-3.2423613739846133	-2.4210324989156025	-2.479081184227169	-2.255907668867008	-2.9977485866885503	-2.7433331438337887	-2.73521706284251	-2.711239195151765	-2.300375276683895	-3.0011357297606325	-2.770825559746899	-3.361613003915736	-2.964815141342074	-3.1765026153287117	-3.1501003542840023	-3.1421806425700556	-3.194909539510804	-3.312963392204429	-3.251489711439047	-3.273836530363129	-3.234144216347075	-3.0996918744410276	-3.369330737242971	-3.390084678382515	-3.399994687300771	-3.4662287597236294	-3.2527250615155148	-3.0868722905619403	-3.591447401671419	-3.2653791311002407	-3.298671844175553	-3.0550710177196168	-3.008632875968093	-3.178542570994062	-3.158505466682885	-2.9796517497200883	-3.0531699490860524	-3.138061186800026	-3.0479406756172103	-3.241741711871491	-3.1982021794531414	-3.204895100502268	-3.0034237034532243	-3.037523576602391	-3.014021853439395	-3.2390945193677023	-3.2879023257771296	-3.268130038583322	-4.1447647164075585	-4.396382835832383	-4.340845339240838	-4.301632408971202	-4.098217474311604	-4.279923398848723	-3.886842913708714	-3.90512867294381	-3.972333456617353	-4.048944234066859	-4.017406236627535	-3.9403984166265027	-4.177725823081826	-3.9777910346161627	-4.022082014637953	-3.8127770671235686	-3.9273853398742555	-3.916351219896569	-3.8004575949031576	-3.9533103786946495	-3.7844789579901876	-4.046463480045491	-4.026051710566279	-4.333290536600581	-4.008434861023264	-3.5867725548962275	-4.295518143808717	-4.14024531256624	-4.225206356449914	-4.086927375943441	-4.760320367260482	-4.111057913255857	-4.287363260635998	-4.1751232759321475	-4.131698566294261	-3.9896246230651204	-4.121016321657628	-4.1646249603947805	-4.791284570049536	-4.442902871862904	-4.679259381298737
148.043	L-Methionine [-H(+)]	cpd:C00073													-6.244434427816706	-6.281678081310286	-6.352190393102158	-6.235491383842206	-6.1768164208178975	-6.288836828684495	-6.161217870899256	-6.183800019302208	-6.199287144726377	-6.0899443072327015	-6.388225387432599	-6.037613189259591	-5.637369405999328	-5.861102888590435	-5.7732947248165996	-5.7915687978620385	-5.825281594051154	-5.787806176213495	-5.985743054192191	-5.8557398237341545	-5.987646891369638	-6.0583417868939105	-5.6503997801740224	-5.8024877754657025	-5.800889988895225	-5.785147581285915	-5.706125602369076	-5.405753801185007	-5.355454032032624	-5.3077090405332426	-5.400255693375699	-5.381816758537818	-5.318587540501793	-5.242595229452193	-5.360188191308611	-5.315116485346701	-5.216634566682884	-5.088811254649732	-5.358042941750918	-5.35911459589111	-5.377192572024015	-5.09037540459901	-5.069915042723054	-5.110039958407137	-5.1331790415983285	-5.213843478762068	-5.169751309815313	-5.111969966264674	-5.123790093673115	-5.1815001047459965	-5.334030255482917	-5.395983175974328	-5.279863046106173	-6.091548478030967	-5.972862162858215	-6.019372579822831	-5.966618127759527	-6.087461718308932	-5.894183589785667	-6.073889508017038	-6.133826154102352	-6.126123101677868	-6.348321530809142	-6.2487400544045615	-6.174317298860021	-5.9949386997572	-5.9028183145854	-5.8670354042851915	-7.270579232332779	-8.852501580304628	-8.746783225601435	-6.068288072407766	-6.098435371719261	-6.0349027985875	-6.077480359125739	-6.135192333432924	-6.026172418844086	-6.027687425748313	-6.076180390888873	-5.940317827667803	-6.08573424224559	-5.9793935418647886	-6.0756963397907455	-5.983791287578868	-6.044986511715321	-6.012527726439151	-6.055945102721372	-6.079215855619564	-5.517364475780883	-5.621721538355128	-5.347274731366545	-5.616214139798942	-5.639313326662345	-5.818272610726393	-5.6366541400220544	-5.58154492712758	-5.822633337256027	-5.645755411733563	-5.494597509025883	-5.294573283313012	-5.412782671093641	-5.311882960820824	-5.518902945438143	-5.44312706713869	-5.228468137481456	-5.370113708930746	-5.9409906113675115	-5.716832893388765	-5.283610334391812	-5.241323607024469	-5.477423995200064	-5.651513231054346	-5.505262316703503	-5.448775626543966	-5.806088689162854	-5.692428922185756	-5.641973466718633	-5.810722262455177	-5.410205266671958	-5.501322630039981	-5.600950267063731	-5.532173799669287	-5.582593889477296	-5.407531075958277	-5.988918710509322	-5.842108884371343	-5.4541328196274	-5.760780513062588	-5.550623731354916
149.046	D-Ribose [-H(+)]	cpd:C00121													-7.422381756081425	-7.441393894236687	-7.315758101090973	-7.383482183212703	-7.280031023338844	-7.371060156224972	-7.313058470218313	-7.517769544864675	-7.568452661551997	-7.914666052340675	-7.957794158464739	-7.790133906090847	-6.924653847067695	-7.454792190707764	-7.205690359406107	-7.051167520362532	-7.125077555758424	-7.243160855814089	-7.349996615005936	-7.479849061616797	-7.59149667120299	-7.340804244337226	-6.570489439963586	-6.95516686381732	-7.027675446736565	-7.042796906794834	-6.851197485961863	-5.301213218083726	-5.055970794026077	-5.264802692008765	-6.390955512382653	-5.51528250620028	-5.305578958300006	-4.7267554535760645	-5.144278055252577	-5.693955019873335	-5.364765829195816	-5.205093715151165	-5.329185523306542	-5.428106692007966	-6.097996212997996	-3.977718879361867	-4.348002453098256	-4.273661335177899	-5.700388766752854	-4.688273936088592	-4.871551799195709	-5.0769620428237605	-4.7824768677878815	-5.447881904798992	-4.739500539139515	-5.810368417050376	-5.375037989438553	-7.2005899299470695	-6.93806220130107	-7.044492301786935	-6.4647416429412585	-6.63488083886028	-6.785604730103316	-7.512826890252275	-7.6976878463115925	-7.77293428325127	-7.027925489066744	-6.8631246875251675	-6.986361165985584	-7.686362323762662	-7.393998159966578	-7.346210613021151	-7.451487695937572	-7.131774534190119	-7.0199109277939575	-6.543215199971258	-6.492573771465829	-6.816531898126328	-6.983526168843071	-6.636228276389383	-6.645980867960047	-6.60070255952067	-6.755139863710666	-6.755214434046495	-6.519762041925214	-6.777520957259481	-6.684312309465418	-6.603582764890755	-6.606356453433397	-6.503841424820461	-6.66546287381892	-6.7329983013399906	-4.160266100514416	-4.9966204446742495	-3.822187118223161	-4.8273200245889125	-5.36934592797974	-5.637526676329345	-4.693536369584939	-4.738624731555398	-5.838556396050705	-4.737392759853449	-4.194747110903428	-3.8363997675365447	-3.7109579017408945	-3.6427637240251878	-4.660531354825392	-3.7550794103248046	-3.6386613406334214	-3.5956595652035883	-5.838065158641893	-5.406145564094236	-3.2734713556251056	-3.590417513257339	-4.0764040747859465	-4.692717268680574	-4.548802400754143	-4.0396322599384105	-5.895104012502601	-5.245384060229855	-5.103188868085948	-6.03755431412816	-3.7226621574360723	-4.521593127543316	-4.820679003530312	-4.384741096899543	-4.4954865282204555	-4.361515185226034	-6.311003920460757	-6.198547797265429	-4.193860310717883	-5.128137802203818	-4.720089389335024
150.042	Guanine [-H(+)]	cpd:C00242													-8.448562322368538	-8.49384654935643	-7.99122721901317	-8.466018553331773	-8.550692979115462	-8.383549555360945	-8.495771543427276	-8.46180957467628	-8.86304813176061	-8.887712710548499	-9.209509839778379	-8.934261329026358	-8.701852271654927	-9.042623736057237	-8.700655256900559	-8.714417058492089	-8.728249993625507	-8.750891901482268	-8.924416911099234	-8.97794284961848	-9.054826219166168	-8.933558255730409	-8.142417360012114	-8.557582837336414	-8.522210671594307	-8.546257953878516	-8.52030842720427	-7.632265682433867	-7.719553450428625	-7.680441920430373	-7.746456481012158	-7.821199680143313	-7.616256399130886	-7.443598607008873	-7.635628631342526	-7.658576549278546	-7.6372894782636624	-7.714159769263478	-7.733420373037294	-7.807463759083606	-7.76131618411452	-7.247092180836966	-7.482242316772128	-7.346724687544095	-7.688543510151791	-7.47885143724681	-7.624331136838899	-7.5591178112016495	-7.413648009053039	-7.694573981666902	-7.6573539954484104	-7.599675917637177	-7.739444943037713	-9.037092735265045	-9.108426648555406	-8.89004057758125	-8.779364733432448	-8.847022758129247	-8.869775330882176	-9.217269798699744	-9.316839905333582	-9.130451481238328	-9.176509666441993	-8.944271284938525	-9.120949350713111	-9.035652890283187	-9.116935164149636	-9.002225032335437	-9.146942687222243	-9.413155788933397	-9.378832932291116	-8.762189069725926	-8.877565397461087	-8.947459973611108	-9.103388349658301	-8.885662987150404	-8.925658538485736	-8.72400035049117	-8.941722195266701	-8.873000369169034	-8.80328547314672	-8.890169646590769	-8.752626813772995	-8.843295991731921	-8.709507923998451	-8.732890169176464	-8.806055029077765	-9.094157660930678	-8.55864432007148	-8.657351977173473	-8.39774088850916	-8.651054887613503	-8.83739694671231	-8.734405507624867	-8.638123566871878	-8.63310298952558	-8.803706184675889	-8.497885798886488	-8.565771417599851	-8.42151775153223	-8.484787789883617	-8.645321574378409	-8.657034172949253	-8.670357098774657	-8.497389246519594	-8.626919940807289	-8.41775358649914	-8.8070971779174	-8.444438655201543	-8.6342341085938	-8.75866724659983	-8.691028953409761	-8.477828041242713	-8.37607321768172	-8.930323706233025	-8.665309101861205	-8.666510970010062	-8.81127310625429	-8.27467424894851	-8.60118027977373	-8.865951129082108	-8.497059115671322	-8.772853046119629	-8.46632207373927	-8.723390937902034	-8.812719993391037	-8.4065592995207	-8.683546635277843	-8.541168329933683
151.051	L-Asparagine [+F(-)]	cpd:C00152													0	0	0	0	0	0	0	0	0	0	0	0	-6.367868093273943	-6.297404289538427	-6.196630911227974	-6.228608885766551	-6.123891234373522	-6.01883552406606	-6.3600176545664056	-6.181751523413432	-6.218431038942537	-6.332718059461769	-6.9724213775109405	-6.90623777236435	-6.730963483579184	-6.578213970710368	-6.393574313814735	-6.242418791969653	-5.887962278961905	-6.076747995414476	-6.055196507100266	-5.8298582170860795	-6.19707747517048	-5.868997465094805	-5.274714882500175	-5.4732138049543	-5.459822786446656	-5.6796172406028775	-6.024020342655924	-5.882461330419279	-5.4914221496543565	-6.260411145181099	-6.047027241425618	-5.394374815491183	-6.102531600705488	-5.8112366534963025	-5.670194901953483	-6.018949082403093	-5.931022780757218	-5.630390506169941	-5.820265120817041	-5.402055259983797	-5.774126247350728	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-6.012789725478578	-5.783744178682226	-5.475820889000237	-5.790110283580579	-5.759201284760732	-5.803592367697204	-6.020469230405345	-6.056250646641581	-6.037359258822842	-6.115534660741453	-5.826063647011362	-5.550600889143623	-5.942990833327365	-5.971650142723378	-5.895973360304938	-6.098167920676846	-5.809786704301655	-5.772846750229812	-6.282737594303698	-6.274082530997562	-5.779817738424717	-5.91606974310379	-5.9809646665006495	-6.027613147853332	-6.031786560578779	-5.832504841854661	-5.9471008705466595	-5.854853462078775	-5.783487214136165	-6.202148557736602	-5.669226022777717	-6.19251197854142	-6.060698272435082	-5.860741576415638	-5.812298574664221	-5.491215327288639	-6.092356372043342	-6.21936277055059	-5.478175177334326	-5.817741462186039	-5.4295801597518025
151.087	L-Ornithine [+F(-)]	cpd:C00077													0	0	0	0	0	0	0	0	0	0	0	0	-4.071984145326746	-3.7859515131506063	-4.00598040348547	-3.8812693891642605	-3.8339780352057082	-3.9623452507016994	-4.1848304343097915	-3.8093570213934242	-4.193644553524105	-4.168111605696724	-4.737321636916911	-4.561911020641419	-4.284311724029696	-4.170278970332045	-4.1299035133299595	-4.839760721421594	-4.628513941557272	-4.728701568921871	-4.364811106272963	-4.4559096362437955	-4.763249596430738	-5.102171517165376	-4.113643089025146	-4.742111887499957	-4.3330127551469255	-4.239468108244823	-4.800384868800931	-4.510112373062105	-3.923669590236122	-5.281411817956173	-5.192806282605114	-4.551315559320634	-4.559780741735859	-4.899252189769437	-4.623394179643845	-4.601809046115956	-4.6445082452228394	-4.072146757699803	-4.716645898141517	-4.344689356915441	-4.457661664903964	-6.415732333431496	-6.173572043365841	-6.356772650594845	-6.157684762103947	-6.105994469978671	-6.497618923029475	-6.772876797405513	-7.0354571546702145	-6.824600956409049	-6.81068107710347	-7.05959025247865	-6.903756916488393	-7.448709167121447	-6.820413309055463	-7.24610870945786	-7.425668006355853	-6.783118901345537	-6.58017987622035	-6.199276329714004	-6.232238109617276	-6.197685997216586	-6.539288444386605	-6.175015880704715	-6.309860847041306	-6.213041610197615	-6.076258946547687	-6.300322425913473	-5.9054056384403575	-6.5032337660296395	-5.866449374921655	-6.199325775364309	-6.2268319069518645	-6.137192237627295	-6.1491566106196744	-6.284087218757698	-4.562523648262838	-3.995884958913964	-3.9266874721161202	-4.506786594078389	-3.9634284060214195	-4.455349103928415	-4.8016086861597485	-4.464837794255091	-4.336251208041892	-4.712227341429314	-4.519511153899778	-4.204389089523017	-4.893274891661224	-4.58879910659823	-4.6302952709587935	-4.99580920962783	-4.88627458340617	-4.564964592936026	-4.354279253544563	-5.088510303704199	-4.846414071475194	-5.177208653243758	-4.790893165114786	-5.2050085499934395	-4.640962836774615	-4.872708601659726	-4.45382142050137	-4.603792153953099	-4.410132821688926	-4.747018258707725	-4.194051658670373	-4.808428932413036	-4.875464569519568	-4.348632559470432	-4.658322868592081	-4.343015094404092	-5.041626516227613	-5.091126358256343	-4.904265326285675	-5.180619570935557	-5.152260244219426
152.036	L-Aspartate [+F(-)]	cpd:C00049													0	0	0	0	0	0	0	0	0	0	0	0	-8.170400953035559	-8.288355884244245	-8.263998537649064	-8.140093727242029	-8.12752593598654	-8.077864758630064	-8.34203222286598	-8.133438353585465	-8.479718181969268	-8.271847475184781	-8.164462932291364	-8.169469547566298	-8.28613481871709	-8.205607065395517	-8.150630044403371	-7.1025119087344635	-6.897087953670522	-6.962079862583902	-7.185322851517325	-6.90763041930566	-7.23605817157556	-6.472665551664769	-6.548826589823847	-6.76621925309249	-6.706923125277678	-6.840592378784891	-6.955273080263648	-6.763559246491818	-7.038804798732176	-6.677747509728317	-6.469940826005196	-6.338733723771744	-7.185375721769143	-6.532091397337108	-6.716666540757871	-6.863836222848904	-6.719618996467455	-6.846040639825921	-6.703929941707624	-6.510135780846328	-6.732189086624363	-7.886181327058313	-7.653970562576477	-7.940959662716161	-7.798188767858498	-7.748886329906573	-7.6330323743367865	-8.01111884784968	-8.12527651738539	-8.31575058179083	-7.677869896958434	-8.14027734909857	-7.9480567393879875	-8.915063291029373	-8.038789834593471	-8.08832820644349	-7.441169110419146	-7.00460534905761	-6.841255737430288	-7.633059440251064	-7.862020648581919	-7.702659071096162	-7.7874166301448655	-7.851937292138519	-7.7569088475811805	-7.765973664257741	-7.903709409126712	-7.6516812916755566	-7.670752712630202	-7.690488363061319	-7.757291604373361	-7.852782468673139	-7.703000711208789	-7.780993084072511	-7.7683047554538565	-7.829581863361337	-6.064207778489739	-6.42901244641595	-5.721659365873001	-6.236884829619084	-6.730845622552794	-6.688671518362504	-6.355388197144308	-6.375395833446397	-6.959073956822604	-6.4474769302594925	-5.970794118863199	-5.7143325771228906	-5.712461785241981	-5.657209788663629	-6.147965623039758	-5.803949575391811	-5.58667647127051	-5.564478396243841	-7.082399934156458	-6.656248357526212	-5.5251828855543685	-5.64826681625678	-5.948856008836867	-6.291642445780985	-6.184585608996426	-5.869461210410386	-6.803052390345723	-6.483534444135908	-6.511209252440549	-6.992846941800533	-5.906219309544097	-6.289878564998283	-6.3316419178896695	-6.167085637400126	-6.213172015316822	-5.858076002793243	-7.009265789877579	-6.96532047116533	-5.551424733371159	-6.174866404769911	-5.7940269987597155
154.033	L-Homocysteine [+F(-)]	cpd:C00155													0	0	0	0	0	0	0	0	0	0	0	0	-10.05527761606475	-10.934581987506503	-10.420773715930228	-9.558097186839701	-10.456454763914824	-10.25886199972217	-10.361941509558859	-10.288080832516927	-9.470010982871626	-10.643966204458	-10.448161553862299	-10.576330829293266	-10.793745389203965	-10.71574275825836	-10.391092034388631	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-10.247080164495179	-10.266991914986276	-9.945524273303707	-10.050022223581905	-9.703500826247852	-9.804285752636302	-10.156432570410344	-10.203289593408295	-10.38287509521091	-10.472623135953654	-9.904412580720155	-9.896537550269107	-9.859445850498165	-10.039429328828799	-10.051447155089171	-9.864353646335767	-9.864085155232873	-9.964155175652845	-10.060006206554444	-10.302983727723559	-9.611073731393454	-9.875657734525594	-9.805514825281623	-10.134152038627166	-9.805053991402243	-9.655780593869846	-10.145819104133388	-10.049875273962275	-10.133332779941664	-10.36874016056143	-9.566210528423563	-10.077913808301933	-10.06260183780276	-10.18020961694852	-10.166117976563084	-9.83148394887627	-10.333948609493339	-10.504938895832701	-9.939568970790392	-9.87400947882457	-9.904988383526494
154.052	Adenine [+F(-)]	cpd:C00147													0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-5.606965950354912	-5.41334088356569	-5.374104706194129	-5.4735392643492	-5.334066236660228	-5.466969602034115	-5.348962451810957	-5.292024117324732	-5.580149888864626	-5.293984637080009	-5.306033508819758	-5.479883065040792	-5.422381934908297	-5.395324423415729	-5.186767150264768	-5.026137750121532	-5.026546150231351	-5.370879593482432	-5.3339258073635385	-5.312223339205153	-5.388998432156161	-5.294385114980528	-5.343115323743103	-5.170873527427695	-5.442257076707233	-5.246488364411114	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-5.439334676806072	-5.901210364301758	-4.987371010968206	-5.728979971082337	-6.369318324946622	-6.504010164078046	-5.890952848671861	-5.878344953645435	-6.59260668555627	-5.9255499017994	-5.258265375101497	-4.906045521828979	-5.115281802426364	-4.979024007974711	-5.557940579655181	-5.115285863079853	-4.950074467245253	-4.907814460473651	-7.136392276825621	-6.277580521312666	-4.707941643714129	-4.7450682491252	-5.161504984855485	-5.421679624516433	-5.806373943112205	-5.436818000599683	-6.417338686429552	-6.021798787971956	-5.910650970913343	-6.866957899672786	-5.2933680182028855	-5.972118138813926	-5.930734002209391	-5.692227498800983	-5.585849489520963	-5.452536424300134	-6.494142456996185	-6.503566238293206	-5.287170515539421	-5.938035598887839	-5.448477715225711
154.058	L-Histidine [-H(+)]	cpd:C00135	Adenine [+F(-)]	cpd:C00147											-2.58563919655166	-2.628392735378357	-2.3720818206368777	-2.8858788259513273	-2.714876814324213	-3.144399428795354	-2.768497761214402	-2.769187128741602	-3.2126281208109555	-2.888110765003659	-4.379296090150913	-2.97333355751974	-2.8659436817392905	-2.99215543438167	-3.0083873101667393	-3.058479570637916	-3.0314173928195913	-3.0270529288670933	-2.9613861599954157	-2.9596266451402182	-3.166951387023943	-3.080927813227131	-2.705930180369434	-2.652158695283558	-2.7718811496211084	-2.8748979593748087	-2.8443706114389755	-3.4326032813408576	-3.4287917791990306	-3.1442733336585356	-3.0775737483404897	-3.234473685273745	-3.2686527730964574	-3.7332900639928863	-3.747288437213828	-3.8962847782002314	-3.5389801560300107	-3.441409412686844	-3.45553265828104	-3.402402942816696	-3.303569750925983	-3.6592616341199506	-3.2391609590799653	-3.6801383399540555	-3.0364617623635595	-3.750906501593737	-3.6087732322467314	-3.3246559370609363	-3.408876699570743	-3.3977687823451386	-3.485176470679272	-3.787388854092977	-3.5197218617994745	-4.614296156787196	-4.461331240185565	-4.47889304965173	-4.484292842098986	-4.577748054062963	-4.442305192131302	-4.641727298904711	-4.74053156454772	-4.727684544968378	-4.790395620822534	-4.724102795188558	-4.8733355676147285	-4.772897302045027	-4.636101676969194	-4.490399447790156	-4.74149800534293	-4.530232464738228	-4.515212975573488	-4.471727886294363	-4.611845740441112	-4.5706286740066	-4.609629707603568	-4.60068100746708	-4.5234647042954945	-4.529487968556335	-4.579512697219179	-4.557216722036279	-4.5725162325850235	-4.502189491207936	-4.599114609407688	-4.607593810710317	-4.57001965159414	-4.560729315436827	-4.558004146173015	-4.6338059346782465	-4.57278640047823	-4.627777045215785	-4.672091806228653	-4.6479588618808405	-4.601251359833588	-4.744887603366411	-4.561775918070735	-4.602274075535374	-4.634805715302922	-4.599955705976935	-4.644332078992296	-4.578794956324787	-4.562383379875549	-4.708136775353145	-4.449917382100044	-4.688652485113876	-4.5185891328992795	-4.658655834384768	-4.374451947603033	-4.431403462121737	-4.4512718861807485	-4.661593659111527	-4.60016163594711	-4.750938157126357	-4.461440375675893	-4.3296086039161334	-4.537686742274441	-4.560102228445806	-4.529244306622437	-4.622608751660983	-5.124601269975184	-4.47972898742661	-4.568665486449999	-4.711267452051678	-4.557931189949735	-4.54576505088442	-4.580939069696541	-4.504215588978839	-5.3781789083880875	-5.113456772184513	-5.194205490003469
159.977	Carbamoyl phosphate [+F(-)]	cpd:C00169													0	0	0	0	0	0	0	0	0	0	0	0	-10.045051413529277	-10.341768322972749	-10.149972278030022	-10.616043154713491	-10.509278349908973	-10.357124752171458	-10.358989614059253	-10.722493110675975	-11.08464984992159	-10.54017591844806	-9.693507784139733	-9.634162307818341	-10.143913753236259	-10.338221895856286	-9.749164388587305	-6.384036981695389	-8.010794607940374	-6.398074421923464	-8.054628272844662	-8.233800070922458	-6.708763934181293	-6.021099052611112	-8.230465754968892	-7.726972581062751	-8.278434656848903	-8.570296513959324	-6.658729981833398	-7.736100104511968	-8.137616477131782	-6.309907256392451	-6.206048660113994	-8.076934558931846	-6.447232200614187	-6.016243403404127	-8.172873050191107	-6.4121122384981115	-6.860313320649072	-8.478107862046782	-7.922351408379007	-8.001748062434578	-8.528796755005173	-8.618520529297438	-8.680676898886427	-8.985861969768916	-9.194362483143728	-9.086986588368484	-9.413213759347894	-9.056817589657335	-9.065904152070855	-8.983260914004159	-9.176878758484772	-9.400305691148908	-9.293269226107661	-9.652536534039818	-9.584353643577689	-9.794781353563158	-8.68112539190689	-8.373781859789785	-7.789988418177332	-8.659392308861626	-8.692169327150877	-8.88635412399423	-9.20534663629977	-8.427043319742364	-8.810204283655588	-9.410363924781382	-8.528553807341366	-9.076695978801766	-8.549075649919292	-9.28977319458013	-9.135601391210239	-9.243952983366231	-8.898148521467338	-9.140663147253028	-9.214894574936233	-8.891561699874314	-8.696713678133934	-8.829028199041334	-8.502722152879995	-8.424420248003305	-8.851120438472059	-8.749450764392344	-8.944496390717458	-8.976810461066163	-9.63478669557891	-8.956286160838427	-8.521713018350898	-8.708284764576806	-8.537955756040683	-8.690344810204136	-8.641618990847265	-9.007190689595731	-8.428113483186495	-8.618062968252056	-8.721309042332761	-8.76086000909906	-8.1120349675038	-8.744897673604994	-8.208367373036147	-8.868764653897506	-8.469370313719343	-7.862789490581545	-8.932648442084197	-8.722355842172213	-8.993684815988159	-9.314821434659482	-7.803657706273743	-9.145373750225737	-8.791158445825985	-9.171656448161658	-8.832424999022738	-8.053437468501441	-8.627605195404549	-8.978893744431797	-7.905774108959898	-8.07058270750192	-8.024100879786497
164.072	L-Phenylalanine [-H(+)]	cpd:C00079													-2.359434824192039	-2.238844969663467	-2.1875519077775736	-2.0597636149330416	-2.0384549569420334	-2.050610519806583	-2.2683208032071094	-2.0075620809375216	-2.3209780600790233	-2.2328090283248527	-2.5118957287530317	-2.0049538405181044	-2.0621033897534646	-1.9435839691674122	-2.014269080546492	-2.068637382706848	-1.9220294488389773	-2.1741952027171996	-2.16571704649421	-2.1198878607651093	-2.1307437435829493	-2.250609598936929	-1.889704560711314	-1.9746277584346523	-1.8652787132942228	-1.9415377531083169	-1.9742838020953164	-2.024269051444488	-2.1172602956484576	-2.005830030121164	-1.8445185978033738	-2.108646191738367	-1.909415257005514	-2.099150353011954	-2.2379865610056506	-2.26385084490604	-2.1379725390608506	-2.0576555265676615	-1.9630252159549433	-2.056690627645727	-2.012781317032973	-2.079581340571528	-2.146611883074328	-2.2378250832502316	-1.8953153275181567	-2.1598329837712957	-2.045116859011629	-1.9551717372581527	-1.9940326094247858	-1.9820525597964216	-2.16664548711383	-2.1527962844865844	-2.056920942843494	-2.075925980768779	-2.045252200632389	-2.027288380506974	-2.003159386256622	-1.9812493108993232	-1.9507454653797995	-2.057198519632516	-2.1059006810780048	-2.122467269956067	-2.140018104089428	-2.189816157902807	-2.274173160486262	-2.1701815920375136	-2.1633446881985234	-2.1564979987582475	-2.148392812344217	-2.049983151579366	-2.0635579263913963	-2.030883379870589	-2.0500584167814884	-2.0161675624374986	-2.0798037152629094	-2.134903506483234	-2.065490887093723	-2.0072000978288997	-2.094579577865873	-2.0052998527347414	-2.0388972086879447	-1.9842791765098207	-1.9952788989363432	-2.0626515673153536	-2.0650056978994504	-2.008605344657862	-2.0126834730691194	-2.011276084197513	-2.126529677641238	-2.149395830954656	-2.265739833734618	-2.4662259077298256	-2.2264964257424644	-2.329027783892401	-2.304665762177803	-2.1680193248043325	-2.164037970723347	-2.21099451913532	-2.3694840427039834	-2.3479028697324456	-2.3399969024415235	-2.2554786485997704	-2.3289075742071765	-2.2214556104865766	-2.3447380837112823	-2.3430953317025467	-2.118298649629346	-2.2620354549008534	-2.4210977364298616	-2.3358488245931706	-2.377990017796431	-2.4015602348184357	-2.238301744227526	-2.4068001613058887	-2.251528412138874	-2.350312517815116	-2.3010656950380675	-2.1255529355870495	-2.5533896124390467	-2.2402615664418866	-2.2984466931470293	-2.2931700904071795	-2.3378216012726063	-2.4988525829894597	-2.378194413655937	-2.262570722316105	-2.587256501408226	-2.417216824292101	-2.6027558832441535
165.067	L-Glutamine [+F(-)]	cpd:C00064													0	0	0	0	0	0	0	0	0	0	0	0	-6.173291176176326	-6.204647518639044	-6.2526501667124395	-6.106809748658429	-6.042100055734364	-6.006290216199919	-6.278542329876457	-6.121586393772771	-6.329763087226775	-6.390761076581523	-6.603181293436856	-6.622985944757292	-6.507606054990661	-6.3957518124230335	-6.3287159835010645	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-5.800878583733077	-5.535653862154246	-5.348437144130399	-5.466048974835032	-5.387195652612072	-5.610629970999292	-5.725053870762582	-5.721731087706099	-5.9144814838293716	-5.809767028589132	-5.50853535820785	-5.3747059701960485	-5.645817190311087	-5.440618245715863	-5.674877923042748	-5.710570505227675	-5.399137318203881	-5.653539915978053	-5.837492174136631	-5.977754606183144	-5.543648955823555	-5.390659481166685	-5.4334614060456685	-5.4988561090601875	-5.606461016795493	-5.455296762521449	-5.746594915344882	-5.770855691984727	-5.703421921807787	-5.956277988564008	-4.3728299024695625	-5.6301920934515595	-5.752330242023576	-5.443363398809843	-5.70504621138608	-5.225804316441573	-5.854936057739495	-5.997126014530412	-5.2428235837775325	-5.503090537945331	-5.4021792688149635
165.104	L-Lysine [+F(-)]	cpd:C00047													0	0	0	0	0	0	0	0	0	0	0	0	-3.827897401586027	-3.4628485715666275	-3.8099508990216076	-3.682699111133983	-3.556826112894991	-3.6981542886522054	-3.94867866708011	-3.5598135043363306	-3.9209260118677394	-3.9182979566139693	-4.435363360784198	-4.242395664041263	-3.9875383802419346	-3.901103663161251	-3.861020515214301	-4.879664464618386	-4.679576158031744	-4.811774012904982	-4.311969961312368	-4.514519904089712	-4.797935507129541	-5.1252963884326315	-4.042659735934381	-4.781747084029851	-4.374537849903846	-4.274517643563634	-4.739199943023058	-4.604435085034314	-3.8784397267232715	-5.302669891862414	-5.23269994949568	-4.414571092067412	-4.532775250886309	-4.946670427169569	-4.587755368447039	-4.635760040948813	-4.546170192993933	-4.030284988788526	-4.832571595048793	-4.436332241010104	-4.484662879982674	-6.2466568970194345	-6.045514695392144	-6.184110852734248	-5.954507498140097	-5.905202514677069	-6.241455461930564	-6.632959436740082	-6.723768980235696	-6.703805916181502	-6.4048099097235625	-6.804596214466791	-6.5253144881482275	-7.4310055167873506	-6.5845252513413675	-6.875486948540333	-7.212512613260761	-6.432429461948178	-6.313766647962414	-6.073298939977387	-6.147868260942829	-6.055178609007051	-6.393622093019618	-6.059046755961591	-6.089521768702239	-6.184460730169892	-5.901351126095092	-6.13774975485533	-5.840059881663413	-6.3222234638865125	-5.642253001168977	-6.047297652786306	-6.020246261442576	-6.143977955220359	-6.101320133983947	-6.2543513744423525	-4.335638887029882	-3.716500554330669	-3.712572634012186	-4.437852746268195	-3.706028064066098	-4.268640248890042	-4.775162280243267	-4.274931338521494	-4.179869742414475	-4.539420230554496	-4.3259344941886155	-3.9989859482871104	-4.824609437427044	-4.3642551861166075	-4.489531738715162	-4.789303492228672	-4.73439686741909	-4.278068624905436	-4.06541393865337	-4.806388767350584	-4.614583057480335	-5.198776159098579	-4.716699611908195	-5.165813848635197	-4.480295462778462	-4.6987846532849975	-4.362341440038154	-4.483346045085319	-4.26775095721976	-4.492812647010709	-4.07802175492963	-4.6709309887485695	-4.7390498323978685	-4.233532696762484	-4.544605507449475	-4.131985979063036	-4.919612584822901	-5.1289414547839725	-5.0632863837919295	-5.114967140192074	-5.268007334630444
166.052	Pyridoxal [-H(+)]	cpd:C00250	L-Glutamate [+F(-)]	cpd:C00025											-7.365971300367076	-7.679393657218317	-7.7199662613956415	-7.572790425147829	-7.322113174150065	-7.199277387757255	-7.35315639838515	-7.461393493176898	-7.454999578430167	-7.438962934120409	-7.512131022577746	-7.583064451496762	-7.759822308323566	-7.872352593384556	-7.758986063963633	-7.673785712536145	-7.710884516266566	-7.681696176146066	-7.804430219972097	-7.687325321833947	-7.898683299283744	-7.7675094311596595	-8.041370004342571	-8.097612685524776	-8.164677555816386	-7.986517265470044	-7.684512774509718	-6.081037535539259	-5.955263022256772	-5.932582169438354	-6.135164575511825	-6.17477344408853	-6.0401592219403755	-5.607648663603206	-5.739046644397286	-6.006908988468851	-5.833568028955131	-5.7550892216893885	-5.967164313061925	-5.98980107375329	-5.915185252403165	-5.616886552339179	-5.454731771790679	-5.254568989546071	-6.042056892586129	-5.6086395860551885	-5.891447147844566	-5.846910864087386	-5.724768786797026	-5.866092476300089	-5.809723261970226	-5.731739648967643	-5.730017544310634	-7.338630307389579	-7.650897036285729	-6.980432702628058	-8.400613742888877	-8.860523361815757	-9.155714257270908	-9.11704420047598	-9.451819530426391	-9.398045740976622	-9.092595984595292	-9.202813643047405	-9.287166919489886	-9.565396719889304	-9.261788238930366	-9.368586843823456	-9.393533391020616	-9.102631075496465	-8.862638389368303	-9.054036505840852	-9.041396392237166	-8.959491010950913	-9.066621308731678	-8.834440416046919	-9.189063465200649	-9.160674049241585	-8.938149009522075	-8.983083423958602	-8.834686905369422	-9.297334016775423	-9.182709681222448	-9.026563426254517	-9.106232458934794	-8.94442737040342	-9.169775014753881	-9.125898587431275	-5.6727220151198665	-5.891768320688447	-5.194926607726876	-5.8331550749770384	-6.122579274412522	-6.236224897119834	-5.872738973772908	-5.7775041346205	-6.481751101219148	-5.971848644155282	-5.462068034270013	-5.254251495556821	-5.363910853509586	-5.288927874365641	-5.669302838060138	-5.499286911192843	-5.200503476619655	-5.286342263523005	-6.729578427817827	-6.187602963326859	-5.156788723617116	-5.254524831039181	-5.522808475319653	-5.888400883951372	-5.5945286344740826	-5.508490899512098	-6.3224636552391535	-6.047047596554454	-5.920042644843936	-6.526334600015657	-5.331318505364224	-5.731334166989825	-5.974732688887466	-5.68679386409641	-5.721474504606205	-5.4363507844674315	-6.719229336264452	-6.6005737530603925	-5.368760312612462	-5.871684122735419	-5.489696039370009
168.054	L-Methionine [+F(-)]	cpd:C00073													0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-8.397191071687022	-8.198168777290565	-8.427565402474166	-8.236341927079597	-8.203075898951289	-8.471982307169126	-8.1262307592975	-7.979057449314349	-7.935494812350245	-8.076131051384094	-8.26731677284855	-8.367781882682806	-8.18681908623516	-7.959431987496263	-8.430086869524986	-8.241084478597942	-7.830725953934719	-8.39645205693551	-8.075358120798354	-8.051910976800754	-8.262900636018726	-8.128782511564019	-7.993098720576214	-8.017966240281273	-7.863117442548044	-8.043578649477586	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
168.991	Glycerone phosphate [-H(+)]	cpd:C00111	D-Glyceraldehyde 3-phosphate [-H(+)]	cpd:C00118											-9.173104632817665	-9.366851475036288	-9.845040460797092	-10.470111156327684	-10.456218433225208	-9.229495577953372	-10.007212087270503	-10.110371557436729	-8.646215477635309	-7.986692933131602	-9.845635169230116	-10.38176335088774	-9.159704264148182	-9.400774273594074	-8.873403616693489	-9.4400194238836	-9.159415247685292	-8.985545729474874	-8.261863002512454	-9.069833586965967	-9.35796372588477	-8.77444905058227	-9.090322504931681	-9.410365869309208	-9.373107695538929	-9.385375299816602	-9.37919629837954	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
169.05	D-Ribose [+F(-)]	cpd:C00121													0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-8.040174377359625	-8.041753932549378	-7.648317038020504	-7.748701824178291	-7.611580171154657	-7.674702661310486	-8.319272145115471	-8.330639428205828	-8.321360476645014	-8.523094323045445	-7.952787019357634	-7.601531639927726	-8.26157619047155	-8.012856870323908	-7.64394101648447	-8.361000618870095	-7.802326819959897	-7.595819370791024	-8.67963392429239	-8.281753743124082	-7.851002654470181	-8.050472112947284	-7.935476305273815	-8.120052821090646	-8.373021252571146	-7.411001470371372	-8.12231467195654	-7.940159291031822	-7.975071477754695	-8.553773927293223	-7.743791728608267	-8.644930973557473	-8.019654988220129	-8.387314179107122	-7.877489608189608	-7.12573738854265	-8.374059892748129	-8.452385083513686	-7.276526350406455	-7.492472490490141	-6.941966867166271
170.045	Guanine [+F(-)]	cpd:C00242													0	0	0	0	0	0	0	0	0	0	0	0	-7.566274642461584	-8.194120371011108	-7.948800813088502	-7.676410651373443	-8.229006650888076	-8.000881915687126	-7.832943937727786	-8.058655852116384	-8.250051722548083	-7.917483466054057	-7.712821496783308	-8.073645644990288	-8.21231610148446	-7.81942980904521	-7.7286737728287935	-6.82370517925219	-6.750683785642834	-6.748097136511522	-7.100597052154415	-6.789024906777964	-6.991434662436484	-6.55703934677838	-6.715559374607495	-6.674019769332868	-6.734503217943083	-6.849056460758321	-6.824492823747084	-6.768511717402713	-6.827420755909266	-6.885514088753389	-6.52568773387724	-6.640292187228319	-6.847869855716948	-6.702909899649787	-6.8130257844751725	-6.788837506632996	-6.783744905432957	-6.713826400001302	-6.657643071540958	-6.81834976375842	-6.760991481726944	-7.88539794835986	-7.821175626153322	-8.143200845049392	-7.936141805126881	-7.857061404163263	-7.938699036332137	-8.058180515977233	-8.156063325966215	-8.095847953937843	-7.384168658705195	-7.522749520315269	-7.474365992371837	-7.759563066480365	-7.576099134702009	-7.647547454754797	-7.697485026618005	-7.482550205569142	-7.40267775781073	-8.240322668916022	-8.122595113179003	-8.141933048576284	-7.793552707063437	-7.943044442154978	-7.996701117564291	-8.064024183504397	-7.508974932739053	-7.80069595520895	-7.93225163302912	-7.632723864321945	-7.927589214627979	-8.067065562113635	-7.963504825877597	-7.764696682977481	-7.956455294046509	-7.934070303329289	-7.245009202037424	-7.360111970884613	-7.096024700913738	-7.380315003225211	-7.313501683491923	-7.709156200716117	-7.395915336659312	-7.314030492893547	-7.384680311341546	-7.4970033314038	-7.236695798956877	-7.023045276251861	-7.1367425533266085	-7.162103414698702	-7.223873706637212	-7.245348757138576	-7.182381188858317	-7.105172622594403	-7.671371570350621	-7.452028459289909	-7.174547535402293	-7.1387557643758095	-7.277516699040325	-7.1869161729878694	-7.323779946540576	-7.02374259525348	-7.41874062630374	-7.42361179912484	-7.385805818758119	-7.523852632446416	-7.6351598227309925	-7.455631560126739	-7.106846653226621	-7.382968496332031	-7.308322712326904	-7.245176119418416	-7.860386163895718	-7.626346103244455	-7.109272895735605	-6.993583896729264	-7.091213473315367
171.007	sn-Glycerol 3-phosphate [-H(+)]	cpd:C00093													-6.860259352885917	-6.936081160962005	-7.11556029921447	-7.57482662362565	-7.513467700314854	-7.362621395818735	-8.030316672535351	-7.93803592740743	-7.812987485974461	-7.976086017276296	-8.804941327002215	-8.402558044158518	-6.700161302879842	-7.278532173008895	-7.567569545193729	-7.3669567172323145	-8.19305403818113	-8.590728105757389	-9.514307243666755	-8.1120284644786	-7.897755576243992	-8.17747521787049	-9.50416114967183	-6.725261678630905	-8.288568021739852	-7.770342921470615	-6.906650229402127	-6.575175320868343	-6.712103086376236	-6.503255258244345	-6.324632325313383	-6.5204026264713	-6.073202508685314	-6.232954376822314	-6.742929764215463	-4.696586654459395	-4.135115770259648	-3.992273848720595	-6.383824112048033	-6.475151028308155	-6.464509488636105	-6.167979748739353	-6.124526470325003	-6.041579354140703	-6.396106723213027	-6.56076083545904	-6.264588234476931	-6.291734972264813	-6.083650274083766	-6.4707077920075164	-6.297553562280067	-6.762401333743862	-6.251429248540931	-7.293389245259876	-6.813600926167365	-7.044997598594301	-6.7551240418725635	-6.921362244878697	-6.89593753523298	-7.3298796179965064	-7.63423558688328	-7.9773022894610754	-6.500402924593289	-6.550535299129553	-6.369351541730216	-5.531704550516337	-5.007073757905904	-4.671475593085881	-7.657176827463303	-7.097966528174214	-7.119940880877554	-6.655678499943067	-6.90360843643966	-6.698727438493913	-7.228634877860086	-7.009720639729747	-7.367498982133178	-7.100948924348209	-7.422007654795017	-6.901988705857443	-6.978704697092732	-7.051266379915838	-6.645107178915544	-6.924733025264862	-7.089712884494779	-6.970352148903269	-7.106340980257004	-7.1140503853780945	-6.560554354666923	-6.642657247191432	-6.70047050353733	-6.50484791413305	-6.3324686761110796	-6.459867932909409	-7.747061176742345	-7.580463463451902	-7.495732866659294	-7.640093893909494	-7.700447235697015	-7.7705100928319535	-7.376645657216746	-7.369377667298639	-7.226899831058618	-7.071965600666695	-7.238359881075794	-7.015465630016189	-7.568071163598287	-8.19582018694093	-8.38677229312726	-7.262003133863182	-7.216247752696986	-7.307176847677233	-7.02768834080973	-6.985157305435345	-7.256236300448615	-4.919666822056015	-5.085362531017134	-5.679131893294917	-7.584260095500029	-7.321514062590227	-7.233150810575857	-7.042250912889641	-7.155639341662631	-6.9595572141027935	-7.280246266347794	-7.263800653679595	-8.035841220084706	-7.727454523508966	-7.899531664364578
173.105	L-Arginine [-H(+)]	cpd:C00062													-0.1800525805642181	-0.040324690808628806	0.00882264974322714	-0.01960328977788079	0.2551494974770118	-0.045952195062389296	0.11550903704480218	0.24418955102394074	-0.1321700761857219	0.07973338212492687	-1.2887849928723585	-0.1607457714077363	-1.1744335018739462	-0.9737491032627706	-1.1934640360220303	-1.040346928286005	-0.7733413584013923	-0.8386606751839346	-1.1996259666000348	-1.0568083042052963	-1.003833589747559	-1.5412755156064046	-1.0159438200452404	-1.2396648414752998	-0.9487730335172756	-1.0086996149401068	-1.2885945930108613	-1.4133431299204728	-1.3364229111960062	-1.1713734249569006	-0.9068825787913289	-1.2355438121503357	-1.3862410767740294	-1.2198295444610538	-1.2085650832813248	-1.3383087939484724	-1.4554737831431808	-1.7404322033127821	-1.2947934277637643	-1.193765208621589	-1.1784375177168258	-1.7996525949777578	-1.3167211749309253	-2.0026722603433416	-1.2109743310817134	-1.2026500827057438	-1.6929761151707325	-1.4988067712192177	-1.6281193470191813	-1.5359804017780645	-1.4164266171365223	-1.200547223096218	-1.4793289163358783	-3.037492521096385	-2.987598062683133	-3.099247167021916	-3.0697627182312375	-3.0002001353067507	-3.0714331111955775	-3.140261450068083	-3.246224171666828	-3.2571491563466415	-3.3274297019043733	-3.433317581571039	-3.45364613285438	-3.467579131680883	-3.350799798096604	-3.380564775364261	-3.2770782015936932	-3.140819469387385	-3.1667716641070927	-2.9476228854285536	-2.9698261163610766	-2.999973652214532	-3.1120170587987315	-2.9364697289538935	-3.226212703692883	-3.2425869029725067	-3.126361848512335	-3.104934540270212	-3.0987789064178988	-3.159552767211191	-3.116068157467446	-3.1826260317995603	-3.0898176566912268	-3.1816175295244595	-3.2290781996157625	-3.174364398426299	-1.2168663865290756	-0.9976011100765645	-1.0196405392823318	-1.703587980633835	-1.1297349512192834	-1.387131956918506	-1.6690285951681993	-1.4326886690012597	-1.371365062873075	-1.2147150700061096	-1.4222021116548698	-1.365949080716224	-1.9066544178344569	-1.7933485828157723	-1.4539916154845818	-1.7302414128777603	-1.7805394989494807	-1.2487658577114868	-1.2851545457650415	-1.4844442801030262	-1.620475020767717	-1.7500660624666322	-1.9156223328415745	-1.9868473051701678	-1.6022703660612523	-1.6540591843775025	-1.28181314739116	-1.6557647929081025	-1.3180619039463979	-1.3347694760923148	-1.938184104931306	-1.640290163974396	-1.7226298400690596	-1.748666965416082	-1.3961481355384036	-1.6140518645357491	-2.1666675604297363	-1.5132236763885683	-2.8485479953668364	-2.3765343566269714	-2.876018113096431
174.067	L-Histidine [+F(-)]	cpd:C00135													0	0	0	0	0	0	0	0	0	0	0	0	-7.713819651498318	-7.847661660088948	-7.954630913913442	-7.746434402448969	-7.614845882065283	-7.5877412096748404	-7.93425874863246	-7.741765824955595	-7.76360520899813	-7.922548686300662	-8.338710687729812	-8.395799304046305	-8.18069211237549	-8.085302417238692	-7.987539964442845	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.637020823379004	-7.553539037395629	-7.256375714560715	-7.536164313042629	-7.251430808219538	-7.53625453708233	-7.7276592643883735	-7.815842115106887	-7.731471873465855	-7.777659499960681	-7.536769316257789	-7.372333260143728	-7.703071066926934	-7.651928542014661	-7.47951884006988	-7.9105333550870105	-7.6171830283298325	-7.567318004266979	-7.8693077004250656	-7.882913558355733	-7.510400587808513	-7.859842516320025	-7.629962774016277	-7.78281538106482	-7.786245952546339	-7.4663725101034775	-7.703864777090712	-7.642849172699876	-7.495162683719311	-7.813960630971099	-7.296349832415808	-7.92271427431651	-7.8448629899959474	-7.677231457812641	-7.385301265905738	-7.065955988429702	-7.700620666073384	-7.799927107059108	-7.3472852126581305	-7.563799659226428	-7.1967988903922855
174.089	L-Citrulline [-H(+)]	cpd:C00327													-10.179333334895691	-9.972986010574912	-10.013177234161061	-9.862789137862434	-9.968796751792118	-9.29647613170885	-9.390085118438892	-9.50125048677015	-9.323132834769199	-8.900957804161472	-10.234852472555582	-9.202738456579924	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.913433429848046	-7.493352937939061	-7.543687620978882	-7.727506596482279	-7.726893992611267	-7.669103801682751	-7.8135030335231725	-7.748491270333665	-7.8178339414536575	-7.841479547766354	-7.683158420048772	-7.545871668545371	-7.794308238147332	-7.964487907935931	-7.470578721560151	-8.10371106081726	-7.614648818638223	-7.898520526053945	-7.545325970910333	-7.680435575027059	-7.916966908045393	-7.947999016829897	-7.721266425928674	-7.8029571628271235	-7.571830727878469	-7.494855841906279	-7.560281138161512	-7.727006176374582	-7.71773262563391	-7.701033721867951	-7.669895192431637	-7.857913296701228	-7.694332923229612	-7.920245616552698	-7.60991459428472	-7.59559939824715	-7.964252367418922	-7.862025848671245	-7.817059821097623	-7.887442278371937	-7.7109347888330655
175.026	Ascorbate [-H(+)]	cpd:C00072													0	0	0	0	0	0	0	0	0	0	0	0	-9.451637456286134	-9.928352867201575	-10.221394465396028	-9.817505946134885	-10.343097577133465	-10.20592876976858	-10.230261279062947	-9.994757817615785	-10.165017021727438	-10.368525339267267	-10.038934271129097	-9.869035497644276	-9.976731891750338	-10.26063417406342	-10.048283880516763	-7.853029540095707	-7.75895371097689	-7.592439379667649	-7.896563552764129	-7.8779642341638585	-7.918486947578707	-7.312429058397746	-7.637560963082023	-7.149442521782054	-7.403355707893416	-7.691862655606981	-7.682103720774113	-7.504937542939379	-7.760710362472369	-7.883478791459805	-7.4340814556815396	-7.712276493707812	-8.285557238362204	-7.551920651146702	-7.783934578756651	-7.7464140438656	-7.541499932087258	-7.784204035728137	-7.416492912878353	-7.306688211234682	-7.1650655528645455	-9.136446584476815	-9.242662760186112	-9.271993957007647	-8.80623649052336	-8.7500177979449	-9.017080944687475	-9.683651721601574	-9.63718018916416	-10.025946007635174	-8.847672038282068	-9.509672358669933	-9.404963019033348	-10.17682047777362	-9.690099538886757	-9.846007032471938	-8.208434480321454	-7.4593179678089125	-7.5351263939464905	-8.779615373925028	-8.662889511036978	-8.983818820994689	-8.981789641464854	-8.881319962322918	-9.226192227265031	-9.435256655610015	-9.073649717671774	-9.051834238091068	-8.83930904735337	-9.283843641417699	-8.862348172310064	-9.071391654422138	-9.037807652815205	-9.267504060447147	-9.415889222717851	-9.251716724971615	-9.021874628832567	-9.133175440033437	-8.481917225467885	-8.093763762467109	-8.222109887488703	-7.91147802030825	-8.936576482038431	-9.000754181849066	-9.230026527691882	-8.86387212788172	-8.66742672470925	-8.421653118059744	-7.723935312208715	-8.311859280751191	-8.525523352772922	-8.592652712847412	-7.763830798244839	-8.470082396496784	-8.312979292900392	-8.760427095022385	-7.863106455534529	-8.512270442578442	-7.744361247637179	-8.708074133000057	-8.050954269951301	-6.871113846185594	-8.940714403859621	-8.711213829001366	-8.752420594069173	-9.252257789513628	-6.222681704613076	-8.71952170381652	-8.379871403306327	-8.91012874254401	-8.747532016231373	-7.213722712996163	-8.682572761741808	-8.958536422418831	-8.057589267806414	-7.713886816709884	-8.059724212756866
176.936	Diphosphate [-H(+)]	cpd:C00013													-2.3715991716639864	-2.787923416946847	-2.9450423466178797	-2.4720844305490557	-2.671701410439392	-1.9156747179413278	-1.6242341675552614	-2.352982470278757	-2.2861369175106825	-1.9054317111940187	-0.7358613463615419	-2.083901764741415	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
179.056	D-Glucose [-H(+)]	cpd:C00031	D-Mannose [-H(+)]	cpd:C00159											-3.4547421932822178	-3.338610946367609	-3.2932939819209173	-3.333493553461566	-3.09963900885713	-3.403633554761507	-3.3244815674193786	-3.405817773713338	-3.6978386683472655	-3.658481604776906	-4.558842282103013	-3.6423675824832515	-2.735775598048815	-2.8174200587267553	-2.9541154760831168	-2.8593513966752977	-2.6954629491374735	-3.0446676519642684	-3.001107367089048	-3.1344887954900607	-3.315463628784584	-3.0018570486099163	-2.4667181845826627	-2.346803055371793	-2.5926612975115098	-2.6457693237119457	-2.615564361779315	-2.252651463632515	-2.064226483569391	-2.1838478440341182	-2.5637539598630332	-2.306662177011146	-2.3378273646284473	-2.2007067118767996	-2.5083423354744223	-2.4634981202860358	-2.4149913982900015	-2.1704270115982007	-2.3711818921676318	-2.1588011444304724	-2.4070076014064994	-1.98381823103719	-1.623517382639343	-1.9664399674113	-2.2757365782105974	-2.37802729583378	-2.586820361065161	-1.9590160028431345	-1.8164534141449127	-2.304879921023771	-2.023770086999317	-2.7536808715359093	-2.257491970583209	-3.1440492313010457	-2.7880800484724944	-2.9205717584744466	-2.9933062837672004	-3.0452459848412783	-3.04175593812739	-3.649864715703184	-4.004396914364055	-3.8470036679008888	-3.5120331685214627	-3.4718855276208	-3.588033167386321	-3.646316712727572	-3.5777650006569996	-3.323267644133202	-3.293590436847018	-3.098852886818322	-3.1086926301697364	-2.762105914710171	-2.910920670756738	-2.9526573449365845	-3.191112822982343	-2.9359285982031027	-3.1315048119789597	-3.066070972093765	-3.0495981395985905	-3.074592165470306	-2.9287355048246493	-3.1080631034455903	-2.9778343485758456	-3.043347591012096	-2.971370868690579	-3.0687214460956693	-3.0966267697606225	-3.1592373879101885	-2.9425730646652295	-3.200182165581295	-2.81326625376677	-3.0065624926895733	-2.3035715922700764	-2.7012098831125333	-3.2214163802526263	-3.2413816464494025	-3.468102602447776	-3.453230131546536	-2.9884446790369634	-2.936913112465125	-2.750181568707266	-3.0006060519147475	-2.8771459101926387	-2.8899025211011904	-2.5105269444934346	-2.7216787018815567	-3.096681279204829	-3.4822063675920223	-2.364232586697322	-3.190613081725735	-2.696149159439326	-3.4639031804938125	-2.911554803625852	-1.7201625295017677	-3.473553027954505	-3.231145503410308	-3.215688057102359	-3.487659906657665	-2.746291117919835	-3.0593337939932224	-2.9547588416750608	-3.274922833634062	-3.0894112989241247	-1.9994132901256327	-4.451741356293845	-4.285645655214248	-3.7366491449421093	-3.3077084386327926	-3.305796630653777
180.067	L-Tyrosine [-H(+)]	cpd:C00082													-3.791550260223008	-3.6674113660061307	-3.6380806178875775	-3.4170231194583796	-3.5797799081142543	-3.5657122276791573	-3.503486953668213	-3.2980755805153295	-3.6564876083345883	-3.550130926764655	-3.9010456984386006	-3.2971900954816604	-2.671410153293792	-2.575270381657882	-2.836601084093356	-2.7851570830816605	-2.555275317508008	-2.736367897683913	-2.756168033562899	-2.669720093949904	-2.94988564886405	-2.883146963179965	-2.6808004951522095	-2.6047433873559913	-2.6008239611717814	-2.6653808091253484	-2.728090928886518	-3.50018838819373	-3.608256515384154	-3.629823181251141	-3.1948014723193157	-3.7625928561471293	-3.271612444352133	-3.587901121406613	-3.8442708812957167	-3.850789181194066	-3.6136355169224186	-3.278208878458971	-3.527390111093001	-3.7126056478460345	-3.6645240612172008	-3.465593524596289	-3.6344734513626156	-3.402036828575078	-3.2748807532941626	-3.58319056617669	-3.417001648015769	-3.357984843379102	-3.2738054857414234	-3.4767856199975156	-3.758087606742128	-3.7750883279008987	-3.7384781905333018	-3.718095073924816	-3.7378050013862247	-3.815588626293603	-3.6705179591714425	-3.6810571868693978	-3.6904219373822	-3.7530963112545517	-3.7457139359757856	-3.819749806287322	-3.875146070215138	-4.020192943194543	-4.009067955740277	-4.096909752148981	-3.834981631840117	-3.903211619597207	-4.000577245685641	-3.742149864449174	-3.765380152387257	-3.6127401292703527	-3.7632142965986164	-3.663794799312039	-3.787997737501614	-3.7078832978313927	-3.7381563535633258	-3.791457050386065	-3.783745300672862	-3.6939498597126796	-3.7108717720265285	-3.736471515991312	-3.595838566805189	-3.729119264037185	-3.694556388300752	-3.789514058341335	-3.743156018899558	-3.767261718704795	-3.553435754431272	-3.535084180513999	-3.6033255441367804	-3.922651178960496	-3.5530634313955374	-3.815015370766313	-3.7255326305198384	-3.5667498990288515	-3.5319017622965245	-3.6318221426180255	-3.7933526818403784	-3.67912889528395	-3.884523471821698	-3.6687068595396193	-3.710976677537015	-3.614684562153374	-3.7817597321234917	-3.621063212885905	-3.6130642601692653	-3.7614391735045283	-3.8356053438834627	-3.7754342042069635	-3.8880159347923495	-3.8723151337915414	-3.7676303100994355	-3.7771501295587635	-3.7804350773589297	-3.7556066266294112	-3.7441494404437132	-3.5414330852180247	-4.306555262967879	-3.7167915987788183	-3.7826553357145065	-3.796418582578288	-3.767437006262688	-3.894975862105399	-3.9056919881541354	-3.7856645345836553	-3.976883428298846	-3.9596968876614547	-3.9007965004301304
181.07	Mannitol [-H(+)]	cpd:C00392													-6.578987549447497	-6.719465429142629	-6.550004154057475	-6.575767453537036	-6.5136459710871275	-6.206831874723809	-6.510090876494621	-6.08604354137266	-6.670358793043327	-6.529152738606721	-6.75413662197523	-6.348635677958307	-5.595783347930471	-5.6856346821597	-5.764757284708116	-5.748302916951225	-5.654152025346089	-5.634203330501111	-5.83930826581657	-5.759598559606763	-5.844783197149145	-5.941364403664195	-5.652806263262188	-5.764009990513789	-5.8177152939946986	-5.767030975475063	-5.712637480133015	-5.775644399827117	-5.812321522522591	-5.821326711528342	-5.43901273004583	-5.834452195660814	-5.638728141944566	-5.665742486197041	-5.695859871992528	-5.733091131317051	-5.701769765568956	-5.565252076095055	-5.75677931678877	-5.913242954053892	-5.63921153391148	-5.756587641814798	-5.778867625057851	-5.46502991072889	-5.612289119761474	-5.699717879714234	-5.709691755924611	-5.621946031541879	-5.6033791871053955	-5.5913990941949026	-5.850008799163436	-5.702529249168208	-5.7845447765377065	-6.611219214714746	-6.58459297318954	-6.641104532047397	-6.532540525649386	-6.65003135615636	-6.702607359647773	-6.7422577870262295	-6.690223009720836	-6.693257671136882	-6.851428031155694	-7.043773829914225	-6.903935482064141	-6.5137674653378745	-6.749765924967164	-6.874464965643719	-6.542385309608278	-6.581053518966966	-6.567366412362876	-6.5031356814997565	-6.552019968717755	-6.485193613701416	-6.71039511457535	-6.449723067237732	-6.600197183907452	-6.7175204149281385	-6.677703640011147	-6.5611683054887155	-6.651083500220448	-6.749908835802036	-6.651405912095769	-6.659769860652065	-6.546649810467397	-6.672344408774211	-6.63567412404859	-6.6581600329156565	-5.978645709044652	-5.917326334046719	-5.869555034999869	-6.225301424141766	-5.997300695819976	-6.149840246770862	-6.227205805379167	-6.1128359958626675	-6.131170607940722	-6.083716597658404	-6.074472605479414	-6.014830701118825	-6.203809878159053	-6.121572465971624	-6.028861840089125	-6.140972596640902	-6.001598330852582	-5.960104627220308	-6.077118248489134	-6.149829116615666	-6.035069576205505	-6.186349084428917	-6.156056612304977	-6.27873564602743	-6.162623993935787	-5.892990013966756	-6.205412067106897	-6.179331044617139	-6.130239305129895	-6.14271411802141	-6.309099925268524	-6.245275978563777	-6.0939546144133665	-6.221936068531545	-6.127294344555264	-5.954055124988568	-6.240455392953278	-6.261810766288564	-5.861618148371173	-5.891917620442513	-5.830623652662957
183.067	Choline phosphate [-H(+)]	cpd:C00588													-9.667219935755506	-9.738082658497035	-9.733594813171385	-9.481710508173535	-9.270047421138825	-9.029042580924337	-9.17206972645539	-9.253894952616204	-9.453458118523434	-9.415773622105323	-9.393788178161737	-9.298967736087262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.826988557637259	-7.850623542562983	-7.397040634272395	-7.5029491375640855	-7.4524712780451745	-7.634997894790373	-8.121969145859133	-8.0408591325146	-8.12557824329436	-8.451201960652169	-7.823435158069626	-7.468159078189181	-7.957401544642906	-7.908447895116376	-7.540917858826582	-8.122996141935381	-7.816258694122717	-7.4329801851190105	-8.454914268966762	-8.106712613603603	-7.724831916552592	-7.916917969742148	-7.81133858464545	-7.9719735164169485	-8.180230547517075	-7.347690665985621	-8.018059985032897	-7.906469220366435	-7.943381240054858	-8.249534202245421	-7.339035922991129	-8.379160581736393	-8.075775095447431	-8.025399813521089	-7.666029745459553	-6.982112760295489	-8.144325070536729	-8.27114849276928	-7.17369288480836	-7.309801934795469	-6.891310569415639
184.073	L-Phenylalanine [+F(-)]	cpd:C00079													0	0	0	0	0	0	0	0	0	0	0	0	-6.144173985094682	-5.862603754134801	-6.151848916420989	-5.934028314935432	-5.820988709282849	-5.77990730045369	-6.212752889068924	-5.739413203773599	-6.158156657172523	-6.218632043125029	-6.796928971562207	-6.862480284027286	-6.473243038804962	-6.31788335299338	-6.250151302745928	-5.776799077127287	-5.605118217083716	-5.595252044416961	-4.797142467949858	-5.521615645509563	-5.499461244228916	-5.832049220257472	-5.339132255220196	-5.727024627160786	-5.377816222884376	-5.057761722990646	-5.52732788123108	-5.575926672282537	-4.7025346701969415	-5.986302425721428	-5.866760541524436	-5.280541371767807	-5.312179083438584	-5.740961050644629	-5.56116829463232	-5.400499610550236	-5.302962488953493	-5.008629602490269	-5.645967038678256	-5.460775534429284	-5.247740876546699	-7.866218674588402	-7.657368249749129	-7.7923951669969345	-7.649286435495539	-7.822293346103382	-7.772866767344175	-8.121598945024527	-8.22270438711617	-8.290486438942484	-8.091765933110128	-8.261952344938098	-8.066957552214992	-8.566920550729725	-8.121887898156844	-8.302356771457386	-8.264570399752596	-7.9197526306471895	-7.750752325306785	-7.804674633619633	-8.013793871553037	-7.764347364758514	-8.011459108994226	-7.999440796251762	-7.871270249077665	-7.908836442175569	-7.956038346859561	-7.774691243913823	-7.733773441208418	-7.792026463394432	-7.722046438573037	-7.781054363151346	-7.732728669377415	-7.648662689121098	-7.833620992219515	-7.871243685463226	-6.093769559362192	-5.665354283566167	-5.580197497921193	-6.009850594269226	-5.6504019902284295	-5.982115325909351	-6.199125450076705	-5.882292522107702	-5.955626992522421	-6.038904847917048	-5.9995436094076755	-5.805505091379202	-6.363782106319138	-5.9767212005062715	-6.186691648415419	-6.321693500535582	-6.207758960681627	-6.162355269552606	-5.757083256725928	-6.425501896561646	-6.286032937022064	-6.455341901227192	-6.180499541467611	-6.538680190407686	-5.958070151590047	-6.2953753195287945	-6.0358823350492115	-6.114731082353788	-5.983592905662627	-6.097925386513127	-5.590862293171771	-6.113592666628056	-6.391860470003194	-5.789113235199401	-6.210035641724362	-5.907499441358517	-6.383102830981704	-6.388224456259592	-6.411705161401946	-6.681609727223565	-6.380402122889137
184.988	3-Phospho-D-glycerate [-H(+)]	cpd:C00197	2-Phospho-D-glycerate [-H(+)]	cpd:C00631											-6.76942426632227	-7.75580516355494	-7.882589507301109	-7.428743351043597	-7.441004484853578	-7.188768932753458	-7.867653497818986	-7.006426509684207	-7.026518056488149	-7.7415682589548265	-7.810861591432213	-8.722254233818342	-7.4827947262442684	-7.89861153340831	-7.0292116420100355	-7.422463229124476	-7.732236137900315	-7.695195773209591	-7.5703844809891	-8.069893883451078	-7.755437920148346	-7.486298899884575	-8.122579657369604	-8.007143686521312	-8.495736811091243	-8.223536503686363	-7.964609706964625	-6.8445230093410645	-6.629574376851713	-6.562356672357772	-7.239702323805141	-6.4091355046497975	-6.468122335018335	-6.309082751490896	-6.554235737364534	-6.8493538315012055	-6.992736003161381	-7.166724660568596	-6.845807807490101	-6.675893556242724	-7.111696039202069	-6.400940107612184	-6.161138525752894	-6.221284995884272	-7.024849486232454	-6.631951955577011	-6.821083238463041	-6.559302096613759	-6.335505850619415	-6.889470869226865	-6.167714846874608	-6.843096205620778	-6.728852403879487	-7.139912666730503	-7.44796856371072	-7.3728572308520866	-8.087712613753613	-8.16331813570642	-8.4325805562685	-7.994740859550801	-8.13215667188289	-8.21809805253924	-8.92360567899777	-8.954570021615403	-8.568531662533708	-9.090662243838274	-9.083199967975814	-8.909311470763571	-8.833814435707927	-8.766425149536621	-8.849580427533967	-8.44972302902595	-7.908581256987779	-8.232397567663703	-8.051605047115789	-7.328821378578584	-8.275594678661705	-8.57403935296299	-7.884009787683131	-8.460325879306883	-8.078676148535985	-8.649034600653145	-8.609792586051087	-8.430861252341701	-8.173952664411747	-8.7815353163669	-8.862623103692972	-8.440701225761302	-7.145713809934596	-7.216762908979753	-6.916823713640056	-6.995203551265233	-6.974640421083155	-7.1076901193883115	-6.95633897762592	-7.199235105050046	-7.5014824710565025	-7.5319049668386135	-6.922546821292839	-6.819878184161503	-6.808996956090764	-7.004831470721586	-6.720970930924654	-6.922628512758212	-6.498925447597224	-6.791857157817057	-7.225277814338221	-7.162602273488529	-6.762373203753278	-6.8744815827602945	-6.973364313575958	-7.243878656166167	-6.897641926548127	-6.206017182277301	-7.293449132919389	-7.0157419436121415	-7.124799205530329	-7.433530615163398	-7.428777227984209	-7.222528210165198	-6.996247431928462	-7.157951776286468	-6.990000102229518	-6.308041127422198	-7.641592544448445	-7.865103798768581	-6.224648027495406	-6.402325666017454	-5.924871051500589
186.058	Pyridoxal [+F(-)]	cpd:C00250													0	0	0	0	0	0	0	0	0	0	0	0	-7.740636964543825	-7.855412885915489	-7.905847761462113	-7.566570036226083	-7.668869537267558	-7.663082038192118	-7.754505275572959	-7.715101385606916	-7.852983339196579	-7.9540257651524335	-8.199836895910158	-8.245285938477972	-7.8996896850711655	-7.966323911044516	-7.859239088313781	-7.383009183926168	-7.155152360912522	-7.127703424966582	-7.003353382024174	-7.126178238189765	-7.147644103569574	-7.059952595219391	-6.823047402152814	-7.037531023908192	-6.940729533109965	-6.788215322901584	-7.1052872814121715	-7.187459324109575	-6.908514679615364	-7.12075772705192	-7.081093126297975	-6.708710836787305	-7.081913027480393	-7.0044688569834985	-6.987784519135743	-6.978575988841629	-6.934345387362682	-6.895401794500398	-7.064064019608267	-6.893423060559631	-6.9902847171524725	-8.335988401949923	-8.031274877698385	-8.234728634503293	-8.21646257248421	-8.186751700990696	-8.308607929546296	-8.559187833977271	-8.65482075820176	-8.626689913861004	-8.522250031973996	-8.576861445648058	-8.422132630316076	-8.694582970840683	-8.518991247482973	-8.585746852728033	-8.540651858844535	-8.2370913048982	-8.240119342735158	-8.185444520005866	-8.12891277794975	-8.14933864085875	-8.346599055597755	-8.234893194528794	-8.360422263944415	-8.259861676201455	-8.273702071339784	-8.234945898572638	-8.043630771103473	-8.422061109482186	-8.353587425174238	-8.199377691669456	-8.148708653074056	-8.182740591847324	-8.359765069665333	-8.321287081419777	-7.318436774608263	-7.109055038228866	-6.905933956074625	-7.377193733080899	-7.124520762734035	-7.299078951526917	-7.464034536294102	-7.315442673665654	-7.468877849716984	-7.430929567779161	-7.278870029332359	-6.94505229894848	-7.4173508977080225	-7.101775125812772	-7.345568771242327	-7.4927265870660085	-7.295610025330377	-7.198301285358088	-7.411836668431654	-7.504395411144778	-7.252086577499999	-7.411405299097323	-7.377465505636448	-7.552234933783554	-7.352965708678442	-7.120897823617513	-7.469543499847474	-7.475835051155619	-7.341709186472206	-7.559846629220472	-7.024265570723854	-7.387788794966345	-7.559533700414024	-7.305054520734511	-7.25762424113786	-6.9955475241539204	-7.633582467930753	-7.706338192688763	-7.147086146096453	-7.253291730987617	-7.104553867128877
193.108	L-Arginine [+F(-)]	cpd:C00062													0	0	0	0	0	0	0	0	0	0	0	0	-9.064660331588517	-9.066070165345321	-9.025869649347165	-9.00704934057571	-8.730780346049645	-8.74715692061167	-8.969063517514494	-8.966008329115498	-8.979897197663885	-9.026607590522957	-9.390428614583511	-9.539956210264283	-9.245546713551647	-9.081330379312403	-9.128958250954884	-7.975177832871052	-7.799795940117358	-7.8907596629680175	-7.9344533656502865	-7.758367575162886	-7.986746453750338	-7.82351720908607	-7.309446897826474	-7.593850963139098	-7.574932305459486	-7.749632924804082	-7.963996291885187	-7.774008520756718	-7.476456191228656	-7.921002570940682	-7.890273475506789	-7.455309999796134	-7.9371386540269215	-7.696315710151007	-7.728131991943177	-7.78187392219797	-7.6976205045288815	-7.605909042761908	-7.775481222039488	-7.414559969081767	-7.808375119226239	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-6.330541762697902	-6.277993468151324	-5.9593488018185985	-5.0457807882289245	-4.86923582973923	-5.148019681438002	-5.442515295586781	-6.031506470959788	-6.679062358470555	-6.476903737844314	-5.53987988304749	-5.62834674216179	-5.982886275040062	-5.669090432032489	-5.958016579773044	-5.795484365878302	-5.316021935617029	-6.06412909868269	-5.9070839046506896	-6.291355105837335	-5.513906370585153	-5.7838917588744065	-5.161980187157905	-5.173196707725799	-5.508524298609596	-4.831951599117707	-6.346736591609868	-5.979971465947882	-6.342884975983849	-6.401138026575462	-2.7434274178357545	-4.849530066107059	-5.886206457037226	-4.9602901669885755	-6.344983491736918	-4.62699367259505	-6.17788692120372	-6.30505198396611	-5.064332551392026	-5.075458724273593	-5.064105122480972
194.094	L-Citrulline [+F(-)]	cpd:C00327													0	0	0	0	0	0	0	0	0	0	0	0	-6.733670835506208	-6.5319281768398625	-6.839848510884942	-6.536617490684966	-6.487355776660232	-6.39677095727371	-6.777503522892774	-6.450308100030791	-6.795081173105949	-6.824872592840175	-7.402389007645931	-7.393081474571185	-7.1319701965907045	-7.048353108025452	-6.849094041606859	-6.929242100222835	-6.823310679218792	-6.881799407836511	-6.24036688836302	-6.690663268763633	-6.67271023456636	-6.932043025829192	-6.298456376070981	-6.716611923363133	-6.394292574574332	-6.2036709301365995	-6.787553284314124	-6.7665363201869235	-5.958414706787405	-7.145626170397003	-7.090266745928576	-6.293087040821621	-6.547326330900311	-6.810573145439469	-6.537031502026304	-6.616788208311021	-6.459105830535471	-6.1454415165795355	-6.8741112674464135	-6.453824496540056	-6.487250859190832	-8.976649414125434	-8.717435953391586	-8.853463826133893	-8.787068711152058	-8.830484513963267	-8.92695495536798	-9.238453847060768	-9.315169488273856	-9.394329511615696	-9.240824501228914	-9.537730231489569	-9.241007021875394	-9.777188182340995	-9.172100800995478	-9.256328707548214	-9.667424311421064	-9.446645768486608	-9.134468276075276	-9.095421233740502	-9.163438119515275	-8.986513094461207	-9.333288582035722	-8.860579328022926	-8.892412775253858	-8.844219762271488	-8.921949694651056	-8.785651646523943	-8.705929725126268	-9.051510558275165	-8.797696544376114	-8.777415233008412	-8.830708074641622	-8.947637764485808	-8.733019097834402	-8.844391964085613	-6.925604769373978	-6.487441306013803	-6.375994037412862	-6.83475058328684	-6.459842240831713	-6.818868237038691	-7.1460675148464015	-6.825838775935078	-6.8300979500357375	-6.922248283017717	-6.862628193085652	-6.601073227404528	-7.278409553418949	-6.905817357235512	-6.974277997557465	-7.192906741555978	-7.07009809428437	-6.830151690909321	-6.76894073645069	-7.384147642045029	-7.130899478020728	-7.202470771712492	-7.104269725490552	-7.36186887520311	-6.979797555643073	-7.096214201108917	-6.880595632612833	-6.928867539124624	-6.763353707487452	-7.022287727572769	-6.48915465789123	-7.191871123443543	-7.2541397103310885	-6.767567616711833	-6.966118261156642	-6.70980685439846	-7.256659295811293	-7.322883728782463	-7.178745405266948	-7.323178341985598	-7.138110110127113
195.029	Ascorbate [+F(-)]	cpd:C00072													0	0	0	0	0	0	0	0	0	0	0	0	-9.890900570218166	-10.116485580526414	-10.030109270198011	-10.145556767097869	-9.832465236689929	-10.082578304314426	-10.293565478219842	-10.067665058785844	-10.06306264816736	-9.967632155350522	-10.293015615019792	-10.091275791717957	-10.071304216318767	-10.034718556292628	-9.833928306141225	-7.982575498178935	-7.767294105451046	-7.709980446810205	-8.202213010211835	-7.743395322919755	-7.980225835754005	-7.377939222323099	-7.747473121921094	-7.604579296392854	-7.759344973307749	-7.6939757412897665	-7.783400306845446	-7.742462639514844	-7.946198177914926	-7.765239764759761	-7.500872172626711	-7.288629303638138	-8.058100179153236	-7.52526544643282	-8.02032574263683	-7.819976097140455	-7.60505338002154	-7.802422527689646	-7.590799889112357	-7.630134060716767	-7.69675527644878	-9.063244967881245	-9.015633679827056	-9.358729037702133	-9.310736368874052	-9.064171180709208	-9.54980233008386	-9.493318081356533	-9.924700345502963	-9.80066995242311	-9.337209854156557	-9.825061937869702	-9.475453906112273	-10.166879914411542	-9.626125069701484	-9.837093034945172	-9.383876625795201	-9.13006822767048	-8.949708883391095	-9.02468252392411	-8.93149289158316	-8.985652119066929	-9.292336543079989	-8.60591961945753	-9.230288581785171	-9.345605596328916	-8.79749314617928	-9.011133810236439	-8.802415388144858	-9.473712899723713	-9.349933234739161	-9.098612528910271	-8.98630013158733	-9.267875114704168	-9.309195184932252	-9.221619239972851	-8.704223802139802	-9.015403415571784	-8.67115416134751	-8.603651502858757	-8.31043478363299	-8.646681100279185	-8.713560804120128	-8.913119988733575	-9.069691283812668	-9.340286130387273	-8.585253215640568	-8.519788109993113	-8.364272975714806	-8.41590615639088	-8.5193492714972	-8.340298598857418	-8.164984537622793	-8.33658341390084	-8.5879994500373	-9.359977183440582	-8.269043747631661	-8.534163643371246	-8.471655116028753	-8.839389965400345	-8.758172594333415	-7.640559755619454	-9.121071325280653	-8.752483027613234	-8.769406166648299	-9.210879671427708	-7.538038244936345	-8.768704906804329	-8.709235138071682	-8.7796861931211	-8.725717918546438	-7.906587765285802	-9.571352827997403	-9.714853610620237	-8.049538978801849	-8.208004530399386	-8.095305725675546
199.002	D-Erythrose 4-phosphate [-H(+)]	cpd:C00279													-8.758702473962076	-9.094064298437297	-9.204638893588038	-8.812083837299298	-8.877009303264801	-7.819171814414795	-8.199214410330166	-8.58291867011514	-7.972755641439768	-5.718332547029197	-8.028501154515329	-8.528780148687956	-8.925587831484133	-9.286142808433462	-9.264234774865379	-8.859360108765493	-8.962595084998249	-8.858400348428631	-9.4209511723339	-9.272695611650414	-9.151920044202459	-9.256304867632789	-8.773359058028076	-8.97242871748047	-9.007221100578153	-9.025587161785996	-8.939223918449992	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
199.062	D-Glucose [+F(-)]	cpd:C00031	D-Mannose [+F(-)]	cpd:C00159											0	0	0	0	0	0	0	0	0	0	0	0	-6.932896945092571	-6.995092166661171	-6.6985635916071455	-6.512832256744629	-6.407514014159053	-6.294471507330185	-6.492354763138729	-6.288783067813908	-6.298760315599086	-6.335456627236771	-8.0452736911429	-7.8595401026504055	-7.826590874879564	-7.593386945038019	-7.224628422691472	-6.490932710774314	-5.656237813134677	-6.125530351566243	-6.1798037542409405	-5.691469507232173	-6.149590226171669	-5.541138690424945	-5.4276330677747655	-5.398027154423195	-5.284211394794228	-5.408612601761735	-6.019187926352146	-5.614797526534872	-5.552536319142097	-6.21779366257159	-5.682981228558422	-4.987891270426661	-6.090610436566068	-5.6387924179303255	-5.361389546236727	-5.933166635069835	-5.768894938676828	-5.434210308717544	-5.54428966466336	-5.169324415603974	-5.368461100404185	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-6.405454701825086	-6.141656293133891	-5.6665380610968255	-6.178341595503959	-5.417080391039902	-5.577144785268742	-6.866896263953656	-6.726324437895358	-6.229961599943183	-7.208878354496512	-6.216977223548723	-5.578665257975529	-6.779052353765121	-6.497360551678451	-5.571378242326608	-6.7803699565797775	-6.310172977231051	-5.356327041469107	-7.733211127030481	-6.735841708220306	-6.243995625575961	-6.596582418517208	-6.40463481991325	-6.180141939300051	-7.280940964307085	-5.9084470392037565	-6.291054012236688	-6.1573949775997265	-6.01224551702086	-6.790757412974409	-6.2531768052149985	-7.628931270549103	-6.262261138564534	-7.10238038809165	-5.67515758917071	-5.039164023524017	-6.787665320650592	-6.825061488013539	-5.531990135880489	-5.68129064926714	-4.56991354216397
200.074	L-Tyrosine [+F(-)]	cpd:C00082													0	0	0	0	0	0	0	0	0	0	0	0	-7.578592851717187	-7.7038361740867405	-7.774373063455267	-7.696144974215729	-7.537471580395405	-7.472260756871989	-7.804539630421799	-7.680293591193794	-7.799591035238405	-7.9200081478133395	-8.085220381383746	-8.060313966476564	-7.935760451245681	-7.875014862629623	-7.688586794595943	-6.912293586613428	-6.867507710467317	-6.932630002601382	-6.589023123789496	-6.948683966418804	-6.920057150916217	-6.913552355289373	-6.744056322014749	-6.82456052180028	-6.638989640974034	-6.514784360050713	-6.822085236788235	-6.82965381481802	-6.4882033778756645	-6.955765740262003	-6.925014643860815	-6.425864181467428	-6.848983826749172	-6.8727766212769374	-6.66169269499481	-6.7316923210038215	-6.603464495653995	-6.609217500085204	-6.87623325167837	-6.772169887562331	-6.676150578124856	-7.825400163935996	-7.584928271663236	-7.761169936443032	-7.665608850059331	-7.648619976049581	-7.5247277409734625	-8.04142611080793	-8.192089693557667	-8.06055296068545	-7.631411866981646	-7.941043062334011	-7.821647566256747	-8.112338942099456	-7.968546833125743	-8.195490701728215	-7.7260856609998205	-7.431739769483958	-7.458648269762981	-7.733406323650061	-7.691235636724027	-7.616187005321403	-7.733987945670707	-7.78944440796513	-7.913402272371685	-7.818121402840149	-7.8460163419576565	-7.729818670218631	-7.684579406404115	-7.806631867454084	-7.67176238657839	-7.727057417573227	-7.71498453328976	-7.604404816999892	-7.802994243312278	-7.722267307367786	-7.182115975447171	-7.016178183416859	-6.917497763008709	-7.260507177723851	-6.759765714899065	-7.059606634270466	-7.328088890567313	-7.204954764196278	-7.204643880369403	-7.368667234475132	-7.259030795883278	-6.988308031332958	-7.44512911624305	-7.113602531193054	-7.341868891030591	-7.33066003668573	-7.200717840277754	-6.992964796927336	-7.232794153177184	-7.558272095651278	-7.2403727456387195	-7.479824276863883	-7.354214572624535	-7.45342903147032	-7.267154953168097	-7.062655685341126	-7.416433883468107	-7.366895395915672	-7.248131642125984	-7.442535614864442	-6.215752805951902	-7.160546789636105	-7.446036093171518	-7.1274074479157346	-7.2821501355358365	-6.8229254303337985	-7.648638628553263	-7.664660983771042	-7.138365727187176	-7.184337286852719	-7.009910753663853
201.078	Mannitol [+F(-)]	cpd:C00392													0	0	0	0	0	0	0	0	0	0	0	0	-6.844520536686005	-6.707080294111697	-6.997145960584935	-6.702495022754573	-6.659332564676831	-6.779025221774936	-7.0945496676821005	-6.716311941082787	-7.01344132247849	-7.064985463652565	-7.565312336499351	-7.257957211573344	-7.295849898215816	-7.020265557053296	-6.937045136349224	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-8.52723298152474	-8.342597770445558	-8.661944973490254	-8.539379539135707	-8.548301705670987	-8.667931382752899	-8.777527427222475	-9.113881795642214	-8.998190775536543	-8.83898698716537	-9.04922135669994	-8.874251234572384	-9.498158189017845	-9.113826895742019	-9.279418714206681	-9.052954375940905	-8.7545922015066	-8.620842071564145	-8.357644245203419	-8.616021123467917	-8.41134670844853	-8.68305998247223	-8.292778953994878	-8.80360377554718	-8.66816429579328	-8.46557916262695	-8.445062413540219	-8.324697059037499	-8.843137868116502	-8.128631144340801	-8.489692501160958	-8.468738176077993	-8.649226035489969	-8.356914308060565	-8.571317275027306	-7.199912142436743	-6.869297604509561	-6.747081521604695	-7.0670266410202025	-6.545710160017199	-6.904474109947253	-7.41089466056447	-7.16097362310502	-7.240312872192143	-7.331275795265582	-7.1655666481674505	-6.82744149773882	-7.288933781091738	-7.088327064289794	-7.122995074565226	-7.445741325487451	-7.088088296975623	-7.124011214151178	-7.193439027076674	-7.576520923399784	-7.0964348993146515	-7.52902249530882	-7.130859358862004	-7.598894486367538	-7.190144148137269	-6.892394090470092	-7.351446749434926	-7.359385758880419	-7.336193951892876	-7.388439419356431	-6.122579757333367	-7.379867930380937	-7.437987799287453	-7.0955875637376025	-7.297445538352326	-6.677013454573691	-7.42014946984985	-7.6632244242479794	-7.128572343321387	-7.218446695840257	-7.130414702858768
203.068	Choline phosphate [+F(-)]	cpd:C00588													0	0	0	0	0	0	0	0	0	0	0	0	-4.918067065145694	-4.854395765116025	-5.214459818476429	-5.109814516834509	-4.965895184355422	-5.1799563090750995	-5.209659231647857	-5.101334187068759	-5.291423522332584	-5.335550000937822	-4.982859259961538	-4.802688807462818	-5.082739113409675	-5.03147707044323	-4.975875954166085	-4.616505680964164	-4.206604982802595	-3.990218308840779	-3.90062576858674	-4.188038494600412	-4.220735047230992	-4.582328909230879	-4.357496391433041	-4.369201848374731	-4.0361291906199	-3.997039665488712	-4.364068068738523	-4.0083963067300985	-3.866197849774045	-4.689086689059448	-4.169737646470183	-4.435091497847366	-4.1630507830884875	-4.7230568074671515	-4.347784479281042	-4.140260219673636	-4.048532099449936	-3.915412360442375	-4.093831330321227	-4.327238424117141	-3.8421989033255723	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-5.334215420816987	-5.389337579086811	-5.408896455408827	-5.149597336133684	-4.784443510987225	-5.005252676872346	-5.084590263212057	-5.364260522795138	-5.406338064187697	-5.403777249411045	-5.17053631275229	-5.275719894490326	-5.345076205481373	-5.741757009515153	-5.012157675644084	-5.667925680862214	-5.204964947652079	-5.778030752662802	-4.54190228466747	-4.923953836309577	-5.659464046360399	-5.452847452669783	-5.071426920127301	-5.212352707461834	-4.881947779372496	-5.039299867660582	-5.001900895794861	-5.11258373617444	-5.1388566543772125	-5.111989158878292	-5.02170430953457	-5.112266530487084	-5.206032940029807	-5.552628832281576	-5.128756807830975	-5.118397747532512	-4.950844925834398	-4.833590204219574	-6.402780844630528	-5.76433150172407	-6.058526336103964
203.082	L-Tryptophan [-H(+)]	cpd:C00078													-4.607513819414225	-4.6145252059135435	-4.621508229270268	-4.16828141980053	-4.359158009190405	-4.079915991546025	-4.2016916272048865	-3.8676229859145543	-4.4384889804780885	-4.371911842634761	-4.784976189134247	-4.12769258712478	-2.992562253106676	-2.879620582527776	-3.067500463004526	-3.0868021399446235	-2.8384107345809517	-3.0926017824015433	-3.2274664276314433	-3.086937146192183	-3.3532338920689115	-3.3358720772809627	-3.0387753174222643	-2.9897122530830864	-2.8841577266301313	-2.967260156330511	-2.9746509262103253	-3.645308254777318	-3.820904024237313	-3.7184261073113194	-3.2001876640133906	-3.8987820576666348	-3.41007023159055	-3.8277589522365965	-3.959393398901548	-4.012870799850534	-3.7216238335354306	-3.469502494910566	-3.6280867056104604	-3.824798543880533	-3.6540572496765926	-3.6145291439111897	-3.8308410880119945	-3.6090566443177194	-3.2768596268402383	-3.738079709705235	-3.509019409224289	-3.4326754868651665	-3.369046737741935	-3.4344249240943507	-3.9273560250747788	-3.8935508910345678	-3.783505472838741	-4.260128757493638	-4.23044167808076	-4.330932980590442	-4.207535345937547	-4.281425846183728	-4.328175281868805	-4.218935200849352	-4.248977064296412	-4.253299724668789	-4.45966199651598	-4.75304189087225	-4.547722440556303	-4.295691443613112	-4.251819952713307	-4.52419902323368	-4.279187410747839	-4.193376553858601	-4.208440021130113	-4.194757028273168	-4.161234536628852	-4.155280728099654	-4.241768979362586	-4.184430350348913	-4.2516157816508695	-4.338242214563153	-4.275441549606091	-4.258453757151618	-4.183714172892762	-4.339165716264708	-4.179123552202134	-4.237343990457818	-4.184526810686906	-4.29678845159195	-4.286877524265042	-4.328598113496466	-4.10513544188621	-4.028643425297111	-4.064696239398733	-4.409531860377165	-4.01328291918684	-4.323368464707954	-4.275184868215918	-4.089479289972954	-4.053900221163042	-4.126403631289552	-4.315134365524832	-4.227956367856613	-4.482299804498681	-4.211380107724878	-4.349240378891059	-4.217642990681585	-4.394417209587419	-4.27842611242292	-4.054612341905025	-4.299993496655354	-4.497620184299373	-4.380555333362613	-4.487950468080755	-4.46778135468755	-4.2537890518553665	-4.415093395477508	-4.312130454174237	-4.313321120128824	-4.252326145870003	-4.0813279480417295	-4.378699792248131	-4.23867255652878	-4.433595102084164	-4.247233703430254	-4.325020934773041	-4.393791074978956	-4.348225402325737	-4.2800701562799555	-4.4526753013304665	-4.420378084415174	-4.426112696454658
204.053	Lipoamide [-H(+)]	cpd:C00248													-9.485178767989781	-9.286512567632581	-9.287989331474437	-9.308722487656464	-9.085106193942178	-8.97368187335786	-9.256014812037913	-9.414836239656978	-8.895521723700055	-8.670591835460009	-8.990595336372838	-9.329002550059291	-9.070099869462075	-9.267211331754755	-9.395449147755421	-9.185856119796744	-9.229205185151748	-9.168703788660507	-9.33071770916608	-9.128188486927051	-9.30337406975009	-9.449168779167943	-9.177420341548869	-9.590702257943997	-9.324896379206368	-9.527000190801775	-9.352003430559476	-7.938588814114428	-7.913539514892783	-7.917414567922113	-7.811699200059825	-8.050582891865071	-7.890493613154666	-7.72455091802293	-7.829475302948717	-7.802618473546439	-7.8358931808777115	-7.625935111209027	-7.821159398919951	-7.916289179828024	-7.841782965805213	-7.783501601173241	-7.713754761217028	-7.491847344723579	-7.986203302431931	-7.820780199981243	-7.698339039532581	-7.834512183483592	-7.5443325928574	-7.737483855746767	-7.7698064956665265	-7.808054998217569	-7.726085531494118	-9.269339313959401	-9.29285649756602	-9.22134192069667	-9.396740774479726	-9.258622609072244	-9.586833090244092	-9.454966725076442	-9.809644111398383	-9.748370602109823	-9.26079105479678	-9.571311952731076	-9.676867025172921	-10.090112991800822	-9.786890780012627	-9.793603238178935	-9.6218333412074	-9.01039360733229	-8.923009740352763	-9.386344994515477	-9.099136423829375	-9.198381893775835	-9.483207215259881	-9.316776502742675	-9.397274685857935	-9.43532440678783	-9.363471448298483	-9.456929617059679	-9.354554594883002	-9.337518615317855	-9.260033802169893	-9.193873086975017	-9.16316410660308	-9.394761563100852	-9.373578833123696	-9.361763542809836	-8.844571157109252	-9.039334266830542	-8.608582462663362	-8.634610680091935	-8.149405014833969	-8.46109862427776	-8.854020651987083	-8.992060561885435	-8.990119430629761	-8.88178004285977	-8.819770856318438	-8.566308400161711	-8.68894730343745	-8.557631558462624	-8.816628752972285	-8.6940232549771	-8.489609614363232	-8.699949762603861	-8.67618755154776	-8.82400192746071	-8.577916969503695	-8.77656328888116	-8.444148616824645	-8.734430636769508	-8.603584118427907	-8.397687917469677	-9.089645588216682	-8.938346372366842	-8.776784488183752	-9.225075016357863	-7.569988215657454	-9.005415922349492	-8.896300489435134	-8.671615801377335	-8.850726751955662	-8.212198490516688	-8.798580214190961	-8.854926485518945	-8.76189843014313	-8.62538202885738	-8.805683167425368
206.068	Dihydrolipoamide [-H(+)]	cpd:C00579													-8.729750798010423	-8.754171917313458	-8.71951499039065	-8.640486897184065	-8.596469098903487	-8.168420120322033	-8.463808886602695	-8.433847161240696	-8.077728926981345	-7.664203308262891	-8.968256720165467	-8.542960448687717	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-8.341990505190584	-8.373798893280497	-8.181662498845858	-8.348084284846994	-7.778051923763614	-8.101384853681887	-8.305767427447448	-8.3014779627036	-8.454214904663685	-8.247463965635452	-8.279715277414184	-8.191998524741884	-8.364126510359519	-8.350713283032574	-8.259453957645471	-8.321819716031758	-8.200443658102156	-8.30066086536778	-8.22996200518615	-8.52630974342827	-8.194489580344362	-8.410846257804337	-8.192477168361009	-8.389385212761923	-8.152858788967707	-7.955939967271028	-8.407066719792212	-8.403491334228493	-8.428085702163514	-8.353068466310418	-7.419774994251743	-8.335063617869535	-8.374785033380457	-8.302478787576439	-8.305710235398928	-8.050450434803977	-8.60230714322554	-8.431151921746945	-8.47000092024323	-8.53240944965806	-8.42979748840686
213.015	2-Deoxy-D-ribose 1-phosphate [-H(+)]	cpd:C00672	2-Deoxy-D-ribose 5-phosphate [-H(+)]	cpd:C00673											-8.73535415680088	-9.325714492655296	-9.157301721366675	-9.076421246509879	-9.118347523790575	-8.991947879456154	-9.222166449337243	-8.791360121515062	-8.945255319960484	-9.28413265680106	-9.378628939167841	-8.997333387880964	-9.628903610582299	-9.158288444609889	-9.280188668822712	-9.618101400818169	-9.644054089142612	-9.070587964134816	-9.254587777285051	-9.23657070336447	-9.319258469070538	-9.282408244286504	-9.54681254950609	-9.538835578466271	-10.115371335181752	-10.19342831967573	-9.610058755210407	-7.956329637533676	-8.210161036008593	-8.218011821965705	-8.10515669381029	-8.234920638815458	-8.061855576492537	-8.121196051734637	-7.945925731801327	-7.627790946702142	-7.644836712507191	-7.472343024951297	-8.391920872639906	-8.225073260969616	-7.9110998008289615	-8.125152116944575	-7.881491477281269	-7.8478138555940715	-8.363085994576188	-8.040607434414383	-8.379956853673553	-8.258717931443659	-8.161958707353056	-8.347238866968683	-8.305931690353805	-8.123971775073933	-8.205380428941297	-9.839702186450756	-9.842868938142036	-9.920539029466797	-9.626603096993554	-9.497510723508167	-9.648018796001981	-9.186770807984292	-9.271132700413528	-9.325650203972865	-9.604127954190794	-9.59134391255864	-9.53902793465607	-9.727583595587248	-9.579849954428605	-8.911686235020397	-9.860988015338346	-9.397969874752992	-9.574698019244915	-9.399089682532855	-9.591657696832483	-9.53491001899803	-9.687964281802227	-9.659685919799987	-10.023248852517185	-9.557861242447547	-9.770805391302398	-9.621794239678131	-9.427262932704897	-9.440529588250952	-9.534112903997597	-9.465816685146503	-9.692006364855802	-9.780455816734255	-9.688606207653422	-9.816310047446912	-9.976627520131526	-9.957411764975225	-9.714813403333887	-9.382041124818025	-9.204890107876677	-8.703767366061792	-9.493195852292718	-9.590143992438547	-9.696624127620055	-9.883005422004645	-9.45438861583302	-9.534114391051881	-9.488609561158311	-9.562840597261408	-9.51738649663872	-9.665304492198057	-9.13123752287299	-9.605558758907861	-9.609645468066846	-9.65508712551346	-9.0093594142974	-9.182697869693289	-9.356697925618683	-9.908817862114605	-9.406289581237557	-8.915440953260788	-9.796718521307236	-9.195989039372725	-9.125009138349657	-9.526843732973298	-9.291503523562517	-9.644087859196619	-9.610391097243888	-9.678705529837696	-9.802549198077303	-8.982348299418828	-9.556915220120192	-9.95124076622014	-9.328005788708397	-9.097223637545985	-9.349746290791469
223.086	L-Tryptophan [+F(-)]	cpd:C00078													0	0	0	0	0	0	0	0	0	0	0	0	-7.315183571275581	-7.238380442929338	-7.404421133831954	-7.161236756766983	-7.049638043832773	-7.142211804158817	-7.469543976307141	-7.193206857593169	-7.4284364613149645	-7.553286311361991	-7.7368412552045225	-7.693867707360646	-7.482222786790028	-7.544489534114518	-7.430078414120906	-7.082397306056656	-7.389659129949556	-7.092886709465496	-6.464736615828411	-7.201789284681489	-7.026797472445669	-7.124388139661187	-6.70316043227888	-7.117083097433085	-7.074868530201229	-6.881761565919116	-7.050877950021098	-7.184217947211445	-6.552201424606698	-7.429816890517341	-7.4045634483897365	-6.791924869401188	-6.787005607636015	-7.101310454058779	-7.071266042356206	-6.987397429960047	-6.994958814714362	-6.743383232519133	-7.331122491609156	-6.957448142792922	-7.000983284519889	-8.899859124771888	-8.84615839320765	-9.091440026353926	-8.978487990407794	-8.86129614130578	-9.068409887657477	-9.132531443442602	-9.135945711005375	-9.4441774876295	-8.758817509870315	-9.119578688793442	-9.11117981419389	-9.732214617999821	-9.55200230279422	-9.563797999740913	-7.4907842128996265	-6.919795493598781	-6.941621688173107	-9.104098580525456	-8.998719608058032	-9.095333687219188	-9.189482034082774	-9.062639493582825	-9.13904398522499	-9.117407369698661	-9.201457721442248	-8.936346701600565	-8.914160960160203	-9.169019142869136	-8.77177761206389	-8.871666674767685	-9.01849018228647	-9.028644228243525	-9.131978518401112	-9.199299891524067	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
224.057	Lipoamide [+F(-)]	cpd:C00248													0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.836327833891425	-7.635091233360895	-7.845314205847473	-7.498588547443936	-7.774820188636131	-7.685330548468318	-7.4191523401238895	-7.4804911222872805	-7.598363871609383	-7.665571702920008	-7.401217045021723	-7.583690928498866	-7.56974604236239	-7.530345677325529	-7.478266306656742	-7.28787904635979	-7.117430057166256	-7.700897623304092	-7.346699859058228	-7.39088574652135	-7.478618514261454	-7.374892647917489	-7.520080749650911	-7.502944971829338	-7.391000287788336	-7.438168367638315	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.1804708259069825	-7.636669547920633	-6.802453860121823	-7.408002287305186	-7.378956219089954	-7.605940036420661	-7.706483489954032	-7.644286927576205	-7.981409060636597	-7.998441926539995	-7.045000227013752	-6.765714017810788	-7.192203885629883	-6.972744044199055	-7.172116691386363	-7.082254860601164	-6.898887417921965	-6.77303854851566	-9.22646739915185	-7.631637837141671	-6.652876998494569	-6.9288129422504765	-7.114570599931668	-7.2784742779886225	-7.928316149975018	-6.880854549491077	-7.726148994064609	-7.552881822869036	-7.573951959599072	-8.206426336089839	-7.670552999585752	-8.317231250698415	-7.518489296537502	-7.65106598940079	-7.312823019003542	-6.901519717256271	-7.784168447489614	-7.985317044672588	-6.702000315881294	-6.785592807638465	-6.514496645309818
226.071	Dihydrolipoamide [+F(-)]	cpd:C00579													0	0	0	0	0	0	0	0	0	0	0	0	-8.259599955412273	-8.439975353736154	-8.537591234001491	-8.338497571650361	-8.2213973504168	-8.04004475724465	-8.342085199550242	-8.143400224377798	-8.304381093299773	-8.299521375316404	-8.51428545745435	-8.53948925293463	-8.645654854610012	-8.538615685830973	-8.531015156264413	-7.484512723980945	-7.284575424766598	-7.3187488948603985	-7.129529225685377	-7.373159811830425	-7.256770996073396	-6.991062997210882	-7.1298318924835336	-7.314346820172868	-7.2079028346868155	-6.93584359377859	-7.210059648183542	-7.385189910912337	-7.108689776434274	-7.231561873421005	-7.059940463723103	-6.630602611740554	-7.2019362645503895	-6.9706659276252605	-7.115845958114771	-7.037674907605899	-7.005783955378901	-7.120038645931903	-7.2561012438526475	-7.09615265396063	-7.144827022199053	-7.612929871421298	-7.630334962186832	-7.341122700266668	-8.541167748693637	-8.653328711850438	-8.914631325421876	-8.75562437505376	-8.871277794794462	-8.705936387870995	-8.140785630980039	-9.02302266342114	-8.867171437590313	-9.014884516994655	-8.910748756326917	-9.087345548486077	-7.169506780512976	-6.021694760824106	-6.1532024185443355	-8.979952583476347	-8.615597488916366	-8.813787459372493	-8.815318495150347	-8.372313802284074	-8.78011684380789	-8.828240726727698	-8.699757939251638	-8.736900008883874	-8.505827065129738	-8.873856180402347	-9.000826843266578	-8.893557196690919	-8.780164471326936	-8.818234632964643	-8.958712423907185	-8.650282481496975	-7.678524021501046	-7.6906172180847685	-7.306749929376038	-7.731719536180897	-7.583640999403193	-7.76046311120058	-7.862392119705137	-7.88750768854054	-7.974024190614775	-8.078752416150225	-7.61584123814808	-7.343835593626234	-7.737989892993798	-7.468113036762119	-7.6556854356009545	-7.718934321382701	-7.477338172644787	-7.4109299722755235	-8.238948750334707	-8.07095263090957	-7.448482302862541	-7.5898293443126414	-7.651466721752785	-7.89552856886326	-7.990068384731514	-7.412702714092086	-7.970710320330047	-7.919546986895874	-7.87129267310591	-8.244295610011068	-7.195070754196618	-8.018398085217882	-7.895230168097628	-7.787211870008774	-7.755030420226103	-7.330458600488863	-8.138637026913596	-8.128850763550941	-7.427972604231743	-7.436162236693538	-7.220479931377339
226.084	Deoxycytidine [-H(+)]	cpd:C00881													0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.263844755775902	-7.276528387841838	-7.032398061934535	-6.712463336744584	-7.147366375248117	-7.118420113874103	-7.130176925474036	-6.9284501106860725	-7.281628968602306	-6.997467825173395	-6.853763435408892	-6.9857487256331385	-7.302130063021254	-6.804806524876031	-7.157924118957519	-7.127682242200591	-6.808239402358655	-6.946564890117692	-7.135884696462405	-6.982220927978893	-7.074695807023589	-6.899346247007562	-6.842788850469819	-7.07733648170884	-7.1123569096279935	-6.9364657235093	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
227.067	Deoxyuridine [-H(+)]	cpd:C00526													-9.224172375849285	-8.993483006373829	-9.159998113870888	-8.646934247340903	-8.868560180649062	-8.77540142718643	-8.835377926315019	-8.713339839074777	-9.00492268631871	-9.232662503913067	-9.287788914252456	-8.915134479065685	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-6.908399325983567	-6.797535179046572	-6.7665411476902495	-6.679693716810515	-6.767836643940965	-6.937374496170687	-6.590913805425481	-6.6383794686995135	-6.631815344066214	-6.537553189761682	-6.400178227347711	-6.791864313455657	-6.61779011028993	-6.590011325456839	-6.854247838551322	-6.6118549842832754	-6.322881749643384	-6.758961433567745	-6.602769680755428	-6.762783965805107	-6.814966097829851	-6.532624608110316	-6.661844379115841	-6.698338007616858	-6.5830247393375005	-6.600382995391644	-8.117973057025278	-7.937060995641027	-8.037435234187344	-8.139559844372343	-8.202494977596006	-8.27476864676865	-8.478853337118725	-8.613034337600954	-8.73212343235689	-7.983572608068064	-8.473022734091874	-8.536647962656136	-8.450216611059538	-8.6351192513229	-8.475975254169583	-7.237952405881181	-6.3228550352488755	-6.431036958176775	-8.252570718611196	-8.249409978271194	-8.325241567306328	-8.26662288413583	-7.98297504301112	-8.400217862159382	-8.311771754001853	-8.25357775545188	-8.261424636225554	-8.354844717738887	-8.383188732496958	-8.130846347909168	-8.27990847419329	-8.24581029809058	-8.215048324039898	-8.302132215292001	-8.28901667989855	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
229.012	D-Ribose 5-phosphate [-H(+)]	cpd:C00117	D-Ribulose 5-phosphate [-H(+)]	cpd:C00199	D-Xylulose 5-phosphate [-H(+)]	cpd:C00231	alpha-D-Ribose 1-phosphate [-H(+)]	cpd:C00620	L-Ribulose 5-phosphate [-H(+)]	cpd:C01101	L-Xylulose 5-phosphate [-H(+)]	cpd:C03291			-6.962318255653459	-7.22605523501747	-7.159532470802628	-7.517222801043461	-7.632580916199023	-7.4417812340855525	-7.607585383284071	-7.769250601608317	-8.23099985322455	-8.810907965276712	-8.687351389623275	-8.671759184794606	-7.020522416063007	-6.903758078930442	-6.890630315532892	-7.333563530395242	-7.186729389693502	-7.284126945270672	-7.234271178415712	-7.462600838860349	-7.846026008826006	-7.313387733259138	-7.021248235389841	-6.437370140169294	-7.564826655599737	-7.292151339910407	-6.5383228123118995	-7.321444264173008	-7.235769044134782	-7.302148812998036	-7.0127490107777595	-7.649741035679655	-7.056505130578597	-7.114065879895665	-7.360740384504421	-6.738026888492304	-6.365773830414898	-5.705005467936909	-7.2985311007513065	-7.348281410275423	-7.45685715475288	-6.93245196351181	-7.0438013402312505	-6.785483098304551	-7.1594718904691454	-7.0604290800009135	-6.965903823097138	-7.064033652011236	-6.776546581605198	-7.298627497983794	-7.411758307454661	-7.25795976473343	-7.38039715492793	-7.525790698862437	-7.404300494216033	-7.553922648363681	-7.066259022286276	-7.020415552626171	-7.182983809480059	-8.310440344451402	-8.44509157616546	-8.25798936283007	-7.128830619749666	-7.555292777056095	-7.444148197390309	-7.179084893110406	-6.731158400630748	-6.584634118297256	-7.2164006900277275	-6.687412906066086	-6.683610072422682	-7.121517918133942	-7.249937518539872	-7.543185558955567	-7.857143475116783	-7.083600892583581	-8.000984314359284	-7.8584021636034915	-7.903593860425818	-7.828866606274974	-7.764960215378779	-8.01162195125556	-7.017531237547242	-7.286155741006667	-7.558116206660293	-7.6560087855815935	-7.711785726778797	-7.917654755521774	-7.677020280941381	-7.695458392643572	-7.658236016478301	-7.520446070377055	-7.321880907489996	-7.486966429592589	-7.967420822274773	-7.921914098448821	-7.973490633922192	-7.484477762208753	-7.905229455074957	-7.87344584720317	-7.780776519926485	-7.521896775972995	-7.576963110685913	-7.542767153943504	-7.525658140052776	-7.595651709169609	-7.329423794082355	-7.5672335074051	-7.64128453346642	-7.883602665057721	-7.8641863226861854	-7.953550385225306	-7.779441040000652	-7.396632610440651	-7.921859282176165	-7.402419402618969	-7.5610066706087675	-7.350384981187144	-7.38864460704377	-7.493648768388444	-7.545206581601855	-7.656472209017814	-7.57695825962274	-7.331486677835671	-7.56243492991695	-7.561141772717396	-8.119929083145598	-7.756341322923284	-7.715302430424532
241.086	Thymidine [-H(+)]	cpd:C00214													0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-4.295369201387719	-4.173949436709929	-4.16936292346011	-3.8416485621364957	-4.267705176220437	-4.05427267448142	-4.266802475796428	-4.417189390267214	-4.568514032704374	-4.178147067009935	-3.9678718455425717	-4.112180392694606	-4.138917237543913	-3.9789689496177876	-4.217036580228271	-4.198315657360569	-4.044501921660352	-3.933942075829508	-4.437730898588774	-4.072339004783015	-3.934494133788103	-3.826438801008571	-3.9463949272031265	-4.196067317362235	-4.47850673507191	-4.055457482867282	-4.966504405302714	-4.584747204389127	-4.639693910004702	-4.541749199682966	-4.5758950613088984	-4.563694974820744	-5.3896159420847	-5.523773036251148	-5.303898478647779	-5.201880234058585	-4.915944082341775	-5.2285959733010845	-5.658364619462064	-5.153790746544508	-4.9007139624646845	-6.0803769081347	-5.945830674654414	-5.977396761480188	-4.699715086124544	-4.894847120324323	-4.881123339207153	-4.970807468341706	-5.118425566507529	-4.927371875914265	-4.639198167320139	-5.002306410449225	-4.846491972220256	-4.8238586149240374	-4.758810108906379	-4.372466066247819	-4.67314992215113	-4.789526210663704	-4.559774099285456	-4.637077123433378	-4.778252492473423	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
242.079	Cytidine [-H(+)]	cpd:C00475													-6.751580208021078	-6.5209681793637095	-6.474214083179784	-6.5553934292332166	-6.717978386239341	-6.567610303920026	-6.558451594857181	-6.55668374661969	-6.773109898006149	-6.748054479735836	-6.702588978063638	-6.68892631457553	-6.41547250393551	-6.598338316764023	-6.525959321235232	-6.580641217916371	-6.594068996747413	-6.435733083878916	-6.440869009908926	-6.502279822393093	-6.680947099684485	-6.522223565833163	-6.514575032368901	-6.497046393382554	-6.6955574378866345	-6.513438825824145	-6.601078671025082	-6.041995535133149	-6.064603176631157	-6.05581450066248	-5.787125236966765	-6.29796446701306	-5.895391375846465	-5.986482046515804	-6.254392439271576	-6.309355406651073	-6.073547638422953	-5.892576232087294	-6.083781895728422	-6.138945327226063	-5.9894750921768525	-5.886146686612646	-6.091849757662354	-5.738010292847466	-5.935094216005103	-6.115523314696514	-5.911292447972555	-5.813889149369606	-5.6629129616420935	-5.836315114137174	-6.024402923409339	-6.290986413554648	-5.952782570822759	-5.982821994302465	-5.718322709947641	-5.84520231662905	-5.705317547890607	-5.74308068664039	-5.661670747211525	-6.673214506639639	-6.886057120831944	-6.167117922879361	-5.986180961729549	-6.049640829459031	-6.241363758962676	-6.1236167833718635	-6.383513272386773	-6.3413854570567025	-5.940644089949142	-5.895773867360946	-5.863098466905054	-5.772356045503078	-5.72885304726958	-5.716817764348403	-5.905761690271961	-6.328481686296805	-5.875866127157811	-5.693068116537163	-5.957874734518721	-5.738630101414736	-5.937333152556759	-5.633868825591904	-5.602097965097331	-5.653017139244637	-5.6635858460245805	-5.501981509723213	-5.9483739909197615	-5.6761781655353625	-5.7582670985073	-6.091888401866901	-5.727344015352502	-6.123776756232165	-6.151194159630392	-6.297110252860743	-5.811043558772581	-5.684753967882196	-5.97075511105949	-5.76056338334869	-5.6573941986550125	-5.559842825341956	-5.648856213327791	-5.691148594183022	-5.781715469556396	-5.556422332973952	-5.606977690108233	-5.616255863390241	-5.711212234684343	-5.9902196784697255	-5.7595374526491545	-5.637912695718304	-5.865753398131084	-5.985147156854421	-5.810448122903623	-5.836699902662693	-6.018727772749112	-6.044181816905557	-6.010128909405217	-6.039442633694758	-6.198948593151347	-5.843193297905299	-6.064672507605231	-5.981737748069399	-5.95173999757132	-6.09815130379939	-6.108888899748358	-6.0402413573128815	-6.223067279556376	-6.299663771145377	-6.333128487977912
243.063	Uridine [-H(+)]	cpd:C00299													-6.223484388857314	-5.988385611585248	-5.98709588299033	-6.040510639608905	-6.206737918740682	-5.973741482927705	-5.807256421195592	-5.940763412807787	-6.138205770512541	-6.069913706605056	-5.701598169467071	-5.887769775338444	-5.74375478096458	-5.924913489780919	-6.070791989138965	-5.93582982533471	-5.930227971509266	-5.964553450443812	-6.1031479090706675	-6.064934421672745	-6.291412120326404	-6.25434060213221	-5.564659137804963	-5.632818084899035	-5.783397596332986	-5.798215228077917	-5.882185197258946	-5.297718247827698	-5.266467232869292	-5.155829182256776	-4.823234759797165	-5.286111187797973	-5.064409293692538	-5.183460709961812	-5.469099222164929	-5.304848133550207	-5.165951656367286	-5.060819421819816	-5.096692610588027	-5.029949133184694	-5.082208737855208	-5.368497623238047	-5.385377512749402	-5.172778025901645	-5.214446321671126	-5.473697683545253	-5.3283296143264165	-5.152217600764577	-5.030957857222742	-5.171178397788578	-5.043092833706297	-5.234673772300651	-4.89642578526277	-5.153631001430693	-4.8890758510186245	-4.997636987249971	-5.087235342850894	-5.19111483505716	-5.1544463082670005	-5.579739072114968	-5.8179368141899905	-5.676304229249976	-5.47431113231169	-5.570101793416544	-5.588710737372169	-5.16505104202394	-5.427906427988208	-5.565167651916509	-5.083000466672953	-5.036394333859999	-5.03545973004348	-5.156483215110736	-5.192401439697551	-5.178295281036247	-5.3738362635549315	-5.474855299151795	-5.4711816931434045	-5.353323474683086	-5.491313814955399	-5.294512090222283	-5.337780667192937	-5.3031850054716605	-5.141746593376248	-5.17142937998596	-5.231470962580849	-5.046049436920899	-5.147117084002389	-5.202234117197147	-5.215069726184995	-5.354087078225122	-5.272035320365255	-5.86815420309672	-5.6194739181442745	-5.672585378332649	-5.695798346055186	-5.591385902979963	-5.609542978358284	-5.609011254809174	-5.707558636765404	-5.627679615928982	-5.716780373662848	-5.589380046887396	-5.651462138671191	-5.5305751719835285	-5.644234721505419	-5.580592259102076	-5.260618164261065	-5.672188842192354	-5.7483326885642985	-5.724621178750669	-5.590620486974347	-5.743308359745578	-5.45491918636023	-5.502863858912842	-5.672755706195441	-5.731519328208116	-5.717951674151986	-5.5487142919024235	-5.367985101381911	-5.646374736191476	-5.616070462516911	-5.850867734160464	-5.866279401344002	-5.84362354177261	-5.558233174447636	-5.55585522133828	-6.190424707417267	-5.865435369386166	-6.294157327784833
246.015	Pyridoxal phosphate [-H(+)]	cpd:C00018													-11.632200082392611	-11.737395437771248	-11.600580127662386	-11.356163927185676	-11.51227578270739	-11.193316039085989	-11.237703928668264	-11.281864371211785	-11.236717578031675	-10.676170689674676	-11.13134961463297	-11.327951487031822	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-8.40491618997485	-8.980503621251735	-8.368606348898147	-9.030244493264107	-9.574762578326268	-9.651144474548808	-9.04815810916848	-8.95015047997734	-9.495002937353933	-8.952784292419159	-8.614985163291976	-8.46875718531352	-8.368902172348518	-8.411238203906956	-8.80333563546294	-8.288214222665369	-8.488166815499852	-8.232695387569224	-9.579931753283185	-9.359956134727703	-8.561002049922687	-8.498085439511925	-8.957988703722117	-9.02717138975078	-8.99005961220247	-8.536069062577951	-9.619921129297273	-9.409312150603709	-9.074971554920305	-9.522108677433373	-9.25741454354167	-8.833010916538026	-8.82423044421224	-8.81701931938588	-8.880369354472434	-8.726216925367655	-9.965351566040114	-9.8736287560623	-8.136021385666776	-8.656925535271025	-8.349780575451613
246.088	Deoxycytidine [+F(-)]	cpd:C00881													0	0	0	0	0	0	0	0	0	0	0	0	-7.299788171239971	-7.193008939402085	-7.261825312106548	-7.095008335762057	-7.042678539130467	-7.014132474545587	-7.37627226101996	-7.05455427065631	-7.331695646763699	-7.432024097255925	-7.713062646304202	-7.652486545008275	-7.584429713390727	-7.358858991346924	-7.425908785754666	-6.747118530924195	-6.5390804346914	-6.646401422393259	-6.414360932711864	-6.570041151098134	-6.674531499766313	-6.696682404285402	-6.4160398996367585	-6.557977028265128	-6.4784424368906	-6.317728207591403	-6.506863930466117	-6.522774641063315	-6.240143377754768	-6.95726352533521	-6.618178895258791	-6.4027890990448055	-6.509156579797526	-6.838375217923279	-6.5324093394690514	-6.497431441119824	-6.526041723588971	-6.27073134072037	-6.5884105103777735	-6.560044500536124	-6.431943947914683	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-7.251181042166149	-6.888012897669656	-6.8278003398989275	-7.304725047221488	-6.900721537102736	-7.148291762709559	-7.308353495322868	-7.116277910873834	-7.189645849352213	-7.289713095547341	-7.149634223652372	-6.894915308030023	-7.304533028016488	-7.136121197938008	-7.235656667527928	-7.310458308275846	-7.260705344971084	-7.312809073024429	-7.072495761372136	-7.497447147385445	-7.2422565241698384	-7.498747394879043	-7.339575074530834	-7.423749876126789	-7.021230558262344	-7.087644826970641	-7.232996294375487	-7.231578043516775	-7.183478282191772	-7.231204719410968	-6.689557779363338	-7.272776793014154	-7.373990118779747	-7.0225516481874175	-7.301493851082341	-6.947947555644721	-7.403489338512889	-7.458441568192984	-7.449499155222084	-7.352855884652562	-7.484042831763904
250.094	Deoxyadenosine [-H(+)]	cpd:C00559													0	0	0	0	0	0	0	0	0	0	0	0	-6.4077664333546105	-7.044728512867112	-6.389550838752926	-6.419513944768786	-7.176246621454875	-6.699820123855524	-6.659444823391646	-6.818866310076736	-7.162603159443095	-6.537135588772351	-6.266231990577906	-7.430543742124462	-6.857753586073189	-6.598443110115639	-6.2543064605752585	-4.096403145406528	-3.797303510486054	-4.113961225107965	-6.139037003826144	-4.353383519195166	-4.017802511003464	-3.3555776375082105	-3.8061581544481355	-4.938054126866676	-4.10497237566715	-3.990216680054282	-4.086354231270634	-4.39914844265567	-5.837822125026278	-2.2984364316385157	-2.850234952670175	-2.7698994308504554	-4.8599509567195724	-3.2898480146509215	-3.396909661053676	-3.9079431467204477	-3.4686399396579675	-4.390211742458491	-3.194022982755238	-5.001134663166861	-4.102111907325622	-7.5805058968225145	-7.713077225247253	-7.820632932286581	-7.192130471771662	-7.253500147268154	-7.233600422770055	-7.903808543928455	-7.873761469818752	-7.892387964934656	-6.669149890255043	-7.051271359713011	-6.5069853600092395	-7.215056897334382	-6.938892894672902	-7.352541450143073	-6.858044241695746	-6.886709936685395	-6.559058073738917	-7.784290665072723	-7.618521434958117	-7.766397690425442	-7.405231905825622	-7.309729796496596	-7.6353875286712025	-7.4656437224693155	-7.13553963750841	-7.400059664335924	-7.38879074409817	-7.424666327703583	-7.413940984742568	-7.460514049192014	-7.5708696542925455	-7.282071351757928	-7.714086749289361	-7.836547864430413	-2.42083986927837	-3.3650785642419807	-1.9919018440953462	-3.416005367437351	-5.710985915652755	-5.968050409326718	-3.153035722682468	-3.1048066176074856	-4.542710940284229	-2.9844888907352383	-2.2911793872605486	-1.9700299224945126	-1.893740789275195	-1.761425920517681	-3.0045926060215358	-1.9126359860488182	-1.892323213261376	-1.7660204151892196	-5.012975399061176	-3.8935243020409804	-1.4185569759572276	-1.6966146745894186	-2.3723792451445864	-2.890224481397738	-2.931424238953222	-2.8165995321292874	-4.59427778920638	-3.7372537313611813	-3.494925672707133	-4.908650136656066	-3.2822284499117584	-2.975035775155338	-3.253522152414924	-2.7721136201454257	-2.7960070425309076	-3.147622378713699	-5.092297642492892	-4.706072445275565	-2.6317675031592747	-3.9153823220250734	-3.2868279394701063
257.104	sn-Glycero-3-phosphocholine [-H(+)]	cpd:C00670													-7.6055717188598235	-7.712841419641024	-7.736184193586254	-7.5507510719726545	-7.3707176564461	-7.380511731312689	-7.209851721902475	-7.177677001704441	-7.43453296767216	-7.352579782549612	-8.118094449446104	-7.316193189498142	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
259.024	D-Fructose 6-phosphate [-H(+)]	cpd:C00085	D-Glucose 1-phosphate [-H(+)]	cpd:C00103	D-Mannose 6-phosphate [-H(+)]	cpd:C00275	D-Mannose 1-phosphate [-H(+)]	cpd:C00636	alpha-D-Glucose 6-phosphate [-H(+)]	cpd:C00668	D-Fructose 1-phosphate [-H(+)]	cpd:C01094	beta-D-Fructose 6-phosphate [-H(+)]	cpd:C05345	-7.25499835935152	-7.420356553758224	-7.769504434239958	-7.774039973021175	-7.745049157703819	-7.521712514432637	-7.783233573522584	-7.43838681039185	-7.869026900943981	-7.915335375428662	-7.9896707970596035	-8.127010834099577	-5.190080122628677	-6.073675241443215	-6.137795500879526	-4.928244243878041	-4.341789999829207	-4.141878640217103	-5.821513212823525	-5.319903439613301	-4.524651476532704	-5.740407074205692	-5.426619721956519	-5.948432398413105	-5.529211666465372	-5.533280768454979	-5.937590862909771	-5.782866012060461	-5.375870498893203	-5.744093347366297	-5.806650639001133	-5.842436794019793	-5.674484351234565	-5.598307605515483	-6.168365819906369	-6.019337994145198	-5.739295789248365	-5.622509592059917	-6.145322164459852	-5.810071689274265	-6.066433366133051	-5.184301842454495	-5.0990182508270365	-4.7396620735409085	-5.712481638989668	-5.438140337772464	-5.397159775021359	-5.390935989270089	-4.888550067506889	-5.768742012010862	-5.405035553374953	-5.799609609778133	-5.7082447590551375	-6.800950166606819	-6.882204628338399	-6.932888173685477	-6.701787236974524	-6.757449034587154	-6.94391821006667	-6.798435098246331	-6.970285806829242	-6.722506677800237	-7.09519305728453	-7.235682236687594	-6.9913236088943105	-7.693099235312458	-7.12964568336361	-7.151168180005461	-7.742057159619503	-7.559552612747129	-7.610545796174618	-6.435775266528307	-6.332166901263854	-6.575141564012636	-6.605389386725673	-6.282884639922321	-6.440961329977175	-6.602032297058492	-6.308587638328361	-6.574627858739692	-6.4358942187820185	-6.943107223963746	-6.6066498877064115	-6.563637900811934	-6.525681323584935	-6.863255120009959	-6.793319726851261	-6.745360838769834	-6.678304821962865	-6.804996583054356	-6.728178843162611	-6.386541905645969	-6.378116654829819	-6.536098637486402	-6.28596210322833	-6.433083090706622	-6.559423600565202	-6.621828086347163	-6.329965699531377	-6.233070956597352	-6.062404340403178	-6.329397073378514	-6.011860677405933	-6.117019759784403	-5.885450017753953	-6.165105606730591	-6.263062956357977	-6.409450349529844	-5.934906228252665	-6.141900944329966	-6.10699020519944	-6.532286777614512	-6.256727711983817	-5.354375720937425	-6.692088514189428	-6.384628257158714	-6.490911603060604	-6.681424233525641	-6.409153678469603	-6.1953947252352535	-6.197836601618635	-6.455644428785586	-6.296452490222444	-5.626751390015608	-7.0474723506515575	-7.142085886612673	-6.081232500184854	-6.13238022843139	-5.678669103057265

# Mean fold change values, corrected using median metabolite fold change values per batch
Mean FC values (based on 2^log-average, or arithmetic mean of log values)			M129_timecourse_6h_3	M129_timecourse_24h_3	M129_timecourse_48h_3	M129_timecourse_96h_3	24h_timecourse_4	48h_timecourse_4	6h_timecourse_4	TF173_MPN303_5	TF178_MPN250_5	TF187_MPN674_5	Tn051_MPN051_5	Tn674_N/A_5	WT_WT_5	dldh,NoxE_N/A_5	AA_perturbation_6	Fe_perturbation_6	Glu_perturbation_6	Gly_perturbation_6	KO51_mutant_6	Ox_perturbation_6	TF173_mutant_6	TF183_mutant_6	TF414_mutant_6	TF462_mutant_6	TF463_mutant_6	Tn674_mutant_6	blank_control_7	Gly_ctrl_perturbation_7	TF173_mutant_7	TF178_mutant_7	TF184_mutant_7	TF187_mutant_7	TF413_mutant_7	TF462_mutant_7	TF463_mutant_7	Tn051_Gly_perturbation_7	Tn674_mutant_7	WT_perturbation_7	WT_noGluc_perturbation_7	water_control_7
Batch			3	3	3	3	4	4	4	5	5	5	5	5	5	5	6	6	6	6	6	6	6	6	6	6	6	6	7	7	7	7	7	7	7	7	7	7	7	7	7	7


m/z	metabolite	KEGG ID
59.015	Acetate [-H(+)]	cpd:C00033	0.41391304742582036	0.5688158946859657	0.37885482151304395	0.32973165794624637	0.9561460140375926	0.7518169456012357	1.1450515023070658	1.1457843328906872	0.7845822707880752	1.0750704080567381	1.0510079074411252	0.9318137735433951	1.2380674908668747	0.9359332458747276	0.9113795810145321	0.852551503357438	0.6798857787829208	1.0449705553605604	0.7937564770008588	1.1016810572099287	1.0729652389738658	1.0973358666007702	0.9697431103555777	0.9607452995824489	0.9195223241493222	0.833589863843349	1.154952918276792	0.981959434640156	0.9673732150584232	1.0268935132679728	1.1155317582130444	1.2716099467556208	0.9709196779470484	1.0074737667335838	1.0933095402184903	0.8553547463253761	1.0945056565246152	1.1431397707801667	0.4671331686436608	0.8899824227431168
74.026	Glycine [-H(+)]	cpd:C00037	1.5206772494372642	1.3448094948840827	1.5526233284134083	1.1335420224850683	0.965484730917634	0.9541750169578833	1.0577342447153437	0.9302510932264458	1.0384199095006081	0.9826494254477719	1.045193717636583	0.916098500248387	1.0056240277690596	0.9252703593737858	3.462410469513057	1.1481929886985658	0.8834117809228381	0.9466296004428911	1.018166205957791	1.0471744718362497	1.0712509335120928	1.0419109761584542	0.9145393647946664	0.9163176060752098	0.9266800756912654	0.9903503348378949	0.8928815770036378	1.0389452326830024	0.9053862366274343	1.0731282002755842	1.093671594763739	1.1052472330107743	0.9945789010885143	1.094430438546337	0.9881335616844324	0.9342316639678016	1.1532989849311064	0.9820288656138665	0.7775261757291676	0.7537743486764925
87.007	Pyruvate [-H(+)]	cpd:C00022	0.8797015915680265	2.7374863962936766	2.338193815367179	3.3360709322117006	1.3970435171617932	0.7337676070499917	1.2865308894761802	0.9155042618947604	1.191668693096022	1.1140245516271972	0.9323936485266614	1.0353018537053342	1.1164299162775757	1.0378719754374617	0.8053354764714313	1.43944968304706	0.668011840300417	0.8661809979368797	0.5698579578583572	0.6258323614751383	1.2622486195052551	1.1904149488374918	1.180978798678424	1.3715708810851885	1.2484426980360308	0.9747916486147639	0.9943580854516526	1.095758035135992	0.827698885767989	0.9816344940774957	1.130305011140209	1.1773201911344218	0.8464623836926792	0.9931651366095623	1.1473164467083397	0.8626007535638385	0.9920416126671212	1.1173118290393027	0.794195072388656	1.7019953463280864
88.041	L-Alanine [-H(+)]	cpd:C00041	1.2368512606020607	1.2220611673975141	1.105003253417283	1.2289303841965544	1.0438262312659419	0.9873187530868657	1.009232546540726	1.0424226092755988	0.8558688098832956	1.0571132450543936	0.9823141361780251	0.8600910409911406	1.1852980328928011	0.9411253176634882	0.9666648757927401	1.009586876335	0.9412555788572994	1.1316230811277455	0.9739830534997083	0.9831026455040576	0.9885782740673127	0.9908615589252504	0.9713473348801289	1.0144639083640565	1.0190623427685417	0.9518712195618395	0.9864104847505082	1.0137443842384628	0.984197816577571	1.0099564603061428	1.002798972876265	1.0222851905285937	1.032102280165311	1.011821357451743	1.0504249977573772	0.976598585042909	1.0054622520969887	1.0181787471139843	0.948327496741061	0.9843073140249963
89.026	Glycerone [-H(+)]	cpd:C00184;(S)-Lactate [-H(+)];D-Glyceraldehyde [-H(+)];cpd:C00577;cpd:C00186	4.417133743499332	2.9298699297752293	2.5672020478787	4.602604875184193	0.9946861655399597	1.1628465844455855	0.914571306824668	1.0932893318488786	0.8981233182661972	1.0743622858008075	0.9740443126993568	0.9207506358111854	1.2291484036733396	0.9568804995538286	1.0425289639423354	1.1466695964418765	0.7373586104367713	1.1068825843826038	0.8557517091046446	0.888212650660439	0.8822566512769306	0.883720302410986	0.9021603917521043	1.1223432438159062	1.0156344300125493	0.8553952306953854	0.9830804596225372	1.2179904119115694	0.8505198286482081	0.9955268960659669	1.2183798643730444	1.1170525391316413	1.0266944896431083	1.048577584066447	1.1267483803713372	0.7690066999088697	1.12232187815572	1.1275952337094806	0.7453794361827465	0.8488585524528128
91.04	Glycerol [-H(+)]	cpd:C00116	0.5798151314075234	0.6752602012859396	0.6866504223450816	0.8306092562658068	1	1	1	1	1	1	1	1	1	1	1.5639994031690554	1.0049358756768763	0.8400268458577694	19.51764066618491	0.6203475977034821	0.8201471819121742	0.9477340294151969	1.001576232938	1.0572564303808436	1.034249620863652	1.272288409150704	1.1368986869686597	1.1131630690294188	9.979665526717959	0.8093059476688843	0.9829570747403262	1.0408124212453604	1.066472884569876	0.8414972719540641	1.01430022837862	0.9629230730596118	2.2565417981946796	1.353392297621366	1.1363116432385623	0.7786515050338156	1.5250084472015668
94.03	Glycine [+F(-)]	cpd:C00037	1	1	1	1	1	1	1	0.9912191854602971	0.7205464024722456	1.097192073048719	1.0840463358773709	0.8949473441421443	1.3278955456321142	1.1056169309502706	1.0458125864031043	0.9621770398299262	0.9110885746061976	1.200581862762013	0.9099630054289263	1.3214917123405687	1.0168159252784859	1.1750587737195572	1.0003211803239895	0.9335213481295008	0.9890147023374564	0.9862650397966182	1.152330243047607	0.6041696272975875	0.7051235404769879	1.2256319305330223	1.3478163709400877	1.580079112464916	0.7479442350574392	1.2666915621268948	0.8408903745784042	0.6342973154809682	0.8573748038487915	1.0486439464189692	0.42311064263103804	1.0186402343134642
96.97	Orthophosphate [-H(+)]	cpd:C00009	0.42149980670454945	0.5011606203572979	0.5489062999839617	0.6723582455940159	1	1	1	1	1	1	1	1	1	1	1.0894713186658456	1.0470558676709212	0.8366368367928533	0.8806683246494331	0.6873690416788762	0.9159426407470742	1.1246447429985607	1.122611059622912	0.9759027492170833	0.9997139000406485	1.0222666217074121	1.0534487676108282	1	1	1	1	1	1	1	1	1	1	1	1	1	1
104.036	L-Serine [-H(+)]	cpd:C00065	1.857801319510743	1.559573023870503	1.30457890942706	1.1488171487386278	0.9698019279009059	0.911334113617606	1.1361070605382189	1.0929418901853865	1.0075976570660934	0.9789740137308259	0.9656525058646672	0.8956165047290918	1.0495131871908667	0.9478413003053296	2.0752656314828046	1.1587393830679114	1.0289619366169207	0.9861742822757824	1.0143828793916905	0.8178933544735546	0.9678184599506023	0.9503344894478941	1.0442108620529431	1.0619281776536813	1.0364423256455928	1.0783266532639866	0.874111711482386	0.9637186533711166	1.0070583785166103	1.040670281924698	1.0988009371383893	1.0392058359230407	1.1046045048872857	0.998646625214207	1.127695681387717	0.9693277333495709	0.9114832329942786	1.0174662682327995	0.7804746824100788	0.6633891244217024
107.013	Pyruvate [+F(-)]	cpd:C00022	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1.1547394941962235	0.9692586486410961	0.9393911117728905	0.9573898027381185	1.0885737547523144	1.09344838944688	0.987070250769684	0.9574116858874997	1.0127120701071333	0.8859164588313764	1.0032463653676922	1.0665015306825796	0.7422309699098333	1.203334868782894
108.046	L-Alanine [+F(-)]	cpd:C00041	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1.1135859667846182	1.0132027025892065	0.9962126284009225	1.0912196977961381	0.7744800649013515	1.136675645027636	1.0516765230606653	1.1065445961276856	1.0524123047079892	0.9397482647217115	1.098673655116237	1.022632653320455	1.099107518683113	0.9861166099598755	0.7726320458011524	1.0647941266193208	1.078650908511294	1.1691939741450827	0.742037118828084	1.0731701803041707	0.951930213135304	0.8502048197939351	0.7843731829237175	1.1016698742965194	0.7383869550052833	1.638392159834781
109.03	Glycerone [+F(-)]	cpd:C00184	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1.0368075171065092	0.9878424321387262	0.9660596781960581	0.8617116737587952	0.7602414373849116	0.8736724088998133	1.2706732061418669	1.117190820643546	0.9991389400731874	0.9482854599194283	0.9837263174726587	1.001524792815123	1.0144670294072498	1.1625193485952159	0.8121631307264842	0.9898661801129512	1.0561767992874278	1.1453011279379364	0.8117698429090315	1.0117348905759818	1.006745959362943	0.8444032666351432	0.964388951017387	1.125649544944429	0.7591966864903461	1.6407747324968738
111.02	Uracil [-H(+)]	cpd:C00106	0.9804113062199368	1.261521361563231	1.0435300714193458	1.110631797002001	1.0539281015608473	1.0665278911113483	0.9191101376525035	0.9278915644687159	0.9229543305585396	1.1722917810675246	1.098710222404499	1.02338928940067	0.971301913884809	1.1408085380314967	1.067929459592195	1.1496621472721038	0.854454919978604	0.8895935419907053	0.8590132892841649	0.8729514840877186	1.0192238417848878	0.9470960770374867	0.92444283648131	1.0407229299105671	0.9933831419904868	0.9993142674012663	0.9944499558321942	1.0638031331512752	0.8776970879533158	0.9969632930462775	1.0278643973921244	0.974959147248591	0.9907164339876025	0.942341023282373	1.0736053780597206	0.9650965608117947	1.0141185250134204	1.0947370133373147	1.0135627334191428	1.3663854207455606
111.045	Glycerol [+F(-)]	cpd:C00116	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1.065496815466297	1.202770030984217	0.7900554889505379	1.0062453975021017	1.0260143783195563	1.1149606963541123	0.8052138267874409	1.0045684361325256	1.0281590003655547	0.8793175564426604	0.9132876530964531	1.1009318571087499	0.7560630867388879	1.7184148656264537
114.056	L-Proline [-H(+)]	cpd:C00148	1.6806288858901461	1.1146618873148513	1.2773970297346264	1.1460898881720978	1.0139273628742915	1.1330505709002772	0.8837895809992957	1.1056743824905855	0.8463112260060334	0.9338288382587858	1.0220744287814214	0.7865061613891406	1.030920449623625	0.9326069817988787	0.9658291193257292	0.6514483247651034	1.672312565234211	1.0104140623262716	1.1437595350627487	0.8023467700876665	1.126101154703407	1.3384652918479474	1.182666798657844	0.9487616826672544	1.0841145287816643	0.8420082475547329	0.6566105101558711	0.8921002013044114	1.0043395987733983	1.0426269965603856	1.0087652837690222	1.0686817539317575	1.1298834675799472	0.9525030954373779	0.9903417025638832	0.9370996485258952	0.9018769221069843	0.9907173903231173	0.9211285176399862	1.1667934201888832
116.072	L-Valine [-H(+)]	cpd:C00183	1.0687572276701416	1.077815076415481	1.1109171144509125	1.1023503831720474	0.9893385857559677	1.0408985608338317	0.9390061513037719	1.0363144153234631	0.9644718155439828	0.9913616435326887	1.0227773361548216	0.9971927401000111	0.9709102277740453	1.0314706385774939	0.97786465100529	0.99103578139255	1.0019551694961173	1.1109326814375513	1.0301251978104495	1.056558569611158	0.994617168191768	1.0119174301096876	0.9616253377900412	1.0222101388503737	0.970808268607114	0.9819928369564784	0.936205494716975	1.0153355107226487	0.9278384017074033	1.0036433626893548	1.006324144959087	0.9701958353765013	0.9820452866910296	1.0147795090021245	1.0018428175464802	0.9723296688581549	1.0400574788936734	1.0218896524995698	1.0192556082673432	1.0416512894209213
116.973	Orthophosphate [+F(-)]	cpd:C00009	1	1	1	1	1	1	1	1.0588754116486818	0.9793356674791058	0.9774603163532479	0.9707128609106083	1.178395189346997	0.9994795294440935	1.0465619842388048	1.0102262100264807	1.0304655897246295	0.7462210804560159	1.0844239772511532	0.7284372640339591	1.0595455377188734	1.1303180147925485	0.960650513167239	1.0898274957531902	1.230432349419936	0.8646014833343768	1.1278013043942394	1.0047823395690427	0.8670189553397901	0.9170048774220466	0.9554784448385469	1.1371190536148559	1.1427154764709164	1.2370004844545417	1.2686952944816487	1.1790141589742733	0.9484467077458131	0.8803700407968168	1.174734788531109	1.0000368728565787	0.5858342689820738
118.051	L-Threonine [-H(+)]	cpd:C00188	1.8241368236349775	1.3855871638979143	1.3915248714995487	1.086546603489453	0.9943699012022683	0.9998588037469006	1.1180514297400752	1.0415051399126087	1.0040760437753407	1.005610271226301	0.9811003501579605	0.9551459659848915	1.0387079929710679	0.9924942568693316	1.1282859999628576	1.0879026993237113	0.97736023809063	1.0185266736863134	1.045184277574727	0.9388813098639912	0.967796877554864	1.023074516674727	1.0918808848375081	1.0275234266334667	1.0374422989035128	1.0597454771423087	0.9326244091551017	0.9296292520138794	1.0071545809370839	1.0133429408453407	1.0642100489761672	1.0753150100148956	1.0502418828125746	1.0329271413552135	1.0581851250990804	0.9697402912812737	0.9407576222710657	1.0053013191314768	0.7872699793907647	0.7627661692470777
120.012	L-Cysteine [-H(+)]	cpd:C00097	0.6801732488555677	0.825987818795577	0.9371232165107616	0.7727068773979846	1	1	1	1	1	1	1	1	1	1	0.6178379906750927	0.6934985029672223	0.7774833270492454	0.7041214253436872	0.544801635378649	0.7711612024872141	0.782750175211525	1.2361082402816066	0.8885034702746599	1.0196815577368445	0.9077694468589108	0.6945755569609906	1	1	1	1	1	1	1	1	1	1	1	1	1	1
122.025	Nicotinate [-H(+)]	cpd:C00253	0.6786176229375497	0.8532196144136822	0.7788806679051207	0.8492757546143518	1.0297580438417828	1.016138770788094	0.8827277499361426	1.0460424986825363	0.9347274436950433	1.204816587274626	0.9974477820570596	0.9124500485481025	1.2011011935019633	1.1290587423162517	0.9319016519740164	0.9744096069031902	0.8873831146333903	0.986358000848043	0.773762819536379	0.9872748246219224	0.9780543503211793	1.1945635454425478	1.0596203107513373	1.0128974130179897	1.0921401758890328	1.024945613043648	0.9923603907883283	0.7330412142662399	0.7410699340316398	1.0911989765562307	1.2304535677126007	1.3825476612416663	0.8367993708502662	1.2261903530087273	0.9734706134267087	0.715778609668067	0.9152913678107888	1.032165159271266	0.5262830338061093	1.3022854414146472
124.04	L-Serine [+F(-)]	cpd:C00065	1	1	1	1	1.058361509354503	1.0231571048456074	0.8780142215122333	1	1	1	1	1	1	1	1.1044872758828248	0.9448393855873206	0.860268329034874	1.295459123945216	0.9043955234005905	1.446457862015486	0.9306717313047662	1.0238332584323284	0.9411219246104148	1.0165225594567437	0.9883657661664892	0.8793199069231216	1.0802054596907344	0.7229053256674952	0.713241605032368	1.1148193148125485	1.2580395936542308	1.413013126566973	0.71858890751437	1.2297112501764067	0.8533902274995184	0.685175856530602	0.7849797244050949	1.019868678959831	0.5323345641820858	1.2152105356491536
125.036	Thymine [-H(+)]	cpd:C00178	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1.4710959028419441	1.067172690696047	0.8201172621115509	0.9091493884390769	0.7869139560911629	0.9213830508115914	1.0828084156898716	1.1287020735030118	1.020405501146375	1.0650699110096697	1.0630295457679493	0.9647286346250382	1	1	1	1	1	1	1	1	1	1	1	1	1	1
130.087	L-Leucine [-H(+)]	cpd:C00123	0.9734584193364941	0.9768281825447362	1.0019887344570477	1.0453675799800155	0.9965654250009032	1.066957105330482	0.9890989892301996	0.978790191812287	0.9991442253104751	1.0163511629030466	1.0226991903415572	1.035007039383335	0.966744835654976	1.056925300776802	0.9863349387149135	1.000646863224435	0.9573665282175428	1.050364119619851	1.0377394258011208	1.0674278038488991	0.9807571523085354	0.9885041682480318	0.9940161774179418	0.9832407533763879	0.9857115602712807	1.0124290437889587	0.9988877836312041	1.0235744797322484	0.9755706340548372	0.9843155946020008	0.9897565980469267	0.9775856870406059	0.9697189369431988	1.0247398137003925	0.9900080827915936	0.9983607622309221	1.032701515834108	1.017776311110325	1.0408731833112856	1.0654675134511802
131.045	L-Asparagine [-H(+)]	cpd:C00152	1.17512048549248	1.4449825516263652	1.1059044626140828	0.9416283344095068	1.0053172087641749	0.8477809923898992	1.086153063453008	0.903832278734902	0.9534848056577612	1.0013651895052034	1.0455260934817707	1.0148673765615626	1.0395454688889103	1.0627303899096407	4.29814540532944	1.4056773946652648	0.9007927695755958	0.9299064815775002	0.8484477524781443	0.9763153804528436	1.1095076477214476	0.9923911975762207	1.0744346413619528	1.1439069495094074	1.0854184819683337	1.1430917993628342	1.0828127107189138	1.071184343722093	0.9923685621181046	1.0022787013859498	1.0220566293696085	1.0246434019217785	1.0056938305186247	0.9775927434669907	1.1549483091895072	0.9997980726187464	0.9276685987653858	1.0700783976963721	0.8628730360512707	0.9642368600046554
131.082	L-Ornithine [-H(+)]	cpd:C00077	2.4451456777703306	2.8254735011392533	2.9314130553223667	1.996880873125389	1.0550962917411095	1.0225580901713884	1.0278984907455055	0.978382865782262	1.1733310490440296	1.0855323241628216	0.9473051637003265	1.0896587097730235	0.9082395862128301	1.000201289288237	1.0562865789269014	1.003730437848815	0.9283916583584325	0.8342897715160469	0.8234884024592144	0.9235025651870786	1.1191172079227194	1.0658971574588514	0.9828385682883647	1.0446295526230103	1.0107942156109961	0.989172586814099	1.3573636874963997	1.1398248173878385	1.0744374562748045	1.1821621341705282	0.9425728062154	1.0038673736181212	1.0567530845787405	0.8536782246938619	1.0460783669184168	1.0896932098430347	0.8956743582597236	1.0178710309378673	0.8528858564753719	0.5447235905322068
132.03	L-Aspartate [-H(+)]	cpd:C00049	1.8889364165836902	1.1639289589982147	1.5052633124675543	1.2971074234992914	1.0770732321917686	1.1930032462398592	0.8248235993962763	1.1278926895374406	0.8725533204898135	0.9089966470899724	0.9473910573040975	0.7654185748112469	1.2099276859001404	0.896177542075205	1.0258772640437415	0.9280758277941971	1.0610278651273692	0.9227511094767107	0.8973318522536793	0.869652155272092	1.1460016886459	1.1412371960767338	1.1112326431767585	1.044830127416982	1.1753121240557158	0.9661185824202239	0.7166892210861998	0.9681978095685044	1.0140279499204785	1.0501987167763376	0.993734595947632	1.10931348116237	1.1672424128180983	0.9671149013623768	1.0598513148847508	0.9052273906985041	0.8731487211214116	0.9650944507485529	0.9011393653773361	0.670469593039643
134.029	L-Homocysteine [-H(+)]	cpd:C00155	1.1034812800100886	0.9314143882697412	0.8645928000531585	1.1071816174940499	1	1	1	0.931698803473651	0.8098001927494335	1.113049967762247	1.007746491700204	0.9309180707062151	1.1508243646468208	1.157163102150252	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
134.047	Adenine [-H(+)]	cpd:C00147	1.2598398720329274	1.2383749471020744	1.3778350944629418	1.3718417509425376	0.993476249626437	1.1218411140827245	0.9267419793141181	1.0159196952502867	0.937955615430195	1.0000459931881314	0.8426549648024567	0.9452482089146607	1.0600264189377824	1.0242338795294763	2.0761174220337533	2.1412301963529314	2.34086890261305	1.7226756461233268	0.5489428250286438	1.7335566950808885	2.241470650773031	2.305843680615942	2.150345605160993	2.206089942078066	2.213692860154681	2.280305437590958	0.8100955094823922	0.9568005213018075	1.0446010646651096	1.00463656447892	0.9630134607328378	0.9179880123094326	1.1343492813009997	0.9489935768452255	1.0471966141208084	0.9526335484655318	0.901981008343963	1.0334247160855627	1.0980351724936457	1.0450507280692714
134.061	L-Proline [+F(-)]	cpd:C00148	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1.1821326315285001	1.152268910053751	1.0482231900408165	0.9643305005095086	0.6416091083869672	1.3283476480770335	1.2149471513237258	1.1755395794616688	1.139721551041754	1.1824534465126098	1.1636081972869114	1.1612308988015498	1	1	1	1	1	1	1	1	1	1	1	1	1	1
136.077	L-Valine [+F(-)]	cpd:C00183	1	1	1	1	1.0640815812244446	1.1640480743350343	0.8507751661354597	0.7489586992237919	0.8563120600807905	0.9325947232951884	1.1323599658852095	0.9242733148504076	0.9330233347586088	1.1509622903665855	1	1	1	1	1	1	1	1	1	1	1	1	1.0617988536086487	1.0636909084022719	0.8502825326984962	1.0162545996159014	1.0084407441677579	1.0021657527176766	0.8038052866475083	0.9685015691347676	0.9593821546758102	0.8968453318123466	0.8409547949037248	1.1039730257188414	0.8734037433079619	1.4203079942648513
138.056	L-Threonine [+F(-)]	cpd:C00188	1	1	1	1	1.0356150266532749	1.0781051220968867	0.7419216813027361	0.8594066376220401	0.8399111557534756	0.9775549558929082	1.1642598301963285	0.9837471123429343	0.9888097769730206	1.1576708745586632	1.0179764730294414	1.074482128665557	0.8735797845848705	0.9651371606752731	0.7840450716734214	0.9858534447120902	1.0858685917668007	1.1456013167682304	1.0237062522302938	1.0341092088647348	1.0813246649527597	1.0289249977588713	1.07793038517362	1.0079906502368021	0.8430041774787065	1.0415050025123527	1.0431891986171495	1.0642922654278244	0.8471684488528196	0.9784610148605692	0.9982113690637745	0.8878769132451111	0.8653744021446954	1.1085916988702325	0.763103301300421	1.5912457079561917
138.98	Acetyl phosphate [-H(+)]	cpd:C00227	0.8013140202239748	0.7931605862806308	0.9358276246763862	0.7435736698494895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
139.975	Carbamoyl phosphate [-H(+)]	cpd:C00169	1	1	1	1	1	1	1	0.9245120231816851	0.8143339661550933	1.0546660042084999	1.1059203219941833	0.9728659168346714	1.2171539167561007	1.1518551203482257	1	1	1	1	1	1	1	1	1	1	1	1	1.0767867554075397	0.9330272313013707	0.8670805744588357	1.0605536901291337	1.0393573184761848	1.052442390946533	1.0960868442722194	0.9237436803868233	1.0843509416853787	0.8250427236711673	0.934837763081247	1.0144887350678287	0.9438290843196805	2.306097273926699
145.041	Thymine [+F(-)]	cpd:C00178	1	1	1	1	1.0055692346662954	1.1511734586045987	0.7046915793994158	0.8496636723526296	0.9291958137867183	0.9550650209933899	1.1347091956644104	0.9572848907477773	0.9719854429461287	1.1252573687353482	1.3024503601060475	1.1060270979770528	1.032291286092409	0.8586080314282291	0.6717205448808303	0.8199759423529228	1.0230876249172214	1.2646444079052706	1.1057661323630334	1.088163761896325	1.1398854260704208	1.0162656702779813	1.0635235344347156	1.1058391199945148	0.8695627774155156	0.9887040527526708	1.0031408433088775	1.076227270947853	0.7515430189532598	1.0154018515835679	0.989858254791348	0.9070451717426086	0.8309389174475663	1.1222837097778116	0.7800391204187872	1.5318111921285182
145.062	L-Glutamine [-H(+)]	cpd:C00064	1.117191654880602	1.4777609369046394	1.46653732017076	1.2344329915137402	1.0264885759074542	0.9141551043470163	1.0452103901003522	0.8531905605046505	1.179084159478928	0.8604040556873457	0.9570792748374651	1.0843445700052117	0.8665237075031264	0.9988802664424037	2.179084913693663	1.2551865685180164	0.7610525640327502	0.8076089184063396	0.9314383513541737	0.8850831830841359	0.9914870156074659	0.8484713990603754	0.9536203237275651	1.0747467172787069	1.0466996535881337	1.0487683251763156	0.9026493049621382	1.2266483608958192	0.9726367038293223	0.9156107646826795	0.9841032373012938	0.8145856477428788	1.1166372340984132	1.0520802246907068	1.2745338520130562	1.168465351377596	1.0670990939610696	1.0137696440139246	1.087347668210805	0.5665453098453123
145.098	L-Lysine [-H(+)]	cpd:C00047	3.670705048097771	3.815289983833292	3.766414033711174	2.5977295637308915	1.011905829138922	0.9662189248131032	0.9257253263307321	0.9986371516054171	1.3705652129222592	1.0827962955998005	0.8782953475248692	1.1121602154899972	0.9107783862116142	0.9463719962757372	1.0493043453832656	1.0537295412791596	0.9755462751318114	0.9011974544886717	0.9921027843658016	0.97651895396887	0.9870492643195949	0.9525420807822953	1.0015937481031547	1.0378100336541707	0.9992538214240436	0.9899827868067808	1.3615401547903918	1.1513121481624797	1.1027427388537274	1.1828904428270637	0.908623235702665	0.9810425651341624	1.1123903208259969	0.8225881911211461	1.0448377035300378	1.1101425722589537	0.9278836466257381	0.9752116005823711	0.8852838190949144	0.4217088622044454
146.046	L-Glutamate [-H(+)]	cpd:C00025	1.4295520394402788	0.9797921340074581	1.1636280942684023	1.1353008072106505	0.9859631051742535	1.186478166546601	0.8353990038346158	1.0724531212475727	0.9049737121619305	0.9242512110583841	0.9364788363478942	0.7806173835466453	1.1259070831121798	0.8502151719676052	1.0444667675263204	0.9766455108289002	1.0114817246428036	0.890419911587263	0.9662169656131003	0.891225037429358	1.100591409034746	1.1095303918382347	1.101373542248368	1.0028330604193938	1.1492596256561671	0.968608453686186	0.8430594220726341	0.8833840952890355	1.0914672503129093	1.0320080526119901	0.992063403894916	1.1189916840520424	1.1499901838029616	0.941110010766342	1.0600473222372664	0.9310372803505245	0.7908394125747868	0.9651923383213789	0.93619646068706	0.6642914492592978
148.043	L-Methionine [-H(+)]	cpd:C00073	0.9205440229898678	0.9590057552258305	0.9943952047775089	1.0009699252330537	1.0161874180762702	0.9111967095539029	1.0366147616085613	0.9643047853191281	0.9759671753680715	1.0146916467430338	1.0877227895614507	0.9749375126337941	1.1442059585102013	0.9941528153785585	0.9998334405620481	1.0316352303528344	0.9437049906951758	0.8529665855496366	1.0763072310716986	0.20844414390976423	0.9729777224493522	0.9469440417906276	0.9892044813184979	1.0180950240279492	0.9950650266369884	0.9851790568523544	1.0468479977263825	0.9139827662423488	0.9209712924345896	1.0593628525914645	1.107251307588401	1.1601161511006526	0.9423670146584002	1.07530949028993	0.9826821004934105	0.8990442369761663	1.04054991469391	1.0381915412137686	0.7824073144029117	0.9814544415176184
149.046	D-Ribose [-H(+)]	cpd:C00121	0.9261565635497045	0.9577016094090565	0.8803072329645366	0.6574597804853082	0.9813238719681484	0.8258868621386648	1.1774063610678553	1.0912349379759994	0.7478773053018073	1.1856538878055776	0.9222835208865253	0.8044776640230862	1.4223036747607103	0.9974050631388462	0.9495481221219205	1.2816053677824761	0.6264240435763312	1.0190494435922728	0.712438539766462	0.8617273905397365	1.2913865229292107	1.1301262450426461	1.2475405724581434	1.2330192769355048	1.2789359280114534	1.2765590721720725	1.2174287230697105	0.629435732830306	0.7169557731375252	1.2781129332441228	1.5214471322022072	1.927942144196935	0.8532070770644584	1.404784577516525	0.8599644773340632	0.5540748478933673	1.1935153330506385	1.1457409791271933	0.31983934728085844	0.9523074755201294
150.042	Guanine [-H(+)]	cpd:C00242	1.035162880323478	0.9293642949292402	0.8433441590615222	0.6375344441656707	0.9571768402711741	0.8621972290523798	1.1947109464168315	0.9741292002682748	0.9257718345575	1.0518532141373171	0.9781217812359622	0.9142714648486442	1.0974778462447399	0.9811890132696761	0.9208992196797471	1.0431265782380248	0.7963354078581042	0.8780601874626566	0.8958717645777836	0.747420153532364	1.021411135713338	0.9320264727820728	1.0204282973457566	1.026321934553421	1.0901235072704658	1.010638856049701	1.0499216828036975	0.9120859352963021	0.9437978987757588	1.0815765585840356	1.0086877201290667	1.0069360185109266	1.0365317477166633	0.9418378946633833	1.0093681412679771	0.9290510120550375	1.0193095369035132	1.0206225103032929	0.8951110888512746	1.045676085473032
151.051	L-Asparagine [+F(-)]	cpd:C00152	1	1	1	1	1.0642502113503556	1.0795030349243881	0.7665415373486223	0.8319312016045417	0.8781011821449216	1.0135824099242583	1.1992857031240187	1.0002949032739075	0.9498102647561123	1.0975178908705419	1	1	1	1	1	1	1	1	1	1	1	1	1.094673326308765	1.074488981874919	0.9012040001882409	1.040458148704646	0.96666007083688	0.9960924421528047	0.8560336296771219	0.9415238083392441	0.9664863374946833	0.9600106104935873	0.9420049699019042	1.1223584516580607	0.8305232318615806	1.2421043679716146
151.087	L-Ornithine [+F(-)]	cpd:C00077	1	1	1	1	1.1599565906846867	1.0469886046801413	0.8427392008674564	0.8561734727340965	0.9956000923472021	0.9015155649202563	1.0511108250065508	1.0708255215614169	0.8681794449667023	1.0026235779462924	1.0720508398341642	1.1188109521876335	0.7260231037240129	0.7027367496298413	0.5921311289661035	0.7003154101235759	1.1534846892584338	1.0414403222677184	1.1615182848396737	1.132422032088773	1.2467711248152036	1.1692528763395877	1.3694910749219609	1.2369757254714875	1.0578286789923317	1.0993336869110206	0.9403146285167033	0.8703428679117027	0.9026700719940846	0.7359272703541694	0.9723230341299639	1.0198503558151684	0.9926498667727809	1.1214368505760666	0.7315164029878759	0.7251192486684223
152.036	L-Aspartate [+F(-)]	cpd:C00049	1	1	1	1	0.9810006145956566	0.9391456043642075	0.982916025297238	0.898905093271915	0.887424483578681	1.0669731478502265	1.0532118952582608	0.9505459435358082	1.1022712983519625	1.146541866672833	1.010427361643311	1.0832004965137656	0.8073619384168246	0.9460148928970697	0.7044694351225372	1.6775154615608159	1.0787967467401811	1.015595448755111	1.0232359251923704	1.1258609624044122	1.0504284295001503	1.034578341756176	1.07713067654832	0.7720069963072819	0.7660624020965006	1.0978025598574372	1.2654122070476972	1.4410479451752276	0.8453043376436562	1.1614266635272454	0.9285941393038332	0.7151360341204117	1.0020166999038869	1.0713094497177962	0.5709857661055717	1.2646286171776533
154.033	L-Homocysteine [+F(-)]	cpd:C00155	1	1	1	1	1.0986536597399035	1.1616708978161094	0.892398010843532	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	0.9068732531416337	1.1169531588245138	0.8494725300483634	0.946700855267353	1.0201143223355058	1.0827050617591103	1.0145338941781132	1.0524342367902035	1.1044185740748405	0.8877275532820501	1.0791755452084202	0.967880677868992	0.7540477901879715	1.076227200681117
154.052	Adenine [+F(-)]	cpd:C00147	1	1	1	1	1	1	1	0.9148920258734315	0.9916640827066245	1.008707638191805	0.9920174929255723	0.9654657618302367	1.0929008440979622	1.0682780174629989	1	1	1	1	1	1	1	1	1	1	1	1	1.0723133826949416	0.6340180380031694	0.6702310589189963	1.132945407758904	1.2534894158927528	1.466428788942871	0.7084446912982554	1.3509250714733003	0.7881388561005971	0.6057926831813666	0.8773910478171605	0.9770431206279134	0.5156667503629024	0.9899795768395323
154.058	L-Histidine [-H(+)]	cpd:C00135	3.0325462449505642	2.320092845760129	2.317329550811826	1.6422276060091405	0.9794946258435261	0.947499556523847	1.1419808362133292	0.9849887617395314	1.1948005253802898	0.8862585883917641	0.8605426394363941	1.0151607877428501	0.9677149464088687	0.8774857715443481	1.030080415976307	1.0420913540229204	0.9060207409034566	0.8496766304827353	0.9511848507037948	0.9762229927042593	1.0066273385055844	0.9698107121066727	1.0116956369712153	1.011822554192928	0.9785298468192902	0.9840139361643068	0.9747047052807243	0.9477354160921159	0.9914672075141153	0.9859328420163566	1.0095947772109182	0.976227781604383	1.1236658665446386	0.943672203874681	1.1052276987956702	1.0115753373712293	0.9093601045501656	0.9877840877917694	1.0314530845052556	0.6411091070851265
159.977	Carbamoyl phosphate [+F(-)]	cpd:C00169	1	1	1	1	1.0064989164641294	0.8287918227603953	1.3472095748594892	1.5984892199843292	1.2413906811263418	1.8497734167769044	0.8023054814011318	1.2863732296753816	1.8357534406796596	0.8253966001886147	1.1774426359205323	0.8501694345295376	0.974014860456385	0.8163116858245878	0.6242169322459743	1.642292784418959	1.1903380258489755	1.1337859234371623	1.0577284078905056	1.0178288333803283	0.9361266344379576	0.942764996736863	1.0184283919622905	1.0192458417761174	0.7155550688305904	0.9819611869689786	1.0564267239794074	1.0125853436529102	1.1259149728584508	1.0681808962287414	1.2149496042933705	0.807879404486517	1.0885713115567517	1.0116144730939627	0.9325479100334466	1.6271493265719568
164.072	L-Phenylalanine [-H(+)]	cpd:C00079	0.8510280716838903	0.9859680684091149	0.8890083523010939	0.8581705675627519	1.0084534048140448	0.8987790427608982	1.0608219725134038	0.9853721193606623	1.0447614891637242	0.9776033767482716	0.9306725710814125	1.0271684845236844	0.9961571005506065	0.9487178471819195	1.002530246986933	1.0531784433889484	0.9712710020819786	0.9023748791836249	0.9264552465224548	0.9765889245064252	1.0144971639314602	0.9631156876930749	0.9981840553965617	1.0307129042663912	1.0084614228871598	1.0297396681383224	1.11177699500903	0.9950487934114238	1.0876252348782844	1.016747942991439	1.0176876537297488	1.0212430125056493	1.0470124535060272	0.9737496817945853	1.024234298637613	1.0529562541422517	0.9790062161107113	0.9705051616128673	1.0090795979730451	0.8691514411602721
165.067	L-Glutamine [+F(-)]	cpd:C00064	1	1	1	1	1.0887272681490516	1.0375304723489427	0.862678025162392	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1.0231823805618159	1.076808465086237	0.8751674837614429	1.0212837369911132	1.0052925514369437	1.0048433496314524	0.8756469875629546	1.1124399986187188	0.9944257946859764	0.8612683107258877	1.2683349366125563	1.0993483060265252	0.7948137961880021	1.1583105169122867
165.104	L-Lysine [+F(-)]	cpd:C00047	1	1	1	1	1.1431193949021916	1.0365907532162675	0.8559130790777907	0.8321408181981964	0.9783563506853554	0.9070303268163115	1.0263947609589013	1.0771070581703206	0.8841537068913101	0.9526364564720496	1.040405426777277	1.1346008262022589	0.7214952825395483	0.7779052995117209	0.5955250387582687	0.7386709450932243	1.089594536627102	0.9927980728325377	1.1153234055698662	1.0836475546774031	1.2419791947011007	1.0348034889726816	1.4609423102249142	1.2578526091678974	1.0413695407663601	1.1331637409820183	0.9388746418069515	0.9124897386325175	0.9814644930829205	0.6789481754517673	0.9690632359355799	1.0380193603921977	0.9810979227060487	1.1212400433911032	0.6802763701038709	0.6240425393448095
166.052	Pyridoxal [-H(+)]	cpd:C00250	0.6289902910529792	0.7344959277743918	0.7053299646023267	0.6634994877476981	1.0085923530829435	0.9997092957725509	0.8541559327049798	0.9573462697206554	0.9166373386117602	1.1170121245850932	1.064424982026967	0.9985312443434746	1.1929924424538474	1.147188820922844	3.509713710309428	1.2561913571984582	0.8780470855206953	0.9595841191820526	0.8328235490995218	1.0105021681592163	1.084000482980184	1.1361414852214706	1.0271957899041373	1.0690321593180865	1.0206617602965027	1.038599698431493	1.0811342046491907	0.7764858392356813	0.7873188174773734	1.0990790928052903	1.1960718686889682	1.292627913592638	0.7979450087765764	1.10479079543946	0.9269243718346238	0.724241618110935	1.0138818076682221	1.060059235490654	0.5137421645117343	1.0884721113287
168.054	L-Methionine [+F(-)]	cpd:C00073	1	1	1	1	1	1	1	0.8879503004999395	0.893312187408685	0.955155317845689	1.023314696502694	0.9692135237900094	0.9790942249806099	1.1106030901363813	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
168.991	Glycerone phosphate [-H(+)]	cpd:C00111	0.9115126698943108	0.6054410559670669	0.8351267586067098	0.9482260852434536	0.9679744676032576	1.2056183202879653	0.8900946927761848	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
169.05	D-Ribose [+F(-)]	cpd:C00121	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1.0457079480159412	1.2279344484577457	0.7850216869345742	0.9651047470224581	1.001227905407812	1.0387483333370204	0.8143748942481779	0.9587509577881392	1.0040162599426417	0.8816187833478165	0.8940552345111177	1.1310907673284645	0.7378192204161151	1.6673687437292755
170.045	Guanine [+F(-)]	cpd:C00242	1	1	1	1	1.0180992338297354	0.957137059184112	1.027703038115175	1.0131918845665657	0.9505683096463252	1.0362873600124352	1.0378337993637254	0.9995103952268874	1.043526795743853	1.042784085210679	0.9562588779013095	0.982659748272927	0.8597767581397043	1.3425444838400462	1.1682330158986804	1.2814942023443603	0.8219453264753004	1.0119229005184744	1.0201852899338846	1.0694290690636363	0.932609316832297	1.0002245043142446	1.0561167660775186	0.8980246880502084	0.9643369687577488	1.0426366699404772	1.1005653020368613	1.0979789928041956	0.9200827045192261	1.0802923303450704	1.0403461179086295	0.9126042166663464	0.9416559596954158	1.0002279782470869	0.7418083991749017	1.18739056369683
171.007	sn-Glycerol 3-phosphate [-H(+)]	cpd:C00093	1.1577008718791582	0.8112719807115163	0.5965780401477133	0.4314806231711629	1.3913648899458115	0.6779715571916775	1.041569260220708	0.886243912569609	1.013948833150919	1.0865234949377978	4.578122808207729	1.0197767692607709	1.1507437878346354	1.0226318560909584	0.9450745426330373	1.0804917180436453	0.6250413136563447	1.410036686684067	3.7297475585519604	0.799665125148123	1.161904232887532	0.9012410062962709	0.7968301276237901	0.9943617411229212	1.058957672830818	0.93664966957002	1.5457866288182804	1.7783102612841795	0.7873895067580292	0.7367352377743628	0.9583298259558082	1.1128852600100645	0.5794197151417757	1.0007576534659228	1.1275628972446838	4.097795944126474	0.9222694645715056	1.1570244922813575	0.9936973575780114	0.6485513707630837
173.105	L-Arginine [-H(+)]	cpd:C00062	2.7988949611127345	3.070712739879352	3.0977450013683065	2.1417297164145195	1.0064530982252105	0.9410257577321165	0.959271930526789	0.9749673243279054	1.1758539318293348	1.0473644622138225	0.8869372028178841	1.083708496440479	0.8676206102309963	0.9813737188771344	1.085309750167091	1.0810406542773954	0.9625996749078161	0.8436724882468083	0.8466894779442865	0.9758037880154311	1.138456011949446	1.0983283154376702	0.9734411147998056	1.027019823835776	1.0210466757555803	0.9757156844882274	1.4291883835566295	1.1379315742527178	1.0734125512029846	1.1966019761687405	0.9171527261322777	1.0046663872503243	1.094198251876018	0.8173656601280576	1.0573975376231206	1.114992016671828	0.8865029897898503	1.004824200670758	0.8428141766070399	0.46421507636489173
174.067	L-Histidine [+F(-)]	cpd:C00135	1	1	1	1	1.1073184520552595	1.096240811717918	0.8264158269765579	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1.0944564394606706	1.1260283681555503	0.9038792599489364	1.0354603909952742	1.0007074291037301	0.94224987094447	0.9064624173868782	0.9043707077029038	0.9729012703364578	0.9739157615558228	0.9490465086993556	1.17801955605837	0.9089371886489153	1.183641188717009
174.089	L-Citrulline [-H(+)]	cpd:C00327	0.8294207108502495	1.0540822879117857	1.3018098095031552	1.2650185957978548	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1.0492376844532607	1.0081181488270505	0.9501475299359385	1.0205378192605223	0.9837574558570095	0.899506777746576	1.0036503184248835	0.9300791007487319	1.1306692429761	1.0029446697410747	0.9854029676879386	1.0075929894977353	0.8743970372132905	0.9423624091788272
175.026	Ascorbate [-H(+)]	cpd:C00072	1	1	1	1	1.0687217003580503	0.9046212775451902	1.0066484471745667	0.937106465496562	0.9482158659577338	1.0639651064707363	1.228918747367265	1.044654554265348	0.9761912269660715	1.334402843396946	0.9665579130123197	1.2398659110805854	0.653248227224609	0.9420398818454904	0.600257528967457	2.7013293916182857	1.2827036959985807	1.17805566771832	0.9479807369083272	1.0789541357900403	1.1308806576653985	0.9051690615368089	0.792059023586016	1.3821220840748714	0.7007070007986461	0.9276708769840571	1.2794847605277946	1.2034256205975553	1.1732398653438159	1.1656222633761575	1.5035867487897179	0.777746305542773	1.7036677508656386	1.1910283786475	0.8247989229500137	1.5145986139315388
176.936	Diphosphate [-H(+)]	cpd:C00013	0.22214009818922828	0.28281094617598	0.3399227597790422	0.4849804323093602	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
179.056	D-Glucose [-H(+)]	cpd:C00031	1.6482515905428525	1.7462137196873047	1.523200838112009	1.0942343049391232	1.0034682450068266	0.8223948643134601	1.217495815772398	1.1082037879296296	0.9694516480734552	0.9711078092699517	0.9706501685819292	0.9960789246355799	1.1544854962928202	0.973789061846656	1.1155786923080515	1.0584280698171566	0.6049708486128278	0.7498680580131396	0.7541427353704666	0.9603600612763917	1.1756549143581827	1.031806127741038	1.0183978808358811	1.0508540941955486	1.080107590273652	1.0003448508968409	1.0636563034639035	1.3231022490700701	0.8491388212074646	0.9647162494241467	1.1474209009252734	1.289671073063837	1.0668316035198424	0.9709602048324681	1.2946981291592599	0.8484342250107664	1.112838801565094	1.2196411558368223	0.40772802849629325	0.7707426554042414
180.067	L-Tyrosine [-H(+)]	cpd:C00082	0.761128070678205	0.8611800455779444	0.88221885562522	0.8249830068077036	0.9972711299414121	0.9212999039273014	1.0173616229555078	1.0071708780821422	1.0248824319954646	0.99764799450864	0.9887331214245731	0.952433972015827	1.096404856214308	0.8749745040833236	0.9928648308055289	1.0469310516266976	0.9821251469393758	0.8577900407912202	0.8716360630913089	0.9400415125801429	1.0474749327559845	0.9992320174816823	0.9833061418069232	1.023185514485555	1.0523836362844017	0.9863613641241188	1.1419201015860514	0.9943554346061655	1.1075322995445724	1.0381217350450527	1.0004676609696244	1.0591505719692242	1.0130513319280234	0.9396237686001947	0.986464039480463	1.0533711264458396	0.8827495821882182	0.9564753678860156	0.9393481991404378	0.8763736010935772
181.07	Mannitol [-H(+)]	cpd:C00392	0.7504234141123736	0.852544685240531	0.8584254306861038	0.7889217472143963	1.0496239236387968	0.9697918322376032	1.0116838773166703	0.9385765287163963	1.0029609040948413	1.0250913045194585	1.0251428263334794	0.9544785276171832	1.0379677837535217	0.9483566618115548	0.963121212421835	0.9524410956381848	0.900947763736847	0.7711316434754818	0.8983993181266218	0.9961901902113891	1.0314294199242362	0.9848908588550077	0.9284875327013291	0.9356502883485855	0.9584796203805327	0.9347820920419169	1.1384229009046458	0.9894724835988133	0.9671477063445223	1.0361304468096477	0.9936416506515633	1.0531082671482366	1.0150423827735129	0.9342184445764649	1.0152747918877796	0.9713865791791997	0.9283680484965312	1.0054098783799652	0.9061023139661162	1.1871419681335234
183.067	Choline phosphate [-H(+)]	cpd:C00588	0.6875330411501477	0.9409564895355681	0.9197577435786246	0.8723366505055704	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1.0970740794326612	1.2269465665227066	0.8287887646724068	0.9401393115298247	1.0160392194270385	1.0241782671209845	0.8291618196823985	0.9494310699590454	0.983878081482382	0.8657867560833261	0.9290885382861611	1.2036070131697445	0.7670938905264252	1.624816424318361
184.073	L-Phenylalanine [+F(-)]	cpd:C00079	1	1	1	1	1.1292993192840637	1.0991469185736291	0.7673832963111984	0.8112442645425773	1.0603179004607546	0.8902522111727119	1.0011323660068745	1.0871646997684856	0.9289100929595425	0.9577177478855772	1.1136789759808474	1.1322390670373428	0.821157501101616	0.8628024519947617	0.7562520491720289	0.9652462881798757	1.0470924562206432	0.9472896360871346	1.010646953316408	1.1176721617664147	1.1344955640511327	1.1040598153907286	1.2401570678393816	1.156293249500839	1.0555158994742755	1.1036724851530946	0.942500298435165	0.9073267228354328	0.95534293050279	0.8115711136076831	0.9957489994161259	1.0173951866632989	1.041159781563338	1.087800398403123	0.8148650100546488	0.7573634100934543
184.988	3-Phospho-D-glycerate [-H(+)]	cpd:C00197	1.2137015724110547	1.3157157030400823	1.364608735294776	0.7884686778887606	1.1829380041862996	1.0281107827232643	0.7540419259544828	0.8966102234749872	0.8966001924823069	1.0986927100916914	0.745698002835633	0.8132678081780156	1.0132480667151216	0.9998015917711297	2.3162019626350667	1.2346796545501524	1.3351563374242958	0.8215601374995507	0.7092089502714126	0.8209695045845177	1.2614706072466724	1.7922774601059517	1.2204889805365564	1.0988504090521691	1.0921252910736459	0.8931992803974593	0.9379141803785185	0.9826729670236369	0.8595235773417396	0.9389919186727164	1.1139580095016959	1.1998252222432166	0.9663003172589814	0.9794563604289624	1.1499665445947018	0.8761627080882417	0.8614130076392256	1.1344268902194443	0.5934834890347743	1.761347686531933
186.058	Pyridoxal [+F(-)]	cpd:C00250	1	1	1	1	1.0776923945813928	1.0478798633349629	0.883521888673035	0.8493748028841854	0.9644704711245584	1.0163091271391587	1.0802725615188753	0.9770246683435657	1.0399745997622916	1.0359564743109808	1.1165912054738074	1.08861287348576	0.8386838038418156	0.9029285284046893	0.8467402527326029	1.0142951808507488	1.1528459597365395	1.0490031023612232	1.0437453227013866	1.091429651041408	1.0911684325843598	1.0510520787155373	1.1709846429250408	1.051124041374066	0.9478598902592865	1.0871719305779022	1.035718885427919	1.0069449264862427	0.9655511052482406	0.9277633959982844	1.0170531450956621	0.920017870462043	1.0104524198674283	1.1117162827080467	0.7949322139310209	1.1254902017312414
193.108	L-Arginine [+F(-)]	cpd:C00062	1	1	1	1	1.033631272083157	1.0635301106486095	0.8405255366073703	0.8943160544194493	0.9107645429530417	1.0138002183124375	1.0620645863823839	0.9918472767302309	0.9864998194021153	1.042613753638665	1	1	1	1	1	1	1	1	1	1	1	1	0.7877124619235742	1.770336467435407	0.8669421550643907	0.9748996039410783	0.9828464316820348	1.086602207100403	0.959876402363652	1.387043273388328	1.2164116337467852	0.7598066231990158	2.552623982861338	1.4482191223543395	0.7597339673369731	1.713647311389585
194.094	L-Citrulline [+F(-)]	cpd:C00327	1	1	1	1	1.1244324662253427	1.1066307394091321	0.7738380681033327	0.7878609596805493	0.9513267306059399	0.9316668915195339	1.0673974969592925	1.0196833699379955	0.9362980332229943	0.9508087828416858	1.1386995375848796	1.139499895479076	0.8239255597747014	0.8104057230672821	0.7763061501085726	0.7686457394025324	0.969141595592309	0.9590222755519469	1.109858772827839	1.1398728274767511	1.176605132904001	1.144634696164054	1.286918631188001	1.1939815322965666	1.0183730381589302	1.12112797948312	0.9378522569597997	0.9521200313081155	0.9110517585629815	0.8335829947172918	0.9826378704068235	1.0391696619923887	0.9875180650450015	1.1063209383218362	0.7958100536899132	0.8391048063742954
195.029	Ascorbate [+F(-)]	cpd:C00072	1	1	1	1	1.0457670893044344	0.9812987515639926	1.0019541987551543	0.928104592419644	0.9215266832280374	1.0463856869690158	1.0579910587952803	0.9614433311669693	1.0408422068099625	1.0928264925881757	1.0602609284373499	0.9474041884927291	0.702575799675722	0.8035056177587319	0.638867760035492	1.0538995279256245	1.1889428781693867	1.215171972851187	1.076110434552962	1.0977385976481229	1.0609377064097456	0.9753951711753468	0.9196656535977443	1.114079894890225	0.8569707098738644	0.9081480029560279	1.1833955364011626	1.3153860812942344	0.9573389411795402	1.0432167349871546	1.124674302574411	0.8497942799520397	1.2635204927103139	1.1530415759701826	0.5115706049190336	1.4727291021545907
199.002	D-Erythrose 4-phosphate [-H(+)]	cpd:C00279	0.423703574036483	0.6060494590130489	0.7212807627424324	1.2790368310698486	0.9643554961005586	0.8797507181212993	1.0451116751124696	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
199.062	D-Glucose [+F(-)]	cpd:C00031	1	1	1	1	0.9925308132726557	1.2804033311567489	0.4960919954456622	0.7450325228513288	0.7845982562622017	0.9611542673733977	1.2187004150996092	0.9461363285341851	0.979036781661783	1.221174056210096	1	1	1	1	1	1	1	1	1	1	1	1	1.1102163026398062	1.4121254022714862	0.7654232882670591	0.9248022779314488	0.9589051915852002	1.051975041664487	0.6231743025695672	0.8877779260323686	0.8285016428432597	0.9342784519483056	0.7106777303370553	1.2168543260810796	0.6669699790333986	1.9466484387759608
200.074	L-Tyrosine [+F(-)]	cpd:C00082	1	1	1	1	1.0839433315287634	1.027425959483021	0.8983775444614998	0.9327303981186005	0.9766997227667653	0.9527771684393763	1.0942844846720932	1.0541780419152458	1.036894513343835	1.0101583406754753	1.0465285118923573	1.1301066163677287	0.8074369343871816	0.994063723727482	0.8107443195542049	1.1897181571389592	1.0786060910258777	1.0194056335439314	0.9528126036935609	1.0346200774119114	1.060572291428266	1.0566925062920942	1.1384296771188445	1.147915124396242	0.9860595207042815	1.0141753606413704	0.9496332166380486	1.0358833793541617	0.9213552832369444	0.8684330418507006	0.9841119243461878	0.9158108733991343	1.2182953449953091	1.1081461339598093	0.7417437021115453	1.082803328680857
201.078	Mannitol [+F(-)]	cpd:C00392	1	1	1	1	1.1607289235938438	1.0449857269612208	0.8596730188667057	1	1	1	1	1	1	1	1.1334112630885511	1.0762842462966642	0.8282070296654366	0.8528970371828586	0.6570744514259	0.9213367529270917	1.172503850284267	1.151363900626352	1.0320271617722474	1.1123655003394977	1.2560635095328765	1.1215112920908195	1.1856694242313504	1.2704990367120648	0.9419605422730741	1.0543624805700487	1.012353825945749	0.9761571348017949	0.9302351126373064	0.8496104827050637	1.027974104637351	0.8846176148645102	1.1521435052503066	1.1181523205208688	0.7806667007786784	1.0177061099691116
203.068	Choline phosphate [+F(-)]	cpd:C00588	1	1	1	1	1.0498714161164842	0.9069874310060034	1.0774426444566434	0.8418426930078616	1.0995275265407503	0.8563808638999506	1.0203430938136935	1.059676451922082	0.9142952757638105	1.0536689740104357	1	1	1	1	1	1	1	1	1	1	1	1	0.8876210533194963	1.1693723919619603	0.9463435959850764	0.9474715036742706	0.8945094612915322	0.7874126618409563	1.120176101742393	0.972625676922513	1.173742627634424	1.0602141941798215	1.0659681632628648	0.9585359731412582	1.2425305975085261	0.5472553466732909
203.082	L-Tryptophan [-H(+)]	cpd:C00078	0.5789895008553659	0.7703964909570844	0.7883220203876516	0.6588086051190148	1.0466623314087677	0.8824295767867905	1.048163692691677	0.9727447597458972	1.0624837219610876	0.9732159166019269	0.9716937796407771	0.9937295569652083	1.11596459903795	0.8858300753299597	0.9490521414795519	0.9500101973496811	0.9713005828759766	0.7639684437715096	0.895743095166626	0.9803660301277068	1.0195762208086654	0.9898583984954984	0.9394970567894814	0.9579014750599886	0.9986577750392729	0.9293575792587785	1.1763003184022023	1.0364762502239282	1.117979200140896	1.055005133458972	0.9677958849452836	1.0024887426462885	1.011390032903861	0.904370447880068	0.9817383693860047	1.060508660418618	0.9659981447726816	0.9851392496325626	0.990526191000839	0.9121604012516897
204.053	Lipoamide [-H(+)]	cpd:C00248	0.735219379678971	0.8627234469934142	0.8239808218558895	0.9413112106165414	1.0524923440246579	1.0191338216056482	0.9388519312155948	0.9323243327242476	0.9320003725485927	1.007044925564353	1.0498275779961286	0.9761834120151488	1.0646946049860788	1.040289917739089	1.1245026376160197	1.0114330299846193	0.8464357552093936	0.9509729950139318	0.7271192787265754	1.1854110350986693	1.150700076229668	1.021347940681255	1.0222698727234634	1.0334476763824452	1.1685957578506583	1.037970165074795	0.917096961305824	1.2234349259106732	0.8470830099385204	0.9659513089851294	1.0127229857036084	1.0556375656607713	1.009242820506952	1.0383273093453385	1.006259868544217	0.8269699707480108	1.1610316204654814	1.092622566700181	0.9196916349377706	0.9828121497992323
206.068	Dihydrolipoamide [-H(+)]	cpd:C00579	1.022817655632232	1.2299242800116112	1.3583920114089576	1.2970385675587792	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1.0158947682096193	1.18596484563342	0.9781187286193495	1.0586132948672005	0.9980174988666115	1.033539495287098	1.0034586424638292	0.9937802120326754	1.1095282813188871	0.9506721260714066	1.2130959947958189	1.0735244981663452	0.8736770916733544	0.8978205235954168
213.015	2-Deoxy-D-ribose 1-phosphate [-H(+)]	cpd:C00672	1.4791671822908439	1.4900248195401338	1.570598707565294	1.33565146023799	1.0518495284089167	1.236406331181751	0.833893050817692	1.056075787200585	0.9834536662950807	1.0859564544854696	1.4951620046712912	0.990293033839864	1.0039823473251834	0.9660685105628228	0.8832555551619395	1.0702110540316265	1.3448279713102567	1.0795571409257987	1.2160756220102444	1.0551057267051076	1.132926086903326	1.0102981472011003	0.9360349987380938	1.1424074457726678	1.0902262453931408	0.9505375445699772	0.7740646838011777	1.334757260681966	0.9461596917570145	0.9263573816634475	0.993458341836784	1.032477258599081	1.0634701899659116	1.021535289738742	1.1024097691456545	1.1735366996662593	0.9987181094102343	1.0179094672544609	0.8463926102368292	1.1934612217475153
223.086	L-Tryptophan [+F(-)]	cpd:C00078	1	1	1	1	1.1444579624008309	1.050516905734592	0.901835696975293	0.8461178916867774	1.0534739290719808	1.0306183131803406	0.9796835697558621	1.046708491536936	0.9728798949194821	0.932025183063026	1.1483119501518253	1.1296969359607834	0.9380795998344974	1.1086534439820146	0.7216288014905144	4.078202276574783	1.0564929745008202	1.0134486807040761	0.9949510402617828	1.1010079331137645	1.1958382885399284	1.0177333265971504	1	1	1	1	1	1	1	1	1	1	1	1	1	1
224.057	Lipoamide [+F(-)]	cpd:C00248	1	1	1	1	1	1	1	0.8923199867835214	0.9107339767305919	1.0302667529500966	1.0113565616198308	1.0070125831812675	1.1178408128347923	1.0922512203749415	1	1	1	1	1	1	1	1	1	1	1	1	1.0725115746800686	0.8970281188125363	0.7220303917333954	1.0265514279533268	1.1448588628262841	1.3099069685849563	0.6928094676589658	1.148888418817798	0.867990644313147	0.7218501370056157	0.6935636115131153	1.013295567067446	0.6702549540736372	1.5585034759150247
226.071	Dihydrolipoamide [+F(-)]	cpd:C00579	1	1	1	1	0.9880616088901896	1.0838752140627859	0.8635030137751825	0.8654123393585171	0.9344510690204291	1.035347480422831	1.0162856219808956	0.9601669785251659	1.09766855429742	1.007171965046109	2.334766572571764	1.034092256013049	0.9819998051872822	1.0529334481124892	0.8391968816023773	4.935762043110276	0.9647954345186722	1.1154233267036904	0.9876252725031186	1.032312483770098	0.9074507968691704	0.9608152689972271	1.116353633901677	1.0178205920414714	0.8762714949047832	1.0266526006872565	1.069419863187483	1.1342120153444986	0.8693224287806636	1.0035758239586852	0.9501742580505845	0.8154751071033197	1.0101186969512783	1.0667269005104008	0.7493338891616809	1.2797714992428528
226.084	Deoxycytidine [-H(+)]	cpd:C00881	1	1	1	1	1	1	1	0.85441118462405	1.0563684250330727	0.9890897162253108	0.9992393985453837	1.0085578968575086	1.0323471646347344	1.000787705388512	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
227.067	Deoxyuridine [-H(+)]	cpd:C00526	0.8002651673635081	1.0286859227478216	0.9680953373634235	0.7896248072493033	1	1	1	0.8859681891608159	0.9594438091135449	0.9700099606985417	1.1135079075300238	1.008169914329687	1.0140931637286	1.0360154201158176	1.1809475938794163	1.046201118373739	0.791556555719774	0.9590559839086396	0.841089366518123	3.045797246231538	0.9965591104621101	1.1064736362325098	0.9652083153943055	0.9576798450083964	1.0366385860257343	1.00141198978503	1	1	1	1	1	1	1	1	1	1	1	1	1	1
229.012	D-Ribose 5-phosphate [-H(+)]	cpd:C00117	1.0200293646156822	0.7652754488865509	0.6051231679001766	0.33476945985738477	1.1229007613838908	0.8742929298359959	1.200376800640618	0.8761436327929327	0.8504507957038492	0.940006189866684	1.763258382177852	0.8235659403101034	1.055705320374532	0.8338198087582499	1.0257836285942645	1.3580264733085377	0.5717900039269007	1.113658730023839	1.6242479989529814	1.589885837297486	1.1700071935448146	1.043207067003099	0.7633434858647901	0.7916391174661435	1.1843783331554347	0.8523874807885053	0.9693736536720218	1.1399194411211975	0.7998240066950824	0.9186870003295585	1.003808595836493	1.0550689909680955	1.086269741194678	0.8302301423908064	0.9544348959019766	1.1440044437498418	1.1143453063221904	1.0795204888843664	1.0498922868398042	0.8515552618734895
241.086	Thymidine [-H(+)]	cpd:C00214	1	1	1	1	1	1	1	0.935790779321627	1.0324068963530633	0.9284068403413447	0.9335114280339868	1.0440771910124584	1.0504494901277868	0.930174562716176	1.169463364737343	1.3155949988849878	0.7322455142659515	0.8954522521173465	0.8227572455302014	0.48463160341696376	1.0950018640312702	0.9405296456310231	1.071676659832907	1.1068361037680796	1.2696648954696055	1.2292632756569126	1	1	1	1	1	1	1	1	1	1	1	1	1	1
242.079	Cytidine [-H(+)]	cpd:C00475	0.8343343478162147	0.8163676927805993	0.8075013750083392	0.7619465895420291	0.9857730839046013	1.0040374274052875	0.9712295983755953	0.9798400972639404	0.9841495886566937	0.9852048521587496	0.9540198348320732	0.9680701416844166	1.098873207677738	0.9556319250608917	0.994877787774228	1.1003917526753326	0.6011972752337422	0.8403011570826143	0.7363864854400807	0.9602851355575949	1.0732835518533494	0.8260218622318636	0.9993790635317519	1.0507573387611346	1.150137682356273	1.0962136496414476	0.9907124860970262	0.787314046197516	1.0164368834435322	1.1379506891468711	1.1007331446925228	1.1912582589101348	1.0177489430137343	1.011222471135835	0.9706880113992786	0.8793160608109221	0.8766665127754503	0.8920285735902354	0.8533087320649351	0.7373483834554944
243.063	Uridine [-H(+)]	cpd:C00299	0.567454092661877	0.564573845682913	0.609975138403897	0.6428126972500128	1.006344566556847	0.8672682927300619	1.1470854948358196	0.9439391678703966	1.0795775069862104	0.9725664916914124	1.0151212999077757	1.0937186816951752	0.9616493952250713	1.1025120341478738	1.2075174069395203	1.1028422455725482	0.7547994243258893	0.83573495206094	0.9326775041270472	1.1759883401832254	1.07905267091206	0.9082404219417888	0.8993070011556223	0.9819122534410348	1.0747066769429932	1.1124123912704083	1.291331484893537	0.9521003842422703	1.0118632683815916	1.0008138042439432	0.9977262311910443	1.0454490198082795	1.0635418947780535	0.9747292352672736	1.0760490526198467	0.9884192397010504	1.0760760161525844	0.8679395899491551	1.0660037883590594	0.7232590095442802
246.015	Pyridoxal phosphate [-H(+)]	cpd:C00018	0.7951333529667196	0.9808302472300378	1.0525572208450387	1.2148992638556158	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1.2764821637115897	0.7160496763055149	0.8540613370725458	1.1958252277187378	1.3277867207327818	1.5162314101848324	0.8525671971092943	1.0785553793535387	0.9254105797985822	0.758585992990163	0.9762325750773668	1.0935204743774558	0.506052372234468	1.4701257870388353
246.088	Deoxycytidine [+F(-)]	cpd:C00881	1	1	1	1	1.1120593509813848	1.0643405960571528	0.8613946751109848	0.9199804816089886	0.9856678483453808	0.9506745030253795	1.0507300637588122	1.0714124690605422	0.9661293685573549	0.9972139625897066	1	1	1	1	1	1	1	1	1	1	1	1	1.170273833784727	1.0702378506657753	1.00771323910257	1.0750646086786078	0.9933728872283678	0.946836131006888	0.9626685715187228	0.8676309716626509	1.0731762362878143	1.0002938628060694	1.0745525291159015	1.0906437159650653	0.8614737770720542	0.8627682253400265
250.094	Deoxyadenosine [-H(+)]	cpd:C00559	1	1	1	1	0.9806998437978407	0.9226598747558986	0.9848589647523509	1.101523980537911	0.58138280790684	1.2832848708633737	0.836211527692744	0.6206761570066218	1.532751435827153	0.9912111904156667	0.8082940883174871	1.1260575319861066	0.7108932754386272	1.5748582891226643	1.1719089388468729	1.5473005643713456	0.798088674295765	1.0282635155953288	0.9900001094694648	0.9952875535755771	0.9433833148456684	0.8626151130953146	1.3070796559341251	0.24102810051154563	0.6501161491101889	1.478076653595171	1.692357137133901	2.176425472684089	0.725611016453546	1.5792223978628317	0.7227256338120115	0.4769832941682363	0.8758111352697051	1.0524167702644012	0.264212161548453	0.8127937622663902
257.104	sn-Glycero-3-phosphocholine [-H(+)]	cpd:C00670	0.93508865280033	1.1126866348818976	1.243167133290998	0.994758590243059	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
259.024	D-Fructose 6-phosphate [-H(+)]	cpd:C00085	0.7617415237620774	0.6637565114800108	0.6561560189557547	0.5278942634035362	1.1446405682164211	1.3375018599857151	0.9038683630422409	1.0303548895089745	0.8856340927406872	0.8758710155096049	0.8881006742967001	0.7659031367327938	1.258330139855679	0.9895740804838893	0.93263421314894	0.9796552796427693	0.9599215352881635	0.7922336845316652	0.6814878700422817	0.5486706821588122	1.2515387894968124	1.2546287865635113	1.2490839949858366	1.0868763473033571	1.1535452085237201	0.9799311910520146	0.7654723558650324	0.9447447703867362	0.9496224850327779	0.9703837867510279	1.1623368552997335	1.2275006630629464	1.1088844870703722	1.065248206762417	1.1896344100413665	0.8904424235151888	1.0600413899854886	1.1690199055069168	0.5974140806987471	1.3081140422024313

# Standard Deviation of the fold change values, corrected using median metabolite fold change values per batch
Geometric standard deviation assuming normality of log values. To get absolute values mean*2^(log2(1+-SD))			M129_timecourse_6h_3	M129_timecourse_24h_3	M129_timecourse_48h_3	M129_timecourse_96h_3	24h_timecourse_4	48h_timecourse_4	6h_timecourse_4	TF173_MPN303_5	TF178_MPN250_5	TF187_MPN674_5	Tn051_MPN051_5	Tn674_N/A_5	WT_WT_5	dldh,NoxE_N/A_5	AA_perturbation_6	Fe_perturbation_6	Glu_perturbation_6	Gly_perturbation_6	KO51_mutant_6	Ox_perturbation_6	TF173_mutant_6	TF183_mutant_6	TF414_mutant_6	TF462_mutant_6	TF463_mutant_6	Tn674_mutant_6	blank_control_7	Gly_ctrl_perturbation_7	TF173_mutant_7	TF178_mutant_7	TF184_mutant_7	TF187_mutant_7	TF413_mutant_7	TF462_mutant_7	TF463_mutant_7	Tn051_Gly_perturbation_7	Tn674_mutant_7	WT_perturbation_7	WT_noGluc_perturbation_7	water_control_7
Batch			3	3	3	3	4	4	4	5	5	5	5	5	5	5	6	6	6	6	6	6	6	6	6	6	6	6	7	7	7	7	7	7	7	7	7	7	7	7	7	7


m/z	metabolite	KEGG ID
59.015	Acetate [-H(+)]	cpd:C00033	0.010422359448373136	0.12478569461208033	0.3139648950727054	0.19525435786682718	0.31420541936005697	0.2567625163539551	0.18953077036862737	2.3406635272921276E-4	0.536653409599258	0.20716782465966277	0.3172759577484522	0.43250050004559853	0.2828688445921118	0.4450128216014907	0.1915522731973044	0.2230672076963204	0.14421255195346064	0.13787710342993265	0.18259767485244296	0.16367475329120756	0.16176823513891012	0.295888727724913	0.3301524901800953	0.24060179169989637	0.1049093640750543	0.029332397417342414	0.22278334033323524	0.2511090213316432	0.15665950980213464	0.1619286433736492	0.0523741206325975	0.13286255683589918	0.4599985254919134	0.22790937670716302	0.5967861214210386	0.09179121840539753	0.06889346812800912	0.36576628036707043	0.0700850426335601	0.12410195869402284
74.026	Glycine [-H(+)]	cpd:C00037	0.17525997611883246	0.054990376800221265	0.5614471529912257	0.2263681677356793	0.11603841235803258	0.15640240828097715	0.14975288122558575	0.009911904970231271	0.05514608710580275	0.10101228655807888	0.21639974792279562	0.03229629087490771	0.09737007765710433	0.24810948574320274	0.13111843534061043	0.10407492536145976	0.12827661237826612	0.14331407639972787	0.2239279588077284	0.2775860028393048	0.1984846220409685	0.06565081847657062	0.03940364803959378	0.16264700728782405	0.032882858606628	0.15581177694297346	0.126711765822485	0.28597020581800475	0.18526879634156784	0.11860771255105124	0.10919296774345073	0.2479145021335068	0.1940685788777726	0.14879002726432275	0.18058809627303693	0.13135848528363714	0.1431312510998628	0.15998004753985165	0.23188930573426803	0.2568994553875161
87.007	Pyruvate [-H(+)]	cpd:C00022	0.023572838222344735	0.20678413118936997	0.5818903979115756	0.641954640683848	0.5890091384458853	0.2424332406423986	0.597940904647548	0.15622298044352484	0.09323093684180385	0.19520200264626764	0.11356471451851365	0.10921326243227017	0.22901365643489027	0.18845314822671713	0.1612195188882726	0.07069085528282776	0.14736920341685983	0.0682685365056386	0.20010047984089688	0.07915348554525355	0.1885355883848589	0.23714738338625788	0.15993912014900805	0.17840248754933594	0.031278127727150315	0.041535041578363754	0.1807217436599648	0.0497456408003661	0.30211056291324523	0.2724099444679927	0.022482886559768087	0.2128203468963732	0.4363270062350722	0.1495694979119514	0.4389070386908259	0.2321458830044049	0.02271091014204241	0.4338394656553729	0.12199420048557284	0.19472787603335884
88.041	L-Alanine [-H(+)]	cpd:C00041	0.094532640264773	0.014218039524281781	0.3150684690529941	0.48065398460502984	0.3255693084135713	0.1908512961839228	0.23541829981054893	0.08476835720301613	0.2947839350761825	0.22039082602765647	0.15729194319472942	0.43438109506995715	0.268977142768395	0.22486182859465298	0.03901633029000482	0.05106141760484644	0.07890977269420522	0.053326286125777084	0.1667029796321941	0.11588113917272355	0.06327025311337404	0.045027924151976886	0.06076063074261546	0.056150725194876995	0.02165479048019098	0.041278640754228955	0.11425670512480346	0.03811603710500128	0.04622317222454939	0.03666094531760349	0.043392807517939086	0.026718038460841417	0.04759517978651745	0.05730122190635163	0.13078517859190736	0.042537723179462	0.061515566449890945	0.05390583526339836	0.012832613750066144	0.011060822900186288
89.026	Glycerone [-H(+)]	cpd:C00184;(S)-Lactate [-H(+)];D-Glyceraldehyde [-H(+)];cpd:C00577;cpd:C00186	0.144921560331989	0.19428592555765997	0.5517505365119423	0.6291806497636199	0.09883265116856711	0.14936646512588259	0.0995909591547794	0.14130182599567037	0.33623995753004676	0.17609499571088885	0.20137324981538474	0.2648264076999772	0.3378002073072581	0.46471106712237675	0.07069300933831259	0.07953832130780152	0.08686103357763093	0.01737944131302667	0.3850611590300118	0.14112399351457586	0.14678713734222396	0.11598585766498926	0.08407001623746876	0.1303485363407426	0.06509446072107902	0.10491633736028777	0.2068467494355185	0.17816708615589621	0.0690077406137103	0.18011734939783733	0.12746374936256563	0.14570084775739126	0.24342604665862802	0.17622273683831063	0.4482198972124508	0.17649426354890121	0.4092918304250624	0.3887204421011467	0.06861499286202559	0.014060660977696487
91.04	Glycerol [-H(+)]	cpd:C00116	0.27379670718858823	0.21472542613017298	0.1438249008428967	0.073410124177824	0	0	0	0	0	0	0	0	0	0	0.070724873669433	0.1937065159191247	0.26505015764011924	0.6789281944377187	0.3558260083218391	0.09272218514834442	0.05223512471484685	0.2808301798559858	0.18586628358282287	0.41582721229235675	0.35815187851450625	0.24553704550986058	0.32199999761264686	1.1180159526135824	0.26842608946492647	0.6914651276088198	0.4482088942516796	0.0996852019755353	0.35434964884463527	0.09045492640639569	0.48877322619492986	1.6151296311302006	0.9455147832426626	0.5114335070006377	0.22240046063326646	0.09749713781535428
94.03	Glycine [+F(-)]	cpd:C00037	0	0	0	0	0	0	0	0.3523356481417159	0.40353500545757076	0.35908793386467835	0.17783364479568795	0.5355238473615628	0.4030847188634289	0.3006886873001159	0.11400576333015999	0.22257964459833285	0.04731327764359736	0.26360786172412337	0.2326836131390752	0.19914243507977905	0.019359991855332506	0.3245974303957595	0.33482585423904143	0.2663576534055361	0.03707568431602222	0.04831743469980727	0.5463069628780066	0.4905136491610809	0.46798119560305373	0.48953124875437215	0.3215893228843946	0.12430468676391856	1.3064312008229453	0.4178709768382254	0.5564525838928488	0.53191220406864	0.09484802928818202	0.08823122349495659	0.12560775893638548	0.3835365988741363
96.97	Orthophosphate [-H(+)]	cpd:C00009	0.17812801660193583	0.30389742739364384	0.22449664002787564	0.3940012019326883	0	0	0	0	0	0	0	0	0	0	0.04256236664951486	0.014353063064127534	0.05264783188112539	0.05118225063642962	0.22025716790359165	0.2763734837451712	0.05739413928205459	0.12221600295875605	0.088770243568956	0.06185928784496783	0.02743440192187765	0.03152235081499938	0	0	0	0	0	0	0	0	0	0	0	0	0	0
104.036	L-Serine [-H(+)]	cpd:C00065	0.08261047962403997	0.10771081067364358	0.06973228404812966	0.33345014744443996	0.12187093992481027	0.14025669948990382	0.12183501590500725	0.17314387612868307	0.11427769709932566	0.16617041185363302	0.22739263950636282	0.11415890012728966	0.3019507701559248	0.45274102132048744	0.14845053658400773	0.1837008904634308	0.05344662378828898	0.13519697449643406	0.20662398448428856	0.09264241644896018	0.07861949999338033	0.03589288659554661	0.0678523886957859	0.15994423641160027	0.08371008876122389	0.015550930345375993	0.12205645757601728	0.04515039864524588	0.07469215947350816	0.1265682377949595	0.03911474773422515	0.10258640694509151	0.10723832455772124	0.12068003949290725	0.3624183234477206	0.02564652548354892	0.31646855237259247	0.19580007715460196	0.18175843643649378	0.22657936327040815
107.013	Pyruvate [+F(-)]	cpd:C00022	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.3110158466362619	0.17979288380469516	0.19983232377051785	0.1491020412107638	0.19197390666187322	0.21712953161158333	0.25638077606335874	0.032975143006997124	0.393516313254909	0.15433154196129162	0.03621144750880674	0.3069434063799992	0.021704404606133713	0.017155998208072704
108.046	L-Alanine [+F(-)]	cpd:C00041	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.1370608597755405	0.26279501567108837	0.048966663191131854	0.09234569092457194	0.15433072036810516	0.14261750920939803	0.10027849968650074	0.3148671897163048	0.27992393896324747	0.30977894725604477	0.0201400316366155	0.31152716330368196	0.24605124806463866	0.03665353913564721	0.1416728891203553	0.4805589851155182	0.12169057297662397	0.3026823890270948	0.9096147810067854	0.09651062433108093	0.39059040670919315	0.3229635089491801	0.3492199957644725	0.48814795536920064	0.07274229273596731	0.2310701626469709
109.03	Glycerone [+F(-)]	cpd:C00184	0	0	0	0	0	0	0	0	0	0	0	0	9.42055475210265E-16	0	0.192640241087421	0.14930013975391362	0.07195516161667635	0.08180760288561799	0.34518876782689367	0.04677999139976147	0.14566101540568305	0.36179036563378386	0.28504908210457847	0.18405340779859594	0.04665586934416262	0.12690727167522273	0.24808912156569504	0.05986511809622349	0.13159424585847368	0.4874775884906531	0.22603054041547604	0.34919809796377316	0.6946831202135554	0.1090481123178168	0.4598363286275444	0.22936082895386495	0.5373288237813475	0.5085258704363791	0.0957818973523852	0.21599699084172946
111.02	Uracil [-H(+)]	cpd:C00106	0.17922941652317964	0.16166826486099264	0.18747173730889952	0.14949344655143149	0.08316884990211643	0.15494184478437564	0.06684948139404119	0.16930995429393236	0.13515664872401775	0.6362674223792956	0.1488077526466189	0.2784063357403261	0.17701208201960208	0.1655231593538162	0.10383144234505064	0.022455352614782834	0.10059204211679965	0.016646451883141268	0.25385759755697646	0.12979424632309086	0.09388007603861034	0.15698393960749737	0.02674984955166856	0.14565717774837067	0.08338237022367273	0.005692646505784573	0.172516621878581	0.11489925823225683	0.08065135585196218	0.16574549026765137	0.10009311287786353	0.18434562504769286	0.06983911051284461	0.04528155756255756	0.12784414208053518	0.14716195509730012	0.15713465683959132	0.3077080919069069	0.2615578771068171	0.12199431294298459
111.045	Glycerol [+F(-)]	cpd:C00116	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.2435286910645685	0.02666007623295446	0.1621794625308197	0.41065482157663374	0.2479035169645688	0.32680909665128777	0.6195277831777874	0.04214158617949569	0.43244401205188554	0.2889949866946224	0.46352240522561633	0.6173646081203935	0.19367604339427605	0.16633130278177094
114.056	L-Proline [-H(+)]	cpd:C00148	0.05453733902404231	0.139335391363308	0.2899969058488998	0.435750941305573	0.26822628970676204	0.2674445262869151	0.1749940158442365	0.1218725771965594	0.41774116579661164	0.1295698165180064	0.16748251826519578	0.1399952390644696	0.27142248167139393	0.12131679371089892	0.22491209660304742	0.10764619645246391	0.1429196026747631	0.09249039937071862	0.1665595670581646	0.03292762941692706	0.17766244263506292	0.23636733729236956	0.25390875839172244	0.15358505283733026	0.09444916490194724	0.09399994403583256	0.04037286789042541	0.0691369949262125	0.18708310810932632	0.07295813950005228	0.07421337315465538	0.10413735359128135	0.14901446950043748	0.1851472400801354	0.38618099102768133	0.09712528328935431	0.11745087208770001	0.252441285499417	0.1979546574012849	0.017014641864385872
116.072	L-Valine [-H(+)]	cpd:C00183	0.047768747312782175	0.04987159458876347	0.07551106807758927	0.22747070760569804	0.12203462643513886	0.12503495148477578	0.10615787955103884	0.032495053110277075	0.13216015811538812	0.1048763599827846	0.0884996097257017	0.037705216675622065	0.06866617302729613	0.019990466907698186	0.02239843795185041	0.057114165599749585	0.033427382002858184	0.11278328442747194	0.0714014769615482	0.015661637788494272	0.04450145762917944	0.004456776696200864	0.028874189777569153	0.016367370215338784	0.059862083534366506	0.036856801985463775	0.07168246034582719	0.056878439615979805	0.034996446365243225	0.042603938676481955	0.03830397323001361	0.0514885930700832	0.06142655784918076	0.062443438265978285	0.018408607010969247	0.0850799495617534	0.14354393308960617	0.07368094183126328	0.040803987160667264	0.042977704490889966
116.973	Orthophosphate [+F(-)]	cpd:C00009	0	0	0	0	0	0	0	0.03499099179039141	0.4487771777006215	0.1440877562281774	0.09237662616472966	0.2306354450143706	0.2551588738753803	0.21783024826144184	0.20408550467773617	0.07493308952217988	0.26553386562669695	0.2697466609464314	0.14167475257925322	0.1519574095833065	0.15181100189693086	0.10242939134820218	0.07955059809437649	0.09814313070789968	0.09052217487733055	0.22308133643178743	0.28248221809658	0.1856688687106967	0.35149463878045967	0.11633422707923641	0.35307888704827367	0.42241382262782495	0.3202497181726858	0.1340741973972593	0.2602311933156481	0.18449509116322094	0.8922856687624119	0.19819761683309148	0.10156903134341376	0.7011881521181298
118.051	L-Threonine [-H(+)]	cpd:C00188	0.05323581799721832	0.07985079375070982	0.10434739731021815	0.2758730795238468	0.11885408327504703	0.08674131679522852	0.12158293396717823	0.16130687268678157	0.01690988874634449	0.07875328092830396	0.11128125875494452	0.026400365007651586	0.14904526758728798	0.14583279595698787	0.1549372477455951	0.19956912680364478	0.06901163619971327	0.05307585772609376	0.24219204219281654	0.10888588288551869	0.11121196823618139	0.023531027066266835	0.04650921167235495	0.11506422793465766	0.0462552754160356	0.05608290582227238	0.10237231708958848	0.1451262618109754	0.07189324956333887	0.12455884535158367	0.10746311127464038	0.06254219330004997	0.10384928018625571	0.14357427879385423	0.2771936052130762	0.030207012930950544	0.13829608266905413	0.174774531629966	0.10563975679895873	0.08200062253467505
120.012	L-Cysteine [-H(+)]	cpd:C00097	0.24588040298053784	0.22886463755512843	0.023770875713891436	0.26709091430912907	0	0	0	0	0	0	0	0	0	0	0.04629461545789495	0.345038380224647	0.027282915376397814	0.06740638896366481	1.413773233672452	0.39595522367751484	0.18433076739826937	0.001867846568191249	0.586366787961052	0.43065849358386493	0.6328467930824542	0.5576129992806624	0	0	0	0	0	0	0	0	0	0	0	0	0	0
122.025	Nicotinate [-H(+)]	cpd:C00253	0.0479033041583899	0.2705504292654624	0.12733284608666318	0.30409195810275824	0.08291670047243278	0.10965428445847727	0.18925178116528096	0.1128866227783971	0.24206745202485327	0.3934603114569561	0.18533419941263993	0.24135129837719804	0.33715880706040025	0.24881524982222553	0.10715640281962045	0.10201536447363149	0.09391373785270304	0.16079488403664077	0.15813818629149848	0.14545821159883118	0.07662544807459189	0.15563699696463484	0.22250060604816888	0.18354156476258274	0.04131376203471934	0.029945562430230825	0.3854888363809339	0.319943213544876	0.328625888258627	0.4310744750003854	0.19902197774658278	0.17680096352740407	0.807071901849342	0.2982978253319497	0.4599384415443026	0.42097710721300136	0.17808258655093123	0.2019553586398843	0.06687286911671833	0.24447410372581627
124.04	L-Serine [+F(-)]	cpd:C00065	0	0	0	0	0.11420137676347575	0.11189188030299323	0.2415008341378009	0	0	0	0	0	0	0	0.11291471842504058	0.23385441294686055	0.08679350892063876	0.14965741636870825	0.25619531711920174	0.31271463506417085	0.24281302428646062	0.3462926994975932	0.33369495272159494	0.2004877799925264	0.07118722343341097	0.0742072199331646	0.40118627001284624	0.33861007563117707	0.3642166494986603	0.5083644802558028	0.20461396000055157	0.22913465662980173	1.2685394578400306	0.32121148785557	0.4508087110474504	0.4167250975847235	0.2132804582995488	0.2604319906857615	0.0639202223992565	0.2955435870376828
125.036	Thymine [-H(+)]	cpd:C00178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.16358602952075815	0.19633334747185432	0.13924147471253726	0.18088479893400383	0.2335432329065452	0.0874654242861587	0.07968628027567376	0.12277726123818879	0.05724616554728821	0.1835323140752426	0.07797314182821985	0.03342710677278358	0	0	0	0	0	0	0	0	0	0	0	0	0	0
130.087	L-Leucine [-H(+)]	cpd:C00123	0.057499238254706826	0.027732689275722408	0.04197827061236398	0.05024756639605809	0.04466712308132669	0.07635813348535742	0.01861869954123497	0.011368358448370716	0.05042686446607205	0.1111974878978975	0.07572273740946023	0.040281695125149286	0.041532014305215026	0.03691234313419741	0.01119619433796859	0.029651764566401825	0.018268852690850892	0.03423487474913343	0.06426961009777571	0.043433165954485826	0.012909814164687897	0.0194532340063546	0.013674697679603874	0.014154307893867174	0.01828437956254237	0.002235957638038939	0.019620889624570655	0.06208013198063333	0.03171169251453956	0.022653735330680772	0.02518153670238562	0.01732053211526776	0.03239059885878748	0.04814286739670706	0.05236019289521517	0.03870105130590564	0.060549345534923533	0.013962119328115568	0.02283207442722401	0.01878447047698391
131.045	L-Asparagine [-H(+)]	cpd:C00152	0.3631568688228404	0.23867655830498258	0.13133950360777244	0.6969663541799045	0.06505495077724378	0.11583134404815125	0.0588974206138055	0.21386434101250104	0.06588458758446113	0.10418337068327634	0.09973791272254534	0.12411572223849726	0.13277927844800375	0.016966950020825194	0.26008454894287636	0.1491329123561601	0.11387160865280659	0.0726791735063124	0.13988066474128077	0.07967381472917236	0.09622715894375738	0.13682866071990807	0.10359973296287202	0.13363881793601778	0.09661522221901934	0.05473942674053222	0.0848423259869896	0.07076637320129568	0.013838374306534385	0.15605597881213873	0.19601007820682143	0.08836977939252832	0.025564563191582235	0.033220611558957724	0.21027216352892433	0.04486763086603088	0.20260002383125936	0.18225610387672683	0.0967037080854011	0.07007114387415894
131.082	L-Ornithine [-H(+)]	cpd:C00077	0.09287143809956383	0.09697138858952857	0.24053123746988	0.6470367606475135	0.22013804642935716	0.227847330711892	0.14314734321288	0.030248261002388723	0.1616300074602513	0.10151919802642068	0.1261108743879435	0.07065778764153685	0.20783889913298778	0.16137544798701073	0.0804840240345319	0.018375900455352274	0.07030836392967772	0.06079878687175292	0.09232018552753128	0.11032410808750248	0.03730325039299218	0.130204163740992	0.06267447304271681	0.0409239627405996	0.08188568419483287	0.0284642144208049	0.09379043193771452	0.22100140944700084	0.12145953245130438	0.11252826472552228	0.1809748516495006	0.22494190794442984	0.11510976877968375	0.12482377643629945	0.17125380361013598	0.1625035174793316	0.11310630052130208	0.15752457868142908	0.3982668173096669	0.1978783791803159
132.03	L-Aspartate [-H(+)]	cpd:C00049	0.04592706482006566	0.1363581354203249	0.30079010320391625	0.3008946688096573	0.31266642906232645	0.3048601646445816	0.2277481168304259	0.12430484272392694	0.24348811701251732	0.2459569004781367	0.17810250316759565	0.14435417029608608	0.3410699184941437	0.3469877172383209	0.0377740337787922	0.02680519996711245	0.0419415403943907	0.05343582447163853	0.2786562763411335	0.24405860700426105	0.05104971676306954	0.06268728096413233	0.08034390971870031	0.06810233727631486	0.04999469443509748	0.008415478538670083	0.13222719177555234	0.37356831946726404	0.14045775381976383	0.08309719931806706	0.05534063575238653	0.0508825883975729	0.13980148663169545	0.25942767560629365	0.5414910953039522	0.09070987535376952	0.09553356376489881	0.21498701972211945	0.11260640238805189	0.20171796354671326
134.029	L-Homocysteine [-H(+)]	cpd:C00155	0.023663373508265126	0.26612497205414	0.895193715798898	0.38450672217136755	0	0	0	0.2601871520025653	0.34003037438145	0.34748532766678486	0.15839389742653684	0.2240459966414733	0.29676076286182823	0.1291680041429902	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
134.047	Adenine [-H(+)]	cpd:C00147	0.11546476282129822	0.0258153986556066	0.23875564150583023	0.2019721480123511	0.043946371258692336	0.16309630268804312	0.04419999767013748	0.032224789010340295	0.06910095448150902	0.1934003573982784	0.1854693908154452	0.15160997323625797	0.15693775768827237	0.14106260416680239	0.07046618175704658	0.09502381319642858	0.05159319127733202	0.07016244649602191	0.2518923301034062	0.26314373712261135	0.06598279279179811	0.11633916113844116	0.042284403572379524	0.05539888547684093	0.02205065205337802	0.009997758752756146	0.05965084503048102	0.031901705979632954	0.08295826679292886	0.04783189981425748	0.06222314198049732	0.06894100377848518	0.3028508641568653	0.04885066794333983	0.042369822035522815	0.046850583357027534	0.15231584963938263	0.170665580369291	0.019656881226528845	0.01893441571242794
134.061	L-Proline [+F(-)]	cpd:C00148	0	0	0	0	0	0	0	0	0	0	0	0	1.88411095042053E-15	0	0.02600497001434208	0.08811422768883617	0.030863393760206352	0.11862874693621507	0.20465063971107517	0.32555052428132714	0.15620344219975313	0.07176117552470344	0.020460960559012545	0.0179575474479333	0.06676583435296025	0.06736651232393728	0	0	0	0	0	0	0	0	0	0	0	0	0	0
136.077	L-Valine [+F(-)]	cpd:C00183	0	0	0	0	0.23636479329081891	0.1854088862183315	0.13734091673406054	0.3282783014328894	0.10898460042467585	0.5026218022068789	0.1253307837161774	0.21186485492152504	0.3704362503100217	0.23074884165659457	0	0	0	0	0	0	0	0	0	0	0	0	0.21538712117783063	0.08434675517281082	0.05594285879620338	0.3314443813791183	0.1322517121886483	0.3197706721106764	0.3566589381449379	0.13840826897397004	0.33944367447818824	0.20655820801572466	0.2427762015350329	0.3360454743298839	0.10000555998042841	0.2253550758214296
138.056	L-Threonine [+F(-)]	cpd:C00188	0	0	0	0	0.14070940800101833	0.10813113848173038	0.26996216415009283	0.3474791272979185	0.12487572674381273	0.4482770136218086	0.07665314976748902	0.22304069631939974	0.2831585067776102	0.2219811113335236	0.12967234382419082	0.1308909488469745	0.14639225592603755	0.1078836006339903	0.24486505210163462	0.029123459500190362	0.02549040713542298	0.3622643607550489	0.12653497008058257	0.08703474495920921	0.1371201505725586	0.21684607457694655	0.20029679842937692	0.09196196755299323	0.11051182415580503	0.32479071958722755	0.08223263299893126	0.26898289089457444	0.40217655320741535	0.12954356678595072	0.2736955846840653	0.2553212843507844	0.20930724749359428	0.3417909230952108	0.0676642389626818	0.19780276696745763
138.98	Acetyl phosphate [-H(+)]	cpd:C00227	0.3854309290364768	0.38111695684469277	0.19624898754991393	0.26489566241459944	0	0	0	0	0	0	0	0	1.88411095042053E-15	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
139.975	Carbamoyl phosphate [-H(+)]	cpd:C00169	0	0	0	0	0	0	0	0.10497482691956893	0.326968505164543	0.30655611168288255	0.2036564878894014	0.208776909811411	0.21000745305515064	0.4317931986748836	0	0	0	0	0	0	0	0	0	0	0	0	0.126197718606407	0.4318584608979069	0.26582477998912246	0.13871999829325268	0.3119872557546381	0.15288234442526866	0.21338483380603085	0.32549237790731056	0.3264260834783239	0.18966044878885577	0.22146107390106382	0.42734778124413	0.1541973665948878	0.16713298583957345
145.041	Thymine [+F(-)]	cpd:C00178	0	0	0	0	0.1601430740219386	0.24908365851389747	0.28041493699803144	0.27982850766027034	0.07999977952517966	0.31609712753052555	0.09154532195008992	0.20852474237855978	0.17491057183037723	0.155651234062819	0.08651225417381748	0.1949827657666114	0.13028288172731337	0.15901509324082694	0.25120983414240705	0.11325822319940536	0.08088866198981244	0.18595270022239868	0.32006204326225685	0.17052668765560586	0.15507247698808657	0.16533499235680582	0.21085052390157502	0.07858741705585065	0.07432894145903945	0.39330880102282434	0.15331780935150882	0.24936215924232114	0.6545414299931084	0.06416914381144363	0.3010503935651993	0.2535546054293209	0.34689657599786117	0.30075566428011374	0.027455691111001643	0.21790549261625777
145.062	L-Glutamine [-H(+)]	cpd:C00064	0.0698608641939046	0.11203862233875832	0.1612149648776448	0.3627332849237309	0.10810030865324703	0.08815715150979112	0.06387204794342753	0.2611203902192273	0.13536211589039773	0.1832236780250703	0.16385100291108431	0.31395000502027426	0.32822239685994514	0.21319572632033398	0.046303082800290475	0.1508320048714028	0.05098299246262289	0.19275862597922605	0.25684032783873323	0.1393105657131382	0.11599233087086788	0.12158065156713087	0.1821153774945568	0.18352366555634614	0.10548328635944214	0.08615097498185431	0.09002773935731283	0.05910976845860821	0.20435113557852516	0.14827681354901964	0.5030975708996495	0.3624719311561691	0.49413505190556845	0.1986460250862665	0.020926037220240477	0.05420197050619443	0.33386807191925405	0.26283396699466194	0.18351300052469002	0.2751996767750169
145.098	L-Lysine [-H(+)]	cpd:C00047	0.13307519764076814	0.19572876292360616	0.27856676826837723	0.9615142798233913	0.18615171771519465	0.278472700743095	0.18958874125730402	0.0027824872992306985	0.4595190617013714	0.08779826796650395	0.051748570317619355	0.0936558133584683	0.3262506110727699	0.12576144792509175	0.05433177059701836	0.03294549946909877	0.04332500453111506	0.07699094106607336	0.02680385721858921	0.08429563356774969	0.0606958792584664	0.09061476311726502	0.005372048489599196	0.03516636228550045	0.048516224991011145	0.01848611059117486	0.13049544418799167	0.2622441642197627	0.1908079288302196	0.1679012393027448	0.20854693453555162	0.2563928068761512	0.21866050518551108	0.0764152721343126	0.1927079490924964	0.21699993544642313	0.10380250122489701	0.1812183194530865	0.38231029776961467	0.34156450159366925
146.046	L-Glutamate [-H(+)]	cpd:C00025	0.03212356407800925	0.14927201841014334	0.22046588599010628	0.17010699346599048	0.17746695457840417	0.2683293953841428	0.17285296708840878	0.0873486526678885	0.12085585795134557	0.2437478096633635	0.22454676381315697	0.07672300455904682	0.2780440552478672	0.30113958715133005	0.017971268903219467	0.05904382753243795	0.09126817008336559	0.01564828096379297	0.19017636616061773	0.17941871366731704	0.08781707307537691	0.12646867610481308	0.050589152456289734	0.02344553562611615	0.017452092155138682	0.024549971770164214	0.13218907052729928	0.11170344651125409	0.04501756114048805	0.055837627856117025	0.10500841685075647	0.06322501233586632	0.09320527432097758	0.17179546798846976	0.35649596104915326	0.06974030134891633	0.33573643789971674	0.09702273012658227	0.030835964169355117	0.17785005393061942
148.043	L-Methionine [-H(+)]	cpd:C00073	0.054727238639126985	0.05603132985203391	0.01914451222553134	0.18913798411972604	0.08532946849821982	0.110122580551571	0.0678608456915946	0.03556730785976816	0.04898440421559929	0.05962878242981715	0.11346919173916738	0.010760034101977924	0.04621067135264071	0.05810355050780212	0.05980387470398488	0.09764422720076996	0.032609014263276226	0.08730472469265622	0.06598716418914798	0.8843861256333158	0.03178003569479215	0.040808528388274	0.028444859471369016	0.0752564389561261	0.04678761876750569	0.03384745947449173	0.13852915910274877	0.11059507483006574	0.1263255771461872	0.17615679083560962	0.10352096260423603	0.1091427768793296	0.3341849030875857	0.20587455039366667	0.19207632044334222	0.08661718786421255	0.09540413612673733	0.09011565042353632	0.10381022360698293	0.15679560837432882
149.046	D-Ribose [-H(+)]	cpd:C00121	0.06771806469979097	0.056484145663083934	0.13521685999842087	0.08706151964129961	0.19820675061660314	0.13568733090309465	0.19373909431789268	0.17341258108579033	0.5912928667913434	0.2987138412861453	0.24928099356518352	0.4182517671876113	0.5570488210396516	0.5385440935025055	0.1320445910255813	0.1605294147929384	0.1338478335274895	0.08570698801271101	0.18414832800201275	0.2239748791835799	0.1742677248760463	0.24557669484579908	0.07939006286881735	0.14281402146835528	0.04582951778975583	0.11775355677784725	0.604576935487548	0.4127444351041047	0.648453736200235	0.453627139661834	0.5689450967919674	0.08247929705816912	1.3730741173303884	0.5524324456077742	0.9586933544029633	0.5034534024428695	0.567653657687822	0.07159179919894162	0.07951848729736595	0.46838285293198567
150.042	Guanine [-H(+)]	cpd:C00242	0.278038441349892	0.08357413686112465	0.22250014507498353	0.1739166030669083	0.14859617391216753	0.11179183109744802	0.17699128650888307	0.06172177266373172	0.07042397194205435	0.10572095882313123	0.03968978746622026	0.03739473663584861	0.15325579144351642	0.07023895500067807	0.11135928359766131	0.047027233251891065	0.09326688499374376	0.12126881534638399	0.05899525979927875	0.14481054276125863	0.09356126032647906	0.1539550802656334	0.1213307240197143	0.04601414711738459	0.068287853428205	0.1909932039817706	0.1310413632004315	0.09334338520642012	0.09708094535936969	0.07216838649846068	0.09624369884889059	0.08998413320197399	0.21749395745191388	0.06229526324604242	0.2950423627809841	0.08392755919591673	0.29617510017702886	0.16880377900948884	0.06316518089326337	0.1385118268543873
151.051	L-Asparagine [+F(-)]	cpd:C00152	0	0	0	0	0.0936694865826308	0.13621236005945758	0.23722834651508043	0.2506386039835155	0.1367457337775236	0.4675398438179869	0.12321478516668892	0.27586573727910096	0.27170806542737574	0.22929787867281007	0	0	0	0	0	0	0	0	0	0	0	0	0.26944824678860635	0.02275851871441319	0.01790003417842456	0.2824958303685723	0.03820770904254609	0.17812081578986966	0.2878949393833471	0.05601988194429403	0.1000142650707324	0.22397334121077428	0.27216832012219316	0.20082779727825167	0.08980708563855624	0.21147731724280447
151.087	L-Ornithine [+F(-)]	cpd:C00077	0	0	0	0	0.11965974012095372	0.17133525583418852	0.26287107949749783	0.14937403054588363	0.18935445136213147	0.5023354019078515	0.26732111460436647	0.44661746102977895	0.36629576531270863	0.19069488893638578	0.12628031832260891	0.21275840457017592	0.13909479321134027	0.1257662634075684	0.32068135914853807	0.44138112375971783	0.019505796417108173	0.2575795999796734	0.11736929582333633	0.3040095259233196	0.20059862688092486	0.08157568133835273	0.3488446023047662	0.2999638614207806	0.24031462926353933	0.2563659930945844	0.16511900569546847	0.22392894261712817	0.37414402300398014	0.23148219608313075	0.20983901756892004	0.16907072077069607	0.37556108384782516	0.18044326714188125	0.03500167396617803	0.15202927309609793
152.036	L-Aspartate [+F(-)]	cpd:C00049	0	0	0	0	0.07348707739339219	0.16150233767002603	0.054705425206323495	0.14525667164387357	0.14714803254368797	0.4204870277080874	0.06697619220322958	0.1411216119037632	0.24906653558006658	0.12087350596271611	0.15236209545994286	0.0847835515988292	0.15390085339212384	0.23229662948275578	0.49223979942451146	0.31015240029266217	0.11737649957355732	0.045622997622357594	0.08226351073032866	0.019404483093296596	0.07582939306367828	0.032343848228625745	0.353734891616259	0.2738269320044128	0.3429083827245818	0.37204382976753714	0.2688114781889274	0.1323170447271215	0.8047607516738913	0.32191836561320414	0.47493807271226174	0.2863971540547906	0.23449342479479063	0.19309068966831183	0.031074032862835617	0.31426475833239886
154.033	L-Homocysteine [+F(-)]	cpd:C00155	0	0	0	0	0.5125787898205811	0.43798785557149045	0.17107638592705113	0	0	0	0	0	9.42055475210265E-16	0	0	0	0	0	0	0	0	0	0	0	0	0	0.1801267507288754	0.1782419205042541	0.11952876229871938	0.33035330915472744	0.10755074893948631	0.05769810269606448	0.35102656263906573	0.1730807860343869	0.2511776100713219	0.16535648664851876	0.2911125312503863	0.1973947392017194	0.1209083909875928	0.03279623082729555
154.052	Adenine [+F(-)]	cpd:C00147	0	0	0	0	0	0	0	0.1369135977343571	0.07181345724727826	0.08923151914921204	0.16185153508079372	0.04318304599446518	0.1411611255390142	0.14005476494671018	0	0	0	0	0	0	0	0	0	0	0	0	0.4569286358645622	0.4140947755875045	0.408788227061371	0.5178025114830026	0.3026707167238599	0.10963963424581567	1.2314419945018145	0.3412998074267489	0.4951885714155483	0.5229994747163	0.38049305086965485	0.12009750581112837	0.006663619659542378	0.33894746172244217
154.058	L-Histidine [-H(+)]	cpd:C00135	0.13731345097102193	0.21624225088909088	0.25622001125022864	0.8374193733788575	0.07437978835466964	0.08745869098297201	0.09291058522618172	0.0026951390109929336	0.07874275450559022	0.27238938596229045	0.23947798824793878	0.07711840646740385	0.2365788959015172	0.16541429175441588	0.08370651536231441	0.06933206117576415	0.053721468353251034	0.07477097684533089	0.14127232583809823	0.12653301835194622	0.07201067678506382	0.0063276865493153865	0.03076830268561131	0.03698630762049343	0.019707151232443813	0.04299908907535833	0.0497482540121354	0.07326679799391987	0.03658724647508232	0.03344685898400487	0.12946679625865967	0.09077446748806876	0.03987382651073013	0.07581764541155234	0.10526920737443944	0.04756783994300882	0.34948403803838823	0.09224159311944602	0.05425169349172207	0.13567386354644184
159.977	Carbamoyl phosphate [+F(-)]	cpd:C00169	0	0	0	0	0.2385771555861031	0.304030671455799	0.31100520464027936	1.150291348864762	1.0121068662795334	1.1306163987121147	0.4282695841917131	0.764749092262525	0.965997995704128	0.32961090987711633	0.19661344293549418	0.16625764692198136	0.045319339043043486	0.11174609615978034	0.10736411284559251	0.4526587999718639	0.12267418485655061	0.5503435529577227	0.4503901399275681	0.3813174451819428	0.17687314604025348	0.16936449059049297	0.16412164191779108	0.22288061518732105	0.38954623801541866	0.21800899263141463	0.07782747538776078	0.2951924799678784	0.3637199270115969	0.35102999890901043	0.5365266528530408	0.2965815284664447	0.6953210451637218	0.5733401019849818	0.2483985151703506	0.08497417171843266
164.072	L-Phenylalanine [-H(+)]	cpd:C00079	0.08823890692129924	0.010689525748178108	0.16782802404156114	0.25390203196427624	0.06710278047371177	0.051406416776933875	0.049734813830205116	0.0657547393676011	0.1331389794938611	0.16494140430215015	0.10393321548230812	0.04686311004791588	0.1106869557692986	0.059754159079686446	0.02459402292082701	0.026324117887478748	0.03392728048172838	0.06781534880996437	0.0068417972228009254	0.05333181307887206	0.016994250652421293	0.03896143601385452	0.04449558325550522	0.027549290961867416	0.039594706862063955	0.002071421591696629	0.0746528136439611	0.12028177274114063	0.08006692591881907	0.08595403090322447	0.04593131747331383	0.07070771836235587	0.15146416823905842	0.0332902005822835	0.09369807663566276	0.1181431674474377	0.1665485786273929	0.10818966544154349	0.08175829621221571	0.10293886942247578
165.067	L-Glutamine [+F(-)]	cpd:C00064	0	0	0	0	0.08276419581018908	0.15799241152329394	0.12814728985526305	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.22733877390139237	0.11331696365402755	0.11033779700318784	0.22283362585361746	0.1276902041865332	0.16581304725714682	0.22153446024878037	0.05449003309968472	0.1456838787301819	0.13093569154642112	0.7636424330663847	0.23995924743892694	0.10054348266347948	0.13122258826324662
165.104	L-Lysine [+F(-)]	cpd:C00047	0	0	0	0	0.1584140402016821	0.17202044595486973	0.24546392120796345	0.14148379842354775	0.25139297739961375	0.5552339984929169	0.26867114573690815	0.4629864967797579	0.40398224877195377	0.2161719802886319	0.1029393735499975	0.1815838464981796	0.04772162466771439	0.20508076682818935	0.4300752702906841	0.4882545266089603	0.049126200748170645	0.23658048965150624	0.14409062256275482	0.2432870492329836	0.226447879356266	0.07897314094005833	0.3585989540849929	0.38313024444730803	0.31980225861848616	0.27219500508173006	0.23801166480679747	0.2806573509728506	0.38458199129593545	0.2693163904199433	0.17070672393937522	0.12729468611279446	0.36357934842553885	0.21499337378552083	0.14801786344759055	0.10646037557705892
166.052	Pyridoxal [-H(+)]	cpd:C00250	0.19373183459683474	0.19036793483815695	0.060729158505103555	0.07205364646899941	0.07475388410312922	0.08994756072610512	0.18570424623196163	0.08893601124248438	0.12991350150332093	0.2217354267231311	0.12885340920069688	0.03825738812595297	0.24424722473116958	0.04552913164304228	0.33549427633950674	0.38053280830109093	0.17978135226756603	0.09757156022377009	0.15401200117434458	0.2658540167559798	0.051327566601752535	0.16417668367933952	0.13740537126154703	0.2362263432626392	0.07807856431991685	0.1194700131821575	0.35633741225424154	0.2078248366219449	0.38208403000918906	0.36923561846386754	0.20148276369399237	0.1538317593366317	0.7989558659628054	0.31818044500280324	0.4471844387124717	0.3197489182550788	0.32486848148304664	0.15557421527253507	0.0839021675092352	0.26251117583452455
168.054	L-Methionine [+F(-)]	cpd:C00073	0	0	0	0	0	0	0	0.14073001397504004	0.12115319734490326	0.25304117962569334	0.1665514661650715	0.20461429701998898	0.19430061362072418	0.09763912541491152	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
168.991	Glycerone phosphate [-H(+)]	cpd:C00111	0.34585649767281423	0.7122931260731681	0.8171807912719325	1.256944839039541	0.22783420322507422	0.40876865091946035	0.13343714379914012	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
169.05	D-Ribose [+F(-)]	cpd:C00121	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.22669629439886357	0.0686326848721299	0.00605082908233133	0.46510008620604765	0.3107607374317733	0.39586699840620554	0.4144242834483782	0.09321480651277643	0.49904948346106115	0.3446346635008047	0.4617218741895915	0.6346427461370571	0.055384273528055694	0.27737436331733584
170.045	Guanine [+F(-)]	cpd:C00242	0	0	0	0	0.29827473307090735	0.15808498625115108	0.22256151186245335	0.05163392259286801	0.19279024641723672	0.2198238173035303	0.08889932165136843	0.03319822252283136	0.11190430092694416	0.08144272765677216	0.17043428930048873	0.04641291528971969	0.049372346177408225	0.07033394152353342	0.09247646004271604	0.15247289975152511	0.06313246723601654	0.10570661961457146	0.30289957008523666	0.15013238819476196	0.0724205412033579	0.1048489993590877	0.13240538454057998	0.21179512500722028	0.044389845458861675	0.23736146673520975	0.044815510954986766	0.0702085299369008	0.24897830735282067	0.07045385873940477	0.20618090252738447	0.07133774081319592	0.2686373371377541	0.06897611229161604	0.16549131395581954	0.062238280628596133
171.007	sn-Glycerol 3-phosphate [-H(+)]	cpd:C00093	0.13111081880355357	0.10920209381278702	0.10907552731738755	0.41448599101496575	0.5386037342876802	0.6414173682488565	1.127971187370103	0.09682255152335296	0.10841755333080812	0.3497928320020292	0.37231480780845366	0.0499399272381901	0.180143544709559	0.28263739278723526	0.23994432037492597	0.08954514309520224	0.3239041611703806	0.09355504072675594	0.4335622708038434	0.3167074078997864	0.13247558758805578	0.1547957422802496	0.17180358799932022	0.07464847073407753	0.22475290184693397	0.08083066697964983	0.07030858919190158	0.08941324570468755	0.12786711302209955	0.06526831129552145	0.0844359421384718	0.11587432156708388	0.42833069052167594	0.0454648575630025	0.14578916304177014	0.39933367793108476	0.18262953032316392	0.09844066262394646	0.011628804238450823	0.1545386639919809
173.105	L-Arginine [-H(+)]	cpd:C00062	0.09799081324505264	0.16675610341859373	0.19128956532004487	0.7306555562360316	0.1708220681448235	0.26463641209868416	0.1527615984298134	0.0543908082704228	0.17420842527032573	0.09948906542600694	0.2068139954473302	0.06321963958344297	0.2706913707798244	0.14621892518944912	0.0559294433093933	0.04065275720407248	0.06456287573356931	0.0677693152040306	0.060683420071340165	0.07235040972646349	0.026275654653938437	0.12413070735247655	0.06291074493095432	0.033452714633301205	0.047840766989498504	0.029717343860790453	0.12073457991237672	0.2874325813290547	0.1571733246173206	0.1073056397534675	0.23555076457696145	0.2935790107167813	0.16865180183557135	0.12148198236768888	0.20163581971481911	0.19033320677072277	0.153831218883184	0.17789172077151236	0.46205460153038624	0.28078328104945055
174.067	L-Histidine [+F(-)]	cpd:C00135	0	0	0	0	0.1301481916481245	0.1434499724684282	0.17045309634651062	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.200069133008463	0.16441701728254093	0.04984825109501054	0.2038613327071898	0.11712974381132404	0.18544438154149678	0.21125235623249838	0.11700555184035637	0.16608645044495812	0.15954234618175042	0.3413844168935451	0.30574017909067264	0.07022025783650702	0.18448767035890104
174.089	L-Citrulline [-H(+)]	cpd:C00327	0.10939409072936958	0.3614699275963177	0.08996874027418578	0.6994766961233403	0	0	0	0	0	0	0	0	1.88411095042053E-15	0	0	0	0	0	0	0	0	0	0	0	0	0	0.2293880130461362	0.03354342432194641	0.038845188793822594	0.14792861447200903	0.250901110767274	0.24558371911046237	0.18811284856819077	0.1148318942950628	0.04151103363995862	0.013161943393888712	0.10223057990379585	0.18344183241542633	0.07228506462357595	0.08885485039137228
175.026	Ascorbate [-H(+)]	cpd:C00072	0	0	0	0	0.3516178375435127	0.13458051373236748	0.1431544360116458	0.06652165671566257	0.17047086253917107	0.3032975242363891	0.27139386094102935	0.131013099789997	0.24769662865664793	0.1260487784089906	0.07131536217078813	0.1407945604980541	0.21231417097851701	0.3558514922519149	0.24854307289324198	0.41236437082801847	0.16243952559441105	0.07104279142489954	0.18153820993448125	0.2223384526834455	0.11225944049136777	0.09057225969703066	0.3483482764086853	0.15609451010551212	0.15427114388594304	0.22156756486492218	0.4151004527491321	0.44735529664335705	0.4486608658876448	0.5093731674441485	1.038182947089843	0.3011820564165816	1.3541934687239223	0.9360201289844822	0.19513577582578653	0.19905587045863124
176.936	Diphosphate [-H(+)]	cpd:C00013	0.29632451529039233	0.39179396513863335	0.4028352986531409	0.7322294002898909	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
179.056	D-Glucose [-H(+)]	cpd:C00031	0.08327226301753349	0.15917508795563895	0.19633615143861863	0.5245370794063307	0.1022967258648439	0.13236912961327174	0.12465410101109349	0.13323658114757495	0.1938677392961357	0.154119599445766	0.1570856009018937	0.1341612889624867	0.30532699315509065	0.372737418226619	0.17991215134236666	0.029032401385783727	0.17763702710543197	0.05898885081161307	0.1702101360206934	0.10970166578382025	0.10016455556576688	0.180442495793233	0.04332367442280744	0.09535272830461432	0.039821288408100966	0.046353590865012784	0.19697149668364858	0.35250357742681904	0.1370249952648783	0.2843894874437139	0.12521632773763386	0.1900921470091982	0.5678873209390369	0.3891504176563905	0.8953245030951492	0.15275648304313458	0.15936877022763837	0.6891340924517997	0.11744739655931684	0.24820276442439193
180.067	L-Tyrosine [-H(+)]	cpd:C00082	0.08146951266286469	0.0901814123400597	0.17984354971029948	0.30324957552363796	0.12456701566151132	0.11436545094669964	0.053786142781078565	0.07641570556647899	0.29700132697881176	0.28685120022442007	0.28769228159863397	0.0961096199695317	0.12414746723214015	0.01832055258465913	0.051548951327437614	0.009957762644043817	0.040780914567206415	0.08072322273213318	0.13588024015771605	0.1429697114464189	0.07652155557631624	0.05664946356177392	0.028806213056632786	0.021407900644770703	0.06916591756379346	0.023185193562866427	0.03531443305316215	0.1900874311537829	0.10321438980940605	0.0830432792429622	0.11436931221335558	0.09467327227610005	0.11331392211949169	0.06097414169252316	0.006650562747590506	0.12048201361750793	0.3231692913466362	0.06685759600722267	0.08487222634824002	0.039903745412303945
181.07	Mannitol [-H(+)]	cpd:C00392	0.09063773648014055	0.1975295039663969	0.3019178312151215	0.20315641451819585	0.06922502675451257	0.11465296430489304	0.062565860101318	0.0259346421723809	0.2246139761667362	0.028579906405313084	0.08924503342803917	0.13747501141551788	0.0974805940381433	0.07389440963838628	0.028271437925866668	0.08707378042267991	0.029205703142541027	0.09942224954740705	0.18318834134115247	0.0196070684407216	0.034586493169207776	0.1843229723382103	0.059662057791751696	0.09440531144963218	0.06303430576229653	0.01849108973682938	0.05468536965573411	0.11615150738709605	0.06142660997202827	0.03738955934755134	0.0875262514328572	0.09474539194378175	0.058058466651703	0.06390495018182639	0.16938164090200622	0.025516070608796997	0.1104982324174417	0.1358486185837972	0.015100529300151131	0.03064764063287145
183.067	Choline phosphate [-H(+)]	cpd:C00588	0.03968058001504562	0.22649240155759445	0.14474129335578015	0.06207239186232468	0	0	0	0	0	0	0	0	9.42055475210265E-16	0	0	0	0	0	0	0	0	0	0	0	0	0	0.25532700732313857	0.09425219220002819	0.0479047450335222	0.4977759804237679	0.22764498966896343	0.34571479045014947	0.36517062242291265	0.08163097970163424	0.4413647338269395	0.18831963751698147	0.5348966671629736	0.5299901200089504	0.0896777018739216	0.2134636848242272
184.073	L-Phenylalanine [+F(-)]	cpd:C00079	0	0	0	0	0.15622722426270416	0.24085959290268388	0.27740336140698435	0.12139670033674756	0.44107115833615823	0.2514250322120188	0.3347372669765929	0.490825711219837	0.31745809885738424	0.19927524303133085	0.10590929972551831	0.08911273405610887	0.08498990388297081	0.1061459998639019	0.22383664779971585	0.2618744644300589	0.1339033880823752	0.008498230438616524	0.04247522625254008	0.029911511180156242	0.031441527466947984	0.11914091157435654	0.27524158750981037	0.2000026171188914	0.16585764359219504	0.12495045680028793	0.1937630701330854	0.08208861714904628	0.3526147172765832	0.18742863994814973	0.17661923319530745	0.07135774774099016	0.40666900812500173	0.21707107847251186	0.003621535964691086	0.16560715351919245
184.988	3-Phospho-D-glycerate [-H(+)]	cpd:C00197	0.6093929216808248	0.14222097277315154	0.49153237024762664	0.5472938113748709	0.3316327635717413	0.2242732513930829	0.21193263564784953	0.15199163563999524	0.4419870093962569	0.12437114729374835	0.15893119223911323	0.21965549112697835	0.30567358707531195	0.3614938874217033	0.1606255054165241	0.181269754717087	0.11266281703064362	0.21450017962857706	0.10261659865617259	0.04416764020515611	0.2723116403010503	0.5110852333535475	0.3460608692657531	0.29056733654786543	0.21907946885006868	0.22389029220050702	0.1567387271639637	0.07162203170124673	0.27310969328738505	0.384889667706411	0.14530229654129137	0.21696175605863458	0.2511281910972771	0.1912284854309976	0.5503811374523969	0.21670100128505684	0.21634219515494232	0.4501155257619363	0.15804632360127907	0.2413153149894749
186.058	Pyridoxal [+F(-)]	cpd:C00250	0	0	0	0	0.13755426376649996	0.11600428066474627	0.1769917269300658	0.16111910469257185	0.07135732229021913	0.16791708753096118	0.12569104430087116	0.14334214087917407	0.1244178905884711	0.08558027702476348	0.15518660999109465	0.06353797178433053	0.04914863746446516	0.07847176446791906	0.08863225969250306	0.17439322051252515	0.028626002877519815	0.0789879718601445	0.054504403721440775	0.1892190534617198	0.10671090590709421	0.09310688400884012	0.2062593274024058	0.1293677640912305	0.0872213205722532	0.24854010431506598	0.16541668750917696	0.15000565993281248	0.12763682850213154	0.09267258548323987	0.17748224898298517	0.11002396462799413	0.2733000237141413	0.16669753944396515	0.051446066346530823	0.076606759015889
193.108	L-Arginine [+F(-)]	cpd:C00062	0	0	0	0	0.1409923466246533	0.1092895798608398	0.18921151557803004	0.12401372566346876	0.09169061218672722	0.35347012124715466	0.09586991324009027	0.24573973079056619	0.15752625234017664	0.21849352842895772	0	0	0	0	0	0	0	0	0	0	0	0	0.20086478073917977	0.14103270874797555	0.6185046309235984	0.5173472503296016	0.17443463516921606	0.3789719738814765	0.38873286999783024	0.3558670769791121	0.7588284873533664	0.22821075984738337	1.6014278209258301	0.9110388919115678	0.08991927820929868	0.006490348225962635
194.094	L-Citrulline [+F(-)]	cpd:C00327	0	0	0	0	0.15279486974307468	0.20729324130154647	0.2360448778019031	0.07490482613268601	0.3293264669239556	0.31852563737075795	0.25927296955911255	0.47275311308116486	0.3360467072726328	0.23360196453034843	0.1296597402673869	0.07160032509167231	0.07794102653358743	0.17136593841792505	0.3277498212018942	0.2677810322508511	0.08924660968552196	0.3342559190420827	0.03923633200561247	0.18095241453154065	0.02689863593383703	0.10733497621349887	0.2905396332657639	0.21201736568703122	0.18366697746891275	0.17084055507211857	0.19832961083375594	0.1845026951505779	0.309200123941224	0.1300054632237448	0.10792375700366608	0.1311290629052462	0.42483132698513904	0.13444590071030368	0.04682774563414835	0.09726454549620564
195.029	Ascorbate [+F(-)]	cpd:C00072	0	0	0	0	0.13746331826386102	0.1199711003685957	0.1635789257795551	0.15222693266117487	0.2750524557820471	0.30372089530432234	0.0776930666208953	0.10777075131840215	0.2518904466443929	0.05356010260605693	0.18587275883585969	0.24282522489329683	0.22208833410596238	0.2514414608325682	0.27254439097286737	0.2181168740881081	0.0467990420144037	0.4853700614146485	0.2889743820634202	0.3435557069829282	0.18619219706107848	0.04381114828888692	0.18992713602492334	0.18297958727037422	0.17849713217694707	0.45599294290574877	0.07896742041628703	0.10016236569168395	0.5609245526113414	0.1967652336721295	0.7716506608219876	0.25990791033152155	0.6939955869835996	0.48924902441221557	0.10147037649818233	0.08155463071738568
199.002	D-Erythrose 4-phosphate [-H(+)]	cpd:C00279	0.23221885681289303	0.5928897809508835	0.3084400143049945	1.4992094466025683	0.20041348679851448	0.2097383206746142	0.10074938711741946	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
199.062	D-Glucose [+F(-)]	cpd:C00031	0	0	0	0	0.25566694663103784	0.08603783220744571	0.3152571282911139	0.5902184223427986	0.2676517499860331	0.3882265095461417	0.06897069320884076	0.2533679063871688	0.38282881676763075	0.18760332319588174	0	0	0	0	0	0	0	0	0	0	0	0	0.37446066477605955	0.40136783552391364	0.33461975220625045	0.8214727383423371	0.6318320277882683	0.7255808584202434	0.7587732573440251	0.2084320859762457	0.7082847647825207	0.4139841205874272	0.7916828198693645	1.0565915720153645	0.026443083532726747	0.6031916624185748
200.074	L-Tyrosine [+F(-)]	cpd:C00082	0	0	0	0	0.09737972567357658	0.16974974556272815	0.16000528998897925	0.03166839672429614	0.20317453032713878	0.09978936937034226	0.15589781589669757	0.1949883671626044	0.1770763749127798	0.10006828318063507	0.12450794988098443	0.07690404697797089	0.08202363851142883	0.15616037850959388	0.11481427410440055	0.16273000618155878	0.05937315962152116	0.03921364054900237	0.04898543209434682	0.06170313539894897	0.029073037205118363	0.0998717219451952	0.13372607234564202	0.2519945825744604	0.07118143516005909	0.19578222907430523	0.16964574940117627	0.1703351482539489	0.18576567804597025	0.06622941896990185	0.17760591349166635	0.09799589834386835	0.6439121033250457	0.23364571765479944	0.011329516025071314	0.09040527270873706
201.078	Mannitol [+F(-)]	cpd:C00392	0	0	0	0	0.13890449894375778	0.17367283560012137	0.24813341250639573	0	0	0	0	0	0	0	0.16032265281926597	0.07178258980164202	0.1708854326624069	0.1125881883355688	0.1927771386749333	0.22122014977038298	0.13634159425491285	0.2759703618047956	0.1701201672328011	0.271333975824128	0.20268085757563895	0.15137401427905425	0.2342713223211312	0.2667413761470686	0.12770629580853174	0.25678692144417437	0.10722296091649745	0.19694178891343134	0.2538517055996968	0.2524786654151186	0.23288157567344597	0.0261774838645996	0.7432417491508051	0.31646139768799014	0.17187994859152814	0.051365399050404936
203.068	Choline phosphate [+F(-)]	cpd:C00588	0	0	0	0	0.1469221027255387	0.09244035577742889	0.10553551109458391	0.2898435632831457	0.14706332209729547	0.18257575932712614	0.2045197939439827	0.2564493317020593	0.2790091663433389	0.2425768216736341	0	0	0	0	0	0	0	0	0	0	0	0	0.03872608703662808	0.18390640029430097	0.17488454335054446	0.11680725330645263	0.3652637393681028	0.30409981480956394	0.5680203852561614	0.19286412430062605	0.08220615642463808	0.015343196469636264	0.09216895667073897	0.24776717505367407	0.08291160877998294	0.31955159486233503
203.082	L-Tryptophan [-H(+)]	cpd:C00078	0.006997209718431667	0.14272258972438884	0.2868108631600784	0.33223659556141555	0.11079026370595878	0.12763851337253088	0.05592964071994435	0.1241649593328326	0.36265996005996515	0.2868063914467699	0.2719188235457652	0.10686643222664954	0.17888898281508878	0.07521719942050498	0.05162858151014959	0.060826679871311275	0.018717725331012323	0.1505448332419716	0.14624795139041807	0.04581776282918254	0.02128216607645541	0.04054453339950777	0.044750660361629696	0.07774489065289127	0.032167450193971894	0.021797127627190216	0.038266963785873825	0.20840281495572874	0.1188271342113198	0.0944565611155792	0.13546693766933982	0.0898124406562679	0.22193248492827974	0.057080187590754186	0.0816743307060866	0.12026470973120373	0.10051195662787885	0.07332490334029496	0.04819303665241004	0.017231598752994348
204.053	Lipoamide [-H(+)]	cpd:C00248	0.11427606476500311	0.17062231158408397	0.2661037013064324	0.32924822246309204	0.11861125610762815	0.12951014358215326	0.1656998653875026	0.01771252934359601	0.11970446922493433	0.0839338418041537	0.11284695217700481	0.050043618731898755	0.14999718711929935	0.04101516819114821	0.03644891948468676	0.16478968216044534	0.18957686495936033	0.21628850890133317	0.17316023446953788	0.38075558947112087	0.14587012123810036	0.11768428541862533	0.0359473869611671	0.064588256288592	0.04950424161926009	0.016719143108087208	0.215704446565149	0.24586035239521176	0.07914297427580604	0.16713802342332243	0.12950284694263478	0.11976576995922474	0.12387090292889609	0.18098725814988195	0.35530606901840667	0.22703889364172203	0.7991102475475012	0.32935880606409074	0.039842830550594364	0.09404106515046053
206.068	Dihydrolipoamide [-H(+)]	cpd:C00579	0.01780573601106771	0.2607714633055171	0.21477726329847271	0.6650371332333309	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.10298320027856984	0.28587342350214345	0.08697090168457884	0.044367388444555254	0.0569568878320971	0.06483740308401176	0.1822017633990796	0.12035947104986038	0.22616883121273093	0.03824250300875071	0.5402738858225786	0.14645038901507665	0.12102501774299945	0.051704859647427166
213.015	2-Deoxy-D-ribose 1-phosphate [-H(+)]	cpd:C00672	0.30411838016531656	0.06438223429368213	0.21831078678835356	0.19856554982566307	0.2294492810116136	0.09583533523830189	0.32504971797981885	0.17948590313967833	0.07054652065781117	0.08914473805896728	0.09505146566919027	0.2441332840513565	0.20149450216684173	0.09114762372547186	0.0457843979820471	0.08142087461856591	0.06997210601224735	0.03449252529601198	0.4347329616449149	0.23365950919727	0.09895276892573357	0.01999582153263189	0.2329730096126828	0.1086855612912077	0.11601471867693651	0.0658662119328514	0.14592797428401474	0.35179581601281446	0.1017513507434194	0.22795961529998232	0.03742644786778529	0.2926253905946686	0.36041008301052485	0.37911359052668997	0.4415913051628303	0.2144660097634427	0.1945680986822831	0.4421500802291476	0.27883026764236163	0.1399409048658951
223.086	L-Tryptophan [+F(-)]	cpd:C00078	0	0	0	0	0.13687301038376296	0.17976319498625687	0.13307107229282528	0.21726691927441663	0.397843970187727	0.220490987556576	0.1254648639625892	0.3331422910948351	0.2519089456815341	0.20433621133887542	0.12893802773711657	0.10385565385730215	0.1789514562673333	0.205903846014251	0.10081317235691298	0.3235439122443868	0.05847482575878066	0.08969122053044301	0.043642638226571134	0.1411744578779716	0.12409811945512675	0.08595880623032373	0	0	0	0	0	0	0	0	0	0	0	0	0	0
224.057	Lipoamide [+F(-)]	cpd:C00248	0	0	0	0	0	0	0	0.14229576485806603	0.18325392594871046	0.13938703628919674	0.13739671816530757	0.02766635874470319	0.16287262187166107	0.05620268156754053	0	0	0	0	0	0	0	0	0	0	0	0	0.41771798982845404	0.12352103729978163	0.17939891043237577	0.6463577386667456	0.12132296417681744	0.15549720502596107	1.2990266652052778	0.17494445441243417	0.5556632765509699	0.3713911276853157	0.42412750433167146	0.3753661161979296	0.1422335370942422	0.13882750711180514
226.071	Dihydrolipoamide [+F(-)]	cpd:C00579	0	0	0	0	0.1300828528781691	0.12886695933567485	0.05232882246100821	0.14137702008658845	0.12788047387671783	0.1328978824605013	0.19519701372399487	0.13988017740689512	0.17643814949709602	0.08199054613842975	0.16218600839808192	0.19163079982880937	0.08483551773031667	0.470862351798681	0.08877057013781332	0.6281774235487123	0.1824119640583106	0.31325162242320537	0.06491184833600418	0.18600946568232257	0.11034534398270408	0.15441878356484628	0.21821866568481935	0.09488546198762098	0.05856280984928515	0.3715679761496853	0.1383178381135151	0.16209329989762708	0.4164391132006671	0.16166702787082948	0.32789692000934967	0.2028633932619143	0.44408359473724923	0.25492496446413204	0.006919933186210408	0.12222870379922653
226.084	Deoxycytidine [-H(+)]	cpd:C00881	0	0	0	0	0	0	0	0.008968682243898195	0.22535771355341758	0.11322583077987239	0.21774121550106962	0.2517167496266393	0.13229201804254298	0.09310273021560192	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
227.067	Deoxyuridine [-H(+)]	cpd:C00526	0.11906804925070696	0.11128074403573984	0.14643501242806536	0.20113606329412836	0	0	0	0.0783927900896114	0.05051951795110097	0.18783238355609172	0.11648532659669554	0.10940606157692045	0.16490229076031554	0.06217400758429255	0.09063709930773997	0.0676581289708294	0.12670996706530835	0.3026279188010971	0.10014931011675152	0.5000365096554683	0.042898081591063536	0.2005693119282068	0.07383831030325047	0.06371445406833437	0.07810133689336889	0.04695199508131881	0	0	0	0	0	0	0	0	0	0	0	0	0	0
229.012	D-Ribose 5-phosphate [-H(+)]	cpd:C00117	0.137159225658684	0.09609322162350997	0.32352063703241135	0.07623617617671194	0.19059485197274373	0.24865096617391247	0.4822507925349945	0.0605815290686792	0.3189387189264058	0.16161716122637265	0.5231826359609208	0.08096390652865912	0.16774916951932287	0.08126953934144024	0.07951736227553116	0.08381998348884609	0.09651364144526912	0.22122698146650976	0.3096985716398093	0.30651492060809843	0.21613637912675235	0.5469772056457813	0.07286615548752765	0.12801403234417746	0.2702942000759907	0.1378113068358511	0.018611456337206057	0.10630321402110937	0.028189370154494353	0.23428556504237436	0.1363762741061196	0.03648879795108162	0.16293870779148648	0.047002860872552704	0.2716272894209152	0.10971098291802246	0.07978693907377496	0.16940796965274255	9.144002249450165E-4	0.22271168887646997
241.086	Thymidine [-H(+)]	cpd:C00214	0	0	0	0	0	0	0	0.08585673897374009	0.22308150218413916	0.18234293839164095	0.3047876511242819	0.08567730373286633	0.18887855707146306	0.21545062080198868	0.2063826546104396	0.017303174192873996	0.11082300493318324	0.17331302052563943	0.3857194943478503	0.07036099462321527	0.1089141919322879	0.10438175823891525	0.191705880199833	0.045518652132616876	0.21521051158847668	0.11078436310840001	0	0	0	0	0	0	0	0	0	0	0	0	0	0
242.079	Cytidine [-H(+)]	cpd:C00475	0.14849232330377618	0.09054803555036857	0.12444650216199996	0.030956744367795535	0.07687786742080013	0.0993996008755778	0.08391015579022805	0.015986016609875447	0.25553448742561263	0.1866169215129853	0.20898996539622752	0.07558453163663341	0.14891698589871474	0.1782218053256937	0.13228597916305976	0.040740389655243424	0.3693032405451156	0.13285524485533473	0.13948962510118537	0.03893229662581564	0.02921717407026278	0.29890817573231726	0.13556245134929054	0.15413653319130696	0.032876585791329335	0.22498195835875434	0.20213527684297475	0.09317342371996297	0.1433256749503694	0.10037338086046182	0.06787560479646822	0.03220243261127609	0.14910553851133593	0.1764171317732135	0.11343405864824158	0.01844521075354185	0.17965009396717888	0.07733935132912004	0.04854114276791668	0.05642159662699268
243.063	Uridine [-H(+)]	cpd:C00299	0.13610818257345544	0.11998400429017125	0.16650078740487625	0.18416143888231334	0.11637638139294658	0.13572067043140645	0.12982820765107106	0.022097804596050635	0.2386933312913823	0.2079809837366223	0.1224030434422584	0.035108262620899305	0.14110078396684625	0.16962025226320893	0.1329843852798818	0.05268276699604497	0.11980733353940817	0.061385955489349504	0.20331703447106184	0.02718187735528169	0.01809635685981003	0.0714312450994672	0.07453991771277296	0.022891952814330707	0.045710177368904065	0.07921091148296704	0.06988489829289878	0.1309642931915483	0.05578474419850913	0.052346206750683716	0.06370701322613381	0.05696572832575791	0.2623781512402358	0.08328563563771849	0.11446591979943765	0.1018520610869813	0.15273369208190934	0.01157069417138998	0.001681466768969233	0.22367425867967156
246.015	Pyridoxal phosphate [-H(+)]	cpd:C00018	0.07162903672227153	0.15949172608842443	0.025785494978332532	0.3343297667873344	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.3432777222397579	0.3385879811288966	0.2904421905087343	0.24825159066150487	0.23953606870869698	0.13436829420202948	0.5361801069876614	0.2875845380688039	0.5442989761147026	0.2325361250487168	0.24760317688456135	0.07748254975994288	0.0648578209247971	0.26184351262884203
246.088	Deoxycytidine [+F(-)]	cpd:C00881	0	0	0	0	0.10872299365755271	0.1931596930854237	0.15013769146206576	0.14710514859134843	0.11825819934973057	0.156028194740574	0.12238893642772859	0.15878362370940574	0.21038612872533322	0.08336282871207372	0	0	0	0	0	0	0	0	0	0	0	0	0.2290443451759961	0.20370780761443416	0.09692556400824606	0.20015373647763915	0.08466975773657179	0.029426977219225926	0.21390210036270524	0.07963024196010124	0.10830714900714918	0.02766327053467603	0.36942211232215594	0.18635517441955557	0.038857094248115565	0.06799902257605593
250.094	Deoxyadenosine [-H(+)]	cpd:C00559	0	0	0	0	0.38901367212893856	0.23861229312968202	0.4883574846294442	0.21149538010268784	1.1065572218696873	0.3382203224190246	0.5172990591261986	0.9341004555077428	0.8104903250115131	0.9035596305656769	0.12028049190523424	0.031310256417171126	0.015166864141994888	0.2794522624003645	0.21066311418533232	0.18146174711264748	0.09098258361316083	0.06753018912417366	0.2541749990825452	0.018346361784847637	0.0805957166314717	0.2912840056060044	0.7025179531830679	1.4051068622722263	0.816608035123067	0.5184820865712856	0.6827594001805706	0.07943669508656583	1.8393149913373987	0.5985434841397197	0.9948539782778324	0.7560323280473884	0.16967913506534887	0.21024234747615847	0.2731024560174839	0.6418530192939665
257.104	sn-Glycero-3-phosphocholine [-H(+)]	cpd:C00670	0.06965545247299855	0.1012335482247109	0.13993561738269095	0.45283961842534476	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
259.024	D-Fructose 6-phosphate [-H(+)]	cpd:C00085	0.262667113789628	0.13807538397445226	0.2279366405614094	0.10738912149028662	0.7686087295711653	0.7462598247962056	0.24836997374053463	0.2877892872730671	0.0497753237514912	0.3094856403454753	0.2039343983894401	0.1752796018629746	0.3469460561415271	0.20654783317805747	0.06655667638953276	0.1268177151452886	0.12694637178369192	0.12263578244490958	0.3192784552110236	0.09416603518988238	0.12192507601333659	0.2280452934295017	0.14695601292818256	0.2621351744416431	0.040510577111196946	0.05928754184958003	0.06382160747110137	0.0888786698578566	0.1368622786560982	0.20236285478374783	0.17062099523899613	0.14952371191355815	0.24300487996443282	0.23611333191355338	0.6823065856676375	0.15037678431770776	0.12271495413963351	0.4398684096111525	0.06690187287014192	0.2485045821508931

# Fold change values including P-value, not corrected for batch effect which makes the data unsuitable for modelling purposes since the batch effect is relatively large compared to the biological changes in metabolite concentrations
Unique ID															24h_timecourse_4	24h_timecourse_4	48h_timecourse_4	48h_timecourse_4	TF173_MPN303_5	TF173_MPN303_5	TF178_MPN250_5	TF178_MPN250_5	TF187_MPN674_5	TF187_MPN674_5	Tn051_MPN051_5	Tn051_MPN051_5	Tn674_N/A_5	Tn674_N/A_5	WT_WT_5	WT_WT_5	WT_WT_5	WT_WT_5	WT_WT_5	WT_WT_5	dldh,NoxE_N/A_5	dldh,NoxE_N/A_5	AA_perturbation_6	AA_perturbation_6	Fe_perturbation_6	Fe_perturbation_6	Glu_perturbation_6	Glu_perturbation_6	Gly_perturbation_6	Gly_perturbation_6	KO51_mutant_6	KO51_mutant_6	KO51_mutant_6	Ox_perturbation_6	Ox_perturbation_6	TF173_mutant_6	TF173_mutant_6	TF183_mutant_6	TF183_mutant_6	TF414_mutant_6	TF414_mutant_6	TF462_mutant_6	TF462_mutant_6	TF463_mutant_6	TF463_mutant_6	Tn674_mutant_6	Tn674_mutant_6	blank_control_7	blank_control_7	WT_perturbation_7	WT_perturbation_7	WT_noGluc_perturbation_7	WT_noGluc_perturbation_7	TF173_mutant_7	TF173_mutant_7	TF178_mutant_7	TF178_mutant_7	TF184_mutant_7	TF184_mutant_7	TF187_mutant_7	TF187_mutant_7	TF413_mutant_7	TF413_mutant_7	TF462_mutant_7	TF462_mutant_7	TF463_mutant_7	TF463_mutant_7	Tn051_Gly_perturbation_7	Tn051_Gly_perturbation_7	Tn674_mutant_7	Tn674_mutant_7	WT_noGluc_perturbation_7	WT_noGluc_perturbation_7	water_Control_7	water_Control_7
Use in Model															1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Number															30	30	31	31	35	35	37	37	41	41	49	49	52	52	54	54	55	55	56	56	57	57	58	58	60	60	62	62	63	63	64	64	65	66	66	72	72	74	74	80	80	81	81	82	82	90	90	97	97	98	98	99	99	104	104	106	106	107	107	108	108	111	111	113	113	114	114	120	120	124	124	126	126	127	127
Protein KO (KO),overexpressed (TF), or perturbation															24h	24h	48h	48h	TF173	TF173	TF178	TF178	TF187	TF187	Tn051	Tn051	Tn674	Tn674	WT	WT	WT	WT	WT	WT	dldh,NoxE	dldh,NoxE	AA	AA	Fe	Fe	Glu	Glu	Gly	Gly	KO51	KO51	KO51	Ox	Ox	TF173	TF173	TF183	TF183	TF414	TF414	TF462	TF462	TF463	TF463	Tn674	Tn674	blank	blank	WT	WT	WT_noGluc	WT_noGluc	TF173	TF173	TF178	TF178	TF184	TF184	TF187	TF187	TF413	TF413	TF462	TF462	TF463	TF463	Tn051	Tn051	Tn674	Tn674	WT_noGluc	WT_noGluc	water	water
Name of experiment to find the conditions
BATCH															4	4	4	4	5	5	5	5	5	5	5	5	5	5	5	5	5	5	5	5	5	5	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	6	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7	7
GLUCOSE in THE WASH															1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	127
Measurement type															timecourse	timecourse	timecourse	timecourse	MPN303	MPN303	MPN250	MPN250	MPN674	MPN674	MPN051	MPN051	N/A	N/A	WT	WT	WT	WT	WT	WT	N/A	N/A	perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	mutant	mutant	mutant	perturbation	perturbation	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	control	control	perturbation	perturbation	perturbation	perturbation	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	perturbation	perturbation	mutant	mutant	perturbation	perturbation	Control	Control
REFERENCE															6h	6h	6h	6h	MEDIAN block 5		REF2 block 5		MEDIAN block 5		MEDIAN block 5		REF2 block 5		MEDIAN block 5		MEDIAN block 5		MEDIAN block 5		TnGnt,TnPuro		WT	WT	WT	WT	WT	WT	WT	WT	REF Carolina block 6		Gent-Cm	WT	WT	REF2 block 6		REF2 block 6		REF2 block 6		REF2 block 6		REF2 block 6		REF Tns block 6		REF block 7		WT		WT_noGluc		REF block 7		REF block 7		REF block 7		REF block 7		REF block 7		REF block 7		REF block 7		Tn051		REF block 7		WT	WT
MPN																			MPN303	MPN303	MPN250		MPN674		MPN051-KO		MPN674-KO								MPN674-KO, NoxE OE										KOMPN51-gpsA	KOMPN51-gpsA	KOMPN51-gpsA			MPN303		MPN606		MPN430		MPN025		MPN302		MPN674-KO								MPN303		MPN250		MPN627		MPN674		MPN051		MPN025		MPN302		MPN05-KO1		MPN674-KO
Pathway																			Glycolysis		Glycolysis		Pyruvate metabolism		Glycerophospholipid metabolism		Glycolysis																							Glycolysis		Glycolysis		NA		Glycolysis		Glycolysis		Glycolysis								Glycolysis		Glycolysis		Phosphotransferase system (PTS)		Glycolysis		Glycerophospholipid metabolism		Glycolysis		Glycolysis		Glycerophospholipid metabolism		Glycolysis
Gene name																			pyk		pgi		ldh		glpD		ldh																							pyk		eno		gap		tsr		pfkA		ldh								pyk		pgi		ptsI		ldh		glpD		tsr		pfkA		glpD		ldh
mRNA fold																			1.291214505		1.4085032795		1.26939831		NA		NA								NA										NA					1.291214505		0.549999999999999		0.27		0.48		3.4236509485		NA								1.291214505		1.4085032795		1.7384333675		1.26939831		4.03464644		0.48		3.4236509485		NA		NA
Protein fold																			ND		0.805		0.4		NA		NA								NA										NA					ND		0.41499999999999904		ND		ND		ND		NA								ND		0.805		1.425		0.4		ND		ND		ND		NA		NA
Protein (estimation)																			1.2639698789445																															1.2639698789445				0.264303		0.46987199999999996		3.35141191348665										1.2639698789445								3.949515400116		0.46987199999999996		3.35141191348665
m/z	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value
59.015	Acetate [-H(+)]	cpd:C00033													-0.08772803	0.14255712	-0.59897756	0.00222918	0.43382152	0.14406934	0.56329858	0.66661983	0.237486	0.25423779	0.23581002	0.41640352	0.73675355	0.29683334	0.74543391	0.02234644	0.21225551	0.3224821	0.72676469	0.07112492	0.06068363	0.00223	-0.41962544	0.04527333	-0.43558198	0.03025433	-0.88249942	0.0012937	-0.13708371	0.20117158	-0.34694046	0.12292091	0.49662622	-0.16196736	0.52948101		0.6207101	0.0758533	0.62348882	-0.2554397	0.61972678	-0.15142072	0.44889669	-0.23555429	0.0366982	-0.47618216	0.00178908	0.25596178	0.27380751	-1.61303227	0.0036186	-0.52325429	0.2687978	-0.10159866	0.35985527	-0.02119126	0.92431988	0.07390864	0.0741626	0.32968947	0.01842743	-0.38100331	0.73947692	-0.09967462	0.78853958		0.81784305	-0.31269645	0.26927839	0.01499603	0.19027661	-1.17699878	1.2965E-4	-0.25240545	0.04456477

492.163	10-Formyltetrahydrofolate [+F(-)]	cpd:C00234	Folinic acid [+F(-)]	cpd:C03479																																																										0.00606641	0.64980665	-0.3360511	0.07206483	-0.05326385	0.67864932	-0.41088063	0.02515179	0.09998887	0.89832401	0.41702269	0.33821557	0.29006328	0.04314	-0.45103253	0.45835574	0.34798334	0.12866657	-0.06363267	0.3169569	-0.5939961	0.02151461	-0.2673682	0.42024581	-0.48258299	0.00554315	-1.15417127	1.0903E-4
472.154	10-Formyltetrahydrofolate [-H(+)]	cpd:C00234	Folinic acid [-H(+)]	cpd:C03479

213.015	2-Deoxy-D-ribose 1-phosphate [-H(+)]	cpd:C00672	2-Deoxy-D-ribose 5-phosphate [-H(+)]	cpd:C00673											-0.00804265	0.08919446	0.35547098	0.00463453	0.08157182	0.66502946	-0.02913349	0.70660138	0.10296159	0.2206738	0.53702621	7.0092E-4	-0.03619493	0.84959752	0.28332568	0.11553859	-0.19826883	0.3065357	-0.09390077	0.11585315	-0.36257936	0.00463454	-0.27897715	0.00400562	-0.06271131	0.61071735	0.29275908	0.00824002	-0.02745213	0.67059562	0.06494338	0.31497542	0.45626211	-0.01080623	0.69869915	0.08348127	0.18999865	-0.05543381	0.06554487	-0.1524141	0.22664421	0.1778617	0.17653083	0.08427839	0.62568268	-0.03745273	0.90815414	-0.46051444	0.00799821	-0.31167242	0.1532412	-0.23629996	0.38662203	-0.09324667	0.2102995	-0.03721707	0.4075019	-0.02048918	0.59693225	-0.10866144	0.81084955	-0.11274815	0.69340057	0.1401994	0.90764148	0.09060774	0.60435784	-0.18345258	0.24496108	-0.11349378	0.95170519	-0.25718067	0.16502347	0.16889153	0.02890723

273.005	3-Dehydro-L-gulonate 6-phosphate [-H(+)]	cpd:C14899																	-0.03466077	0.88782828	0.08819286	0.96189856	0.51766997	0.3054867	0.00736263	0.47252253	0.17668089	0.44049266	0.18671896	0.05507073	-0.12427107	0.71938596	0.05024686	0.13483175	-0.04959586																											-0.3144427	0.38453632	-0.09426554	0.1964941	0.04978696	0.73507904	-0.3261869	0.00609695	-0.13294872	0.5593425	0.11300727	0.14565454	0.0483941	0.24499854	-0.10751494	0.19942551	0.10387924	0.81069493	0.05583841	0.71258937	-0.3779526	0.05305537	0.08170352	0.2992982	-0.29196078	2.9792E-4	0.44073412	0.00462408

184.988	3-Phospho-D-glycerate [-H(+)]	cpd:C00197	2-Phospho-D-glycerate [-H(+)]	cpd:C00631											0.63978493	0.00506133	0.42738388	0.01006609	-0.17729141	0.34700958	0.52636616	0.3935115	0.09163495	0.13525588	-0.43297872	0.02021687	0.24291502	0.53279774	0.33847229	0.01679377	-0.26132595	0.16438401	4.5519E-4	0.90711404	-1.11188942	0.0101	0.82031881	9.7198E-4	0.02985791	0.88802745	0.06101937	0.35725835	-0.73042964	0.00957048	-0.42098089	0.00342226	0.0031279	-0.64063839	7.5715E-4	-0.0470525	0.92898944	0.49513185	0.12974594	-0.09024961	0.87286771	-0.27498081	0.32069461	-0.24551619	0.1929436	-0.2313274	0.31828648	-0.14928934	0.4578368	-0.6451985	0.04718425	0.11814957	0.46494802	-0.20281063	0.2552943	0.07387765	0.74805823	0.18742752	0.10830089	0.20456731	0.0794484	-0.1661778	0.83255983	0.02306016	0.91583034	0.09878254	0.50761689	0.13395089	0.65326655	-0.22610374	0.17797278	-0.7569237	0.0022414	0.77177644	0.00261731

284.96	3-Phospho-D-glyceroyl phosphate [+F(-)]	cpd:C00236																	-0.04340336	0.92951543	0.17274754	0.8949165	0.147635	0.14848519	-0.00656714	0.54540066	0.19843957	0.33596728	0.10279704	0.31189538	0.03070275	0.64852367	-0.0744362	0.87215071	-0.00637583
264.95	3-Phospho-D-glyceroyl phosphate [-H(+)]	cpd:C00236													-0.13107291	0.73344214	-0.39754499	0.03794414																		0.03794414

475.163	5,10-Methenyltetrahydrofolate [+F(-)]	cpd:C00445													0.64694895	0.93107265	-0.22800248	0.0595324																		0.0595324

455.159	5,10-Methenyltetrahydrofolate [-H(+)]	cpd:C00445
476.167	5,10-Methylenetetrahydrofolate [+F(-)]	cpd:C00143													0.5281868	0.94220619	-0.31652084	0.04768196	-0.09661243	0.0688839	-0.0776767	0.75543416	0.02845556	0.73497829	-0.10586689	0.00842343	0.0705616	0.55151101	-0.33683897	0.73459559	-0.13238817	0.94496155	0.10447375	0.0059204	0.0907466	0.04768196	0.15960229	0.21269975	0.45349875	0.10445141	-0.41734517	0.19625386	-0.19783261	0.75008027	-0.09970858	0.60490974	0.82908489	-1.73839784	0.00102729	0.12301442	8.441E-5	-0.09639581	0.00262468	-0.14744116	0.14887497	-0.06565114	0.01428798	0.10417396	0.23639307	-0.06065111	0.95074306

408.947	5-Phospho-alpha-D-ribose 1-diphosphate [+F(-)]	cpd:C00119													0.36740572	0.05030136	0.6140934	0.0229023																		0.0229023																										0.18337247	0.0133722	-0.56333255	0.05146246	-0.12959168	0.71135361	-0.09474935	0.16377637	-0.01922826	0.53750234	0.37997671	0.01112377	0.34798502	0.00360444	0.12066545	0.84378387	-0.08431992	0.32699956	-0.04714348	0.73337339	0.10901644	0.19642135	0.28564545	0.01492919	-0.5007061	0.00278085	0.97650393	0.03187723
388.945	5-Phospho-alpha-D-ribose 1-diphosphate [-H(+)]	cpd:C00119													0.32934635	0.0974587	0.18309197	0.36988021	-0.00400336	0.80814611	0.50852134	0.79949609	-0.03671582	0.92980607	0.20932988	0.11064333	-0.14751102	0.67225373	0.66813596	0.00448554	-0.08505006	0.57968562	0.25832578	0.09409965	-0.69828545	0.37																										-0.98846619	6.8845E-4	-0.12363035	0.17651217	-0.30213028	0.37785318		0.67166149	-0.12291789	0.13964457	-0.31240642	0.32594736	-0.1212298	0.81149504	0.45017732	0.00477433	-0.25047171	0.49004039	-0.36295082	0.58668713	-0.51701913	0.13723054	-0.62698825	0.26933632	-0.19450717	0.67280926	-0.05935607	0.82984177

138.98	Acetyl phosphate [-H(+)]	cpd:C00227

808.118	Acetyl-CoA [-H(+)]	cpd:C00024																	0.27335447	0.23338127	1.43267267	0.61528112	-0.15491949	0.67487258	0.32095366	0.20123325	-0.18857621	0.75920526	1.0875976	0.02550934	0.35179869	0.84734962	-0.17318313	0.88138935	-1.99806951																											-0.6507156	0.00148913	0.28610672	0.24559229	0.40090393	0.1790812	-0.08337486	0.48544258	-0.21780381	0.00223582	-0.23104131	0.00187403	0.06745301	0.91285423	0.28093675	0.00832421	-0.1599907	0.39246123	0.25427828	0.30728671	-0.02087993	0.63608504	-0.33064321	0.512	-0.24708668	0.35191118	-0.62484644	0.15326353

154.052	Adenine [+F(-)]	cpd:C00147																	-0.08309609	0.27595956	0.07357329	0.32805863	0.07809487	0.59458684	0.12102381	0.91694771	0.02529606	0.75095258	0.40051117	0.00505066	0.09313152	0.16219866	0.083942	0.22546906	-0.01611884																											-0.00213821	0.89454329	-1.75034706	9.421E-5	-0.8373422	0.00631112	-0.45375639	0.0377346	0.17893109	0.89546774	0.32191466	0.37749663	0.487122	0.01743346	-0.84038406	0.40051752	0.27569148	0.2254846	-0.36917748	0.16302271	-0.39790077	0.21431625	-0.49353754	0.2210397	-1.06165789	0.00165389	-0.01128125	0.50086573
134.047	Adenine [-H(+)]	cpd:C00147													0.09667844	0.00581869	0.2428404	0.00540025	0.0149503	0.3616046	-0.03472282	0.25535078	0.06357375	0.95490146	-0.17037584	0.07636334	-0.10765381	0.65665933	0.2348374	0.00142387	-0.03013049	0.56816539	-0.08353705	0.38599308	-0.11476699	0.0054	1.66773607	2.426E-5	1.72436463	3.096E-5	1.82315788	1.197E-5	1.35528547	5.389E-5	-0.17735819	0.11251197	0.11631406	1.518879	9.5113E-4	0.04854646	0.93610649	0.05484839	0.59991651	-0.02397598	0.11034463		0.51451585	-0.00860511	0.42410677	0.06079844	0.01743868	-0.2953345	5.3097E-4	0.45274449	0.06615558	0.31541412	0.14404966	0.07102588	0.37531843	-0.02229037	0.76791611	-0.1049447	0.12250322	-0.11034291	0.02204299	0.18070756	0.37219594	-0.06762864	0.0340999	0.03466536	0.12980697	-0.05652671	0.07464525	-0.23730124	0.11775909	0.11751626	0.00660919	0.05502249	0.0459464

286.094	Adenosine [+F(-)]	cpd:C00212	Deoxyguanosine [+F(-)]	cpd:C00330											-0.18736032	0.25919214	-0.34454489	0.02871835	-0.2645779	4.1247E-4	-0.22534373	0.64992314	-0.0280117	0.23751956	-0.22398276	0.40593273	-0.12227757	0.61124121	0.0443629	0.18672008	-0.08447823	0.27378809	0.06137745	0.04798792	0.12199418	0.02871835	1.42355998	3.9280000000000003E-5	1.67578451	1.235E-5	0.09150274	0.28453351	1.38462278	5.336E-5	-0.34946676	0.1068149	0.1210199	-0.03239793	0.60793188	-0.09372308	0.5329429	-0.12963621	0.0132248	-0.03011196	0.74197451	-0.09687279	0.32971881	0.15595962	0.40025187	-0.19943457	0.04924878	0.06374047	0.10331741	0.11851921	0.66961153	0.23216228	0.01881685	0.04066107	0.25353057	-0.07299128	0.89352353	-0.10463895	0.56170146	0.08035644	0.17759329	0.27910709	0.42310798	-0.06760414	0.56659386	-0.14516552	0.85388157	-0.84078719	0.01297776	0.01046662	0.49070807	-0.25207265	0.00386391	-0.41327204	0.01644708
266.089	Adenosine [-H(+)]	cpd:C00212	Deoxyguanosine [-H(+)]	cpd:C00330											-0.10555758	0.8993476	-0.04391966	0.7710409	0.10973038	0.58692456	0.02867212	0.32527959	0.12941489	0.58338462	-0.21608464	0.50327771	0.01224731	0.54366596	0.57273006	0.04042022	0.20123096	0.06751578	0.07905441	0.26912415	-0.0793016	0.7710409

426.022	ADP [-H(+)]	cpd:C00008	Adenosine 3',5'-bisphosphate [-H(+)]	cpd:C00054	dGDP [-H(+)]	cpd:C00361									0.73500032	0.03967612	1.53352849	1.668E-5	0.59161683	0.04089052	0.74549008	0.61931927	0.03544897	0.54503543	-0.19213511	0.26387765	-0.22334311	0.67239652	1.26195481	0.0017177	0.33591765	0.242226	0.66703472	0.23272099	-0.80140814	1.67E-5	-1.04193608	0.01212985	-1.41690471	0.00406351	0.47229813	0.0375977	-1.08406797	0.00142294	-0.62994806	0.07090882	0.32886408	-3.87332324	6.6E-7	-2.6869E-4	0.84532467	0.31334679	0.19894846	0.17508303	0.95957482	-0.6650666	0.05709002	-0.13508699	0.48430644	0.58351	0.02133439	-2.92975159	9.001E-5	0.58347242	0.24371366	0.18427379	0.53050949	-0.00757718	0.6747912	-0.13978519	0.64896101	-0.22192101	0.35372517	0.13814346	0.70809947	0.40617042	0.10325648	-0.07035959	0.61821472	0.27579455	0.90104756	0.05283979	0.86266098	-0.5489862	0.00800737	0.14730053	0.8391364	-0.92082878	0.00217541

346.057	AMP [-H(+)]	cpd:C00020	dGMP [-H(+)]	cpd:C00362											0.59207604	0.00754076	0.92878194	0.00142195	-0.27287282	0.32693254	-0.10126005	0.51054701	-0.45007015	0.05016972	0.09987918	0.83569385	-0.40177767	0.08034626	0.1836974	0.08856493	0.30421681	0.26666625	-0.07081952	0.39563566	-0.63553155	0.00142	0.1816274	0.12326658	-0.20038454	0.47961243	1.04647224	0.00256415	-0.36311016	0.12565681	-0.13814942	0.46495441	0.54876813	-0.52098364	0.01987486	0.43031599	0.02476283	0.26926079	0.43705604	0.22769333	0.34078095	-0.08876503	0.23841732	0.02112347	0.32733915	0.28014732	0.00222385	-0.76298764	3.6445E-4	0.34546778	0.21842627	0.34143838	0.12967449	-0.0347106	0.40097835	-0.11294863	0.85790112	-0.0774091	0.98441544	0.27201873	0.02787769	0.12737372	0.28651064	0.08915777	0.69092625	-0.05432412	0.73757988	0.39959531	0.43056341	-0.19521304	0.0645238	-0.00258727	0.80494761	-0.80563476	0.00520596

195.029	Ascorbate [+F(-)]	cpd:C00072													0.04119495	0.52706051	0.00363916	0.74343519	-0.08689922	0.29855523	0.23373209	0.84070907	0.04056246	0.81629084	0.09405984	0.44648249	0.19372711	0.39702472	0.2871634	0.18336344	-0.23229017	0.51825276	-0.01438695	0.97288528	-0.0465787	0.74343519	-0.11955714	0.19244917	-0.36704854	0.07973185	-0.85698213	0.00573545	-0.53176608	0.02000708	-0.28857465	0.10907767	0.19196284	-0.1863804	0.20981138	3.2401E-4	0.81360234	0.03684804	0.85579378	-0.24431246	0.52085897	-0.02515768	0.66558566	-0.1126364	0.31768897	-0.27812141	0.00206128	-0.0468863	0.21299115	-1.07336425	0.28634183	-0.15597895	0.6423311	-0.25578248	0.05817991	0.07208429	0.52240542	0.24143135	0.01265039	0.32075409	0.00306117	0.06933806	0.76409927	0.12317386	0.83182097	-0.10083509	0.76765932	-0.38892625	0.05950895	-0.05189763	0.47104286	-0.98576571	2.2716E-4	0.56203178	3.373E-4
175.026	Ascorbate [-H(+)]	cpd:C00072													0.1105814	0.61702365	-0.1669945	0.10929703	-0.04820669	0.25129323	0.00426952	0.35096973	0.12022397	0.54119315	0.35442923	0.09833873	0.20013003	0.03439038	0.04550844	0.66927134	-0.02614965	0.5430798	0.01137089	0.59511646	0.31411837	0.10929703	-0.61490106	1.243E-4	-0.1784748	0.04540605	-1.05589003	4.4158E-4	-0.77720132	0.03153715	-0.09335846	0.31586495	0.32822921	1.0926353	0.01497485	0.25392027	0.07674925	0.10198084	0.12580753	-0.19265658	0.09299808	-0.01829859	0.79282991	-0.00427201	0.64359093	-0.2289369	0.01591348	-0.54234063	0.1108797	-0.1239259	0.28349151	-0.05090333	0.5692505	-0.52122018	0.00215432	-0.18789273	0.2715647	0.16767472	0.24291889	0.0094516	0.41753472	0.16655471	0.49544738	-0.03273644	0.56510643	0.42857973	0.39189773	-1.43791207	0.00647959	0.0996626	0.38280539	-0.34102059	0.03973874	0.42194473	0.00593794

525.996	ATP [+F(-)]	cpd:C00002	dGTP [+F(-)]	cpd:C00286																																																										-0.20204059	0.03245911	0.09350403	0.71753687	0.29452533	0.00519194	-0.14111059	0.05252539	-0.14535112	0.20943171	0.0613915	0.46681848	-0.00709231	0.66563256	0.24755139	0.22971113	0.10839199	0.59870953	0.12276907	0.17101934	-0.39780557	0.00300532	0.02963408	0.34457848	-0.21835174	0.00599904	0.25936218	0.03163141
505.991	ATP [-H(+)]	cpd:C00002	dGTP [-H(+)]	cpd:C00286											0.27530848	0.6629565	0.99940105	7.6937E-4	0.22948762	0.00199293	0.04256925	0.78693885	-0.41447265	0.13048998	-0.32752489	0.09586093	-0.56988696	0.38736298	0.99546229	3.7905E-4	0.26915738	0.30725587	0.38303763	0.45773148	-1.28690342	7.69E-4	-0.76606092	0.49863535	-0.80736223	0.01572696	1.62758297	0.00109019	-0.28538185	0.08515453	-1.17814078	0.03327889	0.09010969	-1.55685925	5.8E-7	-0.27790994	0.97919564	0.37662712	0.00472696	0.50043753	0.3445483	-0.34739021	0.53289906	-0.2604515	0.58586981	0.42496673	0.0019612	-0.86662224	3.1894E-4	0.16294578	0.82539899	0.1101839	0.63808916	0.06755107	0.5010519	-0.1416412	0.28069376	-0.29316707	0.02227029	-0.01079471	0.91983648	0.23286174	0.09441112	-0.04036575	0.46952153	0.03993269	0.84385859	-0.09096711	0.62757828	-0.20001051	0.899	-0.03753748	0.94660784	-0.23830408	0.30809245

159.977	Carbamoyl phosphate [+F(-)]	cpd:C00169													-0.59260393	0.0386936	-0.79101153	0.00576915	0.80840549	0.71067888	-0.02689015	0.97244526	1.29705735	0.52367375	-0.27261337	0.35787177	0.29163802	0.91422967	1.69591403	0.42895968	1.55858909	0.45657094	1.14550797	0.71779283	-0.01863548	0.00576915	-0.23519865	0.5302783	-0.74888423	0.03475782	-0.61133934	0.077841	-0.84779097	0.02110785	-0.22867442	0.02200212	0.02617645	0.07169639	0.3321959	0.15114475	0.17290337	0.0271191	0.83752885	0.03310979	0.88902337	-0.2333819	0.68812929	-0.29228731	0.11315498	-0.36936129	0.02506834	-0.04929446	0.92460498	-0.05760432	0.3750703	-0.08677985	0.39819578	-0.32939125	0.0746441	-0.06086555	0.66224484	0.00580022	0.61826865	0.02935625	0.91630085	-0.07388983	0.55673557	-0.09747846	0.78978455	0.1780489	0.46154406	-0.85868785	0.13581244	-0.14373923	0.83646944	-0.15583025	0.41231081	0.62331833	7.4236E-4
139.975	Carbamoyl phosphate [-H(+)]	cpd:C00169																	-0.06855032	0.933342	0.23763895	0.97753246	-0.02046639	0.34826042	0.17469829	0.12813254	0.43075059	0.16447345	0.36319241	0.01151808	0.32843775	0.06612041	0.25282141	0.0726997	-0.20067405																											0.04367249	0.55367174	0.30913456	0.73916462	0.25257024	0.37420645	-0.12260297	0.20946088	0.09515481	0.69734762		0.93333138	0.14063836	0.77768469	0.06690808	0.54344845	-0.0811366	0.47374908	0.11760594	0.71021701	-0.16895104	0.6709862	-0.22693642	0.39872829	-0.09630655	0.39963078	1.2068669	4.0649E-4

402.011	CDP [-H(+)]	cpd:C00112													0.51361983	0.09785135	1.03926137	5.836E-5	0.20333794	0.29523675	0.41756396	0.91409748	-0.18643353	0.19391625	-0.43751003	0.10469651	-0.41655141	0.76302871	0.84675256	0.00321244	0.34464937	0.32477147	0.369843	0.39565535	-1.12321512	5.84E-5	0.24042016	0.09700094	-0.07220081	0.30743651	0.96400903	7.0933E-4	0.23361636	0.06122673	-0.34151694	0.08270809	0.12381725	-1.95065914	6.55E-6	0.15707747	0.26360627	0.26674133	0.2660769	0.17836977	0.76895612	-0.31642388	0.22688031	0.00588151	0.62578326	0.32081932	0.09714487	-1.84659262	8.068E-5	0.41499375	0.45832437	0.08044775	0.67946795	-0.0455534	0.66004307	-0.09876175	0.43863444	-0.43427139	0.07019345		0.97352689	0.59818733	0.00570805	-0.14102688	0.36192812	0.15565663	0.96788518	0.29041383	0.81215745	-0.49209532	0.00267162	0.34207267	0.462749	-0.72114584	0.00778361

507.102	CDP-choline [+F(-)]	cpd:C00307																	0.10084982	0.25072411	0.04529996	0.52752846	0.23186049	0.11303858	-0.06589141	0.35969136	0.21573489	0.24783744	0.48831022	0.00614861	0.25885051	0.16398875	0.11485656	0.28761255	0.26033964
487.1	CDP-choline [-H(+)]	cpd:C00307													-0.05753265	0.94101249	0.60931611	0.08032441	0.10656732	0.39526351	0.16677508	0.58807455	0.09323103	0.42153595	-0.11504174	0.08390496	0.05743573	0.25310844	0.58553856	0.00395065	0.16070869	0.51312301	0.15112935	0.41662241	0.19037999	0.08032441	1.29970273	8.658E-5	0.28005474	0.07089414	0.10937526	0.32942183	0.38970986	0.06509854	-0.07196651	0.38836421	0.94763999	1.06484343	4.1271E-4	-0.11016361	0.13909787	-0.1354563	0.02735748	0.12913597	0.31867041	0.00128814	0.2270145	0.00338405	0.62540099	0.08559944	0.65386724	0.0327737	0.89637849	-0.62800602	0.00554851	0.0686508	0.89219296	-0.11199239	0.17914185	0.14098447	0.64671884	0.42664938	0.02817373	0.52417363	0.00135544	-0.42755157	0.65693708	0.07484977	0.45403771		0.63275476	-0.47154201	0.01842697	0.0522201	0.46687256	-0.65052328	0.00138976	0.11686208	0.129832

203.068	Choline phosphate [+F(-)]	cpd:C00588													0.01696408	0.64891526	-0.22679997	0.00339659	-0.31602861	0.26010476	-0.08881931	0.51614547	-0.26196967	0.16438657	0.05939753	0.80751166	-0.10699731	0.460824	-0.33956478	0.18340372	-0.25225776	0.24100547	0.04699462	0.25372551	0.40770936	0.00339659																										-0.17179399	0.00728933	0.59665225	0.00560062	0.36011301	0.02726885	-0.14671693	0.53549179	-0.0581763	0.3957882	-0.12753262	0.50145517	-0.45038209	0.11434232	0.29358975	0.60109355	0.00519088	0.81302387	0.21564269	0.00759979	0.1053702	0.47292183	0.10527706	0.13426479	0.32532602	0.00592517	-0.84098275	0.00660611
183.067	Choline phosphate [-H(+)]	cpd:C00588																																																												-0.01564997	0.3880163	-0.77265229	0.03714907	-0.23094525	0.17427264	-0.31063056	0.03156427	-0.01209657	0.81707699	-0.09710931	0.78638459	-0.00492011	0.80465644	-0.29537403	0.30216492	-0.10557939	0.56233888	-0.2067214	0.98775642	-0.53913361	0.08975902	-0.26443651	0.78823488	-0.3963982	0.03528858	0.6376457	0.0051983

342.05	CMP [+F(-)]	cpd:C00055																																			-0.12383164	0.52679871	-0.10884448	0.12239211	0.13583979	0.44670231	-0.39034492	0.05356794	-0.18174302	0.03257619	0.08607401	-1.25109479	3.96E-4	0.03660306	0.65060357	0.19186365	0.00245425	-0.16721366	0.36224477	0.01324769	0.51892687	-0.1594996	0.11566565	-0.11938013	0.21451687
322.045	CMP [-H(+)]	cpd:C00055													0.4834801	0.09468631	0.97912677	0.04862998	-0.19179039	0.00178397	-0.15394308	0.36687446	-0.18762561	0.14311513	0.00796311	0.89388088	-0.11417084	0.55268495	-0.2050127	1.0667E-4	-0.13743341	0.38592718	0.04955646	0.41826822	0.11014124	0.04862998	0.02151884	0.53913643	0.14408462	0.17953193	-0.13893721	0.02075472	-0.29359042	0.00799306	-0.0442581	0.34619383	0.15938054	-0.31115934	0.00894291	0.09054346	0.02858274	0.11812015	0.48023066	-0.13545785	0.19422336	-0.01567211	0.14885595	0.04694549	0.40658738	0.08049741	0.34935864	0.07022774	0.2653814	0.26083	0.0502931	0.09305902	0.48760378	-0.12394027	3.963E-4	-0.11690307	0.17702286	-0.04647897	0.18099722	0.01503899	0.03583523	0.1400189	0.03009209	-0.17748685	0.28525851	0.18143441	0.29464674	0.27819701	0.0221244	-0.0773	0.41490053	0.2046577	1.0232E-4	-0.81662197	0.00291909

766.11	CoA [-H(+)]	cpd:C00010																	0.22018727	0.30979525	1.18236615	0.40698347	0.32744685	0.41241156	0.1383891	0.61997575	0.61137492	0.61303351	1.27741774	8.942E-5	0.34220358	0.9111199	0.03523805	0.55620186	-1.02258579																											-0.78972901	0.00248288	-0.4535347	0.01565741	0.1762848	0.19306937	-0.00467979	0.29778411	0.25786313	0.78549602	0.25960119	0.42799711	0.47797501	0.00796682	-0.20118884	0.91205637	0.3012939	0.89973483	-0.05140918	0.59006847	-0.15035078	0.20620672	-0.15458193	0.0646	-0.636322	0.00498765	-0.73253328	4.9502E-4

501.978	CTP [+F(-)]	cpd:C00063																																																												-0.16496009	0.00736997	0.37392894	0.0459038	0.27142295	0.05039496	-0.12361275	0.02035797	-0.04568372	0.39370389	-0.05145305	0.14517778	-0.02135552	0.86196941	0.30619977	0.00267388	0.06955634	0.99883179	0.21741336	0.39745583	-0.29687165	0.0428238	-0.11466519	0.71010108	0.20644004	0.02149358	-0.11644628	0.16217276
481.978	CTP [-H(+)]	cpd:C00063													0.52420655	0.05132596	1.81360477	3.387E-5	-0.15043973	0.44766019	-0.18836877	0.4043294	-0.18834965	0.46670225	-0.19482724	0.03581253	-0.00576559	0.78788198	0.4899685	0.01994179	0.34120408	0.22017074	3.6863E-4	0.69782426	-0.65301153	3.39E-5																										-0.168311	0.03183507	-0.09645372	0.24317088	0.02714691	0.66985424	-0.37007321	0.04284107	-0.10258245	0.31971892	-0.01037454	0.58002354	-0.03841977	0.52818719	0.2272729	0.0644839	0.00923252	0.48410597	0.17764349	0.76796221	-0.54241573	0.0118782	-0.12549065	0.73521536	-0.14126295	0.11423658	0.33081387	0.00483966

677.1	Cyclic di-3',5'-adenylate [+F(-)]	cpd:C20565																	-0.21828147	0.10540373	-0.16467146	0.33312882	-0.25222654	0.09457454	-0.27689439	0.03690527	0.11910381	0.58043967	-0.37960313	0.19842152	-0.11155221	0.42458151	-0.29514866	0.30096645	0.1241857
657.094	Cyclic di-3',5'-adenylate [-H(+)]	cpd:C20565													-0.20426411	0.18633547	-0.20689498	0.16582959																		0.16582959

242.079	Cytidine [-H(+)]	cpd:C00475													-0.06606619	0.67786086	0.01229521	0.42348772	-0.02943723	0.11005896	-0.08626096	0.71775072	0.03738008	0.88595688	-0.04968551	0.61755094	-0.11422836	0.17584324	0.13771544	0.26995675	0.08876791	0.52902471	0.20997298	0.00643068	0.15291667	0.42348773	0.24618082	0.02751374	0.38606559	7.6767E-4	-0.58183137	0.09638031	0.04174231	0.67637266	0.0015435	0.42791463	0.50165178	0.19560927	0.00836737	0.03478804	0.48783338	-0.35348061	0.08796422	-0.11222505	0.31294805	0.02501098	0.87096527	0.11062394	0.0053409	0.00559689	0.82408533	0.02772491	0.64695794	0.34627929	0.00222131	0.43910667	0.00375855	-0.02505155	0.83037568	0.12859781	0.06561273	0.09484342	0.08309079	0.17901432	0.00111621	0.02645456	0.85256754	-0.07976139	0.80537704	-0.05070789	0.26152112	0.16072842	0.01023611	-0.2786805	0.07753499	-0.28857312	0.00325223	-0.51367176	1.2E-4

430.036	dADP [+F(-)]	cpd:C00206																																			0.07284948	0.88643043	-0.90721938	0.01699012	-0.59826761	0.00107617	-0.32162292	0.02062139	-0.22659307	0.04433734	0.19747421	-0.30386236	0.13248642	0.16409823	0.68176735	0.02550267	0.60449692	0.01651191	0.91600553	-0.20799551	0.64918993	-0.07255004	0.54675057	-0.14388703	0.33443723
410.027	dADP [-H(+)]	cpd:C00206													-0.30222853	0.36076762	0.17450477	0.08532935	0.45045692	0.06108647	1.00803195	0.44842232	-0.0772725	0.33340912	-0.47615302	0.06983397	-0.19686626	0.48569883	0.83439905	0.01285249	0.28110406	0.20148232	0.29323028	0.95146753	-1.34119759	0.08532935	-0.59271959	0.02308555	-0.39281507	0.22052794	0.46009019	0.00743249	-0.79835126	0.00118535	-0.27443684	0.03967561	0.55718219	-1.59211988	4.9072E-4	0.139878	0.41954859	0.38092673	0.23290037	-0.17965941	0.83435439	-0.37559006	0.07958244	-0.11943333	0.2695072	0.00347637	0.5844888	-1.73010821	1.809E-5	0.01709572	0.77658655	-0.12739853	0.79718346	-0.18101315	0.35250978	-0.20131612	0.03266586	0.10301692	0.81826476	0.26660961	0.08665949	0.49520243	0.03091113	-0.1269785	0.45455123	-0.00186901	0.98136182	-0.11611834	0.84099536	-0.79598446	0.0013021	0.22705688	0.50676839	-0.51740805	0.01489497

330.062	dAMP [-H(+)]	cpd:C00360													-0.38539402	0.03465831	-0.43568831	0.34775166	-0.08227466	0.49614691	-0.02318838	0.94635704	-0.23432898	0.25407055	0.26824014	0.28811849	-0.03227732	0.98800901	0.24232029	0.01995723	-0.04947707	0.915139	0.11977168	0.52826707	-0.42253251	0.34775166	-0.84077636	0.01096537	-0.68948879	0.0039704	-0.21662147	0.55027849	-0.84888266	0.00423652	-0.41366488	0.0228312	0.18650392	-0.84264895	0.0117583	0.12792076	0.93013212	0.54201279	0.21258869	0.08182419	0.32501319	-0.39569561	0.32164184	-0.09608203	0.16249422	0.05611864	0.6871962	-0.75777143	1.5903E-4	-0.3728485	0.41968873	-0.22772968	0.98657544	-0.15471249	0.07798323	-0.27638308	0.0901069	0.16818099	0.17677312	0.64211769	0.00236593		0.54581428	-0.04326313	0.97755377	-0.03226352	0.87041256	-0.00443133	0.36168489	-0.39415781	0.07633666	0.1612988	0.51080749	-0.11401304	0.29990585

510.004	dATP [+F(-)]	cpd:C00131																																																												-0.10138306	0.06924091	-0.18623951	0.0501102	0.02552352	0.51160077	-0.18523482	0.0460169	-0.06789135	0.77128027	0.22134703	0.02119122	0.12936736	0.38864949	-0.02991972	0.74821185	0.08483961	0.18316091	0.11434798	0.82241166	-0.01555812	0.88404789	0.07745727	0.65860321	-0.05618294	0.2390208	0.43179671	0.17579294
489.993	dATP [-H(+)]	cpd:C00131													0.2395494	0.60021818	1.21632615	0.00434488	0.39104279	0.04593723	0.78385011	0.60418959	-0.13745584	0.61567559	-0.21516313	0.2499394	-0.03316452	0.73738009	0.42945641	0.16430365	0.16093648	0.53986175	-0.10537475	0.7972424	-0.63848118	0.00434488																										-1.45753969	4.924E-5	0.45447561	0.19215964	0.02015619	0.69991125	-0.06334514	0.4606165	-0.11032737	0.49438975	-0.27823734	0.4443486	-0.03644778	0.77400025	0.32801606	0.22920384	-0.01593557	0.63349005	0.05941623	0.82315323	-0.01590989	0.25956558	-0.33610498	0.10116172	0.17865325	0.56052572	-0.31856688	0.01040997

406.017	dCDP [+F(-)]	cpd:C00705													0.20398213	0.39950724	0.34026099	0.0902391																		0.0902391
386.016	dCDP [-H(+)]	cpd:C00705													-0.45665438	0.10492194	-0.93732129	3.564E-5	0.46326121	0.0614286	0.7654926	0.43170771	-0.03474641	0.70081818	-0.46644373	0.05298001	-0.22907971	0.69190407	1.05560536	0.00358687	0.60500808	0.10185886	0.57413689	0.42039469	-0.87016392	3.56E-5	-0.21991043	0.09967449	0.00118077	0.55856936	0.2423582	0.09627699	-0.38964918	0.00428562	-0.53278697	0.00199908	0.04417909	-1.21221179	0.00106102	-0.01226472	0.95163893	0.24757497	0.05807338	0.14739959	0.77331014	-0.40855233	0.32867702	-0.05779645	0.86506643	0.14986206	0.28069713	-1.57182717	6.297E-5	0.20128804	0.72908295	0.01963345	0.81931858	-0.27733269	0.25706071	-0.27837623	0.00284275	-0.0386271	0.92916923	0.18331895	0.05244857	0.49024872	7.097E-5	-0.0075881	0.62606691	0.12842191	0.7167092	0.10969841	0.96729185	-0.84912643	0.00252	0.25965323	0.4591691	-0.58441064	0.00468888

326.059	dCMP [+F(-)]	cpd:C00239																																																												-0.11046422	0.3212767	-0.06073076	0.82013283	0.19091483	0.0646147	-0.07698109	0.22231792	0.02674263	0.68941073	0.15023841	0.01076334	0.13549186	0.0113214	-0.05780534	0.82901161	0.1046092	0.10924754	0.04571312	0.95254477	-0.46042244	4.1338E-4	-0.0389839	0.58392313	-0.218275	0.01991374	-0.0133577	0.39454774
306.049	dCMP [-H(+)]	cpd:C00239													-0.03575897	0.21823261	-0.65789701	0.00426293	-0.02672863	0.45222557	0.02421935	0.87401414	-0.0679155	0.10302716	0.07971409	0.52699009	0.11755902	0.25689445	0.28658904	0.00306349	0.13124378	0.22828024	0.0222254	0.51733822	-0.13643743	0.00426293	-0.49133962	0.01267228	-0.44492961	0.01148078	-0.53844775	6.2001E-4	-0.5023822	0.00668888	-0.33602048	0.00443601	0.01430897	-0.41445413	0.01118297	0.01781805	0.30240109	0.17940779	0.42585937	-0.04521677	0.84166274	-0.08459194	0.44760583	-0.24871018	0.04015199	-0.01800839	0.81226118	-0.20749706	0.01504541	-0.40149146	0.0382416	-0.1402765	0.40388975	-0.33991584	0.01025288	-0.20438706	0.09913363	0.24734658	0.10525101	0.31028861	0.00113752	-0.13850654	0.83906838	0.1213509	0.93334291		0.9895265	-0.21220099	0.1655674	-0.04063109	0.6394666	-0.01434934	0.56848577	0.03160417	0.74163739

465.981	dCTP [-H(+)]	cpd:C00458													0.34711175	0.30356855	0.65819882	0.00321326	0.28422658	0.13599315	0.27646842	0.58613103	-0.07771849	0.20507815	-0.05398121	0.21766899	0.03539659	0.65429459	0.39018436	0.08000036	0.28758236	0.17440038	0.14707178	0.76656407	-0.87451393	0.00321326																										-0.38804566	0.10207434	0.10417097	0.95811155	-0.00978674	0.72265254	-0.22725941	0.09156458	-0.11909668	0.71441889	-0.09121503	0.1347153	0.06898357	0.3445615	0.15637682	0.17651363	0.10571373	0.86963117	0.08033033	0.74556285	-0.14507683	0.13835856	-0.20277349	0.78834763	0.0070733	0.93523807	-0.04938972	0.7041351

684.097	Deamino-NAD+ [+F(-)]	cpd:C00857																																																												-0.43967688	0.04601636	-0.22428263	0.34096546	0.15201577	0.12056583	-0.27934153	0.05278858	-0.27584212	0.03719707	-0.03213205	0.71206579	0.11350646	0.19448672	0.07145314999999999	0.35451861	0.11023537	0.59719701	-0.05756975	0.91124527	-0.17675446	0.02481629	0.01356927	0.67334734	-0.2358358	0.04486973	-0.12585969	0.22849579

# Fold change values for perturbations including P-value, not corrected for batch effect
GroupID															Glucose starvation_normal_perturbation_3	Glucose starvation_normal_perturbation_3	Glu_perturbation_6	Glu_perturbation_6	Glucose_starv_perturbation_7	Glucose_starv_perturbation_7	WT_noGluc_glucose starvation_7	WT_noGluc_glucose starvation_7	__	Amino acid starvation_normal_perturbation_3	Amino acid starvation_normal_perturbation_3	AA_perturbation_6	AA_perturbation_6	__	Iron limitation_normal_perturbation_3	Iron limitation_normal_perturbation_3	Fe_perturbation_6	Fe_perturbation_6	__	Oxidative stress_normal_perturbation_3	Oxidative stress_normal_perturbation_3	Ox_perturbation_6	Ox_perturbation_6	__	Glycerol as C-source_normal_perturbation_3	Glycerol as C-source_normal_perturbation_3	Gly_perturbation_6	Gly_perturbation_6	Gly_ctrl_perturbation_7	Gly_ctrl_perturbation_6	Tn051_Gly_perturbation_7	Tn051_Gly_perturbation_7	Tn420_Gly_perturbation_7	Tn420_Gly_perturbation_7	__	unclear_Ade_normal_perturbation_3	unclear_Ade_normal_perturbation_3
PERTURBATION															Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation	Glucose starvation
Name of experiment to find the conditions															Glucose starvation	Glucose starvation	Glu	Glu	Glucose_starv	Glucose_starv	WT_noGluc	WT_noGluc		Amino acid starvation	Amino acid starvation	AA	AA		Iron limitation	Iron limitation	Fe	Fe		Oxidative stress	Oxidative stress	Ox	Ox		Glycerol as C-source	Glycerol as C-source	Gly	Gly	Gly_ctrl	Gly_ctrl	Tn051_Gly	Tn051_Gly	Tn420_Gly	Tn420_Gly		unclear_Ade	unclear_Ade
BATCH															3	3	6	6	7	7	7	7		3	3	6	6		3	3	6	6		3	3	6	6		3	3	6	6	7	6	7	7	7	7		3	3
CONDITIONS															grown without glucose and washed without glucose		grown without glucose and washed with glucose		grown without glucose and washed without glucose		grown with glucose and washed without glucose			Amino acid stringent response by addying SHX. Washed without glucose		Amino acid stringent response by addying SHX. Washed with glucose			Iron starvation. Washed without glucose		Iron starvation. Washed with glucose			Oxidative stress. Washed without glucose		Oxidative stress. Washed with glucose			Glycerol as C-source instead of Glucose. Washed without glucose		Glycerol as C-source instead of Glucose. Washed with glucose		Glycerol as C-source instead of Glucose. Washed with glucose		Glycerol as C-source instead of Glucose. Washed with glucose		Glycerol as C-source instead of Glucose. Washed with glucose			Adenine added to the medium. Washed without glucose	Adenine added to the medium. Washed without glucose
Glucose washed															0		1		0		0			0		1			0		1			0		1			0		1		1		1		1			0	0
															normal_perturbation	normal_perturbation	perturbation	perturbation	perturbation	perturbation	glucose starvation	glucose starvation		normal_perturbation	normal_perturbation	perturbation	perturbation		normal_perturbation	normal_perturbation	perturbation	perturbation		normal_perturbation	normal_perturbation	perturbation	perturbation		normal_perturbation	normal_perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	perturbation		normal_perturbation	normal_perturbation
REFERENCE															CTL	CTL	WT	WT	WT	WT	WT	WT		CTL	CTL	WT	WT		CTL	CTL	WT	WT		CTL	CTL	WT	WT		CTL	CTL	WT	WT	WT	WT	Tn051	Tn051	Tn420	Tn420		CTL	CTL
Protein KO (KO),overexpressed (TF)															WT	WT	WT	WT	WT	WT	WT	WT		WT	WT	WT	WT		WT	WT	WT	WT		WT	WT	WT	WT		WT	WT	WT	WT	WT	WT	Tn051	Tn051	Tn420	Tn420		unclear_Ade	unclear_Ade
m/z	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	fold	p-value	fold	p-value	fold	p-value	fold	p-value		fold	p-value	fold	p-value		fold	p-value	fold	p-value		fold	p-value	fold	p-value		fold	p-value	fold	p-value	fold	p-value	fold	p-value	fold	p-value		fold	p-value
59.015	Acetate [-H(+)]	cpd:C00033													-1.84835627	4.0E-8	-0.88249942	0.0012937	-1.61303227	0.0036186	-1.17699878	1.2965E-4		0.10161055	0.28497244	-0.41962544	0.04527333		-0.0564427	0.07170334	-0.43558198	0.03025433		0.00535049	0.91677331	-0.16196736	0.52948101		0.1152838	0.38190923	-0.13708371	0.20117158	-0.0187171	0.41468644	-0.31269645	0.26927839	0.33572239	0.15177837		1.19000112	1.0258E-4

492.163	10-Formyltetrahydrofolate [+F(-)]	cpd:C00234	Folinic acid [+F(-)]	cpd:C03479															-0.3360511	0.07206483	-0.48258299	0.00554315																					-0.3407339	0.19796742	-0.5939961	0.02151461	0.81741654	0.08564438
472.154	10-Formyltetrahydrofolate [-H(+)]	cpd:C00234	Folinic acid [-H(+)]	cpd:C03479											-0.1271999	0.41597654								0.09711016	0.71447491				0.27203737	0.54263204				0.57284908	0.00118518				0.13261667	0.43283908										-0.45241671	5.895E-5

213.015	2-Deoxy-D-ribose 1-phosphate [-H(+)]	cpd:C00672	2-Deoxy-D-ribose 5-phosphate [-H(+)]	cpd:C00673											-0.49821682	0.03315506	0.29275908	0.00824002	-0.31167242	0.1532412	-0.25718067	0.16502347		-0.17945393	0.36756839	-0.27897715	0.00400562		-0.07408443	0.70377321	-0.06271131	0.61071735		0.04016674	0.19105016	-0.01080623	0.69869915		0.22052378	0.03300317	-0.02745213	0.67059562	0.47381542	0.27027424	-0.18345258	0.24496108	0.48907685	0.1948981		0.09805565	0.17892362

273.005	3-Dehydro-L-gulonate 6-phosphate [-H(+)]	cpd:C14899													-0.97581119	5.8E-7			-0.09426554	0.1964941	-0.29196078	2.9792E-4		-0.12747064	0.83225319				-0.09376289	0.10357498				-0.19924355	0.16163132				-0.29565878	0.05330091			0.01677999	0.46660278	-0.3779526	0.05305537	0.7696861	0.22268522		0.7692915	0.01721118

184.988	3-Phospho-D-glycerate [-H(+)]	cpd:C00197	2-Phospho-D-glycerate [-H(+)]	cpd:C00631											-1.3751137	6.258E-5	0.06101937	0.35725835	-0.6451985	0.04718425	-0.7569237	0.0022414		1.40058456	2.468E-5	0.82031881	9.7198E-4		0.43943639	0.01184618	0.02985791	0.88802745		-1.16131678	3.3473E-4	-0.64063839	7.5715E-4		0.39896122	0.02805301	-0.73042964	0.00957048	-0.00520345	0.45036717	0.13395089	0.65326655	0.22958829	0.29472439		1.5085445	7.3217E-4

284.96	3-Phospho-D-glyceroyl phosphate [+F(-)]	cpd:C00236
264.95	3-Phospho-D-glyceroyl phosphate [-H(+)]	cpd:C00236

475.163	5,10-Methenyltetrahydrofolate [+F(-)]	cpd:C00445

455.159	5,10-Methenyltetrahydrofolate [-H(+)]	cpd:C00445													-0.41699059	0.00619868								0.83147746	1.1946E-4				0.06917973	0.94193942				0.09214212	0.2527316				-0.01706747	0.85328471										-0.19713317	0.14730243
476.167	5,10-Methylenetetrahydrofolate [+F(-)]	cpd:C00143															-0.41734517	0.19625386								0.15960229	0.21269975				0.45349875	0.10445141				-1.73839784	0.00102729				-0.19783261	0.75008027

408.947	5-Phospho-alpha-D-ribose 1-diphosphate [+F(-)]	cpd:C00119																	-0.56333255	0.05146246	-0.5007061	0.00278085																					0.54743515	0.83134054	0.10901644	0.19642135	0.28495478	0.24478126
388.945	5-Phospho-alpha-D-ribose 1-diphosphate [-H(+)]	cpd:C00119													-1.8845251	2.34E-6			-0.12363035	0.17651217	-0.19450717	0.67280926		0.2622371	0.18012137				0.08625968	0.58139063				-1.05353398	9.342E-5				0.32639248	0.11324817			0.09822875	0.61919821	-0.51701913	0.13723054	0.54034842	0.14869814		1.19129165	0.00792138

138.98	Acetyl phosphate [-H(+)]	cpd:C00227													-0.76810458	9.2976E-4								-0.20915401	0.12527184				-0.42383249	0.04565529				0.14919402	0.08842557				-0.43153494	0.0127459										0.02961472	0.2373706

808.118	Acetyl-CoA [-H(+)]	cpd:C00024													0.12725809	0.931453			0.28610672	0.24559229	-0.24708668	0.35191118		-0.75476465	0.02683937				-0.20142085	0.25867723				-1.02735724	0.00813779				-0.26338321	0.50447469			-0.13208206	0.41285801	-0.02087993	0.63608504	0.6123151	0.17985235		0.71376614	0.05363017

154.052	Adenine [+F(-)]	cpd:C00147																	-1.75034706	9.421E-5	-1.06165789	0.00165389																					-0.78346884	0.05238805	-0.39790077	0.21431625	0.94742071	0.13547272
134.047	Adenine [-H(+)]	cpd:C00147													-1.40555486	8.0E-8	1.82315788	1.197E-5	0.45274449	0.06615558	0.11751626	0.00660919		-0.17732164	2.1056E-4	1.66773607	2.426E-5		-0.06316283	0.17088271	1.72436463	3.096E-5		-0.02580776	0.28882583	1.518879	9.5113E-4		-0.15619325	0.00277372	1.35528547	5.389E-5	-0.04494525	0.30318551	-0.05652671	0.07464525	0.05424736	0.68138185		1.60638709	3.06E-6

286.094	Adenosine [+F(-)]	cpd:C00212	Deoxyguanosine [+F(-)]	cpd:C00330													0.09150274	0.28453351	0.11851921	0.66961153	-0.25207265	0.00386391				1.42355998	3.9280000000000003E-5				1.67578451	1.235E-5				-0.03239793	0.60793188				1.38462278	5.336E-5	-0.01744071	0.72464095	-0.84078719	0.01297776	1.42882324	0.09426849
266.089	Adenosine [-H(+)]	cpd:C00212	Deoxyguanosine [-H(+)]	cpd:C00330

426.022	ADP [-H(+)]	cpd:C00008	Adenosine 3',5'-bisphosphate [-H(+)]	cpd:C00054	dGDP [-H(+)]	cpd:C00361									-2.14655477	1.4377E-4	0.47229813	0.0375977	0.58347242	0.24371366	0.14730053	0.8391364		-0.68076729	0.04560099	-1.04193608	0.01212985		-0.29984063	0.42832344	-1.41690471	0.00406351		-3.53761485	2.015E-5	-3.87332324	6.6E-7		-0.21465195	0.72961117	-1.08406797	0.00142294	-0.15030794	0.40241184	0.05283979	0.86266098	-0.30650295	0.86373604		1.82406971	0.00667534

346.057	AMP [-H(+)]	cpd:C00020	dGMP [-H(+)]	cpd:C00362											-1.17834562	1.415E-5	1.04647224	0.00256415	0.34546778	0.21842627	-0.00258727	0.80494761		-0.10864144	0.29739807	0.1816274	0.12326658		-0.03365674	0.47022272	-0.20038454	0.47961243		-0.64871359	0.00730929	-0.52098364	0.01987486		-0.22950576	0.05808722	-0.36311016	0.12565681	-0.17619718	0.16420059	0.39959531	0.43056341	-0.14711161	0.82282451		1.03373926	0.00268231

195.029	Ascorbate [+F(-)]	cpd:C00072															-0.85698213	0.00573545	-1.07336425	0.28634183	-0.98576571	2.2716E-4				-0.11955714	0.19244917				-0.36704854	0.07973185				-0.1863804	0.20981138				-0.53176608	0.02000708	0.12206642	0.87042927	-0.38892625	0.05950895	0.76360117	0.08046953
175.026	Ascorbate [-H(+)]	cpd:C00072															-1.05589003	4.4158E-4	-0.1239259	0.28349151	-0.34102059	0.03973874				-0.61490106	1.243E-4				-0.1784748	0.04540605				1.0926353	0.01497485				-0.77720132	0.03153715	0.65376825	0.69968481	-1.43791207	0.00647959	2.43434534	0.11510594

525.996	ATP [+F(-)]	cpd:C00002	dGTP [+F(-)]	cpd:C00286															0.09350403	0.71753687	-0.21835174	0.00599904																					0.09441595	0.76765293	-0.39780557	0.00300532	0.84066704	0.06966116
505.991	ATP [-H(+)]	cpd:C00002	dGTP [-H(+)]	cpd:C00286											-0.09649013	0.88341466	1.62758297	0.00109019	0.16294578	0.82539899	-0.03753748	0.94660784		0.4573774	0.11356463	-0.76606092	0.49863535		-0.26379291	0.03654561	-0.80736223	0.01572696		-1.19619339	3.473E-5	-1.55685925	5.8E-7		-0.29917419	0.04800432	-0.28538185	0.08515453	-0.11972829	0.19529001	-0.09096711	0.62757828	0.8023209	0.15806694		0.77898163	0.02018918

159.977	Carbamoyl phosphate [+F(-)]	cpd:C00169															-0.61133934	0.077841	-0.05760432	0.3750703	-0.15583025	0.41231081				-0.23519865	0.5302783				-0.74888423	0.03475782				0.07169639	0.3321959				-0.84779097	0.02110785	0.08297424	0.97580264	-0.85868785	0.13581244	0.55001315	0.22814602
139.975	Carbamoyl phosphate [-H(+)]	cpd:C00169																	0.30913456	0.73916462	-0.09630655	0.39963078																					0.20912901	0.73414419	-0.16895104	0.6709862	0.18686321	0.32684797

402.011	CDP [-H(+)]	cpd:C00112															0.96400903	7.0933E-4	0.41499375	0.45832437	0.34207267	0.462749				0.24042016	0.09700094				-0.07220081	0.30743651				-1.95065914	6.55E-6				0.23361636	0.06122673	0.11181903	0.86281969	0.29041383	0.81215745	-0.17776856	0.95573577

507.102	CDP-choline [+F(-)]	cpd:C00307
487.1	CDP-choline [-H(+)]	cpd:C00307															0.10937526	0.32942183	-0.62800602	0.00554851	-0.65052328	0.00138976				1.29970273	8.658E-5				0.28005474	0.07089414				1.06484343	4.1271E-4				0.38970986	0.06509854	-0.36948103	0.01876876	-0.47154201	0.01842697	0.92166522	0.12460551

203.068	Choline phosphate [+F(-)]	cpd:C00588																	0.59665225	0.00560062	0.32532602	0.00592517																					0.12350413	0.15912747	0.1053702	0.47292183	-0.65090565	0.4112098
183.067	Choline phosphate [-H(+)]	cpd:C00588													-0.43802866	3.8102E-4			-0.77265229	0.03714907	-0.3963982	0.03528858		0.26536849	0.04224328				0.20312119	0.04820122				0.42384529	2.0695E-4				0.24869826	0.18118349			0.16308061	0.9294504	-0.53913361	0.08975902	0.95112845	0.11484165		0.21080122	0.06620311

342.05	CMP [+F(-)]	cpd:C00055															0.13583979	0.44670231								-0.12383164	0.52679871				-0.10884448	0.12239211				-1.25109479	3.96E-4				-0.39034492	0.05356794
322.045	CMP [-H(+)]	cpd:C00055													-0.22995295	0.02221884	-0.13893721	0.02075472	0.26083	0.0502931	0.2046577	1.0232E-4		-0.06060217	0.45533441	0.02151884	0.53913643		0.18716384	0.05514994	0.14408462	0.17953193		0.08869429	0.20828095	-0.31115934	0.00894291		-0.10618167	0.06943742	-0.29359042	0.00799306	-0.07176912	0.81258596	0.27819701	0.0221244	-0.43250126	0.11156625		0.0175362	0.42097465

766.11	CoA [-H(+)]	cpd:C00010																	-0.4535347	0.01565741	-0.636322	0.00498765																					-0.93159953	0.03431423	-0.15035078	0.20620672	0.33379439	0.23798612

501.978	CTP [+F(-)]	cpd:C00063																	0.37392894	0.0459038	0.20644004	0.02149358																					-0.06272064	0.88622959	-0.29687165	0.0428238	0.5839119	0.1051352
481.978	CTP [-H(+)]	cpd:C00063													0.10479318	0.19627602			-0.09645372	0.24317088	-0.14126295	0.11423658		0.47916499	8.6154E-4				-0.09673323	0.15800199				-0.31241881	0.02814325				-0.29235193	0.01487056			0.0241561	0.47419598	-0.54241573	0.0118782	0.73343428	0.07616428		0.0563056	0.82000417

677.1	Cyclic di-3',5'-adenylate [+F(-)]	cpd:C20565
657.094	Cyclic di-3',5'-adenylate [-H(+)]	cpd:C20565													-0.1245571	0.09385194								0.15336312	0.02675219				0.07125432	0.25887932				1.05795592	1.7738E-4				0.13750357	0.08810422										-0.27988126	0.01104146

242.079	Cytidine [-H(+)]	cpd:C00475													-0.11433061	0.04640805	-0.58183137	0.09638031	0.34627929	0.00222131	-0.28857312	0.00325223		0.08954239	0.42010958	0.24618082	0.02751374		0.09154819	0.1474905	0.38606559	7.6767E-4		0.28226513	0.00593331	0.19560927	0.00836737		0.05539776	0.96398999	0.04174231	0.67637266	-0.16945641	0.04841574	0.16072842	0.01023611	-0.21794261	0.43953769		-0.10458376	0.3869898

430.036	dADP [+F(-)]	cpd:C00206															-0.59826761	0.00107617								0.07284948	0.88643043				-0.90721938	0.01699012				-0.30386236	0.13248642				-0.32162292	0.02062139
410.027	dADP [-H(+)]	cpd:C00206															0.46009019	0.00743249	0.01709572	0.77658655	0.22705688	0.50676839				-0.59271959	0.02308555				-0.39281507	0.22052794				-1.59211988	4.9072E-4				-0.79835126	0.00118535	-0.51113727	0.18012246	-0.11611834	0.84099536	0.00276947	0.4327973

330.062	dAMP [-H(+)]	cpd:C00360													-0.83559528	6.9265E-4	-0.21662147	0.55027849	-0.3728485	0.41968873	0.1612988	0.51080749		-0.37218465	0.02694178	-0.84077636	0.01096537		0.33691252	0.28501025	-0.68948879	0.0039704		-0.61173198	0.05735719	-0.84264895	0.0117583		-0.32182837	0.13237347	-0.84888266	0.00423652	-0.05759551	0.3512031	-0.00443133	0.36168489	0.50406818	0.09872505		1.18425187	0.00503907

510.004	dATP [+F(-)]	cpd:C00131																	-0.18623951	0.0501102	-0.05618294	0.2390208																					-0.24459963	0.00935419	-0.01555812	0.88404789	0.26775467	0.26090656
489.993	dATP [-H(+)]	cpd:C00131																	0.45447561	0.19215964	0.17865325	0.56052572																					0.07258972	0.93228072	-0.01590989	0.25956558	0.2918391	0.27359651

406.017	dCDP [+F(-)]	cpd:C00705
386.016	dCDP [-H(+)]	cpd:C00705													-0.62449623	0.00361081	0.2423582	0.09627699	0.20128804	0.72908295	0.25965323	0.4591691		-0.44513353	0.01287906	-0.21991043	0.09967449		0.71681974	0.00577376	0.00118077	0.55856936		-0.70059763	0.00150664	-1.21221179	0.00106102		-0.01753474	0.69366329	-0.38964918	0.00428562	-0.38135386	0.27952777	0.10969841	0.96729185	-0.00809009	0.4307429		0.59789503	0.00624819

326.059	dCMP [+F(-)]	cpd:C00239																	-0.06073076	0.82013283	-0.218275	0.01991374																					-0.1829706	0.20105413	-0.46042244	4.1338E-4	0.48394691	0.16158067
306.049	dCMP [-H(+)]	cpd:C00239													-0.11913364	0.15275439	-0.53844775	6.2001E-4	-0.40149146	0.0382416	-0.01434934	0.56848577		-0.15042438	0.25744612	-0.49133962	0.01267228		0.42223659	4.349E-4	-0.44492961	0.01148078		0.03398469	0.27842697	-0.41445413	0.01118297		-0.00309951	0.82594512	-0.5023822	0.00668888	-0.3060608	0.03093173	-0.21220099	0.1655674	0.42830611	0.14089768		0.50831415	0.00358679

465.981	dCTP [-H(+)]	cpd:C00458													-0.33962312	0.09026025			0.10417097	0.95811155	0.0070733	0.93523807		0.0239521	0.89009162				-0.15607047	0.47193462				-0.28283002	0.17640749				-0.1259724	0.29151253			0.05364709	0.5052228	-0.14507683	0.13835856	0.55789457	0.05336821		-0.69130251	0.1461798

684.097	Deamino-NAD+ [+F(-)]	cpd:C00857																	-0.22428263	0.34096546	-0.2358358	0.04486973																					-0.32444076	0.23151599	-0.17675446	0.02481629	0.38014583	0.11307334
664.096	Deamino-NAD+ [-H(+)]	cpd:C00857																	-0.21764792	0.50080924	-0.10522231	0.1869569																					-0.1212849	0.23075931	-0.1574066	0.17027498	0.42992395	0.08958473

270.098	Deoxyadenosine [+F(-)]	cpd:C00559																	-0.22318737	0.07403876	-0.11530661	0.03615612																					0.3505604	0.54983915	-0.89303233	0.00418512	1.34746733	0.13044795
250.094	Deoxyadenosine [-H(+)]	cpd:C00559															0.3000883	0.00309905	-3.88705332	1.0059E-4	-2.1621302	6.7408E-4				0.47939904	0.00317417				0.95887584	3.425E-5				1.33443202	1.3849E-4				1.52332637	5.9308E-4	-2.91497887	0.04737736	0.00717313	0.41373502	0.90812983	0.98952873

246.088	Deoxycytidine [+F(-)]	cpd:C00881																	-0.19519062	0.2094452	-0.23512656	6.9339E-4																					-0.12574011	0.86539477	-0.18335477	0.00708487	0.45043241	0.23608738

# Fold change values for including P-value, not corrected for batch effect
f															Tn051_MPN051_5	Tn051_MPN051_5	KO51_mutant_6	KO51_mutant_6	__	Tn674_N/A_5	Tn674_N/A_5	Tn674_mutant_6	Tn674_mutant_6	Tn674_mutant_7	Tn674_mutant_7	__	TF173_mutant_6	TF173_mutant_6	TF173_mutant_7	TF173_mutant_7	__	TF178_MPN250_5	TF178_MPN250_5	TF178_mutant_7	TF178_mutant_7	__	TF183_mutant_6	TF183_mutant_6	__	TF184_mutant_7	TF184_mutant_7	__	TF187_MPN674_5	TF187_MPN674_5	TF187_mutant_7	TF187_mutant_7	__	__	TF414_mutant_6	TF414_mutant_6	__	TF462_mutant_6	TF462_mutant_6	TF462_mutant_7	TF462_mutant_7	__	TF463_mutant_6	TF463_mutant_6	TF463_mutant_7	TF463_mutant_7	TF413_mutant_7	TF413_mutant_7	__
Protein KO (KO),overexpressed (TF), or perturbation															Tn051	Tn051	KO51	KO51		Tn674	Tn674	Tn674	Tn674	Tn674	Tn674		TF173	TF173	TF173	TF173		TF178	TF178	TF178	TF178		TF183	TF183		TF184	TF184		TF187	TF187	TF187	TF187			TF414	TF414		TF462	TF462	TF462	TF462		TF463	TF463	TF463	TF463	TF413	TF413
Name of experiment to find the conditions
BATCH															5	5	6	6		5	5	6	6	7	7		6	6	7	7		5	5	7	7		6	6		7	7		5	5	7	7			6	6		6	6	7	7		6	6	7	7	7	7
GLUCOSE in THE WASH															1	1	1	1		1	1	1	1	1	1		1	1	1	1		1	1	1	1		1	1		1	1		1	1	1	1			1	1		1	1	1	1		1	1	1	1	1	1
															MPN051	MPN051	mutant	mutant		N/A	N/A	mutant	mutant	mutant	mutant		mutant	mutant	mutant	mutant		MPN250	MPN250	mutant	mutant		mutant	mutant		mutant	mutant		MPN674	MPN674	mutant	mutant			mutant	mutant		mutant	mutant	mutant	mutant		mutant	mutant	mutant	mutant	mutant	mutant
REFERENCE															MEDIAN block 5		Gent-Cm	Gent-Cm		REF2 block 5		REF Tns block 6		REF block 7			REF2 block 6		REF block 7			REF2 block 5		REF block 7			REF2 block 6			REF block 7			MEDIAN block 5		REF block 7				REF2 block 6			REF2 block 6		REF block 7			REF2 block 6		REF block 7		REF block 7
Protein KO (KO),overexpressed (TF), or perturbation															Tn051	Tn051	KOMPN51-gpsA	KOMPN51-gpsA		Tn674	Tn674	Tn674	Tn674	Tn674	Tn674		TF173	TF173	TF173	TF173		TF178	TF178	TF178	TF178		TF183	TF183		TF184	TF184		TF187	TF187	TF187	TF187			TF414	TF414		TF462	TF462	TF462	TF462		TF463	TF463	TF463	TF463	TF413	TF413
MPN															MPN051-KO		KOMPN51-gpsA	KOMPN51-gpsA		MPN674-KO		MPN674-KO		MPN674-KO			MPN303		MPN303			MPN250		MPN250			MPN606			MPN627			MPN674		MPN674				MPN430			MPN025		MPN025			MPN302		MPN302		MPN051
Enzyme															GlpD		GlpD/GpsA			Ldh		Ldh		Ldh			pyk		pyk			pgiB		pgiB			eno			ptsI			ldh	ldh	ldh	ldh			gap	gap		tsr	tsr	tsr	tsr		pfk	pfk	pfk	pfk	GlpD	GlpD
mRNA fold															NA		NA			NA		NA		NA			1.291214505		1.291214505			1.4085032795		1.4085032795			0.549999999999999			1.7384333675			1.26939831		1.26939831				0.27			0.48		0.48			3.4236509485		3.4236509485		4.03464644
Protein fold															NA		NA			NA		NA		NA			ND		ND			0.805		0.805			0.41499999999999904			1.425			0.4		0.4				ND			ND		ND			ND		ND		ND
Protein (estimation)																											1.2639698789445		1.2639698789445																				0.264303			0.46987199999999996		0.46987199999999996			3.35141191348665		3.35141191348665		3.949515400116
															Tn051	Tn051	KO51	KO51		Tn674	Tn674	Tn674	Tn674	Tn674	Tn674		TF173	TF173	TF173	TF173		TF178	TF178	TF178	TF178		TF183	TF183		TF184	TF184		TF187	TF187	TF187	TF187			TF414	TF414		TF462	TF462	TF462	TF462		TF463	TF463	TF463	TF463	TF413	TF413
m/z	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	metabolite	KEGG ID	fold	p-value	fold	p-value		fold	p-value	fold	p-value	fold	p-value		fold	p-value	fold	p-value		fold	p-value	fold	p-value		fold	p-value		fold	p-value		fold	p-value	fold	p-value			fold	p-value		fold	p-value	fold	p-value		fold	p-value	fold	p-value	fold	p-value

59.015	Acetate [-H(+)]	cpd:C00033													0.23581002	0.41640352	-0.29773791	0.49662622		0.73675355	0.29683334	-0.47618216	0.00178908	0.01499603	0.19027661			0.6207101	-0.10159866	0.35985527		0.56329858	0.66661983	-0.02119126	0.92431988		0.0758533	0.62348882		0.07390864	0.0741626		0.237486	0.25423779	0.32968947	0.01842743			-0.2554397	0.61972678		-0.15142072	0.44889669	-0.09967462	0.78853958		-0.23555429	0.0366982		0.81784305	-0.38100331	0.73947692

492.163	10-Formyltetrahydrofolate [+F(-)]	cpd:C00234	Folinic acid [+F(-)]	cpd:C03479																				-0.2673682	0.42024581				-0.41088063	0.02515179				0.09998887	0.89832401					0.41702269	0.33821557				0.29006328	0.04314								0.34798334	0.12866657				-0.06363267	0.3169569	-0.45103253	0.45835574
472.154	10-Formyltetrahydrofolate [-H(+)]	cpd:C00234	Folinic acid [-H(+)]	cpd:C03479

213.015	2-Deoxy-D-ribose 1-phosphate [-H(+)]	cpd:C00672	2-Deoxy-D-ribose 5-phosphate [-H(+)]	cpd:C00673											0.53702621	7.0092E-4	0.15733329	0.45626211		-0.03619493	0.84959752	-0.03745273	0.90815414	-0.11349378	0.95170519		0.08348127	0.18999865	-0.09324667	0.2102995		-0.02913349	0.70660138	-0.03721707	0.4075019		-0.05543381	0.06554487		-0.02048918	0.59693225		0.10296159	0.2206738	-0.10866144	0.81084955			-0.1524141	0.22664421		0.1778617	0.17653083	0.1401994	0.90764148		0.08427839	0.62568268	0.09060774	0.60435784	-0.11274815	0.69340057

273.005	3-Dehydro-L-gulonate 6-phosphate [-H(+)]	cpd:C14899													0.00736263	0.47252253				0.17668089	0.44049266			0.08170352	0.2992982				-0.3261869	0.00609695		0.08819286	0.96189856	-0.13294872	0.5593425					0.11300727	0.14565454		0.51766997	0.3054867	0.0483941	0.24499854								0.10387924	0.81069493				0.05583841	0.71258937	-0.10751494	0.19942551

184.988	3-Phospho-D-glycerate [-H(+)]	cpd:C00197	2-Phospho-D-glycerate [-H(+)]	cpd:C00631											-0.43297872	0.02021687	-0.43047644	0.0031279		0.24291502	0.53279774	-0.2313274	0.31828648	-0.22610374	0.17797278		-0.0470525	0.92898944	-0.20281063	0.2552943		0.52636616	0.3935115	0.07387765	0.74805823		0.49513185	0.12974594		0.18742752	0.10830089		0.09163495	0.13525588	0.20456731	0.0794484			-0.09024961	0.87286771		-0.27498081	0.32069461	0.02306016	0.91583034		-0.24551619	0.1929436	0.09878254	0.50761689	-0.1661778	0.83255983

284.96	3-Phospho-D-glyceroyl phosphate [+F(-)]	cpd:C00236													-0.00656714	0.54540066				0.19843957	0.33596728											0.17274754	0.8949165										0.147635	0.14848519
264.95	3-Phospho-D-glyceroyl phosphate [-H(+)]	cpd:C00236

475.163	5,10-Methenyltetrahydrofolate [+F(-)]	cpd:C00445

455.159	5,10-Methenyltetrahydrofolate [-H(+)]	cpd:C00445
476.167	5,10-Methylenetetrahydrofolate [+F(-)]	cpd:C00143													-0.10586689	0.00842343	0.09823414	0.82908489		0.0705616	0.55151101	-0.06065111	0.95074306				0.12301442	8.441E-5				-0.0776767	0.75543416				-0.09639581	0.00262468					0.02845556	0.73497829					-0.14744116	0.14887497		-0.06565114	0.01428798				0.10417396	0.23639307

408.947	5-Phospho-alpha-D-ribose 1-diphosphate [+F(-)]	cpd:C00119																						0.28564545	0.01492919				-0.09474935	0.16377637				-0.01922826	0.53750234					0.37997671	0.01112377				0.34798502	0.00360444								-0.08431992	0.32699956				-0.04714348	0.73337339	0.12066545	0.84378387
388.945	5-Phospho-alpha-D-ribose 1-diphosphate [-H(+)]	cpd:C00119													0.20932988	0.11064333				-0.14751102	0.67225373			-0.62698825	0.26933632					0.67166149		0.50852134	0.79949609	-0.12291789	0.13964457					-0.31240642	0.32594736		-0.03671582	0.92980607	-0.1212298	0.81149504								-0.25047171	0.49004039				-0.36295082	0.58668713	0.45017732	0.00477433

138.98	Acetyl phosphate [-H(+)]	cpd:C00227

808.118	Acetyl-CoA [-H(+)]	cpd:C00024													0.32095366	0.20123325				-0.18857621	0.75920526			-0.33064321	0.512				-0.08337486	0.48544258		1.43267267	0.61528112	-0.21780381	0.00223582					-0.23104131	0.00187403		-0.15491949	0.67487258	0.06745301	0.91285423								-0.1599907	0.39246123				0.25427828	0.30728671	0.28093675	0.00832421

154.052	Adenine [+F(-)]	cpd:C00147													0.12102381	0.91694771				0.02529606	0.75095258			-0.49353754	0.2210397				-0.45375639	0.0377346		0.07357329	0.32805863	0.17893109	0.89546774					0.32191466	0.37749663		0.07809487	0.59458684	0.487122	0.01743346								0.27569148	0.2254846				-0.36917748	0.16302271	-0.84038406	0.40051752
134.047	Adenine [-H(+)]	cpd:C00147													-0.17037584	0.07636334	-0.16155049	0.11631406		-0.10765381	0.65665933	0.06079844	0.01743868	-0.23730124	0.11775909		0.04854646	0.93610649	0.07102588	0.37531843		-0.03472282	0.25535078	-0.02229037	0.76791611		0.05484839	0.59991651		-0.1049447	0.12250322		0.06357375	0.95490146	-0.11034291	0.02204299			-0.02397598	0.11034463			0.51451585	-0.06762864	0.0340999		-0.00860511	0.42410677	0.03466536	0.12980697	0.18070756	0.37219594

286.094	Adenosine [+F(-)]	cpd:C00212	Deoxyguanosine [+F(-)]	cpd:C00330											-0.22398276	0.40593273	-0.29607547	0.1210199		-0.12227757	0.61124121	-0.19943457	0.04924878	0.01046662	0.49070807		-0.09372308	0.5329429	0.04066107	0.25353057		-0.22534373	0.64992314	-0.07299128	0.89352353		-0.12963621	0.0132248		-0.10463895	0.56170146		-0.0280117	0.23751956	0.08035644	0.17759329			-0.03011196	0.74197451		-0.09687279	0.32971881	-0.06760414	0.56659386		0.15595962	0.40025187	-0.14516552	0.85388157	0.27910709	0.42310798
266.089	Adenosine [-H(+)]	cpd:C00212	Deoxyguanosine [-H(+)]	cpd:C00330											-0.21608464	0.50327771				0.01224731	0.54366596											0.02867212	0.32527959										0.12941489	0.58338462

426.022	ADP [-H(+)]	cpd:C00008	Adenosine 3',5'-bisphosphate [-H(+)]	cpd:C00054	dGDP [-H(+)]	cpd:C00361									-0.19213511	0.26387765	-0.19053821	0.32886408		-0.22334311	0.67239652	0.58351	0.02133439	-0.5489862	0.00800737		-2.6869E-4	0.84532467	-0.00757718	0.6747912		0.74549008	0.61931927	-0.13978519	0.64896101		0.31334679	0.19894846		-0.22192101	0.35372517		0.03544897	0.54503543	0.13814346	0.70809947			0.17508303	0.95957482		-0.6650666	0.05709002	-0.07035959	0.61821472		-0.13508699	0.48430644	0.27579455	0.90104756	0.40617042	0.10325648

346.057	AMP [-H(+)]	cpd:C00020	dGMP [-H(+)]	cpd:C00362											0.09987918	0.83569385	-0.12651215	0.54876813		-0.40177767	0.08034626	0.28014732	0.00222385	-0.19521304	0.0645238		0.43031599	0.02476283	-0.0347106	0.40097835		-0.10126005	0.51054701	-0.11294863	0.85790112		0.26926079	0.43705604		-0.0774091	0.98441544		-0.45007015	0.05016972	0.27201873	0.02787769			0.22769333	0.34078095		-0.08876503	0.23841732	0.08915777	0.69092625		0.02112347	0.32733915	-0.05432412	0.73757988	0.12737372	0.28651064

195.029	Ascorbate [+F(-)]	cpd:C00072													0.09405984	0.44648249	-0.29101585	0.19196284		0.19372711	0.39702472	-0.27812141	0.00206128	-0.05189763	0.47104286		3.2401E-4	0.81360234	-0.25578248	0.05817991		0.23373209	0.84070907	0.07208429	0.52240542		0.03684804	0.85579378		0.24143135	0.01265039		0.04056246	0.81629084	0.32075409	0.00306117			-0.24431246	0.52085897		-0.02515768	0.66558566	0.12317386	0.83182097		-0.1126364	0.31768897	-0.10083509	0.76765932	0.06933806	0.76409927
175.026	Ascorbate [-H(+)]	cpd:C00072													0.35442923	0.09833873	-0.13379363	0.32822921		0.20013003	0.03439038	-0.2289369	0.01591348	0.0996626	0.38280539		0.25392027	0.07674925	-0.52122018	0.00215432		0.00426952	0.35096973	-0.18789273	0.2715647		0.10198084	0.12580753		0.16767472	0.24291889		0.12022397	0.54119315	0.0094516	0.41753472			-0.19265658	0.09299808		-0.01829859	0.79282991	-0.03273644	0.56510643		-0.00427201	0.64359093	0.42857973	0.39189773	0.16655471	0.49544738

525.996	ATP [+F(-)]	cpd:C00002	dGTP [+F(-)]	cpd:C00286																				0.02963408	0.34457848				-0.14111059	0.05252539				-0.14535112	0.20943171					0.0613915	0.46681848				-0.00709231	0.66563256								0.10839199	0.59870953				0.12276907	0.17101934	0.24755139	0.22971113
505.991	ATP [-H(+)]	cpd:C00002	dGTP [-H(+)]	cpd:C00286											-0.32752489	0.09586093	-0.91547545	0.09010969		-0.56988696	0.38736298	0.42496673	0.0019612	-0.20001051	0.899		-0.27790994	0.97919564	0.06755107	0.5010519		0.04256925	0.78693885	-0.1416412	0.28069376		0.37662712	0.00472696		-0.29316707	0.02227029		-0.41447265	0.13048998	-0.01079471	0.91983648			0.50043753	0.3445483		-0.34739021	0.53289906	-0.04036575	0.46952153		-0.2604515	0.58586981	0.03993269	0.84385859	0.23286174	0.09441112

159.977	Carbamoyl phosphate [+F(-)]	cpd:C00169													-0.27261337	0.35787177	-0.37299464	0.02617645		0.29163802	0.91422967	-0.36936129	0.02506834	-0.14373923	0.83646944		0.15114475	0.17290337	-0.32939125	0.0746441		-0.02689015	0.97244526	-0.06086555	0.66224484		0.0271191	0.83752885		0.00580022	0.61826865		1.29705735	0.52367375	0.02935625	0.91630085			0.03310979	0.88902337		-0.2333819	0.68812929	-0.09747846	0.78978455		-0.29228731	0.11315498	0.1780489	0.46154406	-0.07388983	0.55673557
139.975	Carbamoyl phosphate [-H(+)]	cpd:C00169													0.17469829	0.12813254				0.43075059	0.16447345			-0.22693642	0.39872829				-0.12260297	0.20946088		0.23763895	0.97753246	0.09515481	0.69734762						0.93333138		-0.02046639	0.34826042	0.14063836	0.77768469								-0.0811366	0.47374908				0.11760594	0.71021701	0.06690808	0.54344845

402.011	CDP [-H(+)]	cpd:C00112													-0.43751003	0.10469651	-0.26405173	0.12381725		-0.41655141	0.76302871	0.32081932	0.09714487	-0.49209532	0.00267162		0.15707747	0.26360627	-0.0455534	0.66004307		0.41756396	0.91409748	-0.09876175	0.43863444		0.26674133	0.2660769		-0.43427139	0.07019345		-0.18643353	0.19391625		0.97352689			0.17836977	0.76895612		-0.31642388	0.22688031	-0.14102688	0.36192812		0.00588151	0.62578326	0.15565663	0.96788518	0.59818733	0.00570805

507.102	CDP-choline [+F(-)]	cpd:C00307													-0.06589141	0.35969136				0.21573489	0.24783744											0.04529996	0.52752846										0.23186049	0.11303858
487.1	CDP-choline [-H(+)]	cpd:C00307													-0.11504174	0.08390496	4.8366E-4	0.94763999		0.05743573	0.25310844	0.08559944	0.65386724	0.0522201	0.46687256		-0.11016361	0.13909787	-0.11199239	0.17914185		0.16677508	0.58807455	0.14098447	0.64671884		-0.1354563	0.02735748		0.42664938	0.02817373		0.09323103	0.42153595	0.52417363	0.00135544			0.12913597	0.31867041		0.00128814	0.2270145	0.07484977	0.45403771		0.00338405	0.62540099		0.63275476	-0.42755157	0.65693708

203.068	Choline phosphate [+F(-)]	cpd:C00588													0.05939753	0.80751166				-0.10699731	0.460824			0.10527706	0.13426479				-0.14671693	0.53549179		-0.08881931	0.51614547	-0.0581763	0.3957882					-0.12753262	0.50145517		-0.26196967	0.16438657	-0.45038209	0.11434232								0.00519088	0.81302387				0.21564269	0.00759979	0.29358975	0.60109355
183.067	Choline phosphate [-H(+)]	cpd:C00588																						-0.26443651	0.78823488				-0.31063056	0.03156427				-0.01209657	0.81707699					-0.09710931	0.78638459				-0.00492011	0.80465644								-0.10557939	0.56233888				-0.2067214	0.98775642	-0.29537403	0.30216492

342.05	CMP [+F(-)]	cpd:C00055															-0.14447265	0.08607401				-0.11938013	0.21451687				0.03660306	0.65060357									0.19186365	0.00245425											-0.16721366	0.36224477		0.01324769	0.51892687				-0.1594996	0.11566565
322.045	CMP [-H(+)]	cpd:C00055													0.00796311	0.89388088	-0.08929141	0.15938054		-0.11417084	0.55268495	0.08049741	0.34935864	-0.0773	0.41490053		0.09054346	0.02858274	-0.12394027	3.963E-4		-0.15394308	0.36687446	-0.11690307	0.17702286		0.11812015	0.48023066		-0.04647897	0.18099722		-0.18762561	0.14311513	0.01503899	0.03583523			-0.13545785	0.19422336		-0.01567211	0.14885595	-0.17748685	0.28525851		0.04694549	0.40658738	0.18143441	0.29464674	0.1400189	0.03009209

766.11	CoA [-H(+)]	cpd:C00010													0.1383891	0.61997575				0.61137492	0.61303351			-0.15458193	0.0646				-0.00467979	0.29778411		1.18236615	0.40698347	0.25786313	0.78549602					0.25960119	0.42799711		0.32744685	0.41241156	0.47797501	0.00796682								0.3012939	0.89973483				-0.05140918	0.59006847	-0.20118884	0.91205637

501.978	CTP [+F(-)]	cpd:C00063																						-0.11466519	0.71010108				-0.12361275	0.02035797				-0.04568372	0.39370389					-0.05145305	0.14517778				-0.02135552	0.86196941								0.06955634	0.99883179				0.21741336	0.39745583	0.30619977	0.00267388
481.978	CTP [-H(+)]	cpd:C00063													-0.19482724	0.03581253				-0.00576559	0.78788198			-0.12549065	0.73521536				-0.37007321	0.04284107		-0.18836877	0.4043294	-0.10258245	0.31971892					-0.01037454	0.58002354		-0.18834965	0.46670225	-0.03841977	0.52818719								0.00923252	0.48410597				0.17764349	0.76796221	0.2272729	0.0644839

677.1	Cyclic di-3',5'-adenylate [+F(-)]	cpd:C20565													-0.27689439	0.03690527				0.11910381	0.58043967											-0.16467146	0.33312882										-0.25222654	0.09457454
657.094	Cyclic di-3',5'-adenylate [-H(+)]	cpd:C20565

242.079	Cytidine [-H(+)]	cpd:C00475													-0.04968551	0.61755094	-0.02088479	0.50165178		-0.11422836	0.17584324	0.00559689	0.82408533	-0.2786805	0.07753499		0.03478804	0.48783338	-0.02505155	0.83037568		-0.08626096	0.71775072	0.12859781	0.06561273		-0.35348061	0.08796422		0.09484342	0.08309079		0.03738008	0.88595688	0.17901432	0.00111621			-0.11222505	0.31294805		0.02501098	0.87096527	-0.07976139	0.80537704		0.11062394	0.0053409	-0.05070789	0.26152112	0.02645456	0.85256754

430.036	dADP [+F(-)]	cpd:C00206															-0.26913123	0.19747421				-0.14388703	0.33443723				0.16409823	0.68176735									0.02550267	0.60449692											0.01651191	0.91600553		-0.20799551	0.64918993				-0.07255004	0.54675057
410.027	dADP [-H(+)]	cpd:C00206													-0.47615302	0.06983397	-0.03000563	0.55718219		-0.19686626	0.48569883	0.00347637	0.5844888	-0.79598446	0.0013021		0.139878	0.41954859	-0.18101315	0.35250978		1.00803195	0.44842232	-0.20131612	0.03266586		0.38092673	0.23290037		0.10301692	0.81826476		-0.0772725	0.33340912	0.26660961	0.08665949			-0.17965941	0.83435439		-0.37559006	0.07958244	-0.1269785	0.45455123		-0.11943333	0.2695072	-0.00186901	0.98136182	0.49520243	0.03091113

330.062	dAMP [-H(+)]	cpd:C00360													0.26824014	0.28811849	-0.13584627	0.18650392		-0.03227732	0.98800901	0.05611864	0.6871962	-0.39415781	0.07633666		0.12792076	0.93013212	-0.15471249	0.07798323		-0.02318838	0.94635704	-0.27638308	0.0901069		0.54201279	0.21258869		0.16818099	0.17677312		-0.23432898	0.25407055	0.64211769	0.00236593			0.08182419	0.32501319		-0.39569561	0.32164184	-0.04326313	0.97755377		-0.09608203	0.16249422	-0.03226352	0.87041256		0.54581428

510.004	dATP [+F(-)]	cpd:C00131																						0.07745727	0.65860321				-0.18523482	0.0460169				-0.06789135	0.77128027					0.22134703	0.02119122				0.12936736	0.38864949								0.08483961	0.18316091				0.11434798	0.82241166	-0.02991972	0.74821185
489.993	dATP [-H(+)]	cpd:C00131													-0.21516313	0.2499394				-0.03316452	0.73738009			-0.33610498	0.10116172				-0.06334514	0.4606165		0.78385011	0.60418959	-0.11032737	0.49438975					-0.27823734	0.4443486		-0.13745584	0.61567559	-0.03644778	0.77400025								-0.01593557	0.63349005				0.05941623	0.82315323	0.32801606	0.22920384

406.017	dCDP [+F(-)]	cpd:C00705
386.016	dCDP [-H(+)]	cpd:C00705													-0.46644373	0.05298001	-0.23945103	0.04417909		-0.22907971	0.69190407	0.14986206	0.28069713	-0.84912643	0.00252		-0.01226472	0.95163893	-0.27733269	0.25706071		0.7654926	0.43170771	-0.27837623	0.00284275		0.24757497	0.05807338		-0.0386271	0.92916923		-0.03474641	0.70081818	0.18331895	0.05244857			0.14739959	0.77331014		-0.40855233	0.32867702	-0.0075881	0.62606691		-0.05779645	0.86506643	0.12842191	0.7167092	0.49024872	7.097E-5

326.059	dCMP [+F(-)]	cpd:C00239																						-0.0389839	0.58392313				-0.07698109	0.22231792				0.02674263	0.68941073					0.15023841	0.01076334				0.13549186	0.0113214								0.1046092	0.10924754				0.04571312	0.95254477	-0.05780534	0.82901161
306.049	dCMP [-H(+)]	cpd:C00239													0.07971409	0.52699009	-0.36377933	0.01430897		0.11755902	0.25689445	-0.01800839	0.81226118	-0.04063109	0.6394666		0.01781805	0.30240109	-0.33991584	0.01025288		0.02421935	0.87401414	-0.20438706	0.09913363		0.17940779	0.42585937		0.24734658	0.10525101		-0.0679155	0.10302716	0.31028861	0.00113752			-0.04521677	0.84166274		-0.08459194	0.44760583	0.1213509	0.93334291		-0.24871018	0.04015199		0.9895265	-0.13850654	0.83906838

465.981	dCTP [-H(+)]	cpd:C00458													-0.05398121	0.21766899				0.03539659	0.65429459			-0.20277349	0.78834763				-0.22725941	0.09156458		0.27646842	0.58613103	-0.11909668	0.71441889					-0.09121503	0.1347153		-0.07771849	0.20507815	0.06898357	0.3445615								0.10571373	0.86963117				0.08033033	0.74556285	0.15637682	0.17651363

684.097	Deamino-NAD+ [+F(-)]	cpd:C00857																						0.01356927	0.67334734				-0.27934153	0.05278858				-0.27584212	0.03719707					-0.03213205	0.71206579				0.11350646	0.19448672								0.11023537	0.59719701				-0.05756975	0.91124527	0.07145314999999999	0.35451861

# List of genes used to map KO description labels to locusu tag
	All mutant targets		Unique genes targetted
	gpsA	0
	KOMPN51-gpsA	65	KOMPN51
	KOMPN51-gpsA	KO51	MPN025
	KOMPN51-gpsA	0	MPN033
	KOMPN51-gpsA	6	MPN051
	MPN025	1	MPN053
	MPN025	mutant	MPN05
	MPN033	Cm	MPN063
	MPN051	gpsA	MPN064
	MPN051-KO	0	MPN076
	MPN051-KO	0	MPN082
	MPN053	0	MPN114
	MPN053-P		MPN159
	MPN05-KO1		MPN162
	MPN063		MPN194
	MPN063		MPN244
	MPN063		MPN246
	MPN064		MPN250
	MPN064		MPN255
	MPN064		MPN273
	MPN076-KO		MPN302
	MPN082		MPN303
	MPN082		MPN348
	MPN114		MPN397
	MPN114-KO		MPN420
	MPN159-KO		MPN428
	MPN162-KO		MPN429
	MPN194		MPN430
	MPN244		MPN473
	MPN246		MPN475
	MPN246		MPN487
	MPN250		MPN506
	MPN250		MPN547
	MPN255		MPN566
	MPN273		MPN576
	MPN302		MPN606
	MPN302		MPN608
	MPN303		MPN615
	MPN303		MPN627
	MPN303		MPN629
	MPN303		MPN634
	MPN348		MPN667
	MPN348		MPN673
	MPN397-KO		MPN674
	MPN397-KO
	MPN420-KO
	MPN420-KO
	MPN420-KO
	MPN420-KO
	MPN428
	MPN428
	MPN428
	MPN429
	MPN429
	MPN430
	MPN430
	MPN473
	MPN475
	MPN487
	MPN506-KO
	MPN547
	MPN566
	MPN566-KO
	MPN576
	MPN606
	MPN606
	MPN608
	MPN608
	MPN615
	MPN627
	MPN627
	MPN627
	MPN629
	MPN629
	MPN634
	MPN667
	MPN673
	MPN674
	MPN674
	MPN674-KO
	MPN674-KO
	MPN674-KO
	MPN674-KO
	MPN674-KO, NoxE OE
	Tetracicline

# Fold Change values, corrected using median metabolite fold change values per batch
m/z	metabolite	KEGG_ID	M129_timecourse_6h_3	M129_timecourse_24h_3	M129_timecourse_48h_3	M129_timecourse_96h_3	24h_timecourse_4	48h_timecourse_4	6h_timecourse_4	TF173_MPN303_5	TF178_MPN250_5	TF187_MPN674_5	Tn051_MPN051_5	Tn674_N/A_5	WT_WT_5	dldh,NoxE_N/A_5	AA_perturbation_6	Fe_perturbation_6	Glu_perturbation_6	Gly_perturbation_6	KO51_mutant_6	Ox_perturbation_6	TF173_mutant_6	TF183_mutant_6	TF414_mutant_6	TF462_mutant_6	TF463_mutant_6	Tn674_mutant_6	blank_control_7	Gly_ctrl_perturbation_7	TF173_mutant_7	TF178_mutant_7	TF184_mutant_7	TF187_mutant_7	TF413_mutant_7	TF462_mutant_7	TF463_mutant_7	Tn051_Gly_perturbation_7	Tn674_mutant_7	WT_perturbation_7	WT_noGluc_perturbation_7	water_control_7
59.015	Acetate [-H(+)]	cpd:C00033	-0.38309088349117776	-0.24502827641689928	-0.4215271813109894	-0.4818393537021034	-0.01947578110400312	-0.12388788971801633	0.05882502088091938	0.059102879542463876	-0.10536150985152733	0.031436907813676106	0.021605983530742556	-0.03067087434531776	0.09274432005739001	-0.028755125601739696	-0.0403007057865455	-0.06927937544596593	-0.167564042898101	0.01910405329435474	-0.10031271787098449	0.04205588204545683	0.030585652286198077	0.04033957441728828	-0.013343297208889495	-0.017391731631137695	-0.03643772250293227	-0.07904757487908166	0.0625642805490718	-0.007906452819794484	-0.01440594166677624	0.011525410493217064	0.04748193877973946	0.10435391638349	-0.012816696834782775	0.003233746514214743	0.03874313777471085	-0.06785373039562223	0.039218010391003144	0.058099334478775834	-0.3305592946743406	-0.05061857063717055
74.026	Glycine [-H(+)]	cpd:C00037	0.1820370485946288	0.12866076673213317	0.19106610722035278	0.054437624855208325	-0.01525459017112366	-0.020371958704962365	0.02437656509844275	-0.031399810925419006	0.016373006212227228	-0.007601395443010596	0.019196790642003424	-0.038057827844730954	0.002435641570153449	-0.03373135004110623	0.5393785522965779	0.06001489057303865	-0.05383681341398171	-0.02381991957220906	0.00781867823499112	0.020019046380948206	0.029891213385372695	0.017830613191131488	-0.03879759631641364	-0.037953968844946874	-0.03307017453188319	-0.004211147248307496	-0.049206137824010766	0.016592654611596272	-0.04316611178707787	0.030651607656958513	0.03888693260683889	0.04345943632194562	-0.0023607580919546792	0.03918816324014978	-0.0051843497623533675	-0.0295454172308	0.061941909786680786	-0.007875746436498519	-0.10928498135786903	-0.12275864589650202
87.007	Pyruvate [-H(+)]	cpd:C00022	-0.05566462229705214	0.4373519696639668	0.3688805074484839	0.5232352761205669	0.14520993436678092	-0.13444146454785744	0.10942021803801302	-0.038339629611253964	0.07615552993464432	0.0468947622189645	-0.03040069355903066	0.015066991615010007	0.04783146549143492	0.01614378531383446	-0.09402316903570299	0.15819648841734085	-0.175215839722713	-0.06239134794591071	-0.24423338258334948	-0.20354198346099944	0.10114490438905065	0.07569837196261492	0.07224210108547233	0.13721825632168894	0.09636861356933546	-0.011088200225988915	-0.002457190521589193	0.03971466399624825	-0.08212762943947473	-0.008050189151970078	0.05319565302395783	0.07089459226713389	-0.07239233692620627	-0.002978534026689674	0.05968321921317214	-0.06419016679234643	-0.003470110333048138	0.048174396688957684	-0.10007281185921035	0.2309583682827666
88.041	L-Alanine [-H(+)]	cpd:C00041	0.0923174760368027	0.0870929440394207	0.04336355669904195	0.08952728189735192	0.018628206440604193	-0.00554261393826106	0.00399124754819747	0.018043822291201116	-0.06759280017121314	0.024121514334668616	-0.007749606111085432	-0.06545557607338925	0.0738275636515004	-0.026352543261318417	-0.014724061407655892	0.004143696523339653	-0.02629243670384835	0.05370179695408366	-0.011448599420759086	-0.007401135221053821	-0.0049889382373305945	-0.003987019979759356	-0.0126254470756514	0.006236600726531622	0.008200753478620156	-0.021421804154227668	-0.005942320186564538	0.00592846139824815	-0.006917602774163594	0.0043026515486138395	0.0012138804573009556	0.009572069374902029	0.013722737514408162	0.0051038422256878225	0.021365048438343158	-0.010283909284438753	0.0023657705929193986	0.007824027579092466	-0.023041656896429064	-0.0068692878000148816
89.026	Glycerone [-H(+)]	cpd:C00184;(S)-Lactate [-H(+)];D-Glyceraldehyde [-H(+)];cpd:C00577;cpd:C00186	0.6451405491756192	0.46684834047876606	0.40946005052795253	0.6630036931445182	-0.0023139223432213953	0.06552242158687789	-0.038782428018959404	0.038735110345882465	-0.0466640277363345	0.03115075454144904	-0.011421285089509384	-0.035857972577101535	0.08960432145884256	-0.019142295895986854	0.01808812955044084	0.059438297488711864	-0.1323212439517691	0.044101554339212555	-0.06765222481763432	-0.05148304553647589	-0.054405058837100555	-0.05368516749857306	-0.044716243987479226	0.05012569657982341	0.006737415036471685	-0.06783317550596822	-0.00741093614538863	0.08564386951993767	-0.07031555698131513	-0.0019470021807774325	0.08578271299382927	0.0480736000792192	0.011441231132804796	0.020600569360630237	0.05182694247294942	-0.11406987642642859	0.05011742898727205	0.05215323146167311	-0.127622592901674	-0.07116467136623623
91.04	Glycerol [-H(+)]	cpd:C00116	-0.23671045507097957	-0.17052884612055363	-0.16326430848061846	-0.08060323344433973	0	0	0	0	0	0	0	0	0	0	0.19423658299465058	0.0021383505841913023	-0.0757068343886088	1.290427318065046	-0.20736489523851515	-0.08610820303524848	-0.023313525282210795	6.840103288701342E-4	0.024180335266489817	0.014625370363436682	0.10458557067161485	0.055721764906836654	0.046558789484867164	0.9991159859431891	-0.09188726792292401	-0.007465447183584272	0.01737246653405341	0.027949817843224024	-0.0749472876230555	0.006166523270665844	-0.01640840683204704	0.35344338241950574	0.13142370051300578	0.055497456707197676	-0.10865687262894534	0.18327224929779978
94.03	Glycine [+F(-)]	cpd:C00037	0	0	0	0	0	0	0	-0.00383030060000823	-0.14233804581635728	0.040282661269681296	0.035047845842384816	-0.04820251643966124	0.12316391408340151	0.04360468068313973	0.019453864279372162	-0.01674501076138955	-0.040439399544263545	0.07939177816538832	-0.04097626357414381	0.12106444382335137	0.007242339479869909	0.07005958955560251	1.39464446985119E-4	-0.029875745986108402	-0.004797252289000055	-0.006006361069338777	0.061576960145997436	-0.2188411112848714	-0.15173478620425085	0.08836006680685222	0.1296307271252848	0.19867883204734413	-0.12613078089175353	0.102670877571952	-0.07526061873114678	-0.1977071266512028	-0.06682928349184389	0.020628054109472594	-0.3735460505897582	0.008020825968600995
96.97	Orthophosphate [-H(+)]	cpd:C00009	-0.3752026202021494	-0.30002306184674715	-0.26050178464456597	-0.17239926470188094	0	0	0	0	0	0	0	0	0	0	0.037215801531227895	0.019969854910825487	-0.0774630175181559	-0.055187623819554374	-0.16281003188864349	-0.038131722387840246	0.05101535753977061	0.05022931644194948	-0.010593458545131112	-1.242694112036108E-4	0.009564180764276892	0.022613419407864415	0	0	0	0	0	0	0	0	0	0	0	0	0	0
104.036	L-Serine [-H(+)]	cpd:C00065	0.26899926700215837	0.19300571453498758	0.11547035318885523	0.06025090979078353	-0.013316956871460743	-0.0403223726447622	0.05541925884872697	0.03859707188317326	0.003287148976482222	-0.009228836126476223	-0.015179128176508634	-0.04787791169112804	0.02098789988673202	-0.023264371703376134	0.3170736937728201	0.06398576795415495	0.012399309628339177	-0.006046327308175055	0.006201910639725701	-0.08730332051336955	-0.014206098513585617	-0.022123509075721085	0.01878820650074547	0.026095144708275345	0.015545140148393703	0.03275033990523418	-0.058433060981064634	-0.016049734896215726	0.0030546470508864905	0.017313152735647007	0.04091902114701149	0.016701576962254754	0.043206810066094226	-5.881612925835405E-4	0.052191917266785806	-0.013529361524139449	-0.040251315911953925	0.0075200200955937565	-0.10764118032473144	-0.17823165256684995
107.013	Pyruvate [+F(-)]	cpd:C00022	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.062484019731432694	-0.01356031511791883	-0.027153553292911563	-0.01891120254672787	0.036857859373257404	0.03879828924161005	-0.005651937060960027	-0.01890127595007563	0.005485986191196727	-0.052607229782415416	0.0014075950157797772	0.027961483101453924	-0.12946092848314392	0.08038650134403923
108.046	L-Alanine [+F(-)]	cpd:C00041	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.046723749397948156	0.0056963395452907266	-0.0016479572733059473	0.03791219690822234	-0.11098975649065361	0.05563655468681694	0.0218821791211557	0.04396892161789024	0.0221859171745367	-0.026988467553475375	0.04086871077698685	0.009719655914946388	0.04104017876268718	-0.006071725963781789	-0.11202728295538902	0.027265646914539362	0.03288091360075165	0.06788656840085971	-0.12957436952015358	0.03066859662264244	-0.021394888969701	-0.07047643735527946	-0.10547726292284137	0.042051473598744275	-0.1317159845434476	0.2144178610800149
109.03	Glycerone [+F(-)]	cpd:C00184	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.01569813727848772	-0.005312322932603723	-0.01499604427738048	-0.06463802355125103	-0.11904846262404772	-0.05865137935264147	0.10403387233373483	0.04812735867931382	-3.741146655007508E-4	-0.023060908435980895	-0.007125709844818304	6.617047524347749E-4	0.006237936850705556	0.06540018987872799	-0.09035672979978691	-0.004423513651711029	0.023736623243260813	0.05891968842951113	-0.0905670866741552	0.005066727283051604	0.0029198952152538907	-0.07345009526149995	-0.015747773968233462	0.051403200118260245	-0.11964569605244281	0.2150489593900066
111.02	Uracil [-H(+)]	cpd:C00106	-0.008591689055397317	0.100894608900751	0.018504968651410676	0.045570103014479516	0.02281098453835196	0.027972217307591408	-0.0366324436642315	-0.032502773462675494	-0.0348197881150635	0.06903572016005868	0.040883165212258	0.010040867415727203	-0.012645755515423655	0.057212762863759425	0.028542566998134702	0.060570232412026886	-0.06831084519717455	-0.05080837851379499	-0.06600011740491883	-0.05900989235225978	0.008269574169561603	-0.023605962273666323	-0.034119938553782855	0.01733512333651295	-0.0028832143857217374	-2.979120393676237E-4	-0.002417067192922251	0.026861265086183885	-0.05665534255477308	-0.0013208315789371018	0.01193582346389194	-0.011013581733481307	-0.0040506328781112376	-0.025791902167029413	0.03084467836125246	-0.015429232013971398	0.006088716093100994	0.03930980193961798	0.005850634069583566	0.1355732194723211
111.045	Glycerol [+F(-)]	cpd:C00116	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.027552156042260707	0.0801825983939512	-0.10234240529343977	0.0027039069470936655	0.011153446917208983	0.04725955827442039	-0.09408877620025967	0.001979528363820625	0.01206028162592282	-0.055854255637476063	-0.03939241361928167	0.0417604388650266	-0.1214419649756724	0.23512802102109906
114.056	L-Proline [-H(+)]	cpd:C00148	0.22547182372874341	0.047143151920608466	0.10632590198059991	0.059218680813056916	0.006006843525114062	0.05424929395236766	-0.05365112264381465	0.04362724748543263	-0.07246989833076257	-0.029732718429125667	0.009482522835973244	-0.1042978708196855	0.01322515449553594	-0.030301337599758678	-0.015099704949507674	-0.18612002839259995	0.22331745292946417	0.0044993818348873695	0.058334727627838284	-0.09563789133362509	0.05157740379805321	0.12660711384618614	0.07286240490933593	-0.02284286333711198	0.03507516466593899	-0.07468365452176703	-0.1826921699372189	-0.04958636263108392	0.0018805862509659718	0.018128965848447854	0.003790127761120945	0.028848394555223502	0.05303365410577023	-0.021133604283116957	-0.00421493274236593	-0.02821422500989728	-0.044852725980096673	-0.004050213655191078	-0.0356797719659977	0.06699397137211774
116.072	L-Valine [-H(+)]	cpd:C00183	0.028879064743616803	0.03254425418880261	0.045681657429235314	0.042319657394168084	-0.004655052426576442	0.017408408072806757	-0.027331562719475483	0.015491539312316888	-0.01571045908548807	-0.0037678882595437303	0.00978109587761365	-0.0012208919672829547	-0.012820923938275398	0.013456870035527065	-0.00972125297251104	-0.003910665009370678	8.482903176380919E-4	0.04568774303989157	0.012890010543964261	0.023893576877109836	-0.0023440486362703277	0.005145076623619937	-0.016994101999587913	0.00954018421551352	-0.012866533333974061	-0.00789168011694135	-0.028628814267902664	0.006609575626865611	-0.03252765671003147	0.001579416861262364	0.002737892938959789	-0.013140593940924703	-0.007868484405998641	0.006371689120097635	7.995889693733274E-4	-0.012186462345630816	0.017057341295463532	0.00940400157373748	0.008283109756629325	0.017722355790255016
116.973	Orthophosphate [+F(-)]	cpd:C00009	0	0	0	0	0	0	0	0.024844863585704993	-0.009068428167990182	-0.00990086537828344	-0.012909216398842056	0.07129096088454219	-2.260963337708479E-4	0.019764955193281853	0.004418631967072384	0.013033493987888976	-0.12713248647127104	0.03519911152071774	-0.13760784548232	0.02511962679011733	0.05320064935849998	-0.01743458091481499	0.03735776071917217	0.09005774068710651	-0.06318402371402326	0.05223259254963246	0.002071993137630994	-0.0619714075878221	-0.03762835437158475	-0.019779105985491624	0.055805936650117384	0.05793810932722855	0.09236986971472533	0.10335732909613309	0.07151902064001958	-0.02298706665422556	-0.05533474501238327	0.06993983011569808	1.6013382916375715E-5	-0.23222522740601906
118.051	L-Threonine [-H(+)]	cpd:C00188	0.2610574104842151	0.14163385138074347	0.14349097312674808	0.03604835854816565	-0.0024520299211184967	-6.13250831243474E-5	0.04846178131301517	0.017661417567658377	0.0017666053801077802	0.002429700551135275	-0.008286569285745626	-0.019930254198747534	0.016493473576997143	-0.0032719976300106353	0.05241919934777003	0.03659005433600773	-0.009945333334334547	0.00797240700637414	0.019192868129632647	-0.027389306273986197	-0.01421578340830017	0.009907267145248054	0.038175263021288354	0.011791732194494645	0.0159639512013139	0.025201571731101456	-0.0302932221405414	-0.03169021908849451	0.0030961324163669294	0.005756446457844455	0.027027355504220647	0.03153570803828322	0.021289333615570647	0.01406968916403605	0.02456165236444402	-0.013344559718703467	-0.02652225422324249	0.0022962524257639444	-0.10387630899683861	-0.11760857733963229
120.012	L-Cysteine [-H(+)]	cpd:C00097	-0.16738045282504532	-0.08302635736348256	-0.0282033026740657	-0.11198522234445929	0	0	0	0	0	0	0	0	0	0	-0.20912539057441518	-0.15895447208712937	-0.10930891554633347	-0.15235244056035926	-0.26376159743363925	-0.11285482813214731	-0.10637682649815673	0.09205650157708332	-0.051340871608603955	0.008464564594914202	-0.0420244385615308	-0.15828050415763037	0	0	0	0	0	0	0	0	0	0	0	0	0	0
122.025	Nicotinate [-H(+)]	cpd:C00253	-0.16837486640449537	-0.0689391692402913	-0.10852907537003513	-0.07095127411080605	0.012735193085318869	0.006953022192063903	-0.054173220467485725	0.019549329434098307	-0.029315006191897912	0.08092093803346037	-0.001109831037783922	-0.03979090137418687	0.07957959851709558	0.05271653785068935	-0.03062991839570991	-0.011258442892156125	-0.05188883941404623	-0.005965428290126751	-0.11139214261442393	-0.005561937296892288	-0.009637010868094655	0.07720925722612733	0.025150274240793438	0.005565461928588423	0.038278383522677345	0.010700820921825794	-0.003330578544689202	-0.13487160704343285	-0.130140806149002	0.03790394998451696	0.09006522984973347	0.1406801118808723	-0.07737865500208824	0.08855789501454153	-0.011677154179134864	-0.1452212842107951	-0.0384406334860888	0.013749195373724234	-0.27878063044472806	0.11470618549530119
124.04	L-Serine [+F(-)]	cpd:C00065	0	0	0	0	0.024634036981683257	0.009942324356295013	-0.05649844961295563	0	0	0	0	0	0	0	0.043160716997216464	-0.02464201147125043	-0.06536606545053349	0.11242371409907019	-0.043641596002963676	0.16030578636926887	-0.031203477367685164	0.010229233164054816	-0.026354109032481192	0.007117021280856682	-0.005082305583260166	-0.05585309473795543	0.03350636800865063	-0.14091857577940223	-0.1467633313562342	0.04720448447958956	0.09969430965850157	0.15014619636315382	-0.14351949105911968	0.08980314625498519	-0.06885233472176662	-0.1641979486257732	-0.10514156069768407	0.008544254433738324	-0.27381533441674	0.0846515261233737
125.036	Thymine [-H(+)]	cpd:C00178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.16764098592767407	0.028234702974493653	-0.08612404682721644	-0.04136474907270561	-0.10407275231403583	-0.03555978102050192	0.034551622489556316	0.05257932287409811	0.008772791285336498	0.02737811572708037	0.02654533544113544	-0.015594830758323899	0	0	0	0	0	0	0	0	0	0	0	0	0	0
130.087	L-Leucine [-H(+)]	cpd:C00123	-0.011682594363140519	-0.010181819019048705	8.628387062331938E-4	0.01926902718117942	-0.0014941843853066958	0.028146959918624447	-0.004760241946679146	-0.009310391244179263	-3.7181734405064803E-4	0.007043788421534881	0.009747912123059201	0.014943303565827432	-0.014688139247177429	0.02404429420730686	-0.0059755826907013756	2.8083830672141535E-4	-0.018921760543786876	0.021339877859359403	0.016088316765449112	0.0283385109098476	-0.008438516033701975	-0.005021495047018309	-0.0026065474878257276	-0.007340129104834998	-0.006250150077792705	0.005364595372380754	-4.8329824761026157E-4	0.010119449304218393	-0.0107412809904166	-0.006865634272582784	-0.004471594414534794	-0.009845165617058286	-0.013354123282666091	0.010613609959314789	-0.00436125964744232	-7.124960525343664E-4	0.013974814493468988	0.007652338388529438	0.01739781967084802	0.02754021243222279
131.045	L-Asparagine [-H(+)]	cpd:C00152	0.07008239724769655	0.15986260295544646	0.043717610556694764	-0.026120481672105057	0.0023031167609967444	-0.07171632472547577	0.03589103144888398	-0.04391215268602359	-0.020686223301319282	5.924899303026172E-4	0.019334876095569564	0.006409292110546368	0.01684348977685708	0.026423099870533536	0.6332811034923368	0.1478856608027756	-0.045375108445241216	-0.0315607251848087	-0.07137489643301397	-0.010409868946513285	0.04513030012528435	-0.003317096537100573	0.03118000218281995	0.05839069844461341	0.035597212257760864	0.05808110909678767	0.03455334514306195	0.029864216464005087	-0.003327002476101585	9.88501615067747E-4	0.009474959537816957	0.010572747808054608	0.002465785934302628	-0.009842030796222444	0.06256254740035481	-8.770480272221151E-5	-0.032607143859275545	0.029415596787706284	-0.06405310208176786	-0.015816270705481146
131.082	L-Ornithine [-H(+)]	cpd:C00077	0.38830473878359795	0.4510912385980067	0.4670770176906303	0.30035215716541597	0.023292096660712965	0.009687989074764996	0.011950228389021966	-0.00949116161503947	0.0694205632568731	0.03564276007651343	-0.023510095376699715	0.03729049457197684	-0.041799573015186206	8.741003009131386E-5	0.023781761722046577	0.0016170942099235583	-0.03226877035439857	-0.078683080881442	-0.08434251280683645	-0.034561893894507444	0.04887557364934506	0.027715304031317497	-0.007517809389596574	0.018962307887680278	0.00466274795364137	-0.004727927854953067	0.13269622666561334	0.056838108627684944	0.03118113999006299	0.07267704435125207	-0.02568509404907195	0.0016763395913813345	0.02397352417417772	-0.06870579625890307	0.019564220903493	0.03730424470558084	-0.04784985877170564	0.007692754326603206	-0.06910908749589961	-0.26382381617883716
132.03	L-Aspartate [-H(+)]	cpd:C00049	0.2762173393979615	0.06592647373603398	0.17761247677314573	0.11297594485898357	0.03224523278316319	0.07664162541563917	-0.08363892175344746	0.05226778177613987	-0.059208024441052276	-0.04143771870653515	-0.023470719018885162	-0.11610100273322863	0.08275941448750102	-0.04760594356850159	0.011095404891757185	-0.03241653860093154	0.025726789662078836	-0.03491542395476679	-0.04704691598635453	-0.060654422385829895	0.05918525756946533	0.057375918074084035	0.04580499059790901	0.019045686884968896	0.0701532161857759	-0.014969564547176134	-0.14466912721454875	-0.014035904233228293	0.00604992573592035	0.0212714832927863	-0.0027295903574030616	0.04505429087488098	0.06716105965836515	-0.0145219250243451	0.025244942949373537	-0.04324231347864037	-0.05891177775898659	-0.015430181545719181	-0.04520803817318918	-0.17362091337470567
134.029	L-Homocysteine [-H(+)]	cpd:C00155	0.042764969978616355	-0.030857057472765778	-0.06318838539987218	0.04421886659319957	0	0	0	-0.03072446224974413	-0.09162212419639598	0.0465146614023706	0.0033512949045782954	-0.031088539218331865	0.06100904796946566	0.06339457707755275	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
134.047	Adenine [-H(+)]	cpd:C00147	0.10031534899707645	0.09285215744945921	0.13919724235363476	0.13730401614022264	-0.0028425108183566562	0.04993135231822836	-0.03304116397624411	0.006859379908489449	-0.027817712185770872	1.9974128477186862E-5	-0.0743502160709541	-0.024454136879170703	0.02531668927978697	0.010399137295437542	0.31725191290434174	0.33066335932235114	0.36937709226732185	0.23620351403573653	-0.2604728870028023	0.23893804960253703	0.3505330567013565	0.36282986195823075	0.3325082656607434	0.34362321461002876	0.3451173643326155	0.3579930228671068	-0.09146377520049233	-0.019178596735224658	0.018950464137339515	0.002008980574921631	-0.016367642386226334	-0.03716299006439693	0.05474680022304726	-0.022736727035421046	0.020028229349587756	-0.021074128202443483	-0.04480260664680663	0.01427884421487961	0.04061625174909401	0.01913737215601949
134.061	L-Proline [+F(-)]	cpd:C00148	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.07266620574109152	0.061553844125356125	0.020453763452203455	-0.015774096856223916	-0.19272947936522594	0.12331175114850493	0.08455738708028676	0.07023725604915382	0.05679876044427214	0.07278405146424743	0.06580677206619764	0.06491858330885737	0	0	0	0	0	0	0	0	0	0	0	0	0	0
136.077	L-Valine [+F(-)]	cpd:C00183	0	0	0	0	0.026974925813710474	0.06597091672906635	-0.0701851955061929	-0.12554213048978513	-0.06736793944235915	-0.030307046151809215	0.05398450666402468	-0.03419958551204352	-0.030107494484826438	0.06106109482528312	0	0	0	0	0	0	0	0	0	0	0	0	0.026042252111083967	0.02681544724762042	-0.07043674251650565	0.007002524243732692	0.003650384217573804	9.395573968123115E-4	-0.0948491417689027	-0.013899671314494669	-0.018008364041793973	-0.047282448073217825	-0.07522734885312175	0.04295846204845384	-0.05878495107450451	0.15238253149971928
138.056	L-Threonine [+F(-)]	cpd:C00188	0	0	0	0	0.015198343370842169	0.03266110938574472	-0.12964193727251958	-0.06580129636832141	-0.07576665037459977	-0.009858818208156527	0.06604991349933485	-0.00711652944392844	-0.004887248096237661	0.06358510716376328	0.007737740916691757	0.031199196480343985	-0.05869742448460059	-0.015410962416377072	-0.10565897071298608	-0.006187641735777976	0.03577727154783781	0.059033504147481236	0.010175355724821391	0.014566405588524348	0.033956109335233166	0.012383718546096096	0.03259071417984969	0.0034565037668517293	-0.07417027323830008	0.01766136027348414	0.018363081642010563	0.027060905997497074	-0.07203022705576063	-0.009456473397110128	-7.774880728379369E-4	-0.0516472364776821	-0.06279595541846714	0.04477162227344661	-0.11741666761780052	0.20173724524712836
138.98	Acetyl phosphate [-H(+)]	cpd:C00227	-0.09619725854108178	-0.10063887488292136	-0.028804139024749056	-0.1286759971162915	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
139.975	Carbamoyl phosphate [-H(+)]	cpd:C00169	0	0	0	0	0	0	0	-0.034087436513994256	-0.08919745025434078	0.02311494731645373	0.04372383857377108	-0.011947011315877724	0.08534550096726409	0.06139785722071139	0	0	0	0	0	0	0	0	0	0	0	0	0.032129705044095645	-0.030105680764393804	-0.06194054333472401	0.025532659402877727	0.016764878418274835	0.02219833255637629	0.039844965183048225	-0.03444851972839645	0.03516986095816871	-0.08352356154193791	-0.02926375245594139	0.006247228969125183	-0.025106643898209328	0.3628776224030005
145.041	Thymine [+F(-)]	cpd:C00178	0	0	0	0	0.0024119776661148174	0.06114076797298572	-0.15200091800495594	-0.07075294975218555	-0.0318927554510355	-0.019967060565591374	0.05488457439227621	-0.018958795695257227	-0.012340239287213391	0.05125186559240682	0.11476118015363987	0.04376576743679679	0.013802261334629891	-0.0662050534425942	-0.17281136840232744	-0.08619888939267661	0.0099128315502061	0.10196842796715098	0.04366328414395879	0.03669425890630191	0.056861201050489675	0.00700725524447458	0.02674710473432213	0.0436919494092246	-0.06069905897354558	-0.004933685643075518	0.001361913257337196	0.03190399260929731	-0.12404615498486342	0.0066379510045653	-0.004426990825987324	-0.04237108410853659	-0.08043090015147528	0.05010265907312805	-0.10788361608392055	0.18520523835795463
145.062	L-Glutamine [-H(+)]	cpd:C00064	0.0481276829788051	0.16960418224508822	0.16629311930292937	0.09146752018479005	0.011354120342790097	-0.03898011143558781	0.01920371825852314	-0.06895395812582056	0.07154480483457419	-0.06529755114547314	-0.01905208813897176	0.035167309022664545	-0.06221955078394777	-4.865665685901148E-4	0.3382741539865364	0.09870828331173623	-0.11858534653953809	-0.09279889379814239	-0.03084588424890579	-0.053015910932959195	-0.003712968888786868	-0.071362792638711	-0.02062450174322976	0.03130612727597587	0.019822080435293193	0.020679562350152194	-0.044480947917397325	0.08872008284957233	-0.012049345738670919	-0.03828911003986559	-0.006959339537694012	-0.08906324605579216	0.047912105239176904	0.022048857509806716	0.10535137495415137	0.06761583874055294	0.02820475116036273	0.00593928271040171	0.03636842747553356	-0.24676535141594014
145.098	L-Lysine [-H(+)]	cpd:C00047	0.5647494890722594	0.5815275524068888	0.5759280593536467	0.41459393692458685	0.005140097693206678	-0.014924460472546808	-0.03351785452152692	-5.922812239312447E-4	0.13689970455154005	0.03454676131779152	-0.05635941777118657	0.04616735531362388	-0.04058728422774144	-0.023938119228453143	0.020901471368270013	0.022729155655743672	-0.0107521249801396	-0.045180043649366106	-0.003443331504618438	-0.010319322755846945	-0.005661170847870194	-0.02111582925039181	6.916050309158854E-4	0.016117865182935138	-3.2418220200639903E-4	-0.004372356573986577	0.1340304541568717	0.061193087179308776	0.04247420679400363	0.07294452292126814	-0.04161616141483098	-0.008312149193084498	0.04625720130849443	-0.08481752940955159	0.019048835963540806	0.04537875749762391	-0.03250647938082044	-0.01090114122996831	-0.05291747358904354	-0.3749872721982108
146.046	L-Glutamate [-H(+)]	cpd:C00025	0.15519996943894765	-0.008866051479880519	0.06581419817011289	0.05511094664213781	-0.00613933609228159	0.0742597507829606	-0.07810604694184255	0.030378317520203837	-0.043364036075271596	-0.034209971692774	-0.02850203287623247	-0.10756178165543283	0.05150255129977411	-0.07047114937710647	0.01889462630814781	-0.010263041836318019	0.004958040385630973	-0.050405136863166354	-0.014925341091411755	-0.05001262124499619	0.04162611848479996	0.045139202761688625	0.041934639429128784	0.001228642917850204	0.06041814988317092	-0.013851744897944286	-0.07414181354993161	-0.05385042417473947	0.038010709150272506	0.01368308604246008	-0.0034605707069632775	0.048826859018314565	0.06069413327674056	-0.026359606884942266	0.025325253309842585	-0.031032928764778776	-0.10191169515347892	-0.015386134170995013	-0.02863300506606986	-0.17764133774873098
148.043	L-Methionine [-H(+)]	cpd:C00073	-0.035955437486518846	-0.018178786515133737	-0.002440978638021315	4.210290262268637E-4	0.006973813390774312	-0.04038785721820448	0.015617388990774379	-0.01578567806638436	-0.01056478868191719	0.00633408514212881	0.03651822780375983	-0.011023218955820398	0.058504205045942635	-0.0025468532539625363	-7.234186958922252E-5	0.013526164879795795	-0.02516374821982429	-0.06906798172303819	0.03193625805316526	-0.6810103015614315	-0.011897103337071176	-0.023675684206429123	-0.004713924854728493	0.007788314822970233	-0.0021485375589501967	-0.006484829060027839	0.019883626720835372	-0.03906199310250646	-0.035753906970965595	0.025044739982061925	0.044246201829310966	0.06450147306896545	-0.02577992374813463	0.031533478745262675	-0.007586954528761981	-0.04621893852040581	0.017262917950998585	0.016277486092484243	-0.10656709816169407	-0.008129855265928214

# Fold change values corrected per batch, below absolute values based on 24h reference, used as input for automated SS simulations using sampling
					SampleID	WT_WT_5	blank_control_7	WT_perturbation_7	water_control_7	TF173_MPN303_5	TF178_MPN250_5	TF187_MPN674_5	Tn051_MPN051_5	Tn674_N/A_5	dLDH,NoxE_N/A_5	KO51_mutant_6	TF173_mutant_6	TF183_mutant_6	TF414_mutant_6	TF462_mutant_6	TF463_mutant_6	Tn674_mutant_6	TF173_mutant_7	TF178_mutant_7	TF184_mutant_7	Tn674_mutant_7	TF413_mutant_7	TF462_mutant_7	TF463_mutant_7	TF187_mutant_7	Tn051_Gly_perturbation_7	AA_perturbation_6	Fe_perturbation_6	Glu_perturbation_6	Gly_perturbation_6	Ox_perturbation_6	Gly_ctrl_perturbation_7	WT_noGluc_perturbation_7	6h_timecourse_4	24h_timecourse_4	48h_timecourse_4	M129_timecourse_6h_3	M129_timecourse_24h_3	M129_timecourse_48h_3	M129_timecourse_96h_3
					Batch	7	7	7	7	5	5	5	5	5	5	6	6	6	6	6	6	6	7	7	7	7	7	7	7	7	7	6	6	6	6	6	7	7	4	4	4	3	3	3	3
					Washed	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
					Description	WT_WT_5	blank_control_7	WT_perturbation_7	water_control_7	MPN303-OE_5	MPN250-OE_5	MPN674-OE_5	MPN051-KO_5	MPN674-KO_5	MPN674-KO, NoxE OE_5	MPN674-KO, NoxE OE_6	MPN303-OE_6	MPN606-OE_6	MPN430-OE_6	MPN025-OE_6	MPN302-OE_6	MPN674-KO_6	MPN303-OE_7	MPN250-OE_7	MPN627-OE_7	MPN674-OE_7	MPN051-OE_7	MPN025-OE_7	MPN302-OE_7	MPN674-OE_7	Tn051_Gly_perturbation_7	AA_perturbation_6	Fe_perturbation_6	Glu_perturbation_6	Gly_perturbation_6	Ox_perturbation_6	Gly_ctrl_perturbation_7	WT_noGluc_perturbation_7	6h_timecourse_4	24h_timecourse_4	48h_timecourse_4	M129_timecourse_6h_3	M129_timecourse_24h_3	M129_timecourse_48h_3	M129_timecourse_96h_3
					Growth conditions	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), aerated	adherent (attached to the bottom of the flask), aerated	adherent (attached to the bottom of the flask), aerated	adherent (attached to the bottom of the flask), aerated
					Time	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	6	24	48	6	24	48	96
				ExperimentType	control	control	control	control	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant, perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	timecourse	timecourse	timecourse	timecourse, perturbation	timecourse, perturbation	timecourse, perturbation	timecourse, perturbation
					Genes	0	0	0	0	pyk	pgi	ldh	glpD	ldh	0	0	pyk	eno	gap	tsr	pfkA	ldh	pyk	pgi	ptsI	ldh	glpD	tsr	pfkA	ldh	glpD	0	0	0	0	0		0		0	0
					Est. FC	0	0	0	0	1.291214505	1.4085032795	1.26939831	NA	0	0	1	1.291214505	0.549999999999999	0.27	0.48	3.4236509485	0	1.291214505	1.4085032795	1.7384333675	1.26939831	4.03464644	0.48	3.4236509485	1.26939831	NA	0	0	0	0	0		0		0	0
					Effected par	0	0	0	0	re07_PYK	re02_PGI	re08_LDH	glpD	re08_LDH	re08_LDH	re08_LDH	re07_PYK	re06_ENO	re06_ENO	re04_FBA	re03_PFK	re08_LDH	re07_PYK	re02_PGI	ptsI	re08_LDH	glpD	re04_FBA	re03_PFK	re08_LDH	glpD	0	0	0	0	0		0		0	0
	KEGG ID DATA	KEGG ID Model	Metabolite		ParNewValue	0:0	0:0	0:0	0:0	re07_PYK:1.291214505	re02_PGI:1.4085032795	re08_LDH:1.26939831	glpD:NA	re08_LDH:0	re08_LDH:0	re08_LDH:1	re07_PYK:1.291214505	re06_ENO:0.549999999999999	re06_ENO:0.27	re04_FBA:0.48	re03_PFK:3.4236509485	re08_LDH:0	re07_PYK:1.291214505	re02_PGI:1.4085032795	ptsI:1.7384333675	re08_LDH:1.26939831	glpD:4.03464644	re04_FBA:0.48	re03_PFK:3.4236509485	re08_LDH:1.26939831	glpD:NA	0:0	0:0	0:0	0:0	0:0		0:0		0:0	0:0
	cpd:C00024	cpd:C00024	AcCoA	Acetyl-CoA [-H(+)]	0.01438149983680856	1.2932764123507288	0.6207885632176188	0.9910540948277134	0.7785713846071283	1.2086147607210296	0.0925548890778091	0.9289083862837766	1.2479741074109967	0.431905925170014	0.9353816570168844	1	1	1	1	1	1	1	0.96403282971864	0.8833221942425261	0.9126591175776485	0.9531165383911537	1.2923917688596351	0.9547712955202295	1.2444354448562391	1.0442838458343402	1.0777036637171273	1	1	1	1	1	0.8552478172870004	0.8865258685757404	1	1	1	1.0850155596643312	1.2344801499914133	1.5473222955946508	1.2810564162389897
	cpd:C00033	cpd:C00033	ACE	Acetate [-H(+)]	0.87378	1.2380674908668747	1.154952918276792	1.1431397707801667	0.8899824227431168	1.1457843328906872	0.7845822707880752	1.0750704080567381	1.0510079074411252	0.9318137735433951	0.9359332458747276	0.7937564770008588	1.0729652389738658	1.0973358666007702	0.9697431103555777	0.9607452995824489	0.9195223241493222	0.833589863843349	0.9673732150584232	1.0268935132679728	1.1155317582130444	1.0945056565246152	0.9709196779470484	1.0074737667335838	1.0933095402184903	1.2716099467556208	0.8553547463253761	0.9113795810145321	0.852551503357438	0.6798857787829208	1.0449705553605604	1.1016810572099287	0.981959434640156	0.4671331686436608	1.1450515023070658	0.9561460140375926	0.7518169456012357	0.41391304742582036	0.5688158946859657	0.37885482151304395	0.32973165794624637
	cpd:C00008	cpd:C00008	ADP	ADP [-H(+)]	0.5230327376535936	1.5325047635247278	0.1376030380922717	1.126969343527768	0.5593406389622415	1.3969204006797298	0.9295410930179658	0.9267495967601704	0.6310401313739987	0.8122862194295644	1.3607529336099347	0.7869167946062813	1.5064369866925733	1.9110029055798297	1.5261087557333572	1.0712254559581413	1.3578345624625574	0.9606489887513181	1.0597403276226423	1.092688669192182	0.9799303125537122	0.7541088381332228	1.4230261186039581	1.0380474616596684	1.2029517360824644	1.2167713188906986	0.8387961188443237	1.1280410278853974	0.6987045335183695	2.7066285684341302	1.012914010372018	0.1336756267664963	0.9214129715681281	1.233837360949184	0.6636539510169083	0.9813118355623712	1.7810646771662655	1.3045428421362588	0.6939759366190504	1.1893643989835918	1.1841558699919403
	cpd:C00002	cpd:C00002	ATP	ATP [-H(+)]	0.056103326543856406	1.3476067368441185	0.5888198065880753	1.1606847274476217	0.9526979696543735	1.1634191286340803	0.7095379502613193	0.7508514407912404	0.6699634653361438	0.6395117686122658	0.834521995868729	0.6533826983668959	1.2571912531729919	1.6922653329197588	1.5571552563473847	1.1550153193046266	1.183549549771364	0.9231443892014788	1.1129385473142914	0.9880662198381269	0.8970910098718045	1.077079684032704	1.4094974664754285	0.9123412970234283	1.003925182382091	1.0356019511842767	0.9167881194657693	0.9749575076786353	0.7514445173124913	3.386768340261476	1.0164544604527443	0.41950033350412735	0.9464946928324283	1.0593725492475055	0.8288086724879334	0.8950929844278803	1.664575928188429	4.943009761748927	6.317714564823398	8.761565803865293	8.007447918866397
	cpd:C00010	cpd:C00010	CoA	CoA [-H(+)]	0.00423891865289675	1.2980722287115498	0.5709359025691771	1.0832579004582052	0.6235540802718936	1.0803470264614428	0.7740812737292211	1.0539374299665765	0.9579542607459615	0.6474980016235211	1.056558791194407	1	1	1	1	1	1	1	0.8636165034170068	1.156354488565598	1.2046152260545933	0.9366927378679243	1.145345991158144	1.1345952859515465	0.9422542999930029	1.5047080949638167	0.7606176271068367	1	1	1	1	1	0.6384481370585724	0.6750433846308712	1	1	1	1	1	1	1
	cpd:C00236	cpd:C00236	DGP	3-Phospho-D-glyceroyl phosphate [-H(+)]	3.0637042181931676E-4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1.0755233960552824	1.0532750479417945	0.8600482881796523	1	1	1	1
	cpd:C00085	cpd:C00085	F6P	D-Fructose 6-phosphate [-H(+)]	0.05147393842919186	1.258330139855679	0.7654723558650324	1.1690199055069168	1.3081140422024313	1.0303548895089745	0.8856340927406872	0.8758710155096049	0.8881006742967001	0.7659031367327938	0.9895740804838893	0.6814878700422817	1.2515387894968124	1.2546287865635113	1.2490839949858366	1.0868763473033571	1.1535452085237201	0.9799311910520146	0.9496224850327779	0.9703837867510279	1.1623368552997335	1.0600413899854886	1.1088844870703722	1.065248206762417	1.1896344100413665	1.2275006630629464	0.8904424235151888	0.93263421314894	0.9796552796427693	0.9599215352881635	0.7922336845316652	0.5486706821588122	0.9447447703867362	0.5974140806987471	0.9038683630422409	1.1446405682164211	1.3375018599857151	0.7617415237620774	0.6637565114800108	0.6561560189557547	0.5278942634035362
	cpd:C00354	cpd:C00354	FBP	D-Fructose 1,6-bisphosphate [-H(+)]	0.14571477370590752	0.7962935289023442	0.4491409667417326	0.8705305705027747	0.9380930902607587	0.7930997684500125	0.7171521664449354	1.0046108735074315	0.6320890274015687	0.8685065883572054	1.6308895795080183	0.7506029489881456	0.9814485834555039	1.4321206970694014	1.1477766701539216	0.7996282526995583	1.1500592735360833	0.9074549340779384	0.9208894931552515	0.9747838594961175	1.1876840632138923	1.3257592941176162	1.5108111177321741	0.7273159673156712	1.0650502526645007	0.9888345406244874	0.7072187173028386	1.0607260610506148	1.1396824521908773	1.4737567964266949	1.1793407727202956	1.8066014559064427	1.4490238218872764	0.7232367240831326	0.6407475341838035	1.3251236384026304	2.032770463413759	1.430566262267178	1.2312324312378107	1.1063737223477428	0.587668965561374
	cpd:C00085	cpd:C00085	G6P	D-Fructose 6-phosphate [-H(+)]	0.04042098812640118	1.258330139855679	0.7654723558650324	1.1690199055069168	1.3081140422024313	1.0303548895089745	0.8856340927406872	0.8758710155096049	0.8881006742967001	0.7659031367327938	0.9895740804838893	0.6814878700422817	1.2515387894968124	1.2546287865635113	1.2490839949858366	1.0868763473033571	1.1535452085237201	0.9799311910520146	0.9496224850327779	0.9703837867510279	1.1623368552997335	1.0600413899854886	1.1088844870703722	1.065248206762417	1.1896344100413665	1.2275006630629464	0.8904424235151888	0.93263421314894	0.9796552796427693	0.9599215352881635	0.7922336845316652	0.5486706821588122	0.9447447703867362	0.5974140806987471	0.9038683630422409	1.1446405682164211	1.3375018599857151	0.7617415237620774	0.6637565114800108	0.6561560189557547	0.5278942634035362
	cpd:C00111	cpd:C00118	GAP	D-Glyceraldehyde 3-phosphate	0.029329343511964423	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	0.8900946927761848	0.9679744676032576	1.2056183202879653	0.9115126698943108	0.6054410559670669	0.8351267586067098	0.9482260852434536
	cpd:C00184	cpd:C00184	LAC	Glycerone [-H(+)]	3.8294	1	1.0144670294072498	1.125649544944429	1.6407747324968738	1	1	1	1	1	1	0.7602414373849116	1.2706732061418669	1.117190820643546	0.9991389400731874	0.9482854599194283	0.9837263174726587	1.001524792815123	0.8121631307264842	0.9898661801129512	1.0561767992874278	0.964388951017387	0.8117698429090315	1.0117348905759818	1.006745959362943	1.1453011279379364	0.8444032666351432	1.0368075171065092	0.9878424321387262	0.9660596781960581	0.8617116737587952	0.8736724088998133	1.1625193485952159	0.7591966864903461	1	1	1	1	1	1	1
	cpd:C00003	cpd:C00003	NAD	Deamino-NAD+ [-H(+)]	0.12081	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
	cpd:C00004	cpd:C00004	NADH	NADH	0.06822404934887696	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
	cpd:C00074	cpd:C00074	PEP	PEP	0.4025435907644677	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
	cpd:C00009	cpd:C00009	Pi_Int	Orthophosphate [-H(+)]	6.946300000000001	1	1	1	1	1	1	1	1	1	1	0.6873690416788762	1.1246447429985607	1.122611059622912	0.9759027492170833	0.9997139000406485	1.0222666217074121	1.0534487676108282	1	1	1	1	1	1	1	1	1	1.0894713186658456	1.0470558676709212	0.8366368367928533	0.8806683246494331	0.9159426407470742	1	1	1	1	1	0.42149980670454945	0.5011606203572979	0.5489062999839617	0.6723582455940159
	cpd:C00022	cpd:C00022	PYR	Pyruvate [-H(+)]	1.405039198852948	1.1164299162775757	0.9943580854516526	1.1173118290393027	1.7019953463280864	0.9155042618947604	1.191668693096022	1.1140245516271972	0.9323936485266614	1.0353018537053342	1.0378719754374617	0.5698579578583572	1.2622486195052551	1.1904149488374918	1.180978798678424	1.3715708810851885	1.2484426980360308	0.9747916486147639	0.827698885767989	0.9816344940774957	1.130305011140209	0.9920416126671212	0.8464623836926792	0.9931651366095623	1.1473164467083397	1.1773201911344218	0.8626007535638385	0.8053354764714313	1.43944968304706	0.668011840300417	0.8661809979368797	0.6258323614751383	1.095758035135992	0.794195072388656	1.2865308894761802	1.3970435171617932	0.7337676070499917	0.8797015915680265	2.7374863962936766	2.338193815367179	3.3360709322117006
	cpd:C00031	cpd:C00031	GLC_Ext	D-Glucose [-H(+)]	5.5	1.1544854962928202	1.0636563034639035	1.2196411558368223	0.7707426554042414	1.1082037879296296	0.9694516480734552	0.9711078092699517	0.9706501685819292	0.9960789246355799	0.973789061846656	0.7541427353704666	1.1756549143581827	1.031806127741038	1.0183978808358811	1.0508540941955486	1.080107590273652	1.0003448508968409	0.8491388212074646	0.9647162494241467	1.1474209009252734	1.112838801565094	1.0668316035198424	0.9709602048324681	1.2946981291592599	1.289671073063837	0.8484342250107664	1.1155786923080515	1.0584280698171566	0.6049708486128278	0.7498680580131396	0.9603600612763917	1.3231022490700701	0.40772802849629325	1.217495815772398	1.0034682450068266	0.8223948643134601	1.6482515905428525	1.7462137196873047	1.523200838112009	1.0942343049391232
	cpd:C00006	cpd:C00007	O2	Oxygen	0.273	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20311136018573472	0.20239708521276162	0.20311136018573472	0.14806922619116372	0.20239708521276162	0.20311136018573472	0.14806922619116372	0.051948704926353506


!!SBtab TableType ='MultipleSamples'TableName ='Mutant and perturbation Metabolite Samples, mean value' SBtabVersion ='1.xx' #Rightfield like table
					!SampleID	WT_WT_5	blank_control_7	WT_perturbation_7	water_control_7	TF173_MPN303_5	TF178_MPN250_5	TF187_MPN674_5	Tn051_MPN051_5	Tn674_N/A_5	dLDH,NoxE_N/A_5	KO51_mutant_6	TF173_mutant_6	TF183_mutant_6	TF414_mutant_6	TF462_mutant_6	TF463_mutant_6	Tn674_mutant_6	TF173_mutant_7	TF178_mutant_7	TF184_mutant_7	Tn674_mutant_7	TF413_mutant_7	TF462_mutant_7	TF463_mutant_7	TF187_mutant_7	Tn051_Gly_perturbation_7	AA_perturbation_6	Fe_perturbation_6	Glu_perturbation_6	Gly_perturbation_6	Ox_perturbation_6	Gly_ctrl_perturbation_7	WT_noGluc_perturbation_7	6h_timecourse_4	24h_timecourse_4	48h_timecourse_4	M129_timecourse_6h_3	M129_timecourse_24h_3	M129_timecourse_48h_3	M129_timecourse_96h_3
					!Batch	7	7	7	7	5	5	5	5	5	5	6	6	6	6	6	6	6	7	7	7	7	7	7	7	7	7	6	6	6	6	6	7	7	4	4	4	3	3	3	3
					!Washed	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
					!Description	WT_WT_5	blank_control_7	WT_perturbation_7	water_control_7	MPN303-OE_5	MPN250-OE_5	MPN674-OE_5	MPN051-KO_5	MPN674-KO_5	MPN674-KO, NoxE OE_5	MPN674-KO, NoxE OE_6	MPN303-OE_6	MPN606-OE_6	MPN430-OE_6	MPN025-OE_6	MPN302-OE_6	MPN674-KO_6	MPN303-OE_7	MPN250-OE_7	MPN627-OE_7	MPN674-OE_7	MPN051-OE_7	MPN025-OE_7	MPN302-OE_7	MPN674-OE_7	Tn051_Gly_perturbation_7	AA_perturbation_6	Fe_perturbation_6	Glu_perturbation_6	Gly_perturbation_6	Ox_perturbation_6	Gly_ctrl_perturbation_7	WT_noGluc_perturbation_7	6h_timecourse_4	24h_timecourse_4	48h_timecourse_4	M129_timecourse_6h_3	M129_timecourse_24h_3	M129_timecourse_48h_3	M129_timecourse_96h_3
					!Growth conditions	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), not aerated, not stired	adherent (attached to the bottom of the flask), aerated	adherent (attached to the bottom of the flask), aerated	adherent (attached to the bottom of the flask), aerated	adherent (attached to the bottom of the flask), aerated
		!			!Time	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	24	6	24	48	6	24	48	96
					!ExperimentType	control	control	control	control	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant	mutant, perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	perturbation	timecourse	timecourse	timecourse		timecourse, perturbation	timecourse, perturbation	timecourse, perturbation