{"text_format":"3","workbook":"xls","n_sheets":1,"sheets":["finalbcp_output"],"read":"whole","date_system":"1900","formulas":"cached_only"}

{"sheet":"finalbcp_output","index":0,"n_rows":226,"n_cols":20,"rows_kept":226,"flags":["formulas_cached_only"]}
["new ones","replacing with these molecules","R61","L61","L62","L63","D61","rho61","R71","L71","L72","L73","D71","rho71","R81","L81","L82","L83","D81","rho81"]
["mol01","2-chloro-4fluorobenzaldehyde",0.779189407,-1.052939646,-1.006325724,1.983328349,-0.075937022,0.405508965,1.39319994,-0.538237899,-0.488473933,0.359594997,-0.667116836,0.265119644,1.361294124,-0.7390888,-0.727622439,0.515674921,-0.951036318,0.275425314]
["mol02","4-chloro-2-fluorobenzaldehyde",0.781912485,-1.026978117,-0.991402578,1.924730962,-0.093649733,0.401244333,1.390640548,-0.540752622,-0.493787556,0.35855344,-0.675986738,0.266410108,1.361856652,-0.767837285,-0.757960829,0.53239987,-0.993398243,0.281122914]
["mol03","cyclooctanecarbaldehyde",0.77594433,-1.05079039,-1.029148686,2.06900093,-0.010938146,0.405421012,1.489562964,-0.482977838,-0.45717074,0.361116683,-0.579031895,0.248366164,1.361488257,-0.729287757,-0.723741714,0.51179148,-0.941237992,0.273850104]
["mol04","p-chlorobenzaldehyde",0.780932509,-1.0332928,-0.999092981,1.949626783,-0.082758998,0.401977496,1.405529911,-0.551058438,-0.502518523,0.35941694,-0.69416002,0.269629329,1.360791381,-0.739575955,-0.730536361,0.515874965,-0.95423735,0.275562003]
["mol05","m-chlorobenzaldehyde",0.780049795,-1.038216436,-1.002995086,1.968438402,-0.07277312,0.402974873,1.407837527,-0.546600857,-0.500425536,0.36062493,-0.686401463,0.267970585,1.361289883,-0.741135769,-0.732113694,0.516890072,-0.956359391,0.275834378]
["mol06","o-chlorobenzaldehyde",1.401240421,-0.537107873,-0.491721068,0.360717384,-0.668111556,0.264899741,0.78154535,-1.025912346,-0.994489374,1.935943071,-0.084458648,0.401023413,1.360743695,-0.771291017,-0.761735597,0.534464098,-0.998562515,0.281973052]
["mol07","2-chloro-3-pyridinecarboxaldehyde",1.395614717,-0.534658078,-0.490114502,0.361006994,-0.663765587,0.264038651,0.781211871,-1.029486952,-0.995532113,1.941794442,-0.083224622,0.40169369,1.362814328,-0.776364719,-0.766431999,0.538485831,-1.004310888,0.282625532]
["mol08","1-3-p-methadien-7-al",0.784914282,-1.007316023,-0.979266472,1.867217462,-0.119365034,0.396747932,1.40638214,-0.557691949,-0.499537718,0.355733493,-0.701496174,0.27261874,1.357837112,-0.732593905,-0.723383949,0.509780557,-0.946197297,0.274500842]
["mol09","1-piperazinecarbaldehyde",0.94108501,-0.67075027,-0.604988233,0.421891884,-0.853846619,0.314371035,0.792241037,-1.024732271,-0.976734658,1.698191023,-0.303275906,0.400912561,1.354154716,-0.752636958,-0.734001621,0.518645447,-0.967993132,0.277783945]
["mol10","2-4-dimethyl-3-cyclohexenylcarbaldehyde",1.39888135,-0.566769541,-0.506220703,0.353793421,-0.719196823,0.276323065,0.787445781,-0.991323589,-0.966888993,1.818058849,-0.140153732,0.393620987,1.34851917,-0.746750576,-0.737233935,0.515302152,-0.96868236,0.278296003]
["mol11","2-4-dimethylbenzaldehyde",1.415140024,-0.549071349,-0.497276376,0.357077888,-0.689269837,0.269397546,0.783509284,-1.012990127,-0.986171281,1.896026203,-0.103135204,0.398354484,1.353745959,-0.748566011,-0.740309872,0.517746362,-0.971129521,0.278323314]
["mol12","2-5-dimethylbenzaldehyde",1.417996095,-0.546109467,-0.496554747,0.357873842,-0.684790372,0.268322181,0.782970319,-1.015226966,-0.988356844,1.907819736,-0.095764073,0.398778593,1.354038781,-0.749694606,-0.741498775,0.518656931,-0.97253645,0.278530188]
["mol13","2-6-dimethylbenzaldehyde",1.415430222,-0.547321986,-0.493544721,0.3561109,-0.684755807,0.268844268,0.784187008,-1.010270881,-0.983387707,1.885060226,-0.108598361,0.397169657,1.35175111,-0.754170667,-0.744650728,0.520075082,-0.978746313,0.279804099]
["mol14","2-naphthaldehyde",0.781530058,-1.028417302,-0.996548548,1.937554418,-0.087411432,0.400964242,1.410726145,-0.550362895,-0.501144053,0.358976784,-0.692530164,0.269411727,1.360018652,-0.737865356,-0.729121304,0.514333548,-0.952653113,0.275369504]
["mol15","1-naphthaldehyde",1.41460266,-0.542940498,-0.493459197,0.358594113,-0.677805581,0.267163115,0.783123839,-1.014376108,-0.9859554,1.90156707,-0.098764438,0.398944968,1.350991207,-0.753153648,-0.745160256,0.519816316,-0.978497588,0.27962916]
["mol16","2-ethylbutyraldehyde",0.776840659,-1.046703464,-1.020800818,2.046338007,-0.021166276,0.404442425,1.479862444,-0.495611659,-0.470858548,0.359783885,-0.606686321,0.25304336,1.362061976,-0.726673719,-0.720815775,0.510545517,-0.936943977,0.273111094]
["mol17","2-furaldehyde, FURFURAL; Furan-2-carbaldehyde; 2-Furancarboxaldehyde; Furaldehyde",1.339852324,-0.597197289,-0.523412083,0.352776974,-0.767832398,0.282283951,0.785088208,-1.021797248,-0.97877889,1.857320714,-0.143255424,0.399931674,1.363735223,-0.753436658,-0.742569968,0.524750568,-0.971256059,0.277721234]
["mol18","2-methylbutanal",0.776677438,-1.047744248,-1.021217866,2.049338669,-0.019623444,0.404706286,1.47900002,-0.4968661,-0.472862352,0.360569184,-0.609159269,0.253327918,1.361802241,-0.72794844,-0.722030933,0.510800937,-0.939178436,0.273444303]
["mol19","2-pyridinecarbaldehyde, Picolinaldehyde, Pyridine-2-aldehyde",1.408774358,-0.554744599,-0.505865191,0.368750636,-0.691859154,0.267610967,0.779515812,-1.038869809,-1.007995877,1.987973271,-0.058892415,0.40246468,1.367747552,-0.762713904,-0.752907978,0.534146463,-0.98147542,0.27909413]
["mol20","2-methylpentanal",0.776675392,-1.048144177,-1.021548935,2.049668559,-0.020024553,0.404748093,1.479089742,-0.495701481,-0.471589999,0.360441515,-0.606849965,0.253059577,1.36179969,-0.727576394,-0.721583175,0.510648912,-0.938510657,0.273358742]
["mol21","2-thiophenecarbaldehyde",1.363903714,-0.564851373,-0.506172456,0.354442692,-0.716581137,0.274838943,0.784063082,-1.021728884,-0.98147349,1.874610633,-0.128591742,0.400138435,1.35999058,-0.74594302,-0.735457932,0.517541678,-0.963859274,0.276839815]
["mol22","3-3-dimethyl-2-butanone, Pinacolone; 3,3-dimethylbutan-2-one",1.501960622,-0.467712351,-0.449838007,0.364397042,-0.553153315,0.242607624,0.781264417,-1.026419555,-1.000865776,1.94036827,-0.086917061,0.400565937,1.469544982,-0.478318378,-0.459907725,0.355272821,-0.582953283,0.247723883]
["mol23","3-4-dihydro-2H-pyran-2-carbaldehyde",1.443393958,-0.529243041,-0.491861996,0.372896781,-0.648208256,0.258347315,0.77623968,-1.055783976,-1.025060702,2.058932528,-0.02191215,0.406510021,1.369474793,-0.752128061,-0.74430765,0.530153591,-0.966282119,0.276923955]
["mol24","3-5-dimethylbenzaldehyde",0.781431864,-1.028880596,-0.997951304,1.941046235,-0.085785665,0.400944348,1.413081894,-0.550390722,-0.502617213,0.358765388,-0.694242547,0.26958527,1.35985579,-0.737000726,-0.728243343,0.514140117,-0.951103952,0.275170812]
["mol25","4-chloro-3-fluorobenzaldehyde",0.780252466,-1.038120392,-1.001198052,1.963034885,-0.076283558,0.402948651,1.402584511,-0.548530712,-0.501388802,0.360699362,-0.689220153,0.268444336,1.361400447,-0.742757992,-0.733611985,0.517834215,-0.958535762,0.276145867]
["mol26","3-fluoro-4-methylbenzaldehyde",0.781021096,-1.032748155,-0.998857007,1.947847103,-0.083758059,0.401854726,1.405445862,-0.551425177,-0.502798977,0.359675073,-0.694549081,0.269606629,1.360492765,-0.740708098,-0.731609516,0.516260212,-0.956057402,0.275805995]
["mol27","3-methyl-2-butenal",1.401543794,-0.566440235,-0.513260517,0.350850349,-0.728850403,0.276008894,0.784598638,-1.01051721,-0.979468254,1.871164599,-0.118820865,0.397480263,1.351744227,-0.742761131,-0.734351408,0.514304935,-0.962807604,0.277175077]
["mol28","3-methylbenzaldehyde, m-tolualdehyde",1.412250652,-0.550102324,-0.502287802,0.359017156,-0.69337297,0.269426767,0.781254038,-1.03012544,-0.998366604,1.94420969,-0.084282354,0.40123773,1.359906597,-0.737394635,-0.728636011,0.514410207,-0.95162044,0.275244207]
["mol29","3-thiophenecarbaldehyde",1.393030055,-0.557111897,-0.504744784,0.356017129,-0.705839552,0.271768079,0.782408427,-1.028026897,-0.990849081,1.914202625,-0.104673354,0.400896318,1.359894255,-0.741487475,-0.732124824,0.515722031,-0.957890268,0.276036669]
["mol30","4-4-dimethoxy-2-butanone",0.782075726,-1.027906185,-0.99806288,1.919667326,-0.106301738,0.400645854,1.469804966,-0.496308006,-0.474093415,0.354311953,-0.616089468,0.253910699,1.46971372,-0.481445015,-0.462159191,0.359051086,-0.58455312,0.247913602]
["mol31","4-methoxy-3-methylbenzaldehyde",0.783174389,-1.020357185,-0.990760647,1.903250844,-0.107866988,0.399360869,1.405778246,-0.558210747,-0.503487962,0.356545436,-0.705153273,0.27235961,1.35919619,-0.7346685,-0.725803848,0.512155361,-0.948316988,0.274757873]
["mol32","5-fluoro-2-methylbenzaldehyde",1.40802316,-0.547248163,-0.497205932,0.358961371,-0.685492725,0.26830949,0.781186328,-1.034071027,-0.999314011,1.946858219,-0.086526819,0.401398266,1.361278947,-0.739297096,-0.729275689,0.516049373,-0.952523412,0.275544901]
["mol33","5-hydroxymethyl-furfural, 5-Hydroxymethyl-2-furaldehyde, 5-(hydroxymethyl)furan-2-carbaldehyde, 5-(Hydroxymethyl)furfural; 5-(Hydroxymethyl)-2-furaldehyde",1.338616186,-0.597864246,-0.523786467,0.352472175,-0.769178538,0.282571128,0.785254686,-1.021330839,-0.977672803,1.854035783,-0.144967858,0.399863993,1.363352791,-0.751790553,-0.740870378,0.523547523,-0.969113408,0.277429166]
["mol34","5-methyl-2-furaldehyde",1.338198904,-0.601123748,-0.523963064,0.351616352,-0.77347046,0.283674176,0.786220842,-1.015718359,-0.974304032,1.835015229,-0.155007162,0.398724027,1.3627366,-0.750893682,-0.739955712,0.522985859,-0.967863535,0.277299676]
["mol35","6-methyl-2-pyridinecarbaldehyde",1.410032692,-0.555031747,-0.505833878,0.368526256,-0.692339369,0.267758117,0.779778312,-1.03726099,-1.007064585,1.982850091,-0.061475484,0.402104729,1.367306226,-0.761613448,-0.751814823,0.533566299,-0.979861972,0.278916577]
["mol36","acetone",0.780975131,-1.036872639,-0.999821186,1.938938969,-0.097754856,0.402394294,1.467434171,-0.488543356,-0.468820578,0.355839167,-0.601524768,0.250920593,1.467434171,-0.488543356,-0.468820578,0.355839167,-0.601524768,0.250920593]
["mol37","benzaldehyde",1.411192664,-0.550191898,-0.502351142,0.359283234,-0.693259806,0.26939807,1.360176689,-0.738084078,-0.729273589,0.514692534,-0.952665132,0.275355836,0.781082044,-1.031275199,-0.999068927,1.94761273,-0.082731397,0.401497599]
["mol38","butyraldehyde",0.777064458,-1.046579702,-1.017487572,2.035474481,-0.028592793,0.404763684,1.467027761,-0.504188702,-0.476904926,0.357422735,-0.623670892,0.255684262,1.361072109,-0.732321908,-0.726206469,0.511644222,-0.946884156,0.274497515]
["mol39","chloroacetaldehyde",1.431508986,-0.508877867,-0.481822475,0.369208977,-0.621491364,0.25395459,0.774739837,-1.069407718,-1.026975306,2.084018773,-0.01236425,0.409166115,1.368307133,-0.758986104,-0.749950599,0.531678182,-0.977258521,0.278391598]
["mol40","chloroacetone",1.441353358,-0.490195136,-0.464388096,0.370172899,-0.584410333,0.247367109,0.780294582,-1.041935894,-1.003311,1.950371789,-0.094875105,0.404252937,1.480690025,-0.494709477,-0.473153431,0.348719192,-0.619143716,0.254375455]
["mol41","cyclohexanecarbaldehyde",0.776883439,-1.047055323,-1.022009855,2.046195582,-0.022869596,0.404441864,1.482021258,-0.493135298,-0.468546795,0.35910879,-0.602573303,0.252290877,1.362726579,-0.726345198,-0.720695544,0.510665231,-0.936375512,0.272994322]
["mol42","3-chloro-4-fluorobenzaldehyde",1.402651114,-0.548543095,-0.500067736,0.360164526,-0.688446305,0.268600405,0.780493767,-1.03703609,-1.000983154,1.957690171,-0.080329072,0.402796727,1.361303931,-0.742287056,-0.733161311,0.517395293,-0.958053074,0.276066703]
["mol43","2-4-6-trifluorobenzaldehyde",1.371459785,-0.528887058,-0.481967787,0.355187989,-0.655666856,0.26261995,0.781004281,-1.044551045,-0.99279245,1.937257709,-0.100085786,0.404415001,1.362745831,-0.769405069,-0.757217488,0.532953617,-0.993668939,0.281345784]
["mol44","E-2-methyl-2-butenal",1.415124495,-0.553426327,-0.501972491,0.359362304,-0.696036513,0.270781621,0.781804639,-1.026393773,-0.996956878,1.936053298,-0.087297353,0.399999601,1.358764126,-0.732998049,-0.723557348,0.512052906,-0.944502491,0.274337212]
["mol45","fluoroacetone",1.437022657,-0.522873582,-0.480793269,0.376402274,-0.627264577,0.254638212,0.777706606,-1.052400814,-1.009964558,2.006015038,-0.056350335,0.407523577,1.471919788,-0.483966939,-0.466423667,0.352631042,-0.597759564,0.250316759]
["mol46","trans-4-methoxycinnamaldehyde, trans-p-methoxycinnamaldehyde",0.78667689,-0.997442386,-0.972194742,1.838238966,-0.131398161,0.393400731,1.399744204,-0.566061265,-0.507257143,0.350069567,-0.723248841,0.275755668,1.357566228,-0.743431039,-0.732675731,0.515063588,-0.961043182,0.276851542]
["mol47","heptanal",0.777270306,-1.047724208,-1.015367754,2.032045435,-0.031046528,0.404543594,1.467055819,-0.504177517,-0.484095987,0.356201109,-0.632072395,0.256901371,1.36172649,-0.729919183,-0.72410054,0.511163396,-0.942856327,0.273828125]
["mol48","hexanal",0.777267399,-1.047813393,-1.015425039,2.031943326,-0.031295106,0.40457338,1.467005435,-0.504161451,-0.484106315,0.356234427,-0.632033338,0.256893354,1.361697674,-0.729918523,-0.724087788,0.511196012,-0.942810299,0.273825787]
["mol49","hydroxyacetone",1.469222506,-0.506668327,-0.467309436,0.372728532,-0.601249231,0.250302127,0.781241844,-1.029089545,-1.002084076,1.936799742,-0.09437388,0.401910579,1.472032828,-0.490718487,-0.47076788,0.352364684,-0.609121683,0.252723229]
["mol50","isonicotinaldehyde, 4-pyridinecarboxaldehyde",1.410557393,-0.54285143,-0.50283848,0.361825534,-0.683864376,0.266609987,0.778959551,-1.043471038,-1.005726858,1.992288075,-0.056909822,0.403858992,1.362050706,-0.744376912,-0.735308006,0.519016229,-0.960668689,0.276406015]
["mol51","isovaleraldehyde, 3-methylbutyraldehyde, 3-methylbutanal",0.777746365,-1.041478996,-1.011011604,2.021255428,-0.031235172,0.40343602,1.469899118,-0.50171645,-0.482500853,0.3554986,-0.628718703,0.256141526,1.358957841,-0.736439263,-0.730634904,0.513994435,-0.953079731,0.275487188]
["mol52","m-fluorobenzaldehyde, 3-fluorobenzaldehyde",1.407434908,-0.547328865,-0.501160066,0.360760672,-0.687728259,0.268080907,0.780107062,-1.037933849,-1.002431995,1.967131258,-0.073234586,0.402844623,1.361277673,-0.741191214,-0.732200161,0.516905305,-0.95648607,0.275874364]
["mol53","m-hydroxybenzaldehyde",1.410970985,-0.548501137,-0.502628905,0.360239761,-0.690890281,0.268614967,0.7805693,-1.03430067,-1.001006394,1.958716202,-0.076590862,0.402019125,1.36078104,-0.740359989,-0.731479808,0.516365507,-0.95547429,0.275762618]
["mol54","p-butylbenzaldehyde, 4-butylbenzaldehyde",0.781854906,-1.02707651,-0.996027822,1.931314278,-0.091790054,0.400654992,1.409734124,-0.553421222,-0.503339359,0.358113439,-0.698647142,0.270605985,1.359806915,-0.736664356,-0.727850659,0.513559872,-0.950955143,0.275109556]
["mol55","methacrylaldehyde",1.416362251,-0.55082646,-0.505811096,0.360711826,-0.695925729,0.269655557,0.78056623,-1.032145696,-1.000325405,1.961979774,-0.070491328,0.401166437,1.359648945,-0.738122077,-0.728875888,0.515306131,-0.951691834,0.275267586]
["mol56","methoxyacetone",0.779542899,-1.036478536,-1.007636532,1.972639513,-0.071475555,0.403708041,1.471633474,-0.506158427,-0.465699335,0.37358673,-0.598271032,0.250297853,1.46838918,-0.484188435,-0.46579101,0.354647737,-0.595331707,0.249938281]
["mol57","p-isobutylbenzaldehyde",0.781801171,-1.02722407,-0.996076156,1.932271094,-0.091029131,0.400679915,1.409741856,-0.553410683,-0.503515511,0.35819261,-0.698733584,0.270588198,1.359840073,-0.736780572,-0.727982087,0.513667239,-0.95109542,0.275128618]
["mol58","2-hydroxy-5-methylisophthalaldehyde",0.77956908,-1.052826879,-1.002737231,1.973065599,-0.082498511,0.405477007,1.391289078,-0.540554502,-0.489847936,0.358140502,-0.672261936,0.266137044,1.360685255,-0.73136768,-0.720017045,0.511250332,-0.940134393,0.273902833]
["mol59","3-ethoxy-4-hydroxybenzaldehyde",1.405444714,-0.556122408,-0.503936908,0.357726165,-0.702333151,0.271392536,0.782417835,-1.024546677,-0.993640358,1.919251395,-0.09893564,0.400145758,1.359970426,-0.738217141,-0.729269902,0.514570668,-0.952916374,0.275393923]
["mol60","2-5-dimethoxybenzaldehyde",1.399372075,-0.546691502,-0.496148708,0.358295782,-0.684544428,0.268483583,0.784272826,-1.00747515,-0.983125934,1.881466323,-0.10913476,0.397271124,1.360704331,-0.771895276,-0.762384059,0.534798916,-0.999480419,0.282081708]
["mol61","3-5-dimethoxybenzaldehyde",0.781067539,-1.03030484,-0.999391335,1.949516099,-0.080180076,0.401157843,1.41160115,-0.549989918,-0.503804634,0.360112821,-0.693681732,0.269084597,1.360578407,-0.741629916,-0.732719106,0.517182332,-0.95716669,0.276004865]
["mol62","3-4-dimethoxybenzaldehyde",0.782759661,-1.022819058,-0.992191862,1.911632816,-0.103378104,0.399847503,1.404714661,-0.556961076,-0.503134199,0.357384159,-0.702711116,0.271714605,1.359542691,-0.737030946,-0.728106539,0.513635516,-0.951501969,0.275199108]
["mol63","o-fluorobenzaldehyde",1.395566142,-0.540521538,-0.494081165,0.358740924,-0.675861779,0.266346442,0.781979477,-1.025203144,-0.991586862,1.92429893,-0.092491075,0.400851375,1.361444041,-0.766912609,-0.757235496,0.53154823,-0.992599874,0.281034064]
["mol64","o-tolualdehyde, 2-Methylbenzaldehyde",0.782167787,-1.027480372,-0.995822897,1.927434537,-0.095868732,0.400050046,1.411718073,-0.549425742,-0.497825062,0.357373155,-0.68987765,0.269407682,1.360249648,-0.736680694,-0.726747632,0.514196021,-0.949232305,0.275107111]
["mol65","octanal",1.467019256,-0.504169876,-0.484080552,0.356221215,-0.632029213,0.256899801,0.777274678,-1.047709449,-1.015357521,2.0319561,-0.031110869,0.404541204,1.361706639,-0.729866832,-0.724044774,0.511154333,-0.942757273,0.273816109]
["mol66","p-chloromethylbenzaldehyde",0.780766398,-1.033384811,-0.999734681,1.953736026,-0.079383466,0.401947305,1.408997562,-0.54941208,-0.502415844,0.359718073,-0.692109852,0.269057128,1.360594524,-0.73998445,-0.731068988,0.515849231,-0.955204207,0.275691482]
["mol67","p-ethylbenzaldehyde",0.781808502,-1.02722409,-0.996087795,1.932241068,-0.091070817,0.400692763,1.4097815,-0.55324837,-0.503261728,0.358189332,-0.698320766,0.270532499,1.359731399,-0.736891104,-0.728076967,0.513709216,-0.951258855,0.275158222]
["mol68","p-fluorobenzaldehyde",0.781260685,-1.031849687,-0.998318112,1.942257402,-0.087910397,0.401738824,1.404983735,-0.552196432,-0.501983779,0.358959272,-0.695220939,0.270025833,1.360585631,-0.738824236,-0.729840916,0.51515657,-0.953508582,0.275445588]
["mol69","p-hydroxybenzaldehyde",0.782792744,-1.02291829,-0.992240602,1.910653458,-0.104505434,0.399941517,1.403721728,-0.557587575,-0.503152311,0.357141315,-0.703598571,0.272068119,1.359527748,-0.736190165,-0.727259198,0.51312865,-0.950320713,0.275016889]
["mol70","p-methylbenzaldehyde, p-tolualdehyde",0.781813704,-1.027309953,-0.996090778,1.932104976,-0.091295755,0.400705216,1.409457286,-0.553459093,-0.503354564,0.358174471,-0.698639186,0.270603473,1.35978533,-0.736838534,-0.72798449,0.513734484,-0.951088539,0.275133044]
["mol71","p-methylthiobenzaldehyde",0.782654387,-1.02321197,-0.991922301,1.913801257,-0.101333014,0.399927323,1.404626907,-0.556750859,-0.504088569,0.357498976,-0.703340452,0.271779003,1.359657627,-0.736962638,-0.727933628,0.513627533,-0.951268733,0.27515833]
["mol72","pentanal, valeraldehyde",0.777249382,-1.047946905,-1.015459257,2.032276037,-0.031130125,0.404599907,1.467017051,-0.503976815,-0.48393358,0.356227282,-0.631683113,0.256834352,1.36168058,-0.730011887,-0.724178696,0.51113936,-0.943051223,0.273854097]
["mol73","phenylpropiolaldehyde",0.785075552,-1.030104827,-0.965105733,1.848936267,-0.146274293,0.40038191,1.300023589,-0.566422317,-0.530061925,0.330198692,-0.76628555,0.280452399,1.363913006,-0.761613336,-0.74780814,0.529661341,-0.979760135,0.278959016]
["mol74","pivalaldehyde, 2-2-dimethylpropanal",1.485799103,-0.493286844,-0.472413247,0.36333885,-0.602361241,0.252065189,0.776366953,-1.04923742,-1.023627315,2.059072912,-0.013791823,0.404884686,1.362566204,-0.724754854,-0.71920527,0.510936154,-0.933023971,0.27257306]
["mol75","propionaldehyde",1.46827084,-0.503868804,-0.484029548,0.356805353,-0.631092998,0.256662496,0.776990676,-1.049647518,-1.016904591,2.03776923,-0.02878288,0.404969881,1.361937061,-0.729465202,-0.723633386,0.51076475,-0.942333839,0.273714464]
["mol76","salicylaldehyde, o-hydroxybenzaldehyde",1.398792721,-0.544561194,-0.494996098,0.358265355,-0.681291937,0.267817852,0.783416592,-1.014348923,-0.986700894,1.897126711,-0.103923106,0.398681998,1.360913397,-0.769507673,-0.760044846,0.532967174,-0.996585345,0.281652279]
["mol77","trans-2-hexenal",0.783508646,-1.0154565,-0.983275023,1.893777807,-0.104953715,0.398420649,1.404257455,-0.563186253,-0.514422266,0.352269463,-0.725339056,0.274702532,1.353260613,-0.745034545,-0.736701983,0.516011145,-0.965725383,0.277480975]
["mol78","4-fluoro-3-methoxybenzaldehyde",1.406564666,-0.550753173,-0.502413623,0.35957762,-0.693589175,0.269387195,0.780898444,-1.03346465,-0.999795771,1.950797511,-0.08246291,0.401945824,1.360968526,-0.74011598,-0.731138482,0.516174295,-0.955080167,0.27568324]
["mol79","3-quinolinecarbaldehyde",0.781675627,-1.028430595,-0.994377652,1.931817467,-0.09099078,0.40125637,1.402479012,-0.549874212,-0.501393978,0.358274007,-0.692994182,0.269687822,1.360663396,-0.743021928,-0.73406412,0.517286443,-0.959799605,0.276328144]
["mol80","7-quinolinecarbaldehyde",0.780283554,-1.036427041,-1.0012668,1.963113223,-0.074580618,0.402575601,1.410888502,-0.546393883,-0.49963943,0.360356206,-0.685677106,0.267839571,1.360390448,-0.737966932,-0.729073277,0.514558004,-0.952482205,0.275358191]
["mol81","4-quinolinecarbaldehyde, cinchoninaldehyde",1.41456161,-0.536289926,-0.495234918,0.361108254,-0.670416589,0.264636897,0.780705528,-1.028269563,-0.994474481,1.952205517,-0.070538528,0.401575387,1.353953385,-0.757552356,-0.749243279,0.523558229,-0.983237406,0.280145786]
["mol82","cyclohexanone",1.474355405,-0.487181458,-0.468788585,0.35871268,-0.597257362,0.250856655,1.474355405,-0.487181458,-0.468788585,0.35871268,-0.597257362,0.250856655,0.781680807,-1.024471951,-0.997380893,1.931424995,-0.090427848,0.400460579]
["mol83","p-ethoxybenzaldehdye, 4-ethoxybenzaldehyde",0.782982386,-1.021995511,-0.991465719,1.90696041,-0.106500821,0.399696025,1.403826192,-0.559452941,-0.504354768,0.356659272,-0.707148437,0.272730558,1.35917648,-0.733815437,-0.724820463,0.511670163,-0.946965737,0.274560119]
["mol84","o-ethoxybenzaldehyde",0.783989051,-1.009896373,-0.984339655,1.88649015,-0.107745878,0.397781683,1.400964577,-0.544849669,-0.494689865,0.357940741,-0.681598793,0.267945661,1.360232421,-0.770827962,-0.761282208,0.533953548,-0.998156621,0.281943379]
["mol85","acetaldehyde",0.77690997,-1.051911875,-1.016091951,2.034339507,-0.033664319,0.40565399,1.457786188,-0.505026458,-0.483208415,0.353496136,-0.634738737,0.256886463,1.360855454,-0.736222848,-0.729913952,0.512996801,-0.953139999,0.275302922]
["mol86","3-chloro-4-hydroxybenzaldehyde",0.781803763,-1.029501535,-0.996223375,1.930291388,-0.095433522,0.40135523,1.400162298,-0.554899565,-0.501787176,0.358372751,-0.698313991,0.270970013,1.360714419,-0.738620944,-0.729523912,0.515037974,-0.953106882,0.275363256]
["mol87","5-chlorosalicylaldehyde",0.782425405,-1.021367914,-0.990551157,1.916727347,-0.095191724,0.400141394,1.395410041,-0.54113012,-0.493294089,0.359294513,-0.675129695,0.266505409,1.362083068,-0.771662387,-0.762001417,0.534741212,-0.998922592,0.281902531]
["mol88","2-4-dimethoxybenzaldehyde",0.78564241,-1.002161539,-0.977915736,1.851797132,-0.128280142,0.396285171,1.394492166,-0.55162646,-0.495506492,0.355955831,-0.691177121,0.270407232,1.359466425,-0.767843118,-0.758234432,0.531879026,-0.994198524,0.28141464]
["mol89","decanal",0.777277333,-1.047702769,-1.015371752,2.031995387,-0.031079134,0.404533901,1.467022823,-0.50418019,-0.484089029,0.356223159,-0.632046061,0.256906922,1.361713753,-0.729868219,-0.724045976,0.5111552,-0.942758995,0.273815105]
["mol90","isobutyraldehyde, 2-methylpropanal, 2-methylpropionaldehyde",0.776670788,-1.047003736,-1.020517169,2.048856461,-0.018664444,0.404670557,1.477234819,-0.500202629,-0.475856588,0.360806307,-0.615252909,0.254351213,1.361641376,-0.728236644,-0.722444247,0.510658566,-0.940022325,0.273519203]
["mol91","2-2-3-trimethylsuccinimide",1.517237662,-0.475384705,-0.452171202,0.359997134,-0.567558773,0.245545543,0.784572437,-1.061842333,-1.00906267,1.845487503,-0.225417499,0.408902377,0.973271659,-0.611139671,-0.598949052,0.360089567,-0.849999156,0.300049406]
["mol92","maleimide",0.999609512,-0.619516959,-0.590499329,0.34163529,-0.868380997,0.29894465,0.78393271,-1.077271619,-1.005437675,1.85510764,-0.227601654,0.410472009,1.44715128,-0.525198357,-0.482873453,0.360190607,-0.647881203,0.260482902]
["mol93","4-methyl-2-pentanone, isobutyl methyl ketone, isopropylacetone, methyl isobutyl ketone",0.782174977,-1.026219893,-0.996521217,1.919045967,-0.103695143,0.400075762,1.464475239,-0.489608445,-0.468677758,0.356863451,-0.601422751,0.251179876,1.482951907,-0.48097279,-0.462347555,0.357708785,-0.58561156,0.248299823]
["mol94","2-4-dimethyl-3-pentanone",0.781261287,-1.016434085,-1.002446561,1.945512443,-0.073368202,0.39933323,1.487077461,-0.479029046,-0.459852567,0.362962859,-0.575918753,0.247117805,1.487077504,-0.479028966,-0.459852533,0.362962915,-0.575918584,0.247117775]
["mol95","n-chlorosuccinimide",0.992923941,-0.570170836,-0.550802324,0.357270713,-0.763702447,0.285955915,0.779807335,-1.095512839,-1.025363735,1.933791253,-0.187085321,0.416568634,1.500807599,-0.48245712,-0.454065858,0.351503369,-0.585019609,0.248475545]
["mol96","n-ethylmaleimide",1.013491941,-0.630013458,-0.58760764,0.341749338,-0.87587176,0.300596337,0.785103764,-1.064788196,-0.999588814,1.836662056,-0.227714954,0.407772492,1.445412394,-0.523336436,-0.482225844,0.360305356,-0.645256924,0.260151648]
["mol97","n-methylmaleimide",1.012022063,-0.62827851,-0.585987794,0.341588936,-0.872677368,0.300153169,0.78459891,-1.067224764,-1.001284872,1.84586742,-0.222642215,0.408398035,1.44602359,-0.523277649,-0.482058745,0.359968725,-0.645367669,0.260114238]
["mol98","2-butanone",0.780929946,-1.030851412,-1.001624826,1.944171075,-0.088305163,0.401595757,1.478505344,-0.487340819,-0.462153845,0.360336624,-0.589158039,0.249369105,1.467054217,-0.486123711,-0.467268534,0.355752466,-0.597639779,0.250254836]
["mol99","3-methyl-2-butanone",1.489778816,-0.480788949,-0.461815613,0.362832638,-0.579771924,0.247582605,0.781221439,-1.026542596,-1.001453525,1.940312314,-0.087683808,0.400851748,1.464473803,-0.486920139,-0.466703666,0.356090012,-0.597533793,0.25043442]
["mol100","3-pentanone",0.780779927,-1.024431002,-1.003394104,1.951508256,-0.07631685,0.400794167,1.478297429,-0.484849383,-0.460643206,0.360277982,-0.585214606,0.248681508,1.478303508,-0.484843103,-0.460636488,0.360276611,-0.58520298,0.248679149]
["mol101","succinimide",0.978849719,-0.612105478,-0.59513273,0.356504663,-0.850733546,0.299209166,0.783874932,-1.074983591,-1.012223216,1.852578039,-0.234628768,0.411482071,1.496065574,-0.484234263,-0.455504122,0.355876255,-0.58386213,0.248264396]
["mol102","2-fluoro-p-anisaldehyde, 2-fluoro-4-methoxybenzaldehyde",0.784006956,-1.014962532,-0.983636909,1.881623465,-0.116975977,0.398869644,1.360270569,-0.764030312,-0.754314266,0.529464285,-0.988880293,0.280563188,1.389294517,-0.548490179,-0.495499143,0.356455494,-0.687533828,0.269265744]
["mol103","3-fluoro-4-methoxybenzaldehyde, 3-fluoro-p-anisaldehyde",0.782182673,-1.027092294,-0.994229404,1.922575446,-0.098746252,0.400770394,1.360216324,-0.738285245,-0.729266427,0.51456686,-0.952984812,0.275387353,1.401265126,-0.555778159,-0.502334605,0.358281348,-0.699831416,0.271148415]
["mol104","2-3-4-trihydroxybenzaldehyde",1.392279944,-0.550540048,-0.497005048,0.357096083,-0.690449014,0.269805768,0.784442776,-1.009827753,-0.982481909,1.875018314,-0.117291348,0.397826119,1.360923958,-0.767511123,-0.757978056,0.531679021,-0.993810159,0.281232979]
["mol105","2-4-6-trihydroxybenzaldehyde, formylphlorglucinol, phloroglucinaldehyde",1.381359286,-0.58371176,-0.507812766,0.343640341,-0.747884185,0.283271903,0.797630858,-0.932926246,-0.928006176,1.634915345,-0.226017077,0.380780049,1.360743657,-0.785767028,-0.775949295,0.542387456,-1.019328867,0.284560188]
["mol106","2-hydroxy-5-methoxybenzaldehyde",0.783950324,-1.010418006,-0.984503125,1.887441458,-0.107479673,0.397853337,1.397736942,-0.546971462,-0.496671534,0.358347182,-0.685295814,0.268598551,1.361196978,-0.770339979,-0.76091951,0.533668153,-0.997591336,0.281759453]
["mol107","o-vanillin, 2-hydroxy-3-methoxybenzaldehyde, 2-hydroxy-m-anisaldehyde, 3-methoxysalicylaldehyde",1.397964077,-0.546195938,-0.497109354,0.358170485,-0.685134806,0.268296125,0.783364967,-1.014492948,-0.98647772,1.898216753,-0.102753916,0.39864745,1.361416209,-0.7685148,-0.759001863,0.532495117,-0.995021545,0.281406954]
["mol108","vanillin, 4-hydroxy-3-methoxybenzaldehyde, vanillaldehyde",1.405174075,-0.555804897,-0.503769474,0.357867151,-0.701707221,0.271297867,0.782340278,-1.025067803,-0.993953318,1.920850338,-0.098170783,0.400257058,1.360052674,-0.738280837,-0.729343645,0.514678161,-0.952946321,0.275399183]
["mol109","p-dimethylaminobenzaldehyde",0.785043064,-1.01058656,-0.982613204,1.864764977,-0.128434787,0.397355785,1.357814947,-0.730729851,-0.721599143,0.509145296,-0.943183698,0.274045367,1.400971724,-0.565750807,-0.505051464,0.354368603,-0.716433668,0.275113962]
["mol110","2-4-5-trimethylbenzaldehyde",0.783062361,-1.022328439,-0.991959766,1.908875764,-0.10541244,0.399024505,1.359424288,-0.734671997,-0.72482387,0.512897024,-0.946598844,0.274765739,1.410741716,-0.552853697,-0.499035385,0.356106259,-0.695782824,0.270725014]
["mol111","2-4-6-trimethylbenzaldehyde",1.413405064,-0.550611573,-0.494483088,0.355049728,-0.690044934,0.270077789,0.784999425,-1.006212873,-0.980089108,1.868487177,-0.117814804,0.396346348,1.351394185,-0.752543857,-0.742986368,0.518966013,-0.976564212,0.279488684]
["mol112","p-isopropylbenzaldehyde",0.781796926,-1.027373705,-0.996228283,1.932615946,-0.090986042,0.40071248,1.359829371,-0.736575359,-0.727786786,0.513675982,-0.950686163,0.275081224,1.409721954,-0.553228958,-0.503313319,0.358130046,-0.698412231,0.270561055]
["mol113","3-buten-2-one, methyl vinyl ketone",1.41832595,-0.53850896,-0.498475777,0.358810684,-0.678174052,0.265645273,0.785109053,-1.015373814,-0.978071201,1.854128738,-0.139316276,0.397801677,1.472787351,-0.484296857,-0.466578366,0.353827492,-0.597047731,0.249996099]
["mol114","cyclopentanone",0.778587333,-1.048400651,-1.021084958,2.000259199,-0.06922641,0.405085585,1.479292727,-0.476279157,-0.455823913,0.3627735,-0.56932957,0.246461801,1.479292881,-0.476278968,-0.455823754,0.3627735,-0.569329222,0.246461731]
["mol115","1-penten-3-one",1.484055529,-0.483226012,-0.467375674,0.356600869,-0.594000816,0.249772111,0.785974858,-1.006439922,-0.97487383,1.839263218,-0.142050534,0.396236542,1.416331678,-0.53515556,-0.495807147,0.359082115,-0.671880592,0.264653764]
["mol116","4-hydroxy-4-methyl-2-pentanone",0.782287874,-1.026786859,-0.994379378,1.915635923,-0.105530314,0.400154242,1.471691204,-0.491773867,-0.470047014,0.353917565,-0.607903315,0.252471945,1.470743598,-0.480239339,-0.463481112,0.359808494,-0.583911957,0.247991411]
["mol117","2-furyl-2-propanone",0.779932288,-1.041552727,-1.005449464,1.96174423,-0.085257961,0.403482217,1.475218188,-0.489776578,-0.469113221,0.352719813,-0.606169986,0.252017167,1.477882113,-0.463613782,-0.445523575,0.363133145,-0.546004212,0.240774407]
["mol118","6-methyl-5-hepten-2-one",0.781231154,-1.030067146,-1.001476617,1.938289095,-0.093254669,0.401386772,1.477162043,-0.487321954,-0.462472008,0.35996857,-0.589825392,0.249492405,1.467595351,-0.486171111,-0.466687914,0.355956118,-0.596902907,0.250179994]
["mol119","5-hydroxy-2-pentanone",0.781204347,-1.033949808,-0.999638232,1.936080721,-0.097507319,0.401958802,1.465868401,-0.488644335,-0.468007089,0.355744706,-0.600906718,0.2510072,1.473587181,-0.484548958,-0.466802347,0.359835352,-0.591515953,0.249464831]
["mol120","1-3-dichloro-2-propanone",0.777949751,-1.056294999,-1.00233545,2.00140948,-0.057220968999999997,0.406238606,1.452511419,-0.495489655,-0.478052086,0.36712431,-0.606417432,0.251435929,1.452442448,-0.495543485,-0.478149311,0.367118662,-0.606574134,0.251462592]
["mol121","1-1-dichloroacetone",1.422298554,-0.474118293,-0.46051531,0.380002465,-0.554631138,0.241689949,0.774675221,-1.079641419,-1.022742074,2.071239402,-0.031144092,0.411811263,1.487162431,-0.485011673,-0.464025834,0.347454069,-0.601583438,0.25105588]
["mol122","bromoacetone",0.779622144,-1.049071219,-1.0011545,1.965355362,-0.084870357,0.404761502,1.479122501,-0.491248211,-0.469768538,0.350786072,-0.610230677,0.252595395,1.427499829,-0.494676913,-0.48405672,0.36902694,-0.609706693,0.252113948]
["mol123","alpha-methylcinnamaldehyde",1.411539112,-0.55122194,-0.496626172,0.361026292,-0.68682182,0.269985241,0.782402445,-1.021743149,-0.995227091,1.924002718,-0.092967522,0.399321256,1.358032084,-0.735176844,-0.72588338,0.513050723,-0.948009501,0.274940991]
["mol124","2-3-dimethoxybenzaldehyde",1.402827637,-0.54171583,-0.495049873,0.358998439,-0.677767265,0.266727368,0.782900789,-1.016597234,-0.988864031,1.908528562,-0.096932703,0.399057478,1.360937697,-0.769359197,-0.759489544,0.534007445,-0.994841296,0.281459489]
["mol125","3-4-difluorobenzaldehyde",0.780428104,-1.037365119,-1.000934671,1.95889794,-0.07940185,0.40286514,1.361248614,-0.741982882,-0.732875288,0.517392556,-0.957465613,0.276004474,1.401955647,-0.549247465,-0.500621415,0.360446744,-0.689422136,0.268680767]
["mol126","2-3-difluorobenzaldehyde",1.393453378,-0.536461121,-0.492003601,0.359583508,-0.668881214,0.264793295,0.781132398,-1.031040852,-0.994390713,1.941046356,-0.084385209,0.402045295,1.362252226,-0.769120996,-0.759286481,0.533027417,-0.99538006,0.281387002]
["mol127","3-5-difluorobenzaldehyde",0.779264442,-1.043714807,-1.005336659,1.984172346,-0.06487912,0.404047671,1.362109244,-0.744915779,-0.735642128,0.51937255,-0.961185357,0.276496039,1.403532865,-0.544537908,-0.500073166,0.36202626,-0.682584814,0.266888379]
["mol128","2-5-difluorobenzaldehyde",1.391733043,-0.537964725,-0.493159936,0.359816938,-0.671307722,0.265230285,0.781078693,-1.031445085,-0.994758492,1.942481625,-0.083721952,0.402119768,1.362491464,-0.769487539,-0.759551772,0.533522705,-0.995516607,0.281373012]
["mol129","5-fluorosalicylaldehyde",1.394547303,-0.542538186,-0.494565533,0.359425535,-0.677678185,0.266887478,0.782529876,-1.020378183,-0.989733315,1.914772136,-0.095339362,0.399914824,1.362082322,-0.772069942,-0.762350677,0.534862228,-0.99955839,0.281979746]
["mol130","3-fluorosalicyclaldehyde",1.395321849,-0.542381706,-0.494513369,0.359086254,-0.677808821,0.266869965,0.782559123,-1.02042866,-0.989353141,1.913556553,-0.096225248,0.399916291,1.362106932,-0.770130631,-0.760520194,0.533555802,-0.997095024,0.281641238]
["mol131","3-4-dihydroxybenzaldehyde",0.782109461,-1.026427511,-0.994857454,1.925305199,-0.095979766,0.40057153,1.360033497,-0.738685313,-0.729774259,0.515035043,-0.95342453,0.275478893,1.404971097,-0.554975565,-0.503135364,0.358533836,-0.699577094,0.270913414]
["mol132","2-3-dihydroxybenzaldehyde",1.397544165,-0.544766045,-0.496445642,0.358620432,-0.682591256,0.26779466,0.783039455,-1.016694395,-0.987911464,1.905004325,-0.099601534,0.399085038,1.361624042,-0.769623898,-0.760115768,0.533130713,-0.996608953,0.281604576]
["mol133","m-methoxybenzaldehyde, 3-methoxybenzaldehyde",1.411654025,-0.549133116,-0.502937856,0.359897935,-0.692173037,0.268881871,0.780774981,-1.033034822,-1.000383008,1.954631066,-0.078786763,0.401750161,1.360599931,-0.739573116,-0.730737009,0.515874213,-0.954435911,0.275622637]
["mol134","o-methoxybenzaldehyde",1.400594785,-0.544397162,-0.49449708,0.358097812,-0.68079643,0.26776238,0.783808212,-1.011055429,-0.985072833,1.889781657,-0.106346605,0.398029715,1.360507179,-0.770930438,-0.761378324,0.534199379,-0.998109383,0.281933261]
["mol135","5-hexen-2-one",0.781427004,-1.031164488,-0.998596632,1.932882638,-0.096878483,0.401374805,1.465285372,-0.488494156,-0.467951293,0.355941424,-0.600504025,0.250953174,1.476148429,-0.485859302,-0.468015962,0.359302273,-0.594572991,0.249940837]
["mol136","4-methyl-3-penten-2-one",0.788145214,-0.999943888,-0.971136869,1.795808907,-0.17527185,0.394533435,1.421898392,-0.538834331,-0.48776797,0.3551291,-0.671473202,0.266009212,1.468450659,-0.486828683,-0.465588257,0.357019458,-0.595397482,0.249730395]
["mol137","4-hexen-3-one",0.786621092,-1.000394331,-0.977353217,1.828939162,-0.148808386,0.395196949,1.479329107,-0.48728038,-0.460709464,0.361229163,-0.586760682,0.248864203,1.422936363,-0.534389667,-0.488749939,0.356200171,-0.666939435,0.264517307]
["mol138","2-hexanone",0.781741166,-1.029026066,-0.998042616,1.926499687,-0.100568995,0.400973471,1.464427234,-0.488574045,-0.468171605,0.356190282,-0.600555368,0.250959054,1.477691038,-0.486653007,-0.468215676,0.358878788,-0.595989895,0.250291494]
["mol139","3-methyl-2-pentanone",1.489820269,-0.479554541,-0.46364572,0.36146242,-0.581737841,0.247923699,0.782029404,-1.025401828,-0.99606665,1.922692895,-0.098775582,0.400164042,1.466479248,-0.482401561,-0.46392159,0.355476109,-0.590847042,0.249215267]
["mol140","3-hexanone",1.473265732,-0.488853742,-0.463451767,0.36029622,-0.592009289,0.250102079,0.78162267,-1.02275117,-1.000249029,1.932531997,-0.090468203,0.400238445,1.479497578,-0.483669282,-0.466484124,0.359579777,-0.590573628,0.249275899]
["mol141","2-methyl-3-pentanone",0.78113966,-1.019456935,-1.002964221,1.945792612,-0.076628544,0.399965793,1.489827019,-0.478368769,-0.461262601,0.362681564,-0.576949805,0.247073651,1.473533912,-0.488123263,-0.462335667,0.360880048,-0.589578882,0.249795672]
["mol142","4-methoxy-2-butanone",0.781873155,-1.03028807,-0.997737484,1.922713733,-0.105311821,0.401132883,1.470652073,-0.486187383,-0.463409709,0.358197027,-0.591400066,0.24977008,1.469241916,-0.488883576,-0.468469959,0.355547493,-0.601806043,0.251081533]
["mol143","3-hydroxy-3-methyl-2-butanone",1.493282962,-0.492313416,-0.462981487,0.37658825,-0.578706653,0.247603326,0.782492829,-1.002546973,-0.997093259,1.919695231,-0.079945001,0.397661732,1.474721561,-0.487363726,-0.469142318,0.350056758,-0.606449285,0.251900234]
["mol144","4-phenyl-2-butanone",0.781108878,-1.030924903,-1.001372269,1.940591352,-0.09170582,0.401510918,1.46894448,-0.48592675,-0.46680464,0.355511474,-0.597219915,0.250250735,1.475655527,-0.487090715,-0.462433308,0.360345811,-0.589178212,0.249334454]
["mol145","4-hydroxyphenylacetone",0.780996904,-1.034653394,-1.001517368,1.942290911,-0.093879851,0.40186109,1.470241896,-0.488204183,-0.468426788,0.354495001,-0.60213597,0.251301075,1.479212396,-0.471802811,-0.458656029,0.361271307,-0.569187532,0.245333518]
["mol145","4-hydroxyphenylacetone",0.780757658,-1.036753619,-1.002459923,1.94669657,-0.092516971,0.402300959,1.470993728,-0.489155915,-0.468974834,0.354150627,-0.603980122,0.251649046,1.477405949,-0.470421653,-0.457616101,0.361427299,-0.566610455,0.244798427]
["mol146","p-fluorophenylacetone",1.435549303,-0.481934062,-0.465295839,0.379616756,-0.567613145,0.244553657,0.773594444,-1.083919847,-1.020455341,2.093135675,-0.011239513,0.412838858,1.461324794,-0.487343328,-0.470048652,0.365141721,-0.592250259,0.248934439]
["mol148","2-bromo-5-chlorobenzaldehyde",0.778254753,-1.056383284,-1.009631213,2.004855674,-0.061158822,0.406188059,1.39628407,-0.534756901,-0.488529625,0.361522866,-0.66176366,0.263717553,1.36190952,-0.742157087,-0.73082416,0.517844017,-0.955137231,0.275981996]
["mol149","5-bromo-o-anisaldehyde",0.782856162,-1.017938262,-0.988667781,1.908494814,-0.098111229,0.399457184,1.397095746,-0.54124162,-0.493086626,0.359138849,-0.675189398,0.266559052,1.361652727,-0.772756102,-0.763035835,0.535639044,-1.000152892,0.28213341]
["mol150","p-bromobenzaldehyde",0.781002706,-1.032761164,-0.99855647,1.948188446,-0.083129187,0.401876164,1.405471654,-0.551496035,-0.503320529,0.359505651,-0.695310914,0.26979088,1.360758579,-0.739985503,-0.730966812,0.515931619,-0.955020696,0.2756604]
["mol151","2-cyclopenten-1-one",1.474038432,-0.472854197,-0.450034893,0.363880762,-0.559008327,0.244458843,0.783529049,-1.032825789,-0.999890097,1.893202468,-0.139513417,0.401426536,1.40793467,-0.546141849,-0.496897669,0.360601208,-0.68243831,0.269465569]
["mol152","3-methyl-2-(trans-2-pentenyl)-2-cyclopentenone",0.785481507,-1.015975222,-0.992880459,1.858301782,-0.150553899,0.398118895,1.46899453,-0.478259302,-0.45588454,0.363632705,-0.570511136,0.246723637,1.416159995,-0.546374207,-0.491259464,0.363283782,-0.674349889,0.269421868]
["mol153","2-pentanone",1.477772298,-0.487099467,-0.468803548,0.358760492,-0.597142524,0.250451224,0.781711103,-1.02903379,-0.997745656,1.927208154,-0.099571292,0.400951454,1.464680047,-0.488209487,-0.467969075,0.356131698,-0.600046864,0.250836376]
["mol154","4-hydroxy-2-butanone",1.475204315,-0.481338358,-0.460897122,0.357625694,-0.584609786,0.248081351,0.781668758,-1.030153795,-0.997173243,1.926718565,-0.100608473,0.401149608,1.466887931,-0.492525291,-0.470869595,0.355378332,-0.608016554,0.252369228]
["mol155","1-3-cyclopentanedione",1.461081383,-0.481585787,-0.464923633,0.36153741,-0.58497201,0.249290371,0.777686264,-1.057424209,-1.020494626,2.01338859,-0.064530244,0.407332855,1.480960111,-0.474238122,-0.45121789,0.362497014,-0.562958997,0.245290168]
["mol156","4-methoxy-3-buten-2-one",0.789127433,-0.999157097,-0.969216942,1.770749696,-0.197624343,0.395335371,1.404797681,-0.541985431,-0.483847807,0.353877021,-0.671956217,0.267576521,1.467469796,-0.488273677,-0.467436139,0.356092409,-0.599617407,0.250347879]
["mol157","2-methyl-4-5-dihydro-3(2H)-furanone",1.471443167,-0.502277762,-0.473379686,0.378893786,-0.596763663,0.251298398,0.77755773,-1.049838576,-1.024566993,2.024601811,-0.049803758,0.406551955,1.473317278,-0.473703915,-0.458696475,0.360225776,-0.572174614,0.247355021]
["mol158","4-hydroxy-3-methyl-2-butanone",1.485313037,-0.478795684,-0.457976724,0.360794409,-0.575977999,0.246981375,0.781501635,-1.02608129,-0.998287207,1.933845058,-0.090523438,0.40054221,1.466416475,-0.489966791,-0.468631095,0.355431638,-0.603166248,0.251552425]
["mol159","tetrahydrothiophen-3-one",0.777801023,-1.058486301,-1.02162983,2.01028743,-0.069828701,0.407255284,1.479206522,-0.482018944,-0.459029292,0.360756633,-0.580291603,0.248027018,1.463128574,-0.471344473,-0.453291404,0.366157363,-0.558478514,0.244187896]
["mol160","3-chloro-2-butanone",1.450095974,-0.48458927,-0.467015942,0.374293707,-0.577311506,0.246363971,0.779244771,-1.04377622,-1.005917986,1.978573874,-0.071120332,0.404066624,1.482869793,-0.48844811,-0.466642899,0.349932442,-0.605158567,0.251665405]
["mol161","trans,trans-3-5-heptadien-2-one",0.787975348,-1.001976183,-0.966024373,1.796508711,-0.171491845,0.395032925,1.471334227,-0.480847605,-0.463410001,0.354712315,-0.589545292,0.248519863,1.407044264,-0.550802222,-0.501726186,0.355857564,-0.696670845,0.270395603]
["mol162","dicyclopropyl ketone",0.789446122,-0.98646896,-0.975314435,1.769013905,-0.19276949,0.394227664,1.431418503,-0.528176529,-0.482013627,0.361419294,-0.648770862,0.26286189,1.431415601,-0.528173914,-0.481997988,0.361419534,-0.648752368,0.262860272]
["mol163","3-methyl-2-cyclohexen-1-one",0.787629174,-0.999138712,-0.972022835,1.806301688,-0.164859859,0.395424899,1.472054783,-0.486471629,-0.466351793,0.359053055,-0.593770367,0.24990463,1.408155364,-0.553128381,-0.50273456,0.354600406,-0.701262535,0.271577546]
["mol164","cyclohexyl methyl ketone",0.781781362,-1.024242789,-0.999039137,1.929082936,-0.09419899,0.400240909,1.485727679,-0.483815763,-0.46366684,0.362005259,-0.585477344,0.24890564,1.463919765,-0.487236859,-0.466779486,0.356333884,-0.597682462,0.250514419]
["mol165","1-2-cyclohexanedione",1.390177831,-0.55121858,-0.496792006,0.368878172,-0.679132414,0.265768678,0.782775582,-1.024966179,-0.985735697,1.899705253,-0.110996623,0.401486746,1.481567543,-0.485483445,-0.463923016,0.355711798,-0.593694662,0.24982508]
["mol166","1-3-cyclohexanedione",0.789531936,-0.997226891,-0.966382933,1.764322302,-0.199287522,0.395102249,1.38739392,-0.559310028,-0.497855125,0.350997246,-0.706167908,0.274189449,1.473704318,-0.48202793,-0.461726987,0.359161922,-0.584592995,0.248105905]
["mol167","2-hydroxy-3-methyl-2-cyclopenten-1-one",1.377290323,-0.569413836,-0.50322178,0.369871537,-0.702764078,0.272374836,0.782530008,-1.035277158,-0.998702956,1.910992138,-0.122987977,0.403088444,1.47113365,-0.481846732,-0.457524994,0.36170644,-0.577665286,0.247943944]
["mol168","1-4-cyclohexanedione",0.780618123,-1.034117977,-0.999441897,1.951007418,-0.082552456,0.402408019,1.471044947,-0.486368755,-0.468261359,0.359375278,-0.595254836,0.250412681,1.471044947,-0.486368755,-0.468261359,0.359375278,-0.595254836,0.250412681]
["mol169","3-octen-2-one",0.786246783,-1.007468915,-0.978749872,1.830960055,-0.155258733,0.396995023,1.465899939,-0.490189153,-0.469356647,0.356002792,-0.603543009,0.251250273,1.423767258,-0.534997191,-0.487470259,0.358255911,-0.664211539,0.264334774]
["mol170","2-5-dimethyl-3(2H)-furanone",0.788910585,-1.007547348,-0.976288724,1.781979579,-0.201856492,0.398037065,1.390200474,-0.56912106,-0.499386719,0.347376661,-0.721131118,0.280041304,1.434406171,-0.497475939,-0.467059571,0.378174284,-0.586361226,0.249059015]
["mol171","2-methyl-1-cyclohexanone",1.484721202,-0.481825834,-0.460170514,0.362374477,-0.579621871,0.248069468,0.78151394,-1.020309789,-0.998951838,1.938412372,-0.080849255,0.399855125,1.474641338,-0.48585558,-0.468297962,0.358495983,-0.59565756,0.250597212]
["mol172","3-methylcyclohexanone",0.78182028,-1.024009661,-0.996805031,1.928872849,-0.091941843,0.400325721,1.472918905,-0.487621044,-0.469262127,0.358571604,-0.598311567,0.251046478,1.473679294,-0.488274407,-0.469848354,0.358773117,-0.599349643,0.251277895]
["mol173","cycloheptanone",0.782657425,-1.018759157,-0.9918044,1.909869379,-0.100694178,0.39905375,1.477702556,-0.48286638,-0.468434514,0.358859739,-0.592441155,0.249899485,1.476975889,-0.484456405,-0.467339428,0.35826427,-0.593531563,0.249989149]
["mol174","4-methylcyclohexanone",0.781703349,-1.024187032,-0.997492645,1.931494421,-0.090185256,0.400446448,1.473188498,-0.488599536,-0.47023761,0.358896694,-0.599940452,0.251372903,1.473188498,-0.488599536,-0.47023761,0.358896694,-0.599940452,0.251372903]
["mol175","trans-3-hepten-2-one",1.417719333,-0.541603136,-0.496267093,0.356551802,-0.681318427,0.267212379,0.786626668,-1.008191069,-0.972980876,1.82326349,-0.157908455,0.396332297,1.471339154,-0.481333945,-0.46403358,0.354743488,-0.590624037,0.248747184]
["mol176","2-5-hexanedione",0.789324901,-0.983552206,-0.96065275,1.77752664,-0.166678316,0.392371058,1.470018221,-0.499818178,-0.476207173,0.358573911,-0.61745144,0.254756956,1.461450537,-0.503362666,-0.484244392,0.354287741,-0.633319318,0.257114467]
["mol177","4-heptanone",1.473406703,-0.488535301,-0.463187021,0.36034586,-0.591376462,0.249988524,0.781813156,-1.022230503,-0.999265918,1.928962107,-0.092534314,0.400027988,1.478010847,-0.484428192,-0.466247589,0.358975038,-0.591700744,0.2495312]
["mol178","3-heptanone",0.789301378,-0.978329679,-0.958785174,1.779859013,-0.157255839,0.391510091,1.472900229,-0.496125761,-0.479054841,0.358552436,-0.616628166,0.25443022,1.474352898,-0.491255311,-0.469294389,0.359175455,-0.601374245,0.251742212]
["mol179","2-heptanone",0.78975113,-0.985270846,-0.957137745,1.769049999,-0.173358592,0.392216389,1.456590395,-0.502064454,-0.483586938,0.354558801,-0.631092591,0.256738309,1.473223501,-0.498529488,-0.481138847,0.357682409,-0.621985927,0.255260469]
["mol180","5-methyl-2-hexanone",0.781768193,-1.02908189,-0.997914232,1.926106514,-0.100889609,0.400954197,1.464728229,-0.487879741,-0.467558919,0.356170088,-0.599268573,0.250726246,1.477655392,-0.486130043,-0.467616055,0.358711188,-0.59503491,0.250208516]
["mol181","2-4-dimethyl-3-pentanone",0.781259151,-1.016446417,-1.002457529,1.945557417,-0.073346529,0.399335658,1.487076089,-0.479029653,-0.45985331,0.362963243,-0.575919721,0.247117981,1.487077109,-0.479028235,-0.459851881,0.362963232,-0.575916884,0.24711743]
["mol182","5-methyl-3-hexanone",0.781888413,-1.021952459,-0.998192062,1.929077741,-0.09106678,0.399677284,1.477367525,-0.484777086,-0.467192523,0.358087338,-0.593882271,0.250048209,1.475625385,-0.486202323,-0.460997332,0.360879805,-0.58631985,0.249068877]
["mol183","2-methyl-3-hexanone",1.472773875,-0.487551014,-0.462399527,0.360278794,-0.589671747,0.249745484,0.781319352,-1.019566932,-1.002228482,1.941877284,-0.07991813,0.399863991,1.490283471,-0.47790507,-0.460746987,0.36286437,-0.575787687,0.246881569]
["mol184","3-methyl-2-hexanone",0.781382916,-1.026133249,-1.000956063,1.937500173,-0.089589139,0.40067617,1.489400973,-0.480408456,-0.461028566,0.362596609,-0.578840414,0.247600961,1.464414509,-0.486270685,-0.465957318,0.356140248,-0.596087755,0.250231448]
["mol185","4-4-dimethyl-2-pentanone",0.782176863,-1.026551459,-0.996923792,1.919391286,-0.104083965,0.400092994,1.482313611,-0.480599194,-0.462162085,0.357729484,-0.585031796,0.2481882,1.464963201,-0.489311083,-0.468243782,0.356828276,-0.600726588,0.251073174]
["mol186","2-5-dimethyl-3-hexanone",1.484824604,-0.489817318,-0.466867506,0.36579417,-0.590890654,0.25161063,0.761054421,-1.028778016,-0.998023385,2.256194363,0.229392962,0.401125817,1.489766192,-0.495028752,-0.471977671,0.370716586,-0.596289838,0.252885798]
["mol187","4-ethoxy-2-butanone",0.781911838,-1.029990314,-0.997667279,1.922138301,-0.105519292,0.401067779,1.470974298,-0.486423296,-0.463563598,0.358140811,-0.591846083,0.249874824,1.469130167,-0.488586894,-0.468239385,0.355629037,-0.601197241,0.250970255]
["mol188","1-hydroxy-4-methyl-2-pentanone",1.483517814,-0.488031292,-0.470346357,0.353927812,-0.604449837,0.252270775,0.781896617,-1.021767832,-0.997712927,1.928517475,-0.090963285,0.400087248,1.468549728,-0.500813271,-0.464359477,0.37250179,-0.592670958,0.248790612]
["mol189","3-methylthio-2-butanone",0.783081639,-1.022288011,-0.991173645,1.898842034,-0.114619622,0.399323199,1.46155661,-0.489328965,-0.472194756,0.36902678,-0.592496941,0.250549312,1.475964875,-0.483960446,-0.465345759,0.352599714,-0.596706491,0.250216132]
["mol190","acetophenone",1.430619167,-0.521052411,-0.478853608,0.36264094,-0.637265078,0.259190134,0.785031233,-1.014525952,-0.981944861,1.855421035,-0.141049778,0.398156044,1.473470709,-0.483540936,-0.465352821,0.354014076,-0.59487968,0.249708369]
["mol191","5-chloro-2-pentanone",0.780807667,-1.03667715,-1.001175376,1.9440559,-0.093796627,0.402508753,1.467660706,-0.489747307,-0.468768261,0.355044013,-0.603471555,0.251516414,1.471981521,-0.481348345,-0.463957942,0.360573478,-0.584732809,0.248163055]
["mol192","methyl-p-benzoquinone",1.410710901,-0.544440621,-0.506646792,0.357853993,-0.69323342,0.268036687,1.41390189,-0.548777883,-0.50547967,0.35521711,-0.699040443,0.269928562,0.788192775,-0.998751473,-0.959445007,1.794699669,-0.16349681,0.394681053]
["mol193","2-hydroxy-1-cyclopentenyl methyl ketone",0.805172789,-0.902616741,-0.897626752,1.502451822,-0.297791672,0.373706485,1.400108736,-0.58309007,-0.503383298,0.341563655,-0.744909712,0.2836453,1.469335014,-0.495186293,-0.474418807,0.353508461,-0.616096639,0.253384657]
["mol194","2-methyl-1-3-cyclohexanedione",1.407100412,-0.549055174,-0.489016844,0.355507368,-0.682564651,0.270489454,0.789671736,-0.989786967,-0.962331972,1.765004183,-0.187114756,0.393575643,1.46892195,-0.482237811,-0.46230923,0.359378548,-0.585168493,0.248288046]
["mol195","3-5-dimethyl-1-2-cyclopentanedione",1.375865668,-0.569286979,-0.503679302,0.369134828,-0.703831453,0.272627094,0.782746758,-1.027976015,-0.997572485,1.910087341,-0.115461159,0.401840533,1.482065489,-0.479225903,-0.456458936,0.364738922,-0.570945917,0.246994017]
["mol196","4-4-dimethyl-2-cyclohexen-1-one",0.786397317,-1.004345735,-0.976613944,1.8318119,-0.149147779,0.396470455,1.473925399,-0.487832692,-0.467136813,0.358481988,-0.596487517,0.250471203,1.409580891,-0.549902337,-0.504349954,0.356231496,-0.698020795,0.270301682]
["mol197","3-5-diemthylcyclohexanone",0.781411445,-1.02744665,-1.00174753,1.936399846,-0.092794334,0.401278799,1.474017926,-0.486092726,-0.465968569,0.359289653,-0.592771642,0.250125912,1.474018199,-0.486092162,-0.46596792,0.359289698,-0.592770384,0.250125674]
["mol198","2-2-4-trimethylcyclopentanone",1.499101668,-0.466874138,-0.449970873,0.368119334,-0.548725677,0.242951662,0.778604364,-1.039203203,-1.021352723,2.006207946,-0.05434798,0.403525028,1.475413761,-0.478564641,-0.458620931,0.361642385,-0.575543187,0.247750217]
["mol199","2-4-4-trimethylcyclopentanone",0.778868487,-1.040382557,-1.020665572,1.998836359,-0.06221177,0.403793586,1.475740145,-0.478365242,-0.457927433,0.361891232,-0.574401442,0.24758223,1.488560507,-0.474613487,-0.454025595,0.365810776,-0.562828305,0.245612027]
["mol200","4-ethylcyclohexanone",0.781910906,-1.022967399,-0.996825906,1.927190884,-0.092602421,0.400207581,1.473182832,-0.488696361,-0.469986342,0.358596764,-0.60008594,0.251427437,1.473066315,-0.488674469,-0.470016788,0.358696582,-0.599994675,0.251411134]
["mol201","formamide",0.76581584,-1.075543258,-0.986196236,2.077321526,0.015582032,0.407490358,0.904331878,-0.705304045,-0.640540073,0.40113077,-0.944713348,0.319772557,1.359469708,-0.766982485,-0.746463563,0.548164034,-0.965282014,0.274524081]
["mol202","N-methylformamide",0.905427678,-0.708334191,-0.629633,0.394012125,-0.943955065,0.321266577,0.767926222,-1.064424516,-0.976167416,2.026305443,-0.01428649,0.405046397,1.357756519,-0.760289491,-0.739259445,0.547685352,-0.951863584,0.273389677]
["mol203","acetamide",0.770077609,-1.05829477,-0.971592568,1.962465786,-0.067421553,0.404554203,0.918698907,-0.694312165,-0.629503815,0.354279699,-0.969536281,0.316574358,1.485418935,-0.502236303,-0.472146063,0.358850408,-0.615531959,0.254437713]
["mol204","Urea",0.771443868,-1.085690123,-0.968765754,1.897426417,-0.15702946,0.409150677,1.0072149,-0.719570791,-0.62738778,0.262528177,-1.084430394,0.314615857,1.00721496,-0.719570486,-0.627387429,0.262528299,-1.084429615,0.314615789]
["mol205","acrylamide",1.44084451,-0.547818481,-0.503406037,0.368958528,-0.682265991,0.268114767,0.771392942,-1.052041941,-0.962633152,1.937736232,-0.07693886,0.402430224,0.94027273,-0.698597758,-0.631808537,0.304615684,-1.025790612,0.316418651]
["mol206","N,N-dimethylformamide",0.91478403,-0.705191034,-0.61242815,0.366142996,-0.951476188,0.319968925,0.769120887,-1.052491074,-0.969096756,2.001186669,-0.020401161,0.402855293,1.355281786,-0.762402886,-0.739722337,0.547570265,-0.954554958,0.274065313]
["mol207","propionamide",0.769912525,-1.05091587,-0.972075561,1.972754771,-0.050236659,0.4035198,1.498366936,-0.499032649,-0.469892875,0.361544923,-0.607380601,0.253100851,0.919394093,-0.689504962,-0.629766043,0.352479888,-0.966791117,0.316048436]
["mol208","N-methylacetamide",0.929481524,-0.700763375,-0.622655374,0.323935547,-0.999483202,0.31803896,0.772230538,-1.04517363,-0.957176801,1.915632407,-0.086718024,0.401295529,1.481757242,-0.498160306,-0.474458002,0.359048865,-0.613569442,0.254431343]
["mol209","N-ethylformamide",0.906442238,-0.709200616,-0.630593235,0.389842607,-0.949951244,0.321529302,0.768224847,-1.062341167,-0.97474266,2.019370188,-0.017713639,0.404666898,1.357588846,-0.760004236,-0.738990021,0.547586757,-0.9514075,0.273367709]
["mol210","methacrylamide",1.458083171,-0.535074206,-0.493634874,0.371924015,-0.656785065,0.263433568,0.771319266,-1.046389483,-0.962326866,1.941972096,-0.066744253,0.401840475,0.937055206,-0.69696078,-0.63074065,0.310188881,-1.017512549,0.316472412]
["mol211","crotonamide",1.44869681,-0.544782924,-0.497130076,0.364454956,-0.677458045,0.26801498,0.772055252,-1.048316134,-0.960563422,1.923256697,-0.085622859,0.401545394,0.949189931,-0.69078369,-0.627010712,0.293288239,-1.024506163,0.313721542]
["mol212","N,N-dimethylacetamide",0.943326529,-0.688964903,-0.59418315,0.303460172,-0.97968788,0.313835621,0.773765802,-1.033563041,-0.94819618,1.8814082,-0.10035102,0.399101492,1.485889028,-0.490755903,-0.468605293,0.358287499,-0.601073697,0.251809346]
["mol213","n-propylformamide",0.90664934,-0.709916504,-0.631187529,0.38888638,-0.952217653,0.321698809,0.768275906,-1.06209317,-0.974567963,2.018471168,-0.018189965,0.404596813,1.357594755,-0.759765847,-0.73876489,0.547529237,-0.9510015,0.273324156]
["mol214","n-isopropylformamide",0.905749799,-0.710317206,-0.630547198,0.391852288,-0.949012116,0.321886466,0.768755841,-1.059329738,-0.972431392,2.006212781,-0.025548348,0.40410854,1.357226755,-0.759679479,-0.738626261,0.547438489,-0.95086725,0.27335288]
["mol215","butyramide",0.770301153,-1.050001162,-0.970530168,1.962931704,-0.057599626,0.403274823,1.497303485,-0.49995857,-0.471549427,0.36119849,-0.610309507,0.253595312,0.918810493,-0.689958567,-0.629529704,0.35457661,-0.964911662,0.316075163]
["mol216","isobutyramide",0.770492776,-1.044598578,-0.969191831,1.960857716,-0.052932693,0.402555458,1.506929472,-0.497409736,-0.473361251,0.364216578,-0.60655441,0.252837236,0.916070413,-0.686507849,-0.628798896,0.362551029,-0.952755716,0.315858596]
["mol217","N-ethylacetamide",0.772494006,-1.038975576,-0.95946955,1.910291286,-0.088153839,0.400974802,0.92514935,-0.705309926,-0.621915695,0.335966656,-0.991258965,0.319148728,1.481123719,-0.501443177,-0.471131105,0.359948186,-0.612626095,0.25405144]
["mol218","N-methylpropionamide",0.772468308,-1.031993316,-0.956834629,1.917306185,-0.07152176,0.399800513,1.493088983,-0.499118158,-0.470603733,0.362086695,-0.607635196,0.253228845,0.915487755,-0.706776687,-0.628394229,0.360197371,-0.974973546,0.320611309]
["mol219","oxamide",1.463058536,-0.525339679,-0.477871718,0.389622866,-0.613588531,0.251309064,0.771490751,-1.033090323,-0.96028416,1.938958982,-0.054415501,0.40101589,0.895733205,-0.74589636,-0.663065076,0.414107828,-0.994853608,0.331993992]
["mol220","N,N-dimethylacrylamide",0.944851931,-0.698678763,-0.598318345,0.300928398,-0.99606871,0.315925174,0.775769857,-1.021837594,-0.936592647,1.839330577,-0.119099664,0.396903847,1.443725466,-0.533868322,-0.496005552,0.367310633,-0.662563241,0.264289739]
["mol221","N-methyl-N-vinylacetamide",0.97973037,-0.664309437,-0.585273238,0.275990988,-0.973591687,0.304758849,0.769706384,-1.054689175,-0.960632387,1.98011825,-0.035203311,0.40307576,1.492550466,-0.492945817,-0.470485589,0.356670712,-0.606760693,0.253126503]
["mol222","N-(hydroxymethyl)acrylamide",0.949274146,-0.713120815,-0.635516085,0.286201854,-1.062435046,0.320388981,0.774993545,-1.024980531,-0.94643245,1.86468736,-0.106725622,0.396654978,1.440846452,-0.551850733,-0.50661298,0.368759367,-0.689704346,0.269717414]
["mol223","diacetamide",0.99389388,-0.639314309,-0.587920245,0.274217415,-0.95301714,0.297545065,0.766247399,-1.080292076,-0.976004828,2.059685775,0.003388872,0.408069908,1.496095806,-0.501086361,-0.478791781,0.354934658,-0.624943483,0.256507734]
["mol224","N-tert-butylformamide",0.768992804,-1.054385031,-0.969908934,2.004453416,-0.019840549,0.402757539,0.907184568,-0.718876729,-0.634721677,0.385094329,-0.968504077,0.323317056,1.357638769,-0.7587751,-0.736445694,0.548280322,-0.946940472,0.27298005]
["mol225","N,N-diethylformamide",0.914404073,-0.714712973,-0.620258504,0.362508315,-0.972463162,0.322649509,0.769950603,-1.047447379,-0.963243636,1.984152269,-0.026538746,0.401426852,1.354761763,-0.760264592,-0.73730978,0.547341756,-0.950232616,0.273683028]