sample91	sample92	sample93	sample94	sample95	sample96	sample97	sample98	sample99	sample100	sample101	sample102	sample103	sample104	sample105	sample106	sample107	sample108	sample109	sample110	sample111	sample112	sample113	sample114	sample115	sample116	sample117	sample118	sample119	sample120	sample121	sample122	sample123	sample124	sample125	sample126	sample127	sample128	sample129	sample130	sample131	sample132	sample133	sample134	sample135	sample46	sample47	sample48	sample49	sample50	sample51	sample52	sample53	sample54	sample55	sample56	sample57	sample58	sample59	sample60	sample61	sample62	sample63	sample64	sample65	sample66	sample67	sample68	sample69	sample70	sample71	sample72	sample74	sample75	sample76	sample77	sample78	sample79	sample80	sample81	sample82	sample83	sample84	sample85	sample86	sample87	sample88	sample89	sample90
Oxoadipic acid	1.96968855626616	1.4472820386008	1.71928241877023	-0.155724439424457	1.74480852240367	2.81376257832437	1.60034946001475	2.73264624473969	1.41675995345954	0.0579473099637313	0.153749821142595	0.291601215237523	2.49607264550366	1.91160987085956	-0.484848602391571	-0.310893304829311	-0.342736852562568	-0.483323606420366	-0.278599132708397	-0.30837227131553	-0.218626733195127	-0.161361797865828	-0.464454354280334	0.264440652322702	-0.0342530254987412	-0.515365394762087	-0.585424444527085	-0.57921351205589	-0.531126401357108	-0.0688810009616628	0.253214299514119	-0.061722303930062	-0.550403390120453	-0.186185309243883	-0.516281404253839	0.0654882525671085	-0.575472082285371	-0.127903974527148	-0.517734911834829	-0.125952210482497	-0.51914273053519	-0.648625297283399	-0.497773775714126	-0.674525042084941	-0.322467952748814	-0.601520224016311	-0.70997048854468	-0.623702392852125	-0.774320153498345	-0.582815541774158	-0.418100831423159	-0.597968204853618	-0.461571147753564	-0.691789976253684	-0.778672811520143	-0.780849140530792	-0.765614837460772	-0.46962149136076	-0.474794456371093	-0.781937305035865	-0.684066592457889	-0.671613728886763	-0.78248138728815	-0.602366025826036	-0.608291069529625	-0.597223865767315	-0.678240517364022	-0.782753428414644	2.09948098945179	2.13321526467902	-0.677289676855526	-0.782889448977816	-0.782957459259352	0.0600502390300809	2.60497304382785	0.887443541848708	-0.782991464400145	-0.0466163046915423	-0.783008466970566	1.77899941190651	-0.783016968255752	0.649815558618916	-0.78302121889832	0.460270838292053	-0.783023344219654	-0.730088891093708	-0.255789421277555	-0.783024406880271	2.12844522241919
Putrescine	-0.774900454941831	-0.751619481731742	-0.775022924704748	3.26526827211359	-0.154037785945218	-0.77508415958629	0.388906834277694	2.62106129988441	0.16521141356942	2.08371349967723	0.459526581785274	-0.752894497280794	0.325077460164678	-0.715666943025512	-0.775114777027061	-0.775130085747529	-0.334409467298574	-0.77513774010768	-0.775141567287673	-0.775143480877835	-0.775144437672834	0.316652347547843	-0.775144916070249	0.236390478179194	-0.56220169964841	-0.775145155269124	-0.775145274868478	-0.775145334668155	-0.774655515415664	-0.248808539336735	-0.696702368354948	-0.77514536456791	-0.237510086040759	-0.775145379521953	-0.775145386986561	2.82719050995795	-0.775145390735527	-0.77514539260168	2.5675894296999	-0.775145393533089	1.02144662205482	-0.775145394001293	-0.775145394234563	0.0578450012517676	-0.77514539435103	-0.766171857826714	-0.650841350435426	-0.621790580623228	-0.131395332746032	-0.549595320011834	-0.534081217177062	-0.397898867659017	-0.0120389516504493	-0.519985436574666	-0.188913177423734	-0.301504605115215	-0.770658626148106	-0.648883189796292	-0.757198321188928	-0.4159283723742	-0.305486373313226	-0.653720639407664	-0.618569327763862	-0.146681961639852	-0.512984968780093	-0.147547610438049	-0.633878894099371	-0.514143681766129	-0.264969176890195	0.687110799494942	1.71977910422799	0.819719934823277	0.309647243365082	0.373742750092292	0.81910866704643	0.890101896233472	1.44184635057747	1.22879050718291	2.36000078039862	-0.243875411808454	0.981007263168161	1.45106508018853	-0.603066783141925	1.94784680811682	0.811137974956916	0.50838716152858	-0.0574645720803994	-0.373079925624482	1.93839764538079
Adipic acid	-0.607679326947342	0.569661313756802	-0.647491145117724	-0.574089631578122	-0.570313964771163	-0.585514247105363	-0.658723642433493	-0.416200868433774	-0.534452859579598	-0.54654094683442	-0.514888023540694	-0.274041911082014	0.658532008663012	0.158610029876899	-0.357214656647589	-0.326409666734524	2.28403780536471	-0.26673300693257	2.29675612439187	0.114276048977858	2.66387630138113	0.879415016513134	-0.240586297961084	4.25770429031902	0.100619420769579	-0.227777773595366	-0.166579025026757	-0.164181639787813	0.250453166046721	-0.39889964658565	4.40868637213808	-0.0944784775872426	1.45492980344722	-0.113800739582284	-0.0419275940883258	-0.193727217447826	2.81537164167528	-0.214378387562106	1.18016533694728	-0.0449457252410327	0.391406079898039	-0.321005550683125	0.873330274777211	0.0339032047555754	-0.700517810366947	-0.569969419231317	0.392531224884047	-0.67557947516284	-0.709176110111872	-0.737305619291179	-0.73980879879579	-0.741060388548096	-0.544733617937693	-0.457274584798394	-0.472551230981298	-0.725035075298783	-0.52911000413927	0.334021852734065	0.187359755047771	-0.741686183424331	-0.559355396317327	-0.00903841729095912	-0.741999080862284	0.247009538085568	-0.732299260281956	0.457778020902158	-0.379627634088263	-0.402724276018313	1.07724798018854	-0.531326830000293	-0.348419514968521	-0.615200418443961	-0.350818374521564	-0.545798849027587	0.789223126806265	-0.742155529581425	-0.117639922076079	-0.560477303846076	-0.602349100887462	-0.742233753940831	0.346162591779402	-0.668722725359465	-0.207065512507631	-0.682189048104834	-0.424148926568833	-0.565473302619491	-0.253051175256356	-0.5351878357388	-0.459375850844122
3-Methylindole	-0.135612566129391	-0.0575328139412579	0.200499722100154	-0.268695025224115	0.349760388587859	-0.00102333679664705	-0.035445351713625	0.0592957031409423	0.385151132861277	0.426882318692072	-0.0932525739071236	-0.305412863364057	0.123573156978018	-0.040487810843186	-0.374202107652455	0.228066359539149	-0.269120962343137	0.923422866451305	-0.0374346359949449	-0.401174409047652	-0.100595796361835	-0.333898567442416	-0.38798663728778	-0.163136004144783	0.444171749254666	6.4605847555245	-0.191415179349056	-0.156166427099739	-0.0192369018203326	-0.225632265309394	-0.205623548764376	-0.421096628193668	-0.396801852374086	-0.00228346584343973	0.134111957321196	-0.0149722212980406	0.00225651037501008	0.163244947699221	-0.124603054350674	0.264014463160223	0.0228861167065622	-0.24532658001614	-0.168949401095444	-0.472233096630536	-0.303270963200737	-0.312006283575237	-0.179998403119226	-0.255320125094201	-0.467560562423849	-0.256366273150323	-0.259535953245681	-0.223381448233983	-0.322682706210781	-0.0594363616991735	-0.238183493375984	-0.273769020929165	-0.396934990907844	-0.139925652122137	-0.32232006746352	-0.495465063745627	-0.156187708575046	-0.412994074189281	0.42119450369297	-0.259419147586147	-0.427280948510593	-0.304350213045963	-0.449893880428419	-0.378371702037861	-0.397709130570519	0.0723422379801447	6.21363648614734	-0.128329412229327	-0.130184022391376	-0.332324501163744	-0.387175443258482	-0.459454736839711	-0.353208541231168	-0.21994515560074	-0.183379892146753	-0.368936575718631	-0.336031255509136	-0.0784987578834547	-0.315409541466233	-0.00180406027188433	-0.158482828868367	-0.392885397767415	-0.102318757185824	-0.389275267505228	0.384265028605491
L-Phenylalanine	0.0704414555213246	-0.184757025968429	-0.2806749606085	-0.284153324427827	-0.284167077699552	-0.0081456847562024	-0.0697368469893284	-0.261339158376402	-0.156306086485796	-0.22509666859818	-0.233088135720079	-0.284173954335383	-0.259285055502994	-0.264650791445516	-0.272957065728615	-0.262072689398238	-0.265921817861764	-0.270812594482314	-0.271548828177396	-0.274364581615296	-0.284125817884375	-0.28417739265333	-0.279366526548768	-0.204332863356576	-0.263243654062851	-0.258752611773335	-0.284179111812337	-0.282770746080161	-0.284179971391775	-0.266328578423638	-0.280588593873847	-0.284180401181526	-0.283778281874345	-0.276059594806078	-0.262772581486134	-0.282404314901035	-0.280959432012642	-0.23532368537202	-0.279921088654195	-0.182119642392242	-0.282663723108413	-0.284180616076402	-0.266259310480619	-0.274733454886357	-0.257628593758073	5.53203960982196	1.20768131020557	-0.279088715611864	-0.112109019159906	-0.281634773291571	6.16862887472891	2.80972024939298	1.18685434688629	1.77891580378732	-0.00823003094705127	0.371860858102032	-0.282907802131749	-0.283544316551384	-0.283862573761298	0.254644665326045	0.0671986155441465	-0.198291458141391	-0.284021702366288	-0.284101266668783	-0.276445251963562	-0.284141048820063	-0.284160939895638	-0.284170885433458	0.0120318182775469	-0.222340167164836	-0.215543801346226	-0.2841758582024	-0.284178344586839	-0.259137407444508	-0.284179587779058	-0.284180209375136	-0.27363979367903	-0.284180520173239	-0.284180675572259	-0.284180753271768	-0.253467862921915	-0.15844063539999	-0.284180792121491	0.0528681815019567	-0.284180811546384	-0.284180821258831	-0.284180826113333	-0.284180828542306	-0.175163370823651
Isocitric acid	-0.17981193841776	1.72244763450504	-0.31582218442485	-0.557226347127119	-0.3033028413454	-0.402937885470623	-0.422500634612541	-0.306702973483647	4.09569777868029	0.276701155468155	1.16220723130173	-0.829537072174425	1.05738559919085	-0.13926756133081	0.800250732886401	0.331058869407756	-0.237048780598677	1.17006593267674	0.0510412783564705	0.194420963560682	-0.627587602049563	-0.573494196995625	0.447982935335381	-0.47923225271152	-0.614967891246686	-0.46683808878801	-0.206891210647105	-0.457052997396542	-0.688892083001901	-0.478969604431718	-0.531128539817931	0.106108638606474	-0.241343201532389	0.318783066854534	0.909465000596232	0.741211688909321	-0.522422176277553	0.340398020972833	-0.544191611045441	-0.619630255722433	-0.694638783138365	-0.315318907420102	0.736145467129322	-0.760785955192781	-0.863912630653648	-0.762311147959449	1.55858213549249	-0.850749615355534	-0.612670581865781	-0.883195168833122	-0.895263786006221	-0.89223938287957	-0.337280436406995	4.31074899111041	0.399560662598553	1.03726544341686	-0.896775987569547	1.2822870888093	-0.8685757178722	0.971598835389347	0.467331703616855	-0.156794368717211	2.46861044047952	0.388026408359553	-0.850993584405755	-0.748496532887968	-0.887791903075509	0.620664616382036	-0.897532088351209	-0.814611344770009	-0.574578558241596	-0.897910138742041	-0.89809916393734	-0.376389849383741	-0.692957009342167	0.133841044819721	-0.527115095066093	0.458334293557564	1.67536905008226	1.2032143537598	-0.69918927863516	0.0818096304635606	-0.797866393373516	-0.855643753530304	-0.898193676535222	-0.213633745963805	1.38250350109551	-0.898240932833931	0.165435255724599
Fumaric acid	-0.185294628150191	1.71750339468138	-0.105963766146148	-0.223432122159517	-0.0856302324545433	-0.39732064243941	-0.147860742925369	3.70082690876364	3.50911180811682	-0.282815915440404	0.747125653427785	-0.24944693033137	-0.216812027805776	-0.501877461472812	-0.289388953484552	-0.02413953484246	-0.243904210227761	2.43042842047599	-0.332048356572266	-0.471389202724049	-0.207781045605431	-0.260758072965342	1.3475148582798	-0.217003034135693	-0.0358119014381628	2.04333457944976	-0.29177978672631	-0.0394608657109113	-0.462322800815108	-0.190819905871874	-0.40775554228293	-0.503036027174982	-0.308638566840577	0.763687230975351	2.44202489285369	-0.214419013829548	-0.101086706747534	-0.0108840351856461	-0.252697863105447	-0.0585930707299368	-0.166042738755681	-0.395229451624815	-0.0496955079413535	0.331403011295645	-0.589105890297355	-0.716674331323674	0.877525375479598	-0.667277883004499	-0.70023739300935	-0.735711278169235	-0.675741272526871	-0.386159612754125	2.43078001465592	2.19614498118492	-0.738604691213837	-0.145676647775705	-0.740051397736332	-0.740774750997289	-0.741136427627864	-0.741317265943152	-0.666407849183372	-0.526067369509921	1.51917403807085	-0.741407685100796	-0.741452894679618	-0.741475499469125	-0.741486801863782	0.874073497001328	-0.707890459937808	-0.634840869835699	1.38676402589188	-0.741492453061014	-0.741495278659727	-0.708660465419522	-0.741496691459083	-0.741497397858858	-0.741497751058649	0.433483910787199	2.07742163509697	-0.620478938413495	-0.581438734950762	-0.741497927658544	-0.741498015958395	-0.729924452080031	-0.741498060108417	-0.563378540914377	-0.412534911182652	0.482437628238253	-0.0117373093199321
Caproic acid	-0.319305091636926	1.16287674692052	0.193797516932819	-0.104675085261175	-0.714564215468461	-0.765087692059276	-0.767317111931731	0.489769331024936	0.994009816173663	-0.13153577447163	0.114115652701493	2.25456884581349	-0.623738745931542	-0.768431821867843	-0.706650260751055	-0.42196543965645	-0.760628852314365	-0.768989176836015	-0.769267854320101	-0.651060967062029	-0.76940719306226	-0.769476862433223	-0.449114150490428	-0.769511697118589	-0.314843297682773	0.787481554251573	-0.0483635012854001	-0.769529114461388	-0.769537823132904	-0.551731265289709	-0.769542177468429	-0.769544354636308	-0.769545443220364	-0.399640716685901	-0.612997767965299	-0.703068156578555	-0.279890932236482	0.747658929700969	-0.769545987512275	-0.467242596359664	-0.61190942796059	-0.769546259658231	-0.402343606746081	-0.769546395731092	-0.769546463767639	-0.440950638406318	2.63383014565256	1.14641847387171	0.532008131579001	-0.603664775069908	-0.297703311083444	-0.686605653448689	2.79964374446601	2.48281333926684	0.0615438005886752	0.96613782532079	4.25579664040983	-0.426210170070602	-0.728076092614796	1.12240341347279	0.343059399866539	-0.188688518081674	-0.230282909621555	-0.419103826911746	-0.145102940017412	0.0476558585915328	-0.74881131221182	0.392046994140024	-0.419265351458613	0.870944776651246	2.08862977553445	1.03358215227498	-0.5785531836776	0.126224796278183	-0.759178922009167	-0.410279226653348	-0.764362726906677	0.699191625944513	0.121194011695584	0.23191505737438	0.616959724023814	2.65819764024115	-0.25962704630703	0.0432792432083803	-0.385042091641795	-0.354508838431106	0.712111061638268	-0.766954629355432	-0.768250580579809
Erucic acid	0.0582546613644281	-0.446836549698535	-0.584940002886796	-0.43337285172931	0.413571671907756	-0.591614439368671	-0.594951657609608	-0.596620266730077	1.76467826709824	0.319338612413132	-0.597454571290311	-0.597871723570428	1.83302095264733	-0.598080299710487	-0.420799365303492	-0.598184587780608	-0.598236731815484	-0.468937933441532	-0.199005016325093	-0.283481151080787	0.149351415211425	-0.0248764979720166	0.016123927919846	0.116429141125149	0.0136539243634328	-0.598262803833107	-0.45437296242969	-0.598275839841734	-0.258104344317385	-0.567164942859669	-0.566653606229687	-0.598282357846139	-0.598285616848342	-0.598287246349444	-0.523744638777799	-0.598288061100087	-0.598288468475316	-0.598288672162931	0.156495376857951	-0.547526904556418	-0.571591129919348	-0.187063958077792	-0.368741992945966	-0.598288774006738	-0.598288824928549	1.25447823952682	-0.473510126791654	-0.389204536083486	-0.332533584774975	1.45541380193928	-0.493841868866118	-0.490597570496007	-0.416041202385232	4.41890756025178	1.38471261176675	-0.427679061270147	-0.329559010206417	4.52747420689458	-0.484498568483833	1.34769249632157	-0.272714748734843	-0.360324161678791	-0.232074247710696	1.17579779344489	-0.244228541400578	2.42441453799262	1.90335180304791	2.20840594817623	0.499288234744028	0.803452201924206	-0.411308841486648	-0.504429018311824	0.228142732534944	-0.423092402750595	-0.451876750583908	-0.549375338273932	-0.384074877186842	-0.464189690840724	-0.403639329727752	-0.494188735551404	-0.452164380702296	-0.536762278430969	1.19601427674638	-0.478723473471153	-0.469145346357331	0.544597166918098	-0.531550946857288	-0.497631991466106	-0.551036140437836
Pentadecanoic acid	-0.315207096171102	0.837139940875564	-0.444371087410974	2.52784686557962	0.795348076512548	0.65706314232617	0.148205880882693	2.09528035169554	2.98485443165926	0.503256684134718	-0.289547504592405	1.19810151564991	1.16827836588512	-0.271420836470171	0.132907753628581	0.249758860451753	-0.393376116396609	0.956636366753031	-0.420719700101005	-0.446310009596122	-0.309262157458899	-0.502978821899481	0.467161118166467	-0.0752760994709366	0.174017166757693	-0.429405950393861	-0.0580117748440382	0.114131623630649	0.0411661209956725	0.632607446545653	0.0366284353283306	-0.0424621508166572	0.112538129413802	-0.344197570555141	-0.286018984753693	0.685344716885802	0.0759640369727789	-0.229542389141601	-0.270010373468907	2.17509617825405	-0.528907969749676	0.134072793570461	-0.00113059530969379	0.930933588936031	3.10269201934346	-0.798035703268613	-0.65551144898846	-0.800031393321003	-0.331936324917839	-0.604856193886789	-0.732859389961235	-0.80102923834745	-0.367107535232753	-0.333699855175759	-0.8015281608608	-0.794044323163328	-0.553620703752241	-0.515839761114384	-0.801777622117348	-0.696188426152154	-0.677876100184234	-0.801902352745623	-0.620511175385734	-0.80196471805976	-0.801995900716828	-0.771041396496597	-0.802011492045363	-0.630254635357015	-0.63419123678457	-0.444370218766406	-0.80201928770963	-0.802023185541638	-0.802025134457767	0.287515353388735	-0.69404930488537	-0.802026108915832	-0.0667845854421551	-0.676684826068579	-0.802026596144865	0.0162553146303316	-0.802026839759381	-0.802026961566765	-0.468592608198022	1.66204204169915	-0.802027022470331	-0.374989521620305	0.582263874610263	0.734883052285754	4.70965323073431
Pipecolic acid	-0.443752745405916	-0.518626574601379	-0.46657602670705	-0.0836145340828081	-0.539201249602245	-0.626553878577842	-0.66643159087141	-0.567242435969498	-0.707102521096768	-0.690271946687039	-0.278502014114163	-0.463903972738686	-0.349500626678962	-0.295234885750503	-0.129415105948624	2.48703996238278	2.28767347776935	-0.0725591799316157	-0.19882663418673	0.670763546387043	1.29602336472003	3.031184316589	-0.289558863634894	2.23832549862969	-0.715517808306474	0.213275400375888	-0.593481438773273	1.14241804800462	1.76574792551325	1.11558964901318	2.07140304490168	2.44459160183302	0.997228974630018	-0.719725451911327	2.69202046659277	1.5388842996748	-0.149084576877309	1.16461080699393	3.55980318841285	1.35906340853165	-0.286291377337531	0.223216280326902	-0.214760100683008	-0.721829273713754	-0.0113541789584098	-0.69354059492793	-0.560072060328805	-0.628481820201828	-0.209896731417882	-0.6622893209954	-0.718814919978133	-0.687575368851908	-0.700365031757741	-0.661945005804327	-0.654144147457195	-0.325371660693177	-0.529801625809443	-0.40137848226876	-0.4547029012663	-0.559614534576077	-0.410239037979767	-0.265077336379856	-0.713696744437665	-0.683352770445331	-0.657769700123759	-0.415413740665159	-0.297198887447133	-0.602732098655623	-0.36850204919455	-0.642976918288248	-0.721374007747157	-0.532634235574076	-0.2841135862142	-0.516666626380227	-0.215691992368659	-0.357946600203081	-0.441920476154809	-0.722653551631427	-0.159540544939537	-0.288361345466065	-0.454209726358892	-0.550179442854698	0.0223261877296505	-0.349465225130557	-0.493300253710034	-0.46243893230574	-0.581583479861078	-0.589123124336127	-0.296113814676529
Malonic acid	-0.602913325035679	0.492895630827595	-0.597178057554938	-0.427784946020245	-0.321612336524176	-0.250556033728727	-0.536849329479143	-0.070153282000876	3.27456322631693	-0.441732925015469	-0.58971813205814	-0.636072182619676	-0.227688458362642	0.137705441475507	-0.381880862597518	-0.393440137900689	-0.479517898061852	6.5001107057133	-0.337463941238727	-0.199098721807305	1.23708799314192	-0.172227643920849	0.711406007022655	-0.65265161140932	-0.286429848458412	0.133998213303489	0.304978193147497	-0.57589185551797	-0.66094132580532	0.10388269001757	-0.475052615971254	-0.665086183005673	-0.514360780519184	0.189222187350185	0.121876414050729	-0.351440895313046	0.408462542887048	1.11503946824047	-0.481452272371529	0.343328105135516	-0.07471522871703	-0.43454276434143	0.579507127934679	-0.0990688466392554	-0.264163819750549	-0.374034329207028	0.750976552773367	-0.170223787581141	-0.246952545984676	-0.448707987802341	-0.254132544065425	-0.546744531110281	-0.162973371612688	2.24389964760413	-0.479937435161593	-0.341857678377854	-0.338183160735951	-0.367565409711583	-0.353500392790808	-0.449541425812054	-0.182720295932129	-0.276663734408791	3.61538918533885	-0.374765591651645	-0.355901253993848	0.283227217586654	-0.50525253510359	0.409799968664905	-0.554095538126015	-0.443373121040936	0.209853854019323	-0.180410174178391	-0.511874547290002	-0.270147795585956	-0.338317858520345	-0.234274298866159	-0.417126444908004	0.073435334593661	-0.193167861391145	-0.0569519422758709	-0.314421286717085	0.981880097522707	-0.0613656490707601	-0.275055769544721	-0.258081992437135	-0.584770998018004	0.0188209603171895	-0.593665565810136	-0.522901648415166
Nonadecanoic acid	-0.616949163494282	-0.242361919776831	-0.630705345469633	-0.577383895821604	-0.226628305495473	-0.538538055004756	-0.510698309699009	-0.637583436459684	0.286275858887334	-0.268147470714643	-0.530352061270256	-0.64102248195471	-0.255016856682023	-0.3960001144022	-0.00839682131873737	3.15002895992792	-0.201141850409815	1.58356560962641	0.967851805361193	0.136395048657858	-0.264282859126147	0.25263909529037	3.06818381956199	-0.642742004702223	-0.643601766075979	1.02121009467097	-0.644031646762976	1.00690527523479	-0.644246587106237	0.023236218612747	3.57931940054522	1.55128394394975	-0.644354057277986	-0.644407792363861	0.162767739838159	1.17828432000162	2.24421082159975	1.61233243049421	1.08921995933672	-0.644434659906917	3.18529233960788	0.817245759967989	2.89319630892448	1.20271554569244	-0.589436799538829	-0.628580225671895	-0.559910064541411	-0.636520876562003	-0.640491202005869	-0.446737748519546	-0.402837749082417	-0.367334733517934	-0.38701174545463	-0.119675255815661	-0.548460605091349	-0.642476364727565	-0.643468946088531	-0.339155562543379	-0.565520643842542	-0.486887050962775	-0.551873452033235	-0.643965236769252	-0.644213382109494	-0.366116854252203	-0.644337454779496	-0.509376556742647	-0.55735814462772	-0.0410542010572815	-0.339667914804464	-0.609339499418745	-0.526710495210551	-0.487109822563195	-0.644399491114616	-0.454218813120821	-0.0117822226764319	-0.45182548326425	-0.644430509282175	-0.644446018365955	-0.0824369419167328	0.0516286531242154	-0.404972058101872	-0.510043942102497	-0.411957027018131	-0.563572946096514	-0.0200260816825332	-0.31521140497138	-0.0295409961301347	-0.268666704330126	-0.627602319109252
Butyric acid	-0.606710197451039	-0.213921820299582	-0.610218158559924	-0.611972139115793	-0.19771032223122	0.272001223890273	-0.61284912939349	-0.613287624532457	-0.613506872101822	-0.613616495886504	-0.613671307778727	-0.577878989357139	2.07962530646617	0.253658009816387	-0.613698713725076	-0.613712416698012	-0.6137192681846	-0.613722693927893	1.17148179002247	-0.61372440679954	-0.613725263235363	-0.613725691453275	-0.372450076630144	-0.613725905562231	-0.387570984016706	1.05203195764843	-0.599694275228513	-0.28593097276924	-0.118748953978139	-0.613726012616709	2.88051376445607	-0.0588713485288076	-0.613726066144067	-0.613726092907508	1.90863896240737	-0.129367711028708	-0.613726106284473	-0.613726112989719	-0.613726116318564	-0.613726117999631	5.01945508827874	-0.23348604985849	-0.478024022904517	-0.484034267541002	0.538800537231589	-0.467902907620304	-0.161060907515013	-0.533434525195576	-0.318357395001165	-0.10105440322895	0.261153287725356	-0.226933284818487	-0.264927897595895	-0.447768266808135	-0.479562173611323	-0.49071794227811	-0.459168170330597	1.10531939301131	0.529681585276124	-0.608231995359563	-0.508992031023439	-0.36084148883823	-0.542412354389928	0.632858605579101	-0.374238782227564	-0.243332209007162	-0.491281148055367	-0.481784066111692	-0.28064394173396	-0.0235488113355856	1.38995763055176	-0.254452090676099	0.0904119034101159	-0.143279406373905	2.11529029410815	-0.0706926749811567	-0.31437503690144	-0.157171135066855	1.88291692199512	-0.0380297299642439	-0.378668273451653	0.185331589879935	-0.340464332653656	-0.362710063422389	4.12288240386287	0.450539340881527	0.178657243043077	-0.0997020533812659	0.143891363455404
Arachidonic acid	-0.848301088864346	-0.426185990579377	-0.763516454646929	-0.0427230460286998	0.0624928750889624	0.056955153830858	-0.092529640694923	0.112816353504787	-0.74688656267974	0.353441672878818	-0.771673003019842	-0.353092021693713	-0.0921375794640194	-0.410311993038359	-0.595338964534507	-0.42304801122964	1.26317492105478	0.0737845537393098	-0.391030110686055	0.346088512467991	-0.33721258329695	0.0449417468009227	2.28686244576275	1.27159335611445	2.28647164337004	1.66514019277197	-0.307764386836145	1.73521488302036	0.585674739432699	1.67133572692455	2.71250707133892	-0.117385826069781	0.354344792358573	2.60098350830656	2.98687467015191	-0.0601956656332465	1.91602717220564	1.41009056791408	2.38476073674832	-0.0380556709008817	-0.305586033587273	1.63993979244675	-0.315051240460058	0.94044005016777	-0.061552145384124	-1.13177732795541	-0.663165810843481	-0.958032985032243	-0.443532676059565	-0.333872314415228	-0.139602444295685	-0.437171829213425	-0.219880701552013	-1.03790799825564	0.193026850666358	-1.02477216090564	-0.453027866838694	-0.456840726401396	-0.680011676257422	-1.14922032688856	-1.10630777446556	-0.3790521443684	-0.915593953186399	-1.17301137441814	-0.951223936268293	-1.11537682299399	-0.925273683449477	0.039752386316065	-0.106390581116968	0.360594856535443	-0.274248725879123	-0.881643074871778	-0.810905360433229	-0.173153641052668	0.406152821361839	-0.968328429622154	-0.770489264028102	0.280427807695807	0.527712285441841	-1.02051657267204	0.208449162092904	-0.455489019438622	-0.000140307250765006	-1.07415168011227	-0.993481812279296	-0.131921074338299	-1.08462986942149	-0.175354203716414	-0.662995138885542
Methylsuccinic acid	-0.54384960471574	-0.033398301965088	0.762490691839139	0.169831361414636	0.618339440271723	-0.216581334086226	-0.826017737868419	0.151289782665237	-0.23018325941723	-0.500010335490951	3.29691058940259	-0.672708703330438	1.60172793153081	-0.338176876638342	-0.279330855601193	0.286353846893329	0.869042735613374	0.328573386576431	-0.240838079426822	-0.106414012444542	1.05485690635525	0.30044362022227	1.97246367284923	-0.111212094026687	0.180983057104723	2.09863183329297	0.0586679463072965	0.299587181861102	-0.209852500218485	1.56966722559288	-0.646410989615024	-0.338407788458311	-0.286362157328981	1.34356096515888	0.957812576636914	0.123865059859328	0.904396736208722	0.983611835028032	1.66449745505739	1.29324004166376	2.0051095831875	0.748229208675423	0.497403513192901	0.233271913979388	2.79627330859805	-1.14809183178012	-1.22380837133552	-0.362085890939773	-0.874616055348719	-0.551441693855514	-0.957324990698264	-1.41379311581454	-0.917944630548454	-1.0370647011895	-1.15429420823693	1.26627614436721	-1.26079785887548	0.0877470289706824	-1.16483017650367	-1.163165497012	-1.07850706203291	-0.737229186493046	-0.99168675274253	-1.12579101766359	-1.19954525875356	-0.552101159755146	-1.17054478398122	-0.530667567677139	-0.898485202140256	-0.639396898343567	0.858358958142746	-0.982218979451141	-1.10108376425894	0.551427203473909	-1.3161111606509	-1.06788347716289	-1.10617654893103	0.399000969983421	-0.114358210389209	-0.623847917197769	-0.120453032146516	-0.126691898448079	0.610880862771864	0.131312108513142	0.613563935557064	-0.37784858220474	-0.0441842696211035	-0.520195875444968	1.54432163944191
Indoleacetic acid	-0.688302860261867	1.23168896041484	2.37731381160256	0.309693270860556	0.11229672176695	-1.39275925515349	-1.39223216543251	0.263891115039104	1.433626290764	-0.991019784706399	-0.982442180694641	-1.39302280001398	1.9822132121154	0.508318410075932	-0.408722548651671	-1.18640879975051	-0.740085630962502	0.506851204897878	-0.222785077447787	-1.39315457244422	-0.447380518245491	-0.627544398777673	0.233585851305594	-0.667272824036713	-0.534172275151694	-1.05086673709881	-0.284160680190548	-1.03788942364182	-1.0906186230271	-0.584253289001209	-0.734214997612482	-0.915131114642132	-0.272276881617289	-0.499060344989725	-0.772083352648297	-0.0966431245437091	0.0702159146351198	-1.39322045865968	-0.869473989982441	-0.799076968547867	0.815441807055645	-1.2088616838847	0.630445180473353	-1.38273852859828	-0.331626908373002	1.10145611252784	1.55649377839138	0.231595373758706	0.596227565966325	1.57274004200697	0.027668380914824	-1.27371921258096	0.316734836968261	1.35383286397346	-0.773892551260479	-0.289133179700685	-0.51132935196436	2.29142278496207	-0.547691290235506	0.480228107961488	-0.744647245743435	0.1150536398361	3.35152491411089	-1.13986086149798	-0.54304355693281	1.33706284947013	-0.423561821969596	1.03980685089849	-0.236310163100251	-0.532383184436358	0.876555919354055	0.280229979913032	-1.15415208028746	0.786562342621106	0.195974215518855	0.124069558564044	-0.742520050566945	-0.0205266206384028	1.14149890900731	-0.0804036284551209	0.557602267404353	0.370828716501089	0.687804138530434	-0.375653779534552	1.8334746408313	0.83998195761572	1.67515249428605	0.437080196844645	0.124086187949282
Propionic acid	-0.555961437998123	0.115997499038834	-1.38781495431571	-0.847533999262725	-0.145425033409691	-0.831898202573526	-0.0435319844395287	-0.0526353311046577	1.01556937366398	-0.185382383026404	-0.339263289226871	1.08103366143438	1.12910873704879	-0.254403272368587	-1.49258231860052	-0.500896397811032	0.154698634868655	0.102810853459967	-1.14937120935627	-0.750784295423583	-0.51132290105731	1.67618233434669	0.342460263800398	-0.62631853683154	-1.60941626765049	-1.07291719760173	-0.661451170655522	-0.412013954365502	-1.19538185660139	0.0985972914013916	0.300188728285255	0.0847503174374012	-1.21463301253141	-0.664831644398806	0.866550405686333	0.541380135745336	-0.670405588979596	-1.34985763923852	0.704904587389442	-0.603539243468712	0.277451179482356	-0.0410487909605111	-0.951504362916719	-0.876449584063675	0.162420091684839	-1.69391677414249	0.428608306470333	-0.198337764498124	-0.376992094289846	0.737298756489629	-0.861523274611202	1.43998775132451	-0.228542746144652	0.846746393754085	-1.45706984210876	0.154533495499669	0.708000896357307	1.76420811945511	0.683539021354852	-0.672946382560723	-1.61000082385308	0.525020820226336	0.661099412619609	-0.814801420017196	0.660667400882009	0.0443292853748868	1.84841048592092	1.3053296071345	-1.41492531542002	-0.826649992657307	0.192935615149416	0.280615204535702	0.198377592009255	1.09099896010219	0.298960333672072	0.214283053166255	-0.778645636763525	-0.523699642135965	1.3629762963094	2.11698422337851	-1.12369194250734	-0.971522106662261	1.87169027776482	2.2664314595216	2.64937429043615	1.8920634908463	-1.07566871400677	-0.364329362731181	1.09426505081961
Hydrocinnamic acid	0.362606559226505	-0.421932626086716	0.413049741234706	1.02880068276007	0.619096852330794	-0.386008939283729	-0.371353764626109	0.267127094925052	-0.000669701417650674	-0.412058023033367	0.0190811438089283	-0.411542342321161	-0.421984764254707	-0.432470416121404	-0.432895300408374	-0.433107742551967	-0.433213963623656	-0.401693090751264	-0.285218685773413	-0.431007238808489	-0.4332670741595	-0.431620647547463	-0.33447974034099	-0.433293629427422	-0.333856200750129	-0.223431790362054	-0.301562391422129	-0.385568339855046	-0.433306907061383	-0.433313545878256	-0.37767752470495	-0.266220631091842	-0.4333168652868	-0.29473089576579	-0.29094723811024	0.115053065963025	-0.136164035213114	-0.43331852499118	-0.356197592091841	-0.199973503697551	-0.388209060859681	-0.323550048578192	-0.27227038484353	-0.433319354843262	-0.426120834224546	3.43651724200541	-0.216241276075064	2.17962168079092	6.05953114936521	3.92149120169573	-0.429778769919775	-0.320272545580455	1.40618222599374	1.32867687850655	-0.431549477307128	1.89515956878262	-0.432434831001344	-0.432877507848236	-0.269505477869743	-0.0185926972004961	-0.43309884627179	-0.433209515483675	-0.433264850089402	-0.159475449686173	-0.433292517392481	-0.433306351043913	-0.157071537044566	-0.433313267869521	-0.396703718206438	-0.209656705320262	-0.0978574546972146	-0.0112270891538659	-0.433316726282433	-0.375688533656015	-0.433318455488889	-0.286102160813075	-0.433319320092224	-0.1813534897095	-0.131789683721193	0.857635699532951	0.299881584024259	-0.433319752393676	-0.278274568867683	0.0956782153535315	0.0743464888807621	-0.426237355142047	-0.266573738619076	-0.433319968544618	-0.433320076619874
Nervonic acid	-0.583349497656455	0.0860580847255043	-0.573238275274953	-0.343278119188918	-0.573271429690862	-0.416755130246254	-0.429114805787509	-0.338887083026888	-0.588388531642364	-0.159340198250455	-0.50384942834492	-0.59090804863314	0.202308996280601	-0.431870610031514	2.6021336858139	1.84058263372572	-0.59216780712915	1.10423556971099	-0.55902312540975	-0.592797686377311	-0.59311262600108	1.87388627686561	1.67318968734505	2.27308644605313	1.41669766066697	-0.59327009581312	-0.59334883071914	-0.216737212518894	1.51788239221897	1.54394610788972	-0.59338819817215	-0.593407881898655	0.845782641983574	0.207103767470335	1.93879882032228	1.28565056890882	0.875359305874104	-0.593417723762064	3.37316533215293	-0.593422644693612	-0.593425105159231	-0.469415304027603	-0.593426335392196	-0.593426950508678	4.99788682501041	-0.592422172973735	-0.193003676999134	-0.50736861492824	-0.216775611761474	-0.592924869299292	-0.354235089387157	-0.427307864421783	-0.383967574426805	-0.574301373181271	-0.306444627114286	-0.516507908984937	-0.5544442351994	-0.0125547139430535	-0.572418409117898	-0.300351020910867	-0.259496552042044	-0.555055932391726	-0.279651591691459	-0.36954100058903	-0.554564996439795	-0.593176217462382	-0.285478424948356	-0.286242654251521	-0.111543232410688	-0.188416182416652	-0.557206331494984	-0.524571664150467	-0.246434549072334	-0.063332322754578	-0.527533862837195	-0.569076453251004	-0.287059788029685	-0.174282707152495	-0.00505800109018733	-0.196736712570665	-0.238599281616132	-0.583417274636755	0.0248181381125877	-0.499565997176796	-0.354676784349217	-0.466524151767209	-0.593301891543771	-0.593364728584466	0.282402793596573
4-Hydroxycinnamic acid	-0.677601051572381	-0.398703936599314	0.347001089281794	0.230975373221238	-0.271800734886132	-1.15774840429279	-0.548357551195083	0.0689364625621388	1.90887641349558	0.034515509768221	0.558849491971465	-0.705603163756572	2.09170256309402	-0.742642331421792	1.99985249771269	0.983756345981154	-1.14200062437245	0.573237858412201	1.38059889635642	0.242265111189709	0.182209179136834	1.71443959108557	0.361284965614535	0.624524308849594	2.58132846899802	1.87038489502394	1.48931194127684	0.3663503853377	0.297216673019333	0.545574913369954	-0.139274686571405	0.11622581977135	0.47024906314313	0.646532963884089	-0.469400385432048	1.51558111128082	1.43314788083211	-0.0740224359417738	1.0823605726768	-0.188642351525482	1.35014568419295	0.943274233863312	3.06105164413082	0.955467965115694	0.975851286331876	-1.18815362926676	-0.581801686166215	-0.264095107092048	-0.324894063399036	-1.00871396517057	-1.07342049288215	-0.774163772700124	-0.331316609794547	0.619717544041165	-0.954243988909335	0.0387955967486067	-1.3419552360252	0.937677695376077	-1.35838424113402	-0.60037190255259	-0.400934978638497	-0.811012882856232	-0.905553679638599	-0.985139073355969	-1.30909722580756	-1.14371673449943	-0.793966929244205	-1.16776259473997	-0.225229528973668	0.669884095223972	-0.0188378925605408	-0.194152259635593	-1.36659874368843	-0.919374337392906	0.00721033913442048	-0.456815907543564	-1.37070599496563	-0.9142536734164	-0.722281049463392	-0.0769441662258726	-0.173383360360938	-0.633083563608371	-0.422689072903391	-1.37275962060424	-0.739532142195251	-1.26775803316281	0.362873935156794	-0.796889405980215	-0.133455161541447
Tartaric acid	0.0792095592321693	-0.880847863386423	2.06174092643128	-0.445655234134936	-0.89660793795813	-0.904487975241343	-0.908427993882422	0.213739095547717	2.08298775111832	1.01129443267058	-0.00396780100301431	-0.263710288766989	-0.520787085802369	-0.849327714227169	1.70805318242636	-0.837354693129495	-0.692962986859204	-0.655977224189953	2.47508225860742	0.323189242056074	-0.779961563569803	-0.910398003203754	-0.911383007863891	0.0234530453396397	-0.310491448501265	-0.205267834796873	0.74824563921145	-0.336975338953787	-0.346468523469863	0.457006471245215	-0.584097515402531	-0.446649297232433	-0.911875510194224	2.11670255104177	-0.0951229499463027	3.35611101870078	0.849119219098433	-0.912121761359391	2.31935146525291	0.532451831520365	0.00488637627293799	-0.477927630065253	-0.912244886942238	-0.708807765731582	1.11696841146107	-0.759060790659047	-0.791162126788406	0.779079213964159	-0.411173551448912	-0.869933215346353	-0.901497172973308	-0.687804226362306	-0.108126952083018	1.51720319568132	0.346710489359674	0.350353317840606	-0.651105879942471	-0.431759675913982	-0.800369427017568	0.397423881531917	-0.890626333422059	-0.72859725765786	-0.906932592746293	0.492590197312766	-0.213277791760878	-0.795409847041366	-0.794880433144218	-0.777930524896095	-0.909650302636481	0.346181311835428	0.0353576700876092	0.446740918077275	-0.800450652866864	-0.49593557092959	-0.609734381485742	-0.767389307388219	-0.879347640200329	1.50225775049616	-0.38367750621159	2.25836914881383	1.47797916536523	-0.538653942085859	2.17741193571093	0.568912038550801	0.0442929575342714	0.024192336040472	-0.454334130107112	-0.863874270647445	0.687955334141073
Isobutyric acid	1.48928159853972	-0.144094908587848	0.184451974160969	1.7688692998599	2.41576990694356	0.821081430737975	0.867631634775169	0.672547016886931	1.51030567502247	0.277051157364249	-0.869762676341159	-0.0196068942685099	1.08434824280132	1.16896244817792	-0.677071231334678	-0.839172479237416	-0.281693261869911	-0.756176638236697	-0.451532020154675	-0.594319068102595	-0.936768849370572	-0.617950438243903	-0.401943345927313	-0.589171363244842	-0.428327985966451	-0.428875589749041	-0.801199424199812	-1.03666433750889	-1.27452602636503	0.232287267340139	-0.503364006506557	-1.0765161628892	-1.01773025342366	-0.0704629313982637	-0.527051599352851	0.800351445119493	-0.208347373605671	-1.05584801878067	0.195550713075879	0.408238423286535	0.717240627029144	-0.621681332024495	-0.419730903831257	-1.2228198849972	-1.08601167196161	2.07548722753545	-0.752825819667711	-0.322054467167974	2.69596399884531	4.14083745083866	0.561366587163935	-0.820371144581787	-0.892743901670205	0.0420509712648688	-0.695845561327257	-0.943215696865584	0.444616526222543	1.89548260450758	0.606898324775394	-0.189936035829592	-0.515041731082969	0.347412352021488	-0.778538023916206	0.358212546902673	-0.791758190090982	-0.37542632974366	0.404834320191998	-0.378914316336412	0.0552753022415656	-0.574191597191542	-0.0535241152578306	-0.268748131171994	-1.05414728965826	0.375980428104422	-0.198209880610223	-0.00969648730385729	-1.10499225989358	0.238532462932823	0.0555859972491656	2.05579690011495	-0.650606588713694	-0.954047141967454	1.31565535960832	0.328013909689736	1.24370528545515	-0.204794805651244	-0.980032010324049	-0.653391277146648	-0.734203936135919
Pimelic acid	0.869218901920001	0.155382073127615	-0.191838476062422	0.725290186513902	-0.990655528903083	2.59153315442511	1.04327714691505	0.613679645443681	-0.206141517047132	0.415978678829263	-1.00171068995652	-0.285162302138579	0.915256327410342	0.56537658761509	-0.653790421996473	-0.515696236035927	-0.0643497943032727	-0.938232152865064	-0.537525380700318	-0.355662896392961	-1.07928049599266	-0.103908307146337	-0.827539236296918	0.544260881299819	0.145342447574121	-0.701125809306647	-1.1059046909154	-1.00933236408793	-0.896938561550202	-0.465403135321326	0.277740483306327	-0.199960318408249	-1.04908884417267	-1.10083334594285	-0.979244473933388	0.0259152611038409	0.570854520624678	-0.628661311928167	-0.948239067082989	-0.875176795768711	-1.10844036340238	-0.963593991287008	-0.806837432571821	-0.904673925113026	-0.493840495892876	1.75879688301984	0.738806438918853	-0.196746396108185	0.529242840206344	-0.441540235247465	3.06443736537173	0.392260663815883	0.707979897158715	0.300569145909675	-0.47153434418452	-1.08567309467385	-0.435018330040808	0.687310669051982	1.20387583789747	1.58379937936272	0.707841144631963	1.62915166462299	-1.0983245652816	1.21284602651936	-1.06037015345835	-0.430768203522069	0.848247170976152	0.0845031816397713	1.09447134128757	2.02200039784911	0.110976938362852	-0.614392391365535	-1.10465030058617	1.19554747443475	2.38440129963127	0.261713576323931	-0.562110879790496	-1.10781316823776	-1.05230846799792	0.31999520650092	2.86452084990591	-0.464341265478743	-0.180005973184107	0.642860835528802	-1.0134346099988	-0.31092712869622	-1.10939460206356	-1.1101853189761	0.0330652663781331
Succinic acid	0.314132798964548	1.90592634795301	-0.972720509657842	-1.06455152891783	-0.130075640296978	-0.742104778303358	-0.310992720896682	1.96010470140777	2.74948428868638	-0.190861266631001	0.425187086873991	-0.626904800489076	0.46939973660551	0.285218051165155	0.302302849194869	-0.428366015921343	-0.743145335822121	1.80363952519915	-0.146317834969427	-0.85801798183802	0.781646475028013	-0.134500066420871	0.611275057110049	-0.686412110167081	0.941717709901316	0.831621578607674	-0.40571942901177	-0.155990751466111	-0.236848540740711	0.296826141347377	-0.797550007438223	-0.414153217289528	-0.654099646682945	1.38546213306562	2.53638944530191	-0.151934216166389	0.354091218382025	1.42255891345036	-0.180297734374738	-0.458834042741072	0.760365193786546	-0.269946960877486	-1.04766945101086	0.556075165269213	0.0572266449883391	-1.14875999268241	1.53715468260328	-0.382611858847572	-0.585392419632919	0.500245828019403	-0.47618686222423	-0.615047521314234	1.07313968516723	2.74706312776324	-0.462918938052578	0.0525452375102384	-1.16240412433927	-0.790328727235282	-0.725820648954658	-0.578199762576998	-0.0197080295187935	-0.444094701373764	1.68334940828506	-1.02466488207123	-1.03871644054107	-0.529615493078252	-1.1692261901631	1.63385128659777	-0.605659977014309	-0.165141511325874	-0.105283975473315	-0.672479889931059	-0.763820287291396	0.891994404732317	-0.869188394602161	-1.1726372230754	-1.17434273953231	1.71619528225001	2.49894474276733	-1.17519549776	-0.556935715198023	-0.087406322828422	-0.485506721637629	-0.700602032445688	-0.780395033518632	-0.939196225655695	-1.17562187687423	-0.656705435053049	-0.0373047080296771
Linoleic acid	-0.208400493680284	-0.274735639541707	0.00837040175608421	-0.26351782071942	-0.138754828432853	-0.537418558666562	-1.13768872889081	0.21006545897837	0.321441969947136	0.120879301122685	-0.0293965381897462	0.683485103184267	0.761929170759201	-0.520522802399802	0.838862152909849	0.704175675406142	0.495564186277214	3.7088409133554	-0.268797619079955	-1.11890514014488	-0.463122273496737	-0.153805594226548	1.02146721178357	1.05285797471641	0.0272980989631836	1.11553857472865	1.71580629361346	1.277864200758	1.30627262686659	0.649359790771651	-1.02733221126952	0.0612810989164901	0.277147854769371	-0.686538893993323	1.32551274728849	2.90838182938877	0.898085941378627	-0.166557812160053	4.14220867900225	1.15641474121852	1.32274023203606	-0.3983444913442	-1.14708052326378	-0.249460403525772	1.61307043849943	-0.625723814043479	-0.854999053420642	-0.154011261354289	-0.513227711637022	-0.693024905360092	-0.882875785012972	-1.15646406861959	0.0837994131390754	0.198953477417658	-0.266110561845718	-0.237662121329906	0.155229506744197	0.17852041711225	-0.945626188141389	-1.15646819312817	-0.901921169753582	-0.821590662932041	-0.0768645882571512	-0.744638166812321	-1.02898594173412	-0.801390527787614	-1.01309631846517	-0.62063455142178	-0.569765694278061	0.0737375492597546	-1.15645581960243	-0.116879555156222	-0.504536581178994	-0.554623345821868	-0.633823289495231	-0.571901657054747	-0.759929360891125	-0.570560700585307	-0.256969154956479	0.823929500079557	-0.573904833361836	-0.924463718179681	0.928055074319695	-0.799315600711992	-0.561865854641798	-0.34582473453978	-1.15647025538246	-0.135277050596247	0.311115564049213
3-Indoleacetonitrile	0.178199972226084	0.466483140702127	0.301186870219573	-0.209095596329479	-0.0778256941431158	-0.6399894223468	-0.118689304895738	2.83308139151892	2.33734912903156	-0.581850418478397	0.0933263341056972	-0.433039481617464	0.418928288721269	-0.891219283794066	-0.211541699163505	-0.504832966521911	-0.599483859555191	1.00921056334328	-0.162776721315629	-0.894593099703088	-0.896280007657284	-0.720305031822071	0.415326706724618	-0.687853461009985	-0.346226694773574	3.55493481019677	-0.625628245903144	-0.228323189390382	-0.552924855958535	-0.849444664060701	-0.659076316427081	-0.884471651977282	-0.226017627330436	-0.68008510527826	2.54061182055796	-0.295615556645908	-0.487530842353048	-0.247418637825506	-0.154421538062518	-0.142350708035627	0.316319224640825	-0.266694427244521	-0.614084719916806	0.441128002489167	0.804424220733165	0.0516801050413149	0.0543162482921334	0.0196619346949887	-0.135861725123994	-0.507965649689053	-0.748158510668032	-0.686406007772492	2.36498320856803	2.03613359899511	-0.482771422947172	-0.193798537822326	-0.314772174941957	0.0653092688772517	-0.807850297712378	-0.736147829018937	0.029178704487374	-0.704954945615976	0.602182978354592	-0.154867468436058	-0.438412003920175	-0.644340557991382	-0.731607137646021	-0.159877710406642	-0.802830635907806	-0.106717408706856	3.93716862211379	-0.765459232563079	-0.291929458058885	-0.687321319398512	-0.404529046581904	-0.676482546478926	-0.528716973629179	-0.151549480161456	2.81156896875498	-0.594802770637348	-0.330914800155323	-0.736477688652049	0.330608699412798	-0.0217356187316483	0.453526065819885	-0.530629336109807	-0.381187198945861	-0.0818873160951573	0.963824761440181
Suberic acid	0.651045194760278	1.23426509971829	0.231065558834805	0.0322479391791795	-0.187619837535778	-0.424117629403246	-0.735458562048805	1.44302833126075	3.72512939073784	-0.0155255055064785	0.483267916340742	-0.527178426999125	-0.431021097768178	-0.387970595883854	-0.343406177278496	0.240096252487424	-0.814392897504691	1.33086248452589	-0.804582576859639	-0.44007539219328	-0.89820386345265	-0.33117708425518	0.0227553631841741	-0.486632982470099	0.342104948026292	1.80825759952836	-0.250521561661391	-0.276882063644923	-0.751328389036253	0.0157186276760534	-0.517895107676744	-0.982492779924625	-1.32700844312841	0.271659341620107	1.60118296947274	1.0106464049345	0.348206861060674	-0.930589114935423	-0.962722093180492	-0.207318509236394	-0.935508754314316	-0.0928592950589426	-0.150312570911278	-1.16244732235556	-0.583701214096443	0.383121435389025	0.628625976808789	-0.478083635983627	0.967168675978556	-0.13802474250201	-1.03059523480103	-0.820936491164273	2.17790711061705	3.64729267087367	0.0940978153981334	0.931405390844239	-1.24585229205509	-0.289067735020186	-1.41196840987667	0.0934541568698785	-0.38558196538639	-0.0074145202244178	0.864288851313029	-1.06106691994334	-0.79909967174373	-0.113735085451746	-0.560133887777659	0.445026595068341	-0.617276654093135	1.05637480911953	2.82242091678271	-0.238866750811151	-1.20981346724389	-0.480200518328202	-0.263148017718789	-0.309383035585758	-0.904024836800722	0.110442155463009	1.66287803335548	1.13646016508673	0.769390520295711	-0.381485933734882	-0.662096134350572	-0.506453225571355	-0.647280003316886	-0.659571468807462	-0.338581396639325	-0.746819069204018	-0.316384610154953
Homocysteine	0.713690885040076	1.11942419772341	0.772963485483099	1.10161112184859	1.28847262576798	0.115354416499559	0.460503832041423	0.422791002494789	1.6786805393689	-0.707692138105355	-0.64784795998926	0.927073638460761	3.14138647476238	-0.722460580630681	-0.511744010480262	-0.683428838701783	-0.466160214935039	-1.12162213205995	0.49541062752902	-0.464054006721737	1.5832151964392	-0.410616319780272	-0.0884118914158826	-1.01460181743951	0.399524765210913	-0.871472385976086	-0.830458628912171	-0.701509594780969	-0.223484379489614	-1.49038643768949	-0.273460265178926	0.837438735181177	-1.00617473600706	0.711602780236852	-0.566011792555888	1.46769599195935	-0.74931936394065	0.242705702549317	-0.45186411378243	0.485171344373783	2.14357350242311	-0.835032893662641	2.31042449697794	-0.501577208137972	1.1367227312096	-0.349132989843333	0.461697467788124	-0.0579541627594064	0.345519491046709	0.159401248492278	-0.470502869977131	-0.440613042968496	-0.680232223031613	0.51790000503686	-0.905303883782086	-1.27340562623874	-0.178743034116131	1.67215648893596	-1.23711905655292	-1.11934292055878	-0.905092689607681	-1.14504554715454	-0.983400623371565	-0.232234329877986	-1.1440436922508	0.458087280534866	-0.494715525391143	-0.785079238597667	-0.77196127808083	-0.159919822523728	-0.975905091169998	-1.05096672240176	0.240182332260118	-0.844386454715911	0.129849259822931	0.620568437887529	-1.10846001218651	0.348009370664909	-0.585946312189325	1.36920988351381	-1.08265230351208	0.0718482065887893	-0.54085406070543	0.0614491701954095	1.98017401268776	-0.612010547002512	2.26187678177667	-0.865636425197071	2.08668466532488
Glycolic acid	-0.819328096098391	0.779280669050323	-0.533635034610231	-0.730771926315684	-0.494137006177121	-0.779625359709044	-0.635236893839164	0.931481269744975	1.75670325106693	-0.624965911890199	-0.245890789022107	-0.606489940488156	-0.633795079680632	5.15772059487145	-0.598852266944651	0.0470304543365479	-0.825537541428375	1.90457986208527	-0.828642264097552	-0.729322021866926	-0.638876139074628	-0.830194625430945	1.64060399886195	-0.83097080609794	-0.403574391781134	0.55017852218067	-0.806909205432444	0.588744395028302	-0.831358896431139	-0.337351633432144	-0.794230801448706	-0.831552941597439	-0.831649964181187	0.548484323392332	1.85067223208998	-0.0949503035777115	-0.386179562259097	0.00364684032166119	0.0679058828380398	-0.0228104185566767	0.318783737637487	-0.656684885353306	-0.130278080984078	-0.164225602820536	0.168003539080475	-0.651424144183514	0.985295780578682	-0.580109676923182	-0.578135968387715	0.0790235976635032	-0.515408723734715	-0.604081141163551	0.544312133366951	1.3532507281525	0.157358731286435	0.0240915522738553	-0.18605467192107	-0.742856990074962	4.31610389854104	-0.330965218156592	0.0458933558313606	-0.412626322507481	1.16198868816633	-0.504698199459862	-0.610637038550018	-0.803409982680453	-0.551998750455568	0.933526676274638	-0.545230159355797	-0.183492163418962	0.791201077301797	0.0660879360627239	-0.0373119122742264	-0.00521089223354798	-0.0525875826572009	-0.482430808284408	-0.775072978602546	0.357074839403166	1.62054532190021	-0.0469682737412703	-0.048839517721594	-0.106253779075698	-0.308085380437414	-0.749748367164916	0.0354294054674154	0.0130485571957585	0.111627152228261	-0.394251214843393	-0.423760755644019