path: root/cv/data/csv/FHM_hybrid.csv

SMILES,WT.unity,BCUTp-1h,BCUTc-1l,Weta2.unity,BCUTw-1h,WK.unity,Weta3.unity,Weta1.unity,Wnu2.unity,Wlambda2.unity,WA.unity,Wnu1.unity,Wlambda3.unity,Wlambda1.unity,BCUTp-1l,WV.unity,BCUTw-1l,BCUTc-1h,WD.unity
InChI%3D1S%2FC12H19N%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9H%2C13H2%2C1-4H3,10.1475286483765,9.93316173553467,-0.336046010255814,0.37227526307106,14.0091028213501,0.263270407915115,0.616025030612946,0.406467318534851,0.202158421278,2.05140829086304,24.6054801940918,0.113481014966965,6.94456815719604,1.15155184268951,6.36878108978271,51.1581840515137,11.99338722229,0.0535368695855141,1.39476764202118
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,6.84003973007202,8.88276863098145,-0.18704180419445,0.537095904350281,12.1501121520996,0.244713023304939,0.542462527751923,0.53068733215332,0.340382635593414,2.32823085784912,10.5045328140259,2.32200081384804e-09,4.5118088722229,1.58825770313342e-08,6.89796876907349,17.3445720672607,11.8500003814697,0.115228086709976,1.61024582386017
InChI%3D1S%2FC14H9Cl5O%2Fc15-11-5-1-9%282-6-11%2913%2820%2C14%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C20H,10.5909442901611,13.8308811187744,-0.374137967824936,0.426823616027832,34.9729804992676,0.208850279450417,0.466978311538696,0.505012035369873,0.245154917240143,2.59642195701599,30.573522567749,0.143044710159302,6.47954368591309,1.51497852802277,6.2119197845459,66.6519088745117,11.9985179901123,0.330760270357132,1.3988139629364
InChI%3D1S%2FC8H17Br%2Fc1-2-3-4-5-6-7-8-9%2Fh2-8H2%2C1H3,11.4089412689209,8.22695732116699,-0.196196123957634,0.729291558265686,78.9185180664062,0.415052682161331,0.539857387542725,0.615327477455139,0.0710676908493042,0.810807108879089,13.463285446167,0.0421954095363617,10.1167287826538,0.481404930353165,5.13166809082031,28.8210544586182,11.9988441467285,0.0854445546865463,1.88447642326355
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InChI%3D1S%2FC12H12N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29,8.85387229919434,11.9949417114258,-0.34783923625946,0.528574407100677,15.9969263076782,0.20197357237339,0.474702447652817,0.293889671564102,0.260941922664642,2.31034660339355,21.5627307891846,0.136426642537117,5.33562183380127,1.2079039812088,4.33389711380005,45.3065986633301,11.8500003814697,0.371319651603699,1.29716658592224
InChI%3D1S%2FC9H10O%2Fc1-2-5-8-6-3-4-7-9%288%2910%2Fh2-4%2C6-7%2C10H%2C1%2C5H2,7.35485410690308,8.76363086700439,-0.386328637599945,0.455331772565842,15.9979429244995,0.285165905952454,0.524038434028625,0.25849387049675,0.229026556015015,1.68445694446564,11.7678480148315,0.0574189014732838,5.24808931350708,0.422307640314102,5.16094017028809,22.855978012085,11.9962692260742,0.101668328046799,1.23786413669586
InChI%3D1S%2FC9H10O3%2Fc1-2-12-9-5-7%286-10%293-4-8%289%2911%2Fh3-6%2C11H%2C2H2%2C1H3,9.21008777618408,8.24388885498047,-0.38297963142395,0.436701565980911,15.998703956604,0.289070516824722,0.555410325527191,0.252197504043579,0.256108850240707,2.35878491401672,17.6929378509521,0.0251304656267166,6.61984872817993,0.231453776359558,3.89814376831055,30.5171298980713,11.9962692260742,0.14994041621685,1.244309425354
InChI%3D1S%2FC6H12O%2Fc7-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2,4.50743532180786,7.02427101135254,-0.392487674951553,0.506936430931091,15.9949159622192,0.112110964953899,0.48197340965271,0.383550673723221,0.378093391656876,1.70423138141632,6.14170742034912,0.139091998338699,2.17625546455383,0.626948177814484,4.66637229919434,12.9743947982788,11.8999996185303,0.0621933601796627,1.3724604845047
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InChI%3D1S%2FC6H7ClN.HI%2Fc1-8-5-3-2-4-6%288%297%3B%2Fh2-5H%2C1H3%3B1H%2Fq%2B1%3B%2Fp-1,,8.34213638305664,-0.365228414535522,,126.904472351074,,,,,,,,,,5.78997755050659,,11.9935512542725,0.151382058858871,
InChI%3D1S%2FC8H10O2%2Fc9-6-7-10-8-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2,9.0657901763916,7.7158203125,-0.393394947052002,0.433894574642181,15.9959182739258,0.364526510238647,0.555993676185608,0.199989646673203,0.163007482886314,1.47779166698456,12.4003190994263,0.0176238417625427,7.42822504043579,0.159774050116539,3.8363950252533,23.2200088500977,11.8500003814697,0.10528577119112,1.18987786769867
InChI%3D1S%2FC18H39O7P%2Fc1-4-7-10-20-13-16-23-26%2819%2C24-17-14-21-11-8-5-2%2925-18-15-22-12-9-6-3%2Fh4-18H2%2C1-3H3,35.187931060791,6.55199337005615,-0.379668653011322,0.558987319469452,30.973762512207,0.378343433141708,0.509988129138947,0.387450277805328,0.116325177252293,4.09324216842651,174.875198364258,0.0458835773169994,29.4801406860352,1.61454820632935,3.47019100189209,404.889617919922,11.8900003433228,0.454174518585205,1.45642578601837
InChI%3D1S%2FC9H10O3%2Fc1-11-8-4-3-7%286-10%299%285-8%2912-2%2Fh3-6H%2C1-2H3,9.23883056640625,8.33697605133057,-0.377073138952255,0.509581983089447,15.998703956604,0.241074323654175,0.557481110095978,0.181828379631042,0.329411387443542,3.04337596893311,19.7394065856934,0.0158228501677513,6.04927015304565,0.146184623241425,3.96684646606445,31.669527053833,11.9962692260742,0.152397245168686,1.24889147281647
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InChI%3D1S%2FC8H10N2O3%2Fc1-2-13-6-3-4-7%289%298%285-6%2910%2811%2912%2Fh3-5H%2C2%2C9H2%2C1H3,10.264087677002,8.24479961395264,-0.370866566896439,0.400271505117416,16.0169334411621,0.333518207073212,0.55022805929184,0.1895522326231,0.207947686314583,2.13439321517944,18.5017871856689,0.0140280239284039,7.98570966720581,0.143984869122505,3.69651508331299,31.2200469970703,11.9989995956421,0.179482787847519,1.14005184173584
InChI%3D1S%2FC8H18S2%2Fc1-9-7-5-3-4-6-8-10-2%2Fh3-8H2%2C1-2H3,14.8168277740479,8.79827690124512,-0.22370083630085,0.445596843957901,31.973424911499,0.419088006019592,0.515901029109955,0.359336644411087,0.0717595592141151,1.06324899196625,21.6983299255371,0.0361230820417404,13.2183494567871,0.535229504108429,6.87114000320435,44.037483215332,11.9984741210938,0.0408639125525951,1.32083451747894
InChI%3D1S%2FC3H7Br%2Fc1-2-3-4%2Fh2-3H2%2C1H3,3.16549682617188,7.61915254592896,-0.196245178580284,0.661528825759888,78.9185180664062,0.230296894907951,0.466395378112793,0.545365214347839,0.223901391029358,0.708759129047394,2.61204028129578,0.13570274412632,2.02717113494873,0.429566621780396,5.27649784088135,6.39472818374634,11.9988794326782,0.0851667299866676,1.67328929901123
InChI%3D1S%2FC6H12%2Fc1-2-4-6-5-3-1%2Fh1-6H2,4.15405702590942,6.65383243560791,-0.152797445654869,0.506237089633942,12.1000823974609,0.0732663944363594,0.520228445529938,0.395489364862442,0.407944887876511,1.69462633132935,5.36554861068726,0.161033242940903,1.79048943519592,0.668941259384155,6.4537501335144,11.5493144989014,11.8999996185303,0.0472849607467651,1.42195498943329
InChI%3D1S%2FC3H5N%2Fc1-2-3-4%2Fh2H2%2C1H3,2.69310283660889,5.30650424957275,-0.436813324689865,0.613281667232513,14.0499544143677,0.212114006280899,0.440647065639496,0.444437712430954,0.254197120666504,0.684578955173492,1.95438075065613,0.129650875926018,1.65936064720154,0.349163144826889,3.42657351493835,5.0441198348999,11.9530916213989,0.289082765579224,1.498366355896
InChI%3D1S%2FC5H4ClNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H,4.59450578689575,8.1064624786377,-0.357007056474686,0.553320050239563,34.9693794250488,0.22941280901432,0.555598139762878,0.177671164274216,0.36078292131424,1.65761911869049,4.868239402771,3.10620862364885e-09,2.93688654899597,1.42714924322718e-08,4.9998083114624,9.46274471282959,11.9985771179199,0.227167025208473,1.28658938407898
InChI%3D1S%2FC12H17NO%2Fc1-4-13%285-2%2912%2814%2911-8-6-7-10%283%299-11%2Fh6-9H%2C4-5H2%2C1-3H3,11.1827583312988,9.46438503265381,-0.274719625711441,0.523373425006866,15.9949178695679,0.260984092950821,0.577791154384613,0.411449581384659,0.226208299398422,2.52963280677795,29.7685718536377,0.0924795866012573,7.6189489364624,1.03417682647705,5.37380027770996,60.883171081543,11.8500003814697,0.233666390180588,1.51261413097382
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3,6.89350700378418,7.49042320251465,-0.378271877765656,0.472755938768387,15.9949159622192,0.2224510461092,0.167975723743439,0.461725264787674,0.199223652482033,1.37334966659546,12.6952114105225,0.170841619372368,4.34245920181274,1.1776978969574,4.65437078475952,26.6121730804443,11.8900003433228,0.13202939927578,1.1024569272995
InChI%3D1S%2FC12H10N2O%2Fc15-12-8-6-11%287-9-12%2914-13-10-4-2-1-3-5-10%2Fh1-9%2C15H%2Fb14-13-,15.4024648666382,8.43601417541504,-0.360438227653503,0.522842943668365,15.9949188232422,0.401297330856323,0.61520254611969,0.512047529220581,0.130715474486351,2.01334047317505,27.139820098877,0.000888060894794762,13.3754463195801,0.0136783262714744,4.72754430770874,42.9106330871582,11.8500003814697,0.103810422122478,1.65009307861328
InChI%3D1S%2FC4H6Cl2%2Fc1-4%282-5%293-6%2Fh1-3H2,3.93527722358704,8.38400459289551,-0.211416080594063,0.50572681427002,34.9701538085938,0.0912292376160622,0.609391212463379,0.335933178663254,0.415574431419373,1.63540053367615,4.67333221435547,0.129453256726265,1.79044222831726,0.509434461593628,5.57416152954102,10.1002798080444,11.9985990524292,0.114282250404358,1.45105123519897
InChI%3D1S%2FC10H19O6PS2%2Fc1-5-15-9%2811%297-8%2810%2812%2916-6-2%2919-17%2818%2C13-3%2914-4%2Fh8H%2C5-7H2%2C1-4H3,17.8810977935791,11.6161298751831,-0.355016529560089,0.500693798065186,31.9730739593506,0.226100400090218,0.584064185619354,0.357708334922791,0.299261122941971,5.3511176109314,80.4327163696289,0.0659383535385132,11.3509302139282,1.17905020713806,4.69878768920898,169.92951965332,11.9962491989136,0.275514662265778,1.44246637821198
InChI%3D1S%2FC10H16%2Fc1-7-2-9-4-8%281%295-10%283-7%296-9%2Fh7-10H%2C1-6H2,5.24914503097534,8.79258155822754,-0.143577560782433,0.51360297203064,12.1001720428467,2.3332961518463e-06,0.506167769432068,0.529608964920044,0.333333969116211,1.74971842765808,9.18450832366943,0.333329558372498,1.74973142147064,1.74969530105591,8.05116748809814,19.7904109954834,11.8999996185303,0.0567212253808975,1.54937970638275
InChI%3D1S%2FC8H12N2%2Fc9-7-5-3-1-2-4-6-8-10%2Fh1-6H2,7.41296100616455,7.23877906799316,-0.436738908290863,0.424637168645859,14.0499849319458,0.296629637479782,0.566198468208313,0.468714028596878,0.144360467791557,1.07013857364655,11.8661890029907,0.126800000667572,5.40285921096802,0.939963459968567,3.74777150154114,24.7138385772705,11.9530277252197,0.289342850446701,1.45954966545105
InChI%3D1S%2FC8H6Cl2O%2Fc1-5%2811%297-3-2-6%289%294-8%287%2910%2Fh2-4H%2C1H3,7.04584121704102,9.71594715118408,-0.293960005044937,0.453526467084885,34.9701538085938,0.278851091861725,0.529074430465698,0.236870840191841,0.257938832044601,1.81739604473114,10.7947864532471,0.0369263775646687,4.96826791763306,0.260177403688431,4.74146509170532,20.1898498535156,11.9985437393188,0.161591619253159,1.21947169303894
InChI%3D1S%2FC6H12O%2Fc1-3-4-5-6%282%297%2Fh3-5H2%2C1-2H3,6.53137063980103,6.85989284515381,-0.385159432888031,0.433963745832443,16.0059242248535,0.329086303710938,0.568683803081512,0.349696099758148,0.137415379285812,0.897510766983032,8.03629112243652,0.0904695615172386,5.04296970367432,0.590890228748322,4.01674032211304,17.2421016693115,11.9886989593506,0.21528472006321,1.35234367847443
InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H,10.4574794769287,8.9124870300293,-0.258825659751892,0.541335940361023,14.003080368042,0.329990983009338,0.566725432872772,0.441197723150253,0.17160727083683,1.79457950592041,20.2036266326904,0.0550714135169983,8.08699131011963,0.575908184051514,6.57588672637939,39.0191192626953,11.8500003814697,0.0982943549752235,1.54925906658173
InChI%3D1S%2FC9H12O%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5%2C10H%2C1-3H3,7.88849020004272,8.40092277526855,-0.359882533550262,0.505529582500458,15.9949169158936,0.132311835885048,0.507757663726807,0.272726744413376,0.463121861219406,3.65333223342896,16.3329925537109,0.0271290224045515,4.02115106582642,0.214007019996643,5.30152559280396,27.3653736114502,11.8500003814697,0.114063680171967,1.28601396083832
InChI%3D1S%2FC8H19O2PS3%2Fc1-4-9-11%2812%2C10-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3,13.6399726867676,11.9415817260742,-0.322622269392014,0.491496860980988,31.9740753173828,0.28292778134346,0.525207698345184,0.401109039783478,0.241543859243393,3.2946515083313,40.4147644042969,0.0478857606649399,9.69216060638428,0.653160452842712,5.27461910247803,74.9116439819336,11.8900003433228,0.218535959720612,1.41781365871429
InChI%3D1S%2FC12H16O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-3%2C6-7%2C11-13H%2C4-5%2C8-9H2%2Ft11%3F%2C12-%2Fm1%2Fs1,9.04520225524902,9.94519519805908,-0.391886323690414,0.401032835245132,15.9949178695679,0.285545229911804,0.504490315914154,0.457093149423599,0.149938568472862,1.35622465610504,18.3733463287354,0.136001110076904,6.45881986618042,1.23015749454498,5.45541620254517,38.1942520141602,11.8500003814697,0.0901490598917007,1.36261630058289
InChI%3D1S%2FC9H9N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh1-3H%2C7-9H2,6.40154218673706,8.46587944030762,-0.414708852767944,0.576538026332855,14.0030784606934,0.0260699819773436,0.601266741752625,0.57735800743103,0.316015273332596,2.02298498153687,13.6227779388428,0.315891414880753,2.35636472702026,2.02219223976135,4.49287557601929,29.6638889312744,11.6899995803833,0.205989316105843,1.75516271591187
InChI%3D1S%2FC4H11NO%2Fc1-2-5-3-4-6%2Fh5-6H%2C2-4H2%2C1H3,5.03438329696655,6.14142084121704,-0.419851034879684,0.505056083202362,15.9979429244995,0.272013455629349,0.528092801570892,0.480889290571213,0.163960158824921,0.825438261032104,5.9442925453186,0.140021905303001,3.50402116775513,0.704923927783966,3.82463073730469,13.0175647735596,11.9964618682861,0.0815775692462921,1.51403820514679
InChI%3D1S%2FC6H10%2Fc1-3-5-6-4-2%2Fh3-6H%2C1-2H3,7.36723661422729,6.9001350402832,-0.178678497672081,0.477336704730988,12.1100749969482,0.388933748006821,0.614946484565735,0.442240983247757,0.112848319113255,0.831380248069763,7.06322765350342,0.0352400131523609,6.27623462677002,0.259621500968933,5.24821901321411,15.7851533889771,11.8900003433228,0.0451093055307865,1.5345242023468
InChI%3D1S%2FC8H18S2%2Fc1-7%282%2C3%299-10-8%284%2C5%296%2Fh1-6H3,9.72897052764893,11.697413444519,-0.131098002195358,0.502122104167938,31.973072052002,0.2917560338974,0.681992411613464,0.514784038066864,0.148866429924965,1.44831717014313,20.7987499237061,0.128792196512222,7.02763795852661,1.25301539897919,7.7711353302002,43.2812232971191,11.8900003433228,0.099470466375351,1.69889855384827
InChI%3D1S%2FC13H8Cl2O2%2Fc14-12-5-4-11%287-13%2812%2915%2917-10-3-1-2-9%286-10%298-16%2Fh1-8H,11.7642011642456,9.71545124053955,-0.310205847024918,0.528352200984955,34.970157623291,0.300203323364258,0.576203346252441,0.431138306856155,0.224760428071022,2.64412689208984,28.341775894165,0.041635125875473,8.63027000427246,0.489803999662399,3.9345874786377,51.283073425293,11.9985208511353,0.150267899036407,1.53569388389587
InChI%3D1S%2FC10H15N%2Fc1-2-3-4-9-5-7-10%2811%298-6-9%2Fh5-8H%2C2-4%2C11H2%2C1H3,11.2567272186279,8.73744487762451,-0.302477806806564,0.390413224697113,14.0030794143677,0.37113943696022,0.543486475944519,0.401389271020889,0.109741047024727,1.23532509803772,18.8938007354736,0.0620730444788933,9.32266330718994,0.698739349842072,5.21565723419189,38.1975746154785,11.8500003814697,0.0996189117431641,1.33528900146484
InChI%3D1S%2FC14H18O4%2Fc1-3-17-13%2815%2912%2814%2816%2918-4-2%2910-11-8-6-5-7-9-11%2Fh5-9%2C12H%2C3-4%2C10H2%2C1-2H3,11.2271699905396,9.69822788238525,-0.316265761852264,0.344046503305435,15.9979286193848,0.220209553837776,0.455408126115799,0.366777539253235,0.255194306373596,2.86510992050171,33.2722129821777,0.11785963177681,7.03883028030396,1.32323014736176,4.80378913879395,71.1849975585938,11.8900003433228,0.275930345058441,1.16623222827911
InChI%3D1S%2FC14H26O4%2Fc1-3-5-11-17-13%2815%299-7-8-10-14%2816%2918-12-6-4-2%2Fh3-12H2%2C1-2H3,19.6825199127197,7.43921947479248,-0.316609382629395,0.48014560341835,15.9979286193848,0.284201353788376,0.55305939912796,0.389172554016113,0.249424666166306,4.90930604934692,83.0963973999023,0.0383068658411503,14.0192394256592,0.753975629806519,4.30170965194702,154.671096801758,11.8900003433228,0.262564897537231,1.42237758636475
InChI%3D1S%2FC8H14O%2Fc1-7%282%295-4-6-8%283%299%2Fh5H%2C4%2C6H2%2C1-3H3,7.03870391845703,7.62707757949829,-0.385107696056366,0.581963777542114,16.0059261322021,0.20665742456913,0.647759914398193,0.503581702709198,0.240971803665161,1.69612920284271,13.5911388397217,0.150151625275612,4.28570175170898,1.05687272548676,4.11803436279297,28.3123607635498,11.9886302947998,0.215560659766197,1.73330533504486
InChI%3D1S%2FC7H15Br%2Fc1-2-3-4-5-6-7-8%2Fh2-7H2%2C1H3,9.24954032897949,8.20734214782715,-0.196194723248482,0.725527346134186,78.9185180664062,0.39616271853447,0.535027086734772,0.608630418777466,0.0869406536221504,0.804161131381989,10.5881319046021,0.0515090674161911,7.96894454956055,0.476435214281082,5.13634014129639,22.8908195495605,11.9988470077515,0.0854305177927017,1.86918485164642
InChI%3D1S%2FC15H24O%2Fc1-2-3-4-5-6-7-8-9-14-10-12-15%2816%2913-11-14%2Fh10-13%2C16H%2C2-9H2%2C1H3,24.1691474914551,8.81228733062744,-0.360442668199539,0.360106915235519,15.9949188232422,0.441375434398651,0.555775105953217,0.485462933778763,0.0405081808567047,0.979048192501068,42.9825248718262,0.037657905369997,22.2799396514893,0.910159468650818,4.75106000900269,87.0051040649414,11.8500003814697,0.10671754181385,1.40134489536285
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InChI%3D1S%2FC5H10O%2Fc1-5%282%293-4-6%2Fh4-5H%2C3H2%2C1-2H3,4.02596950531006,7.0877537727356,-0.389415293931961,0.468637943267822,16.0059242248535,0.101409487426281,0.452812641859055,0.515903174877167,0.330947667360306,1.33238530158997,5.11161661148071,0.200506344437599,1.88635194301605,0.807232439517975,3.44810581207275,11.1664419174194,11.9887399673462,0.206546753644943,1.43735373020172
InChI%3D1S%2FC17H19NO3%2Fc19-17%2818-10-4-1-5-11-18%297-3-2-6-14-8-9-15-16%2812-14%2921-13-20-15%2Fh2-3%2C6-9%2C12H%2C1%2C4-5%2C10-11%2C13H2%2Fb6-2-%2C7-3-,22.1139850616455,9.28170108795166,-0.316517621278763,0.433666855096817,15.9969291687012,0.372495889663696,0.667882740497589,0.417491257190704,0.129328861832619,2.85997653007507,71.5762710571289,0.0406766049563885,18.3544864654541,0.899521827697754,5.14689016342163,140.909210205078,11.8999996185303,0.226499751210213,1.51904082298279
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InChI%3D1S%2FC13H13NO%2Fc14-12-7-4-8-13%289-12%2915-10-11-5-2-1-3-6-11%2Fh1-9H%2C10%2C14H2,14.3385515213013,8.55925178527832,-0.34079173207283,0.324297577142715,15.9949188232422,0.370017856359482,0.59429919719696,0.256723523139954,0.108535386621952,1.55624032020569,30.9015350341797,0.0647741556167603,11.8535442352295,0.928767561912537,5.64321613311768,62.3730278015137,11.8500003814697,0.0914696082472801,1.17532026767731
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InChI%3D1S%2FC7H14N2O2S%2Fc1-7%282%2C12-4%295-9-11-6%2810%298-3%2Fh5H%2C1-4H3%2C%28H%2C8%2C10%29,9.51439571380615,10.9956121444702,-0.32416495680809,0.461675316095352,31.972677230835,0.211175888776779,0.552888453006744,0.597961962223053,0.216345995664597,2.05840134620667,24.740743637085,0.168752834200859,5.85041332244873,1.60558128356934,4.48403167724609,53.5903511047363,11.9984836578369,0.303534626960754,1.61252570152283
InChI%3D1S%2FC8H16O%2Fc1-3-4-5-6-7-8%282%299%2Fh3-7H2%2C1-2H3,10.3110380172729,7.2509765625,-0.385161161422729,0.431014478206635,16.0059261322021,0.389380753040314,0.566892027854919,0.361443102359772,0.0864336416125298,0.891220569610596,13.9292802810669,0.0610587000846863,8.79023838043213,0.629578590393066,4.07619714736938,29.1724624633789,11.9886302947998,0.2152980864048,1.35934960842133
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InChI%3D1S%2FC10H22S2%2Fc1-3-7-11-9-5-6-10-12-8-4-2%2Fh3-10H2%2C1-2H3,11.0373706817627,9.43381118774414,-0.166104257106781,0.565512955188751,31.973072052002,0.141486972570419,0.583475112915039,0.482394248247147,0.403129756450653,4.44949245452881,34.0747985839844,0.0748876109719276,5.76131582260132,0.826562285423279,5.56950426101685,66.3010406494141,11.8900003433228,0.0548526607453823,1.63138234615326
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InChI%3D1S%2FC3HBr3N2%2Fc4-1-2%285%298-3%286%297-1%2Fh%28H%2C7%2C8%29,4.16093397140503,11.3913259506226,-0.268017917871475,0.557853102684021,78.9204025268555,0.0962229147553444,0.551558613777161,0.54167377948761,0.335359692573547,1.39540958404541,5.48157119750977,0.203009754419327,1.92081439495087,0.844710171222687,7.54474353790283,11.9066009521484,11.9988794326782,0.168904781341553,1.65108549594879
InChI%3D1S%2FC12H10O3%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8%2C13-14H,12.065936088562,8.36650657653809,-0.361396819353104,0.516592025756836,15.9969234466553,0.358186662197113,0.559804558753967,0.474866569042206,0.11795099824667,1.42318916320801,23.5445575714111,0.0711334422230721,9.78445529937744,0.858291566371918,4.72214365005493,47.5623168945312,11.8500003814697,0.121233187615871,1.55126309394836
InChI%3D1S%2FC7H6O2%2Fc8-5-6-3-1-2-4-7%286%299%2Fh1-5%2C9H,5.49133348464966,7.88513231277466,-0.385824024677277,0.55197674036026,15.9982595443726,0.208791747689247,0.558524429798126,0.160437285900116,0.388277500867844,2.13216137886047,7.16230058670044,1.7478924974057e-07,3.35917139053345,9.59826138569042e-07,3.85390305519104,12.6536407470703,11.996319770813,0.152358114719391,1.27093839645386
InChI%3D1S%2FC7H5BrO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H,5.90590333938599,9.76681709289551,-0.385817587375641,0.531910061836243,78.9183349609375,0.172573372721672,0.516111135482788,0.144943758845329,0.436568796634674,2.57833313941956,8.57958507537842,3.73899382566378e-08,3.32756996154785,2.20821362972856e-07,4.04846572875977,14.4854898452759,11.996319770813,0.152427524328232,1.19296491146088
InChI%3D1S%2FC9H16O%2Fc1-5-9%284%2C10%297-6-8%282%293%2Fh1%2C8%2C10H%2C6-7H2%2C2-4H3,7.71058702468872,8.48325824737549,-0.377409696578979,0.394809573888779,15.9949169158936,0.231543302536011,0.633469223976135,0.465959012508392,0.24094220995903,1.85780584812164,15.3394985198975,0.117000058293343,4.95064163208008,0.902139127254486,4.82799386978149,31.3473567962646,11.8900003433228,0.122740544378757,1.49423778057098
InChI%3D1S%2FC7H8O%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5%2C8H%2C1H3,5.94295644760132,7.55969715118408,-0.360418170690536,0.452241152524948,15.9949159622192,0.277625232934952,0.529756546020508,0.12500037252903,0.279997676610947,1.66401398181915,7.53024101257324,0.0165020003914833,4.18087196350098,0.0980706736445427,4.67277765274048,14.1554775238037,11.8500003814697,0.106468982994556,1.10699808597565
InChI%3D1S%2FC8H8O%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-6H%2C1H3,5.96286916732788,8.27864265441895,-0.380506157875061,0.521573424339294,16.0059261322021,0.170650079846382,0.573492646217346,0.117650702595711,0.423638820648193,2.52610278129578,8.99061584472656,0.0154944220557809,3.3443751335144,0.0923912152647972,3.93169951438904,15.7340278625488,11.9886302947998,0.233144879341125,1.21271681785583
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InChI%3D1S%2FC9H14O3%2Fc1-7%282%299%2810%2912-6-8-4-3-5-11-8%2Fh8H%2C1%2C3-6H2%2C2H3,10.1446361541748,7.58836269378662,-0.39753195643425,0.531631946563721,15.9983024597168,0.301456570625305,0.554878652095795,0.452005952596664,0.185889855027199,1.88578498363495,21.539831161499,0.0788347274065018,7.45910167694092,0.799749672412872,4.45818185806274,42.9339561462402,11.9967565536499,0.288408726453781,1.53851652145386
InChI%3D1S%2FC7H4F3NO3%2Fc8-7%289%2C10%295-3-4%2812%291-2-6%285%2911%2813%2914%2Fh1-3%2C12H,6.82748365402222,8.03352165222168,-0.385704457759857,0.572418570518494,19.0012550354004,0.17937234044075,0.566848576068878,0.212948366999626,0.400617122650146,2.73520684242249,11.9107322692871,0.0268864165991545,3.90871024131775,0.183566570281982,3.58918738365173,20.7007503509521,11.9974966049194,0.419191390275955,1.35221552848816
InChI%3D1S%2FC7H6O3.Na%2Fc8-6-4-2-1-3-5%286%297%289%2910%3B%2Fh1-4%2C8H%2C%28H%2C9%2C10%29%3B%2Fq%3B%2B1%2Fp-1,,8.03563117980957,-0.34377533197403,,22.9897708892822,,,,,,,,,,-1.68564974956098e-06,,11.996319770813,0.270801365375519,
InChI%3D1S%2FC3H6Br2O%2Fc4-1-3%285%292-6%2Fh3%2C6H%2C1-2H2,3.77889180183411,10.0317525863647,-0.394006848335266,0.349537879228592,78.91943359375,0.180458143353462,0.566716909408569,0.297482430934906,0.247081711888313,0.933695077896118,4.12340641021729,0.178974092006683,2.16887307167053,0.676323771476746,4.8059983253479,9.27189826965332,11.9988794326782,0.102614395320415,1.21373724937439
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InChI%3D1S%2FC8H10O%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6%2C9H%2C2H2%2C1H3,6.99536085128784,8.18844413757324,-0.360421270132065,0.419079720973969,15.9949169158936,0.294835239648819,0.53630143404007,0.332967102527618,0.211852982640266,1.48198807239532,10.364109992981,0.061700027436018,5.08175849914551,0.431613951921463,4.712073802948,20.6100006103516,11.8500003814697,0.106609396636486,1.28834819793701
InChI%3D1S%2FC10H8O%2Fc11-10-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7%2C11H,7.26647043228149,9.11659240722656,-0.359797745943069,0.542715668678284,15.9949169158936,0.222549259662628,0.558939397335052,0.37578746676445,0.369934320449829,2.68811678886414,12.307149887085,1.23288446118863e-08,4.57835388183594,8.95871892225841e-08,5.24977684020996,19.5736217498779,11.8500003814697,0.133487194776535,1.47744250297546
InChI%3D1S%2FC4H5N%2Fc1-2-3-4-5%2Fh2H%2C1%2C3H2,3.63200044631958,6.10400676727295,-0.435488194227219,0.458858996629715,14.049955368042,0.280789583921432,0.504898011684418,0.328978300094604,0.189607858657837,0.688655853271484,2.98548626899719,0.102672703564167,2.57043719291687,0.372907310724258,3.63657259941101,7.27758741378784,11.9530773162842,0.292533338069916,1.29273533821106
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InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,7.38748788833618,8.25090026855469,-0.275286048650742,0.509860515594482,16.0169982910156,0.239334732294083,0.521313905715942,0.219108134508133,0.324751079082489,2.39909482002258,12.7795658111572,0.0228026118129492,4.81993913650513,0.168454021215439,3.59882807731628,22.1149711608887,11.9989995956421,0.175847336649895,1.25028252601624
InChI%3D1S%2FC7H6BrNO%2Fc8-6-3-1-2-5%284-6%297%289%2910%2Fh1-4H%2C%28H2%2C9%2C10%29,6.79799604415894,9.87745189666748,-0.344701200723648,0.464898705482483,78.9185180664062,0.274051934480667,0.55300384759903,0.3189297914505,0.285771518945694,1.9426736831665,9.93256950378418,0.0154925649985671,4.75000381469727,0.105318397283554,5.04089879989624,17.70241355896,11.9988470077515,0.164572313427925,1.33683240413666
InChI%3D1S%2FC8H6ClNO4%2Fc1-14-8%2811%296-3-2-5%289%294-7%286%2910%2812%2913%2Fh2-4H%2C1H3,8.82869625091553,9.00751495361328,-0.318470239639282,0.397213071584702,34.9688529968262,0.272125661373138,0.505235016345978,0.217460572719574,0.268270075321198,2.36847519874573,17.2306079864502,0.0355623625218868,6.14625215530396,0.313969314098358,3.8413462638855,30.6298313140869,11.9989995956421,0.271687477827072,1.11990869045258
InChI%3D1S%2FC10H24N4%2Fc11-3-1-5-13-7-9-14%2810-8-13%296-2-4-12%2Fh1-12H2,10.6614332199097,8.78088188171387,-0.330937415361404,0.443496376276016,14.0060939788818,0.212396293878555,0.578605353832245,0.456019937992096,0.27281841635704,2.90863537788391,30.30446434021,0.110653199255466,6.57307624816895,1.1797217130661,4.84887409210205,63.520622253418,11.8999996185303,0.111880831420422,1.47812163829803
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InChI%3D1S%2FC5H12ClN.ClH%2Fc1-7%282%295-3-4-6%3B%2Fh3-5H2%2C1-2H3%3B1H,,7.33478355407715,-0.345290243625641,,34.9698524475098,,,,,,,,,,2.72999811172485,,11.993597984314,0.0503652952611446,
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InChI%3D1S%2FC7H4ClNS2%2Fc8-4-1-2-6-5%283-4%299-7%2810%2911-6%2Fh1-3H%2C%28H%2C9%2C10%29,7.26933813095093,11.7550735473633,-0.26657110452652,0.451199948787689,34.9688529968262,0.275097668170929,0.556740045547485,0.178547218441963,0.242720872163773,1.76442015171051,11.8273363113403,0.0571489073336124,5.0894832611084,0.415434718132019,6.35869979858398,22.8272724151611,11.9985752105713,0.147961094975471,1.18648719787598
InChI%3D1S%2FC6H3Cl4N%2Fc7-2-1-3%288%295%2810%296%2811%294%282%299%2Fh1H%2C11H2,5.92399787902832,10.4596910476685,-0.299023121595383,0.427667021751404,34.9720077514648,0.176335036754608,0.571366846561432,0.264683783054352,0.430249691009521,2.54879832267761,8.6287088394165,0.00130360457114875,3.36747717857361,0.00772255100309849,6.87380933761597,14.6189889907837,11.9985628128052,0.159333467483521,1.26371765136719
InChI%3D1S%2FC10H6N2O5.Na.2H2O%2Fc13-10-7-4-2-1-3-6%287%298%2811%2814%2915%295-9%2810%2912%2816%2917%3B%3B%3B%2Fh1-5%2C13H%3B%3B2%2A1H2%2Fq%3B%2B1%3B%3B%2Fp-1,,9.74395084381104,-0.412000238895416,,22.9897708892822,,,,,,,,,,-4.14888472732855e-06,,11.8500003814697,0.242969110608101,
InChI%3D1S%2FC10H17N%2Fc11-10-4-7-1-8%285-10%293-9%282-7%296-10%2Fh7-9H%2C1-6%2C11H2,5.77592945098877,9.86850833892822,-0.324847966432571,0.494353592395782,14.0030794143677,0.0698958113789558,0.441567063331604,0.485332131385803,0.290604263544083,1.67850971221924,10.902642250061,0.28286799788475,2.46359419822693,1.63382565975189,6.59174537658691,23.4347133636475,11.8999996185303,0.0647006034851074,1.42125272750854
InChI%3D1S%2FC20H30O2%2Fc1-13%282%2914-6-8-16-15%2812-14%297-9-17-19%2816%2C3%2910-5-11-20%2817%2C4%2918%2821%2922%2Fh7%2C12-13%2C16-17H%2C5-6%2C8-11H2%2C1-4H3%2C%28H%2C21%2C22%29%2Ft16-%2C17%2B%2C19%2B%2C20%2B%2Fm0%2Fs1,14.5366954803467,12.8566961288452,-0.350781917572021,0.539330840110779,15.9982643127441,0.284554779529572,0.508036017417908,0.417324542999268,0.161058157682419,2.34125351905823,47.560302734375,0.126202151179314,10.3608798980713,1.83456230163574,4.9142894744873,106.598793029785,11.996150970459,0.284860789775848,1.46469140052795
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InChI%3D1S%2FC5H6ClN3%2Fc1-3-2-4%286%299-5%287%298-3%2Fh2H%2C1H3%2C%28H2%2C7%2C8%2C9%29,5.78116989135742,8.90113162994385,-0.28402578830719,0.467205494642258,34.9688529968262,0.185235664248466,0.524340152740479,0.272327184677124,0.349110543727875,2.01826739311218,8.96336555480957,0.0705752223730087,3.35489511489868,0.408007353544235,5.45105743408203,17.5071849822998,11.9945917129517,0.170012503862381,1.26387286186218
InChI%3D1S%2FC10H15NO2%2Fc12-8-6-11%287-9-13%2910-4-2-1-3-5-10%2Fh1-5%2C12-13H%2C6-9H2,8.81982231140137,9.41495513916016,-0.395395427942276,0.545543730258942,15.9959211349487,0.224141523241997,0.501871407032013,0.447338372468948,0.269612193107605,2.37793183326721,20.1475639343262,0.0981991067528725,5.57579231262207,0.866098761558533,4.24075794219971,40.4508628845215,11.8500003814697,0.0983157902956009,1.49475347995758
InChI%3D1S%2FC8H12O%2Fc1-2-8%289%296-4-3-5-7-8%2Fh1%2C9H%2C3-7H2,5.69821119308472,8.65250492095947,-0.377120465040207,0.514712870121002,15.9949169158936,0.160041019320488,0.390481323003769,0.492250055074692,0.280691862106323,1.59944140911102,9.61947250366211,0.172586783766747,3.11533355712891,0.983435869216919,4.87030792236328,20.2179412841797,11.8999996185303,0.125509947538376,1.39744424819946
InChI%3D1S%2FC11H16N2%2Fc1-2-4-11%285-3-1%2910-13-8-6-12-7-9-13%2Fh1-5%2C12H%2C6-10H2,9.93009853363037,9.02088451385498,-0.31364431977272,0.519721686840057,14.0040855407715,0.291626244783401,0.556643605232239,0.471265852451324,0.159910038113594,1.58792233467102,21.6440162658691,0.117921657860279,7.17120218276978,1.17097365856171,6.50530004501343,44.9083557128906,11.8999996185303,0.110436178743839,1.54763114452362
InChI%3D1S%2FC6H4N2O5%2Fc9-6-4%287%2810%2911%292-1-3-5%286%298%2812%2913%2Fh1-3%2C9H,6.59258079528809,7.85844564437866,-0.401944428682327,0.508046925067902,15.9999933242798,0.193561792373657,0.510781407356262,0.117647103965282,0.388378649950027,2.56041765213013,10.8433904647827,0.0202056188136339,3.89895606040955,0.13320717215538,3.61834383010864,18.7657718658447,11.9963550567627,0.192689448595047,1.13647544384003
InChI%3D1S%2FC7H8ClN%2Fc1-5-2-3-7%289%296%288%294-5%2Fh2-4H%2C9H2%2C1H3,6.66712474822998,9.06316089630127,-0.300834268331528,0.419474899768829,34.9693794250488,0.290866702795029,0.553603887557983,0.136025071144104,0.263884723186493,1.75935244560242,9.11404514312744,0.0149596687406301,4.80803442001343,0.0997379794716835,5.97476625442505,16.6248550415039,11.9985513687134,0.136209458112717,1.10910391807556
InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh2-3H%2C1H2,2.83372569084167,5.30750370025635,-0.382195264101028,0.441604912281036,16.0059242248535,0.280567824840546,0.5861936211586,0.419855803251266,0.292572945356369,0.829071521759033,1.66202032566071,3.28833743878931e-06,2.00464487075806,9.31824615690857e-06,3.21398043632507,4.49576139450073,11.9888439178467,0.226088061928749,1.44765436649323
InChI%3D1S%2FC6H5NO3%2Fc8-6-3-1-5%282-4-6%297%289%2910%2Fh1-4%2C8H,5.88280963897705,12.0092868804932,-0.325787425041199,0.495678871870041,31.9720726013184,0.266586869955063,0.491941034793854,0.164447352290154,0.311217486858368,1.8308333158493,7.41849422454834,2.54132430654863e-08,4.05197620391846,1.49501275359398e-07,4.54810667037964,13.3013048171997,11.8500003814697,0.280920445919037,1.15206730365753
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InChI%3D1S%2FC10H18O%2Fc1-9%282%298-4-6-10%283%2C11-9%297-5-8%2Fh8H%2C4-7H2%2C1-3H3,6.55880355834961,9.40177440643311,-0.390225172042847,0.554134726524353,15.9974184036255,0.107502065598965,0.533981025218964,0.473588854074478,0.273195743560791,1.79183733463287,13.6707229614258,0.250134825706482,3.12638115882874,1.64058518409729,6.6308126449585,29.4200305938721,11.9967393875122,0.0888477861881256,1.56170463562012
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InChI%3D1S%2F2C9H13N.H2O4S%2Fc2%2A1-8%2810%297-9-5-3-2-4-6-9%3B1-5%282%2C3%294%2Fh2%2A2-6%2C8H%2C7%2C10H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29,,8.71753120422363,-0.328851848840714,,31.9728298187256,,,,,,,,,,5.05649995803833,,11.9989995956421,0.412816911935806,
InChI%3D1S%2FC7H12O%2Fc1-3-5-6-7%288%294-2%2Fh2%2C7-8H%2C3%2C5-6H2%2C1H3,7.74274730682373,7.11952829360962,-0.406575053930283,0.46217954158783,15.9949159622192,0.358844429254532,0.471670478582382,0.34233957529068,0.118241436779499,0.915513575077057,9.6554651260376,0.0699660032987595,6.28550481796265,0.541729092597961,4.40588998794556,20.5155735015869,11.6899995803833,0.214918076992035,1.27618956565857
InChI%3D1S%2FC6H7N%2Fc1-6-4-2-3-5-7-6%2Fh2-5H%2C1H3,5.23146629333496,7.16738319396973,-0.324785083532333,0.44808492064476,14.0142469406128,0.26743483543396,0.594511985778809,0.142857119441032,0.288689076900482,1.51026725769043,6.02403211593628,0.021397789940238,3.6092574596405,0.111941821873188,5.60143089294434,11.8656873703003,11.9885540008545,0.0914115831255913,1.18545401096344
InChI%3D1S%2FC6H10O%2Fc1-3-5-6%287%294-2%2Fh3-4%2C6-7H%2C1-2%2C5H2,5.63729095458984,7.42250776290894,-0.388132452964783,0.448145657777786,15.9949159622192,0.241252332925797,0.496059000492096,0.454219728708267,0.231450781226158,1.30475533008575,8.0164041519165,0.113546118140221,3.69244313240051,0.640092492103577,4.86549234390259,16.737491607666,11.789999961853,0.129263490438461,1.39842438697815
InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3%2Ft8-%2C9%2B%2C10-%2Fm1%2Fs1,7.76942539215088,9.46119403839111,-0.417630910873413,0.479081004858017,15.9979438781738,0.230796590447426,0.522745966911316,0.471636980772018,0.228387147188187,1.77443695068359,15.689658164978,0.130550727248192,4.98068428039551,1.01430416107178,5.44846248626709,32.423412322998,11.9962491989136,0.0834553688764572,1.47346389293671
InChI%3D1S%2FC13H11NO2%2Fc15-12-9-5-4-8-11%2812%2913%2816%2914-10-6-2-1-3-7-10%2Fh1-9%2C15H%2C%28H%2C14%2C16%29,14.1450147628784,9.3331823348999,-0.359741449356079,0.354078203439713,15.995922088623,0.365975886583328,0.59334921836853,0.269626796245575,0.116922274231911,1.65386724472046,30.8102626800537,0.061776552349329,11.617317199707,0.873830258846283,5.30781507492065,61.7446174621582,11.8500003814697,0.175105601549149,1.21705424785614
InChI%3D1S%2FC12H9NO%2Fc14-12%2810-4-2-1-3-5-10%2911-6-8-13-9-7-11%2Fh1-9H,9.79305171966553,9.21914958953857,-0.287730872631073,0.509988248348236,15.9949178695679,0.298157602548599,0.585723996162415,0.358408242464066,0.168016269803047,1.64539206027985,20.4930744171143,0.10110692679882,7.1575140953064,0.990145325660706,5.3643364906311,41.9469833374023,11.8500003814697,0.193027079105377,1.45412051677704
InChI%3D1S%2FC7H7NO2%2Fc1-6-3-2-4-7%285-6%298%289%2910%2Fh2-5H%2C1H3,6.47551870346069,7.77664184570312,-0.275410950183868,0.475779354572296,16.0168704986572,0.23228557407856,0.547239542007446,0.117647759616375,0.342478305101395,2.21772480010986,9.83290672302246,0.0144742568954825,4.16406583786011,0.093728318810463,3.54915952682495,17.1739826202393,11.9989995956421,0.175356715917587,1.14066660404205
InChI%3D1S%2FC4H5N%2Fc1-2-4-5-3-1%2Fh1-5H,3.44684481620789,6.10835838317871,-0.345280349254608,0.655766010284424,14.0080556869507,0.100747279822826,0.632586359977722,0.502463698387146,0.380066066980362,1.31002879142761,3.64533543586731,0.152270883321762,1.61196196079254,0.524854063987732,5.78760480880737,8.20052337646484,11.9946517944336,0.025347888469696,1.79081606864929
InChI%3D1S%2FC7H5ClN2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-3H%2C10H2,5.90904712677002,8.71443462371826,-0.334467887878418,0.562073826789856,34.9688529968262,0.188453704118729,0.524285972118378,0.22853709757328,0.414257317781448,2.44786596298218,8.49573230743408,0.00113775057252496,3.45445823669434,0.00672302208840847,4.39909029006958,14.4616289138794,11.9935121536255,0.154104679822922,1.314896941185
InChI%3D1S%2FC6H12O2%2Fc1-5%287%298-6%282%2C3%294%2Fh1-4H3,6.15599298477173,7.88464641571045,-0.310055136680603,0.473226636648178,15.9959173202515,0.209994837641716,0.471384078264236,0.399389356374741,0.204146981239319,1.25672745704651,10.3994646072388,0.182526558637619,3.77563333511353,1.12363219261169,3.87893414497375,21.8870277404785,11.8900003433228,0.258849501609802,1.34400010108948
InChI%3D1S%2FC12H8O%2Fc1-3-7-11-9%285-1%2910-6-2-4-8-12%2810%2913-11%2Fh1-8H,9.34573364257812,9.45535469055176,-0.308664560317993,0.532888472080231,15.9949178695679,0.324085801839828,0.579254865646362,0.500043928623199,0.234552264213562,2.19206309318542,15.6812963485718,2.18890350289769e-09,7.15367031097412,2.04569090556106e-08,6.83765602111816,25.0270309448242,11.8500003814697,0.135647729039192,1.61218726634979
InChI%3D1S%2FC13H20O%2Fc1-10-6-5-9-13%283%2C4%2912%2810%298-7-11%282%2914%2Fh7-8H%2C5-6%2C9H2%2C1-4H3,10.3656454086304,11.0623216629028,-0.294703304767609,0.440022230148315,15.9949178695679,0.224072024226189,0.41640242934227,0.458740144968033,0.265633523464203,2.75346302986145,27.9057178497314,0.102270431816578,6.55208301544189,1.06009900569916,4.43002700805664,57.3965225219727,11.8900003433228,0.152430862188339,1.31516480445862
InChI%3D1S%2FC18H15O4P%2Fc19-23%2820-16-10-4-1-5-11-16%2C21-17-12-6-2-7-13-17%2922-18-14-8-3-9-15-18%2Fh1-15H,17.6279144287109,7.85526275634766,-0.246067151427269,0.453538328409195,30.973762512207,0.142445012927055,0.486240148544312,0.416407287120819,0.42519748210907,7.49534463882446,84.3278884887695,0.0515425018966198,9.22398281097412,0.908586800098419,4.1133828163147,164.772705078125,11.8500003814697,0.468826919794083,1.35618579387665
InChI%3D1S%2FC11H15NO%2Fc1-11%282%2C3%299-6-4-8%285-7-9%2910%2812%2913%2Fh4-7H%2C1-3H3%2C%28H2%2C12%2C13%29,10.1587104797363,9.66344451904297,-0.351244390010834,0.505368113517761,16.0059261322021,0.310712486505508,0.508411109447479,0.332989305257797,0.166456505656242,1.69098329544067,20.9483509063721,0.0859268680214882,7.59482097625732,0.872906148433685,4.43353319168091,42.3175468444824,11.9885530471802,0.304428607225418,1.34676849842072
InChI%3D1S%2FC10H22O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-10H2%2C1H3,17.4667797088623,7.43572425842285,-0.421722233295441,0.693773865699768,15.9979438781738,0.446088492870331,0.541799366474152,0.606004118919373,0.0447876751422882,0.782296478748322,20.724193572998,0.0270943380892277,16.2112331390381,0.473250836133957,3.94320487976074,44.1927375793457,11.9962491989136,0.0697342306375504,1.84157741069794
InChI%3D1S%2FC9H12O2%2Fc1-7-8%2810-2%295-4-6-9%287%2911-3%2Fh4-6H%2C1-3H3,9.003342628479,8.60542392730713,-0.349294304847717,0.419501751661301,15.9959192276001,0.279003411531448,0.487299352884293,0.260799795389175,0.271554350852966,2.44489693641663,17.3559074401855,0.0231077801436186,6.35039854049683,0.208047270774841,4.88548421859741,29.5894069671631,11.8900003433228,0.0999491587281227,1.16760087013245
InChI%3D1S%2FC14H20O3%2Fc1-3-4-5-6-9-17-13-8-7-12%2811-15%2910-14%2813%2916-2%2Fh7-8%2C10-11H%2C3-6%2C9H2%2C1-2H3,17.0743446350098,8.67718315124512,-0.375298082828522,0.4654341340065,15.998706817627,0.381172120571136,0.493036717176437,0.450429081916809,0.128328695893288,2.19112849235535,39.9979591369629,0.0301084704697132,14.3691339492798,0.514082431793213,3.9171769618988,73.2579956054688,11.9961957931519,0.149943560361862,1.40889990329742
InChI%3D1S%2FC2H3Cl3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2,3.19220280647278,9.97643280029297,-0.389718472957611,0.685137808322906,34.9710578918457,0.172732889652252,0.561189532279968,0.374451875686646,0.239352822303772,0.764062762260437,2.98676371574402,0.197003334760666,1.79926550388336,0.628874599933624,4.79124784469604,7.04351282119751,11.998706817627,0.317739456892014,1.62077915668488
InChI%3D1S%2FN3.Na%2Fc1-3-2%3B%2Fq-1%3B%2B1,,3.71343183517456,-0.269533097743988,,22.9897689819336,,,,,,,,,,-8.84833980308031e-07,,13.8930740356445,0.000251695280894637,
InChI%3D1S%2FC7H6N2O5%2Fc1-4-2-5%288%2811%2912%293-6%287%284%2910%299%2813%2914%2Fh2-3%2C10H%2C1H3,7.76379060745239,7.11486625671387,-0.1925930082798,0.505408823490143,34.9701538085938,0.132331445813179,0.49253186583519,0.100000388920307,0.48011189699173,3.72748827934265,15.3560104370117,0.0101128304377198,3.95778846740723,0.0785138979554176,5.25948715209961,24.2780857086182,11.9986352920532,0.087548516690731,1.09794104099274
InChI%3D1S%2FC6H11NO%2Fc8-7-6-4-2-1-3-5-6%2Fh8H%2C1-5H2,5.41206741333008,7.61651086807251,-0.266742676496506,0.501955211162567,15.9949169158936,0.192655339837074,0.362852036952972,0.315542489290237,0.30455294251442,1.64826107025146,8.0230655670166,0.105239950120449,3.19424080848694,0.569565713405609,4.01093482971191,16.4338645935059,11.8999996185303,0.0717309862375259,1.18034970760345
InChI%3D1S%2FC8H19N%2Fc1-2-3-4-5-6-7-8-9%2Fh2-9H2%2C1H3,12.8906993865967,7.30672121047974,-0.363884657621384,0.685530126094818,14.0091009140015,0.427603781223297,0.545872688293457,0.576023936271667,0.0608661472797394,0.784607231616974,14.8524866104126,0.0356621481478214,11.6463823318481,0.459710031747818,4.74782371520996,31.943941116333,11.9934787750244,0.0271397065371275,1.80742681026459
InChI%3D1S%2FC7H8%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3,5.28803396224976,7.50088262557983,-0.210179626941681,0.468266278505325,12.1500682830811,0.240003257989883,0.568046867847443,0.133333265781403,0.326880007982254,1.72855257987976,6.51416301727295,0.0197823010385036,3.4548716545105,0.104609481990337,5.76818132400513,12.4269170761108,11.8500003814697,0.0899037942290306,1.16964638233185
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-3-2-4-8%2811%295-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,7.59052753448486,8.38050746917725,-0.360429912805557,0.376100689172745,15.9959192276001,0.247637137770653,0.589427530765533,0.397255450487137,0.230109110474586,1.74664962291718,14.273829460144,0.106374703347683,5.03643798828125,0.807440102100372,4.70073890686035,28.967321395874,11.8500003814697,0.189215540885925,1.36278367042542
InChI%3D1S%2FC2H3Cl3%2Fc3-1-2%284%295%2Fh2H%2C1H2,2.7320556640625,8.76401519775391,-0.177462980151176,0.483063906431198,34.9710578918457,0.112782843410969,0.883501052856445,0.42013156414032,0.258656531572342,0.706664025783539,2.36144948005676,0.257633030414581,1.32152390480042,0.703867733478546,5.59424543380737,5.7508282661438,11.998706817627,0.212212473154068,1.78669655323029
InChI%3D1S%2FC9H13N%2Fc1-2-10-8-9-6-4-3-5-7-9%2Fh3-7%2C10H%2C2%2C8H2%2C1H3,8.28506755828857,8.51744365692139,-0.312300801277161,0.460635632276535,14.0030784606934,0.271440416574478,0.557874441146851,0.42192730307579,0.177137270569801,1.46759426593781,16.095272064209,0.127608865499496,5.76022529602051,1.05724799633026,5.12339353561401,33.3179664611816,11.8500003814697,0.0907398834824562,1.44043743610382
InChI%3D1S%2FC10H22O%2Fc1-3-5-7-9-11-10-8-6-4-2%2Fh3-10H2%2C1-2H3,13.2687520980835,6.91554260253906,-0.38064780831337,0.534170091152191,15.9949169158936,0.287909060716629,0.648598730564117,0.339079737663269,0.236038476228714,3.13193583488464,37.6510124206543,0.0467494390904903,9.51650905609131,0.620306730270386,5.0653190612793,69.4080657958984,11.8900003433228,0.0511504970490932,1.52184855937958
InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh5H%2C4H2%2C1H3,5.43954563140869,5.26001596450806,-0.406782597303391,0.439848810434341,15.9979419708252,0.378049373626709,0.797364115715027,0.385958522558212,0.107104398310184,0.582599282264709,4.20471715927124,0.0554964393377304,4.5550708770752,0.301875412464142,3.6579601764679,10.4453744888306,11.9964618682861,0.127963021397591,1.62317144870758
InChI%3D1S%2FC12H11NO2%2Fc1-13-12%2814%2915-11-8-4-6-9-5-2-3-7-10%289%2911%2Fh2-8H%2C1H3%2C%28H%2C13%2C14%29,11.5985240936279,9.70891571044922,-0.325481712818146,0.403323143720627,15.995922088623,0.271418571472168,0.504502236843109,0.298373013734818,0.272015929222107,3.15498352050781,29.703067779541,0.0327593237161636,8.0635814666748,0.37995982170105,4.77080821990967,50.967945098877,11.8500003814697,0.283342331647873,1.20619833469391
InChI%3D1S%2FC11H22O%2Fc1-3-4-5-6-7-8-9-10-11%282%2912%2Fh3-10H2%2C1-2H3,17.9989852905273,7.50503730773926,-0.385163754224777,0.454058259725571,16.0059261322021,0.437669277191162,0.562428534030914,0.382818311452866,0.0475598126649857,0.856028378009796,25.2339668273926,0.035547811537981,16.5031318664551,0.639824569225311,4.09353303909302,52.2718505859375,11.9885530471802,0.215318322181702,1.39930510520935
InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H,4.33078670501709,8.19937992095947,-0.199085682630539,0.524330496788025,34.9688529968262,0.147544637322426,0.444291889667511,0.408221423625946,0.469940483570099,2.03521180152893,4.67198085784912,9.23690401943844e-10,2.29557466506958,4.00030586433786e-09,5.88618183135986,9.00276756286621,11.8500003814697,0.101906009018421,1.37684381008148
InChI%3D1S%2FC4H6O%2Fc1-3-4%282%295%2Fh1%2C4-5H%2C2H3,3.82783269882202,5.9748420715332,-0.40361675620079,0.39584144949913,15.9979419708252,0.222028359770775,0.35471510887146,0.273865222930908,0.247203931212425,0.946255326271057,3.86489987373352,0.123424910008907,2.40912747383118,0.472449898719788,4.13177156448364,8.76975250244141,11.9964618682861,0.135319098830223,1.02442181110382
InChI%3D1S%2FC6H5ClO%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4%2C8H,4.85946321487427,8.25819301605225,-0.36041647195816,0.494808405637741,34.9688529968262,0.204120293259621,0.447256416082382,0.380789458751678,0.394506275653839,1.91708874702454,5.64079332351685,3.57433127540219e-09,2.94237446784973,1.73693326388502e-08,4.71643447875977,10.5002565383911,11.8500003814697,0.11776127666235,1.3228542804718
InChI%3D1S%2FC10H11BrO3%2Fc1-13-7-3-4-10%2814-2%298%285-7%299%2812%296-11%2Fh3-5H%2C6H2%2C1-2H3,10.117395401001,9.89331912994385,-0.349703848361969,0.459624588489532,78.9185180664062,0.217445611953735,0.469309359788895,0.275584369897842,0.330779850482941,3.34663033485413,25.5913619995117,0.0459593459963799,6.30577611923218,0.464988857507706,4.87152767181396,45.5214653015137,11.9988403320312,0.182078927755356,1.20451831817627
InChI%3D1S%2FC6H4N2O5%2Fc9-6-2-1-4%287%2810%2911%293-5%286%298%2812%2913%2Fh1-3%2C9H,6.73004245758057,8.88443470001221,-0.297225445508957,0.602232873439789,34.9693794250488,0.204627424478531,0.542159676551819,0.117903240025043,0.372951596975327,2.50998020172119,11.1655035018921,0.0208785012364388,4.07954931259155,0.140513211488724,4.02821350097656,19.334342956543,11.9985513687134,0.154784485697746,1.26229584217072
InChI%3D1S%2FC6H4Cl3N%2Fc7-3-1-2-4%2810%296%289%295%283%298%2Fh1-2H%2C10H2,5.71465063095093,10.4278841018677,-0.300656735897064,0.449235081672668,34.9710578918457,0.210568085312843,0.496800720691681,0.273210257291794,0.384475558996201,2.1971435546875,7.75721883773804,0.00143366004340351,3.50931406021118,0.00819286610931158,6.26292991638184,13.5350399017334,11.9985628128052,0.159212619066238,1.21924602985382
InChI%3D1S%2FC7H9NO%2Fc1-6%289%297-4-3-5-8%287%292%2Fh3-5H%2C1-2H3,6.43967342376709,8.74300765991211,-0.382153868675232,0.52305543422699,15.9949169158936,0.187762126326561,0.539358556270599,0.315784066915512,0.37767693400383,2.43211603164673,10.6821308135986,0.0386402271687984,3.75872683525085,0.248830452561378,4.58693408966064,19.3965282440186,11.9935121536255,0.171964794397354,1.37819802761078
InChI%3D1S%2FC11H17O4PS2%2Fc1-4-13-16%2817%2C14-5-2%2915-10-6-8-11%289-7-10%2918%283%2912%2Fh6-9H%2C4-5H2%2C1-3H3,17.1177444458008,10.6754837036133,-0.361343890428543,0.425426542758942,31.9751663208008,0.284523576498032,0.478253334760666,0.269317507743835,0.245695620775223,4.20575475692749,62.9934158325195,0.0416062884032726,12.1997833251953,0.712205767631531,4.99158668518066,116.653938293457,11.9989995956421,0.298007547855377,1.17299735546112
InChI%3D1S%2FC5H8N4%2Fc1-3-4%282%298-9-5%286%297-3%2Fh1-2H3%2C%28H2%2C6%2C7%2C9%29,5.77988529205322,8.43855094909668,-0.27795398235321,0.557934582233429,14.0060844421387,0.161580666899681,0.453214406967163,0.401046603918076,0.320907711982727,1.85480964183807,9.6693811416626,0.130318060517311,3.17185187339783,0.753223419189453,5.24327659606934,19.8806171417236,11.8900003433228,0.159144699573517,1.41219556331635
InChI%3D1S%2FC5H5BrN2%2Fc6-4-1-2-5%287%298-3-4%2Fh1-3H%2C%28H2%2C7%2C8%29,4.84970235824585,9.7261905670166,-0.306123614311218,0.536506533622742,78.9183349609375,0.147541478276253,0.399315774440765,0.316949635744095,0.372006356716156,1.80412006378174,6.71556377410889,0.0979383513331413,2.57061052322388,0.474971860647202,5.32768487930298,13.7680387496948,11.9945917129517,0.0739460363984108,1.25277185440063
InChI%3D1S%2FC9H20O%2Fc1-2-3-4-5-6-7-8-9-10%2Fh10H%2C2-9H2%2C1H3,14.6922426223755,7.35707378387451,-0.421720802783966,0.691031992435455,15.9979429244995,0.436237305402756,0.539695084095001,0.599967300891876,0.0531210489571095,0.780467391014099,17.1574459075928,0.031895887106657,13.4431533813477,0.468622148036957,3.94073820114136,36.7664451599121,11.9962692260742,0.0697207450866699,1.83069443702698
InChI%3D1S%2FC7H15NO%2Fc1-6%287%282%299%295-8%283%294%2Fh6H%2C5H2%2C1-4H3,6.1540470123291,8.34800624847412,-0.344978123903275,0.595050871372223,15.9949169158936,0.13200418651104,0.641856014728546,0.515959322452545,0.310919642448425,1.91341412067413,11.5812702178955,0.179741442203522,3.13449573516846,1.1061372756958,4.40868330001831,24.3694744110107,11.9935121536255,0.133679121732712,1.75286626815796
InChI%3D1S%2FC10H21N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3,7.59481382369995,9.53000831604004,-0.300464510917664,0.446408897638321,14.0030794143677,0.163980573415756,0.48404261469841,0.424853801727295,0.302050173282623,2.29401469230652,16.8077621459961,0.145975723862648,4.19214057922363,1.10865843296051,5.69215631484985,35.0643577575684,11.8999996185303,0.0559013783931732,1.35530531406403
InChI%3D1S%2FC8H8O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-4H%2C5-6H2,6.04981565475464,8.19418430328369,-0.34482878446579,0.501384139060974,15.9949169158936,0.255679935216904,0.593677401542664,0.235267400741577,0.294992685317993,1.78465127944946,8.37108993530273,0.0307674221694469,4.07902717590332,0.186137229204178,6.25058889389038,15.775918006897,11.8500003814697,0.115795120596886,1.33032894134521
InChI%3D1S%2FC5H10O2%2Fc1-3-4-7-5%282%296%2Fh3-4H2%2C1-2H3,6.50705289840698,5.99239110946655,-0.339878916740417,0.487950891256332,16.0060234069824,0.315513163805008,0.601588547229767,0.355150699615479,0.163051351904869,1.0609837770462,8.42588329315186,0.0829310864210129,4.90643215179443,0.539636969566345,3.61899375915527,17.7420959472656,11.9887399673462,0.332064062356949,1.44469010829926
InChI%3D1S%2FC6H14S2%2Fc1-3-5-7-8-6-4-2%2Fh3-6H2%2C1-2H3,9.61358547210693,10.2824459075928,-0.165716707706451,0.496787041425705,31.973072052002,0.341805130243301,0.669726312160492,0.471002250909805,0.142191827297211,1.36697328090668,16.2855110168457,0.0687346756458282,7.58582544326782,0.660786688327789,5.75672149658203,32.7512054443359,11.8900003433228,0.0552015490829945,1.63751554489136
InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,5.35393524169922,9.41702556610107,-0.356718212366104,0.438616067171097,34.9710578918457,0.179163172841072,0.470816880464554,0.470704406499863,0.427782446146011,2.29031944274902,7.01665878295898,4.75840367109015e-10,3.0636157989502,2.54761856055552e-09,5.6944317817688,12.3705940246582,11.9985628128052,0.150100141763687,1.38013732433319
InChI%3D1S%2FC9H21N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh4-9H2%2C1-3H3,7.82999658584595,8.85288047790527,-0.302894741296768,0.481024026870728,14.0030784606934,0.153299689292908,0.498280823230743,0.451605260372162,0.321785748004913,2.51958131790161,18.011381149292,0.14048133790493,4.21044683456421,1.09996843338013,5.31243562698364,37.5104637145996,11.8900003433228,0.057039849460125,1.43091011047363
InChI%3D1S%2FC8H10N4O2%2Fc1-10-4-9-6-5%2810%297%2813%2912%283%298%2814%2911%286%292%2Fh4H%2C1-3H3,8.08834743499756,9.91526031494141,-0.286823213100433,0.460461646318436,15.9959230422974,0.127148941159248,0.434454649686813,0.395396590232849,0.384809046983719,3.11246943473816,19.1825733184814,0.112325690686703,4.06734895706177,0.908529222011566,4.99944353103638,38.7724456787109,11.9934787750244,0.284971743822098,1.2903128862381
InChI%3D1S%2FC4H12N.ClH%2Fc1-5%282%2C3%294%3B%2Fh1-4H3%3B1H%2Fq%2B1%3B%2Fp-1,,7.6743950843811,-0.386426478624344,,34.9688529968262,,,,,,,,,,2.34299874305725,,11.9936571121216,0.00850563868880272,
InChI%3D1S%2FC9H13N%2Fc1-10%282%298-9-6-4-3-5-7-9%2Fh3-7H%2C8H2%2C1-2H3,8.08767604827881,8.67463207244873,-0.304209798574448,0.500600218772888,14.0030784606934,0.287958830595016,0.554933965206146,0.383809357881546,0.192705661058426,1.55854105949402,14.3992509841919,0.0900159105658531,5.80111598968506,0.728019535541534,5.74754667282104,29.0691547393799,11.8500003814697,0.0907490104436874,1.4393435716629
InChI%3D1S%2FC6H9NO%2Fc1-4-5%282%298-6%283%297-4%2Fh1-3H3,5.72750520706177,7.83063364028931,-0.380480885505676,0.428866028785706,15.9974184036255,0.159516155719757,0.469041377305984,0.473894536495209,0.341080516576767,1.95354032516479,9.39480495452881,0.112897947430611,3.12734127044678,0.646623611450195,5.4961142539978,19.0727844238281,11.9968357086182,0.106494545936584,1.37180197238922
InChI%3D1S%2FC12H12N2%2Fc1%2811-3-7-13-8-4-11%292-12-5-9-14-10-6-12%2Fh3-10H%2C1-2H2,11.3522825241089,8.82590007781982,-0.264992654323578,0.540976226329803,14.0040864944458,0.351192653179169,0.566667020320892,0.249878987669945,0.170422539114952,1.93468475341797,21.1112899780273,0.0279872585088015,9.09987831115723,0.317719250917435,6.04848432540894,38.0571441650391,11.8500003814697,0.147387206554413,1.3575222492218
InChI%3D1S%2FC7H10O2%2Fc1-4-5-9-7%288%296%282%293%2Fh4H%2C1-2%2C5H2%2C3H3,9.09317207336426,7.40301561355591,-0.307951807975769,0.360038787126541,15.9959182739258,0.354001522064209,0.588938057422638,0.406670600175858,0.115747757256031,1.0525141954422,13.717963218689,0.0789168775081635,7.32305288314819,0.717604696750641,4.38336944580078,28.3421573638916,11.8900003433228,0.288610875606537,1.35564744472504
InChI%3D1S%2FC20H28O2%2Fc1-13%282%2914-6-8-16-15%2812-14%297-9-17-19%2816%2C3%2910-5-11-20%2817%2C4%2918%2821%2922%2Fh6%2C8%2C12-13%2C17H%2C5%2C7%2C9-11H2%2C1-4H3%2C%28H%2C21%2C22%29%2Ft17-%2C19-%2C20-%2Fm1%2Fs1,16.0377979278564,12.6504459381104,-0.33116340637207,0.552679300308228,15.995924949646,0.3305823802948,0.564615070819855,0.37952521443367,0.143897816538811,2.30780410766602,48.0115928649902,0.0819923281669617,12.415018081665,1.31497645378113,4.89612483978271,101.72534942627,11.8500003814697,0.265197455883026,1.49681961536407
InChI%3D1S%2FC5H12N2%2Fc1-7-4-2-6-3-5-7%2Fh6H%2C2-5H2%2C1H3,4.56528472900391,7.40838384628296,-0.31366166472435,0.527161419391632,14.0040788650513,0.0842397585511208,0.46981406211853,0.41366845369339,0.369703680276871,1.68780267238617,6.57163047790527,0.184643298387527,2.03453302383423,0.842949271202087,5.65193176269531,14.0315103530884,11.8999996185303,0.110023953020573,1.41064393520355
InChI%3D1S%2FC3H6O%2Fc1-2-3-4%2Fh2%2C4H%2C1%2C3H2,3.40002512931824,5.39375638961792,-0.41696897149086,0.428535789251328,15.9979419708252,0.318344116210938,0.520951151847839,0.198908373713493,0.195044204592705,0.663155198097229,2.22813272476196,0.047163650393486,2.57651233673096,0.160357594490051,3.71449542045593,5.90214920043945,11.9965486526489,0.0868285745382309,1.1483952999115
InChI%3D1S%2FC6H4N2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H,4.82430410385132,7.34688234329224,-0.310624957084656,0.471656650304794,14.014349937439,0.251702636480331,0.421834111213684,0.444195181131363,0.331063061952591,1.59714889526367,5.15424919128418,8.61216236103246e-08,3.22715497016907,4.15476904436218e-07,4.05721569061279,9.97855567932129,11.9885540008545,0.172560930252075,1.33768594264984
InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H,5.2150731086731,7.6498818397522,-0.29739835858345,0.51389080286026,15.9949159622192,0.228936493396759,0.514883279800415,0.332016736268997,0.361418008804321,1.88482129573822,6.27692985534668,1.25716148602351e-09,3.33025169372559,6.5561893691779e-09,3.79509139060974,11.4920024871826,11.8500003814697,0.149764657020569,1.36079084873199
InChI%3D1S%2FC9H13BrN2O2%2Fc1-4-5%282%2912-8%2813%297%2810%296%283%2911-9%2812%2914%2Fh5H%2C4H2%2C1-3H3%2C%28H%2C11%2C14%29,8.84538745880127,11.0551624298096,-0.364678919315338,0.458719938993454,78.9183349609375,0.245515331625938,0.601592779159546,0.47087574005127,0.196756556630135,1.74038791656494,19.734582901001,0.142556339502335,5.84403324127197,1.26096606254578,5.59820222854614,41.4051132202148,11.9886016845703,0.303265899419785,1.53118848800659
InChI%3D1S%2FC6H12O%2Fc1-5%282%294-6%283%297%2Fh5H%2C4H2%2C1-3H3,5.10172748565674,7.40813255310059,-0.385114282369614,0.454001933336258,16.0059242248535,0.190873548388481,0.497678399085999,0.467560648918152,0.257471412420273,1.31354904174805,7.34280300140381,0.154697179794312,2.99895572662354,0.789222896099091,4.0960111618042,15.5534973144531,11.9886989593506,0.215502932667732,1.41924095153809
InChI%3D1S%2FC7H10N2%2Fc1-9%282%297-5-3-4-6-8-7%2Fh3-6H%2C1-2H3,6.99507427215576,8.25738143920898,-0.310460329055786,0.594821274280548,14.014349937439,0.264751970767975,0.605038583278656,0.199322044849396,0.28672006726265,2.00562810897827,10.9118366241455,0.0269439555704594,4.80097103118896,0.188474968075752,5.8244686126709,19.7217292785645,11.9885187149048,0.108234971761703,1.39918184280396
InChI%3D1S%2FC13H10ClNO%2Fc14-10-7-5-9%286-8-10%2913%2816%2911-3-1-2-4-12%2811%2915%2Fh1-8H%2C15H2,10.8937797546387,9.84610748291016,-0.30195426940918,0.378132402896881,34.9688529968262,0.285567730665207,0.535700023174286,0.448485136032104,0.167633011937141,1.8261570930481,26.5821762084961,0.118276685476303,7.77914237976074,1.28848016262054,5.58255386352539,55.7800254821777,11.8500003814697,0.19445139169693,1.36231756210327
InChI%3D1S%2FC8H8O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-6H%2C1H3,6.48552131652832,8.29063034057617,-0.29402694106102,0.473846197128296,15.9949169158936,0.280892431735992,0.565386354923248,0.134644076228142,0.267047166824341,1.73194003105164,8.98013114929199,0.0250962767750025,4.59081888198853,0.162762433290482,4.43584012985229,16.7597808837891,11.8500003814697,0.159554526209831,1.17387664318085
InChI%3D1S%2FC8H18S%2Fc1-3-5-7-9-8-6-4-2%2Fh3-8H2%2C1-2H3,9.8158016204834,8.99904441833496,-0.170406445860863,0.525269150733948,31.9720706939697,0.28202822804451,0.6463942527771,0.360378235578537,0.231550693511963,2.27285552024841,21.1819038391113,0.0590783320367336,6.9630446434021,0.579901158809662,5.32749080657959,40.1752166748047,11.8900003433228,0.0499920696020126,1.53204166889191
InChI%3D1S%2FC10H18O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7-8%2C11H%2C4-6H2%2C1-3H3%2Ft7-%2C8%2B%2C10%2B%2Fm0%2Fs1,6.04814863204956,10.63401222229,-0.391914576292038,0.481321275234222,15.9949169158936,0.0254027023911476,0.418503522872925,0.479817301034927,0.330194473266602,1.99706530570984,12.1549310684204,0.302601933479309,2.22090196609497,1.83018136024475,5.51274633407593,26.3204574584961,11.8999996185303,0.127374112606049,1.3796421289444
InChI%3D1S%2FC6H12O%2Fc1-3-4-6%282%295-7%2Fh5-6H%2C3-4H2%2C1-2H3,8.41283893585205,7.47663021087646,-0.388801485300064,0.440021395683289,16.0059242248535,0.120114363729954,0.389079660177231,0.407215237617493,0.361732125282288,3.04319429397583,21.3976573944092,0.144782051444054,4.15161657333374,1.21802806854248,3.68711113929749,45.1992797851562,11.9886989593506,0.208773478865623,1.23631632328033
InChI%3D1S%2FC8H18O%2Fc1-3-5-7-9-8-6-4-2%2Fh3-8H2%2C1-2H3,12.3022937774658,6.5815052986145,-0.380642294883728,0.496130347251892,15.9949169158936,0.389353334903717,0.59588497877121,0.39044201374054,0.100809939205647,1.24019360542297,19.7467555999756,0.0467189624905586,10.4873504638672,0.574750423431396,5.00828742980957,39.5244522094727,11.8900003433228,0.0518502928316593,1.482457280159
InChI%3D1S%2FC8H9NO2%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3%2C%28H2%2C9%2C10%29,7.56129026412964,8.85850620269775,-0.367292374372482,0.497965842485428,15.9982604980469,0.146215960383415,0.5496985912323,0.100005097687244,0.461067736148834,3.48626685142517,14.5281181335449,0.0106443203985691,3.99453830718994,0.0804847925901413,4.9187593460083,23.210241317749,11.9962921142578,0.189767450094223,1.14766955375671
InChI%3D1S%2FC11H17NO%2Fc1-3-12%287-8-13%2911-6-4-5-10%282%299-11%2Fh4-6%2C9%2C13H%2C3%2C7-8H2%2C1-2H3,9.81886386871338,9.59282493591309,-0.394430637359619,0.565836787223816,15.9949178695679,0.196854472160339,0.569064915180206,0.470076471567154,0.294424802064896,2.89091730117798,26.3334522247314,0.109769225120544,5.85013771057129,1.07780909538269,4.24669885635376,54.3805084228516,11.8500003814697,0.105160921812057,1.6049782037735
InChI%3D1S%2FC2H3Cl3%2Fc1-2%283%2C4%295%2Fh1H3,2.74476671218872,9.74131965637207,-0.146236628293991,0.418780118227005,34.9710578918457,0.115586459636688,0.897507786750793,0.418761253356934,0.256287395954132,0.703449130058289,2.37704467773438,0.256263971328735,1.33793270587921,0.703384876251221,6.56807088851929,5.78381443023682,11.998706817627,0.29441624879837,1.73504912853241
InChI%3D1S%2FC12H10O2%2Fc13-10-6-8-12%289-7-10%2914-11-4-2-1-3-5-11%2Fh1-9%2C13H,11.1938323974609,8.35081481933594,-0.360447317361832,0.364636719226837,15.9959211349487,0.349092990159988,0.559930086135864,0.29398912191391,0.108175709843636,1.21090078353882,21.4000759124756,0.0930336490273476,8.9415283203125,1.04140305519104,4.72221946716309,43.869499206543,11.8500003814697,0.105715654790401,1.21855592727661
InChI%3D1S%2FC6H10O%2Fc7-6-4-2-1-3-5-6%2Fh1-5H2,16.0752639770508,11.1713848114014,-0.369394540786743,0.333942651748657,16.0068950653076,0.244903728365898,0.478501826524734,0.425896108150482,0.238883256912231,3.84011173248291,64.2486801147461,0.10124509781599,10.6076107025146,1.6275417804718,4.2905216217041,146.620895385742,11.9884052276611,0.295939773321152,1.2383406162262
InChI%3D1S%2FC6H13Br%2Fc1-2-3-4-5-6-7%2Fh2-6H2%2C1H3,7.3531494140625,8.16811466217041,-0.196193292737007,0.717792630195618,78.9185180664062,0.371343433856964,0.531788051128387,0.599932372570038,0.107623264193535,0.79136997461319,8.05595684051514,0.0639188066124916,6.09177494049072,0.470004558563232,5.14568424224854,17.6749267578125,11.9988508224487,0.0854166895151138,1.84951305389404
InChI%3D1S%2FC7H14O%2Fc1-6%282%294-5-7%283%298%2Fh6H%2C4-5H2%2C1-3H3,6.58166885375977,7.5250768661499,-0.385158747434616,0.476781934499741,16.0059242248535,0.274378746747971,0.527255415916443,0.466314733028412,0.196704924106598,1.29464673995972,9.99840831756592,0.104123398661613,4.6017165184021,0.685305714607239,4.09601068496704,20.6628532409668,11.9886627197266,0.215299978852272,1.47035205364227
InChI%3D1S%2FC9H19NO%2Fc1-4-10%285-2%298-6-7-9%283%2911%2Fh4-8H2%2C1-3H3,8.60768795013428,8.4800386428833,-0.385157734155655,0.398238927125931,16.0059261322021,0.208671405911446,0.447617143392563,0.41000708937645,0.267636656761169,2.3037326335907,19.9963874816895,0.120801478624344,5.2641339302063,1.03982138633728,4.12507486343384,41.2141532897949,11.9886016845703,0.215354114770889,1.25586318969727
InChI%3D1S%2FC14H23N%2Fc1-2-3-4-5-6-7-8-13-9-11-14%2815%2912-10-13%2Fh9-12H%2C2-8%2C15H2%2C1H3,21.9470443725586,8.88481140136719,-0.302492558956146,0.397191107273102,14.0030813217163,0.432690590620041,0.554301619529724,0.442657023668289,0.047355193644762,1.03930652141571,40.3155250549316,0.0423906967043877,19.977388381958,0.930350542068481,5.13253355026245,81.5790939331055,11.8500003814697,0.0996794253587723,1.39414978027344
InChI%3D1S%2F2C21H22N2O2.H2O4S%2Fc2%2A24-18-10-16-19-13-9-17-21%286-7-22%2817%2911-12%2813%295-8-25-16%2914-3-1-2-4-15%2814%2923%2818%2920%2819%2921%3B1-5%282%2C3%294%2Fh2%2A1-5%2C13%2C16-17%2C19-20H%2C6-11H2%3B%28H2%2C1%2C2%2C3%2C4%29%2Ft2%2A13-%2C16-%2C17-%2C19%3F%2C20-%2C21%2B%3B%2Fm00.%2Fs1,,13.6672554016113,-0.373908698558807,,31.9728317260742,,,,,,,,,,5.05649995803833,,11.9989995956421,0.412936419248581,
InChI%3D1S%2FC10H12O4%2Fc1-12-8-5-10%2814-3%299%2813-2%294-7%288%296-11%2Fh4-6H%2C1-3H3,10.1383676528931,8.61174011230469,-0.375307023525238,0.576739549636841,15.9992876052856,0.175055906176567,0.57368004322052,0.402952522039413,0.380401194095612,3.85664701461792,27.3055095672607,0.0528576150536537,5.74583053588867,0.53588992357254,4.03554821014404,49.3190040588379,11.9962491989136,0.152535945177078,1.5533721446991
InChI%3D1S%2FC10H18O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-7%2C10H2%2C1H3,16.3718414306641,7.35646438598633,-0.406791627407074,0.471537917852402,15.9979438781738,0.430137395858765,0.525420546531677,0.50887668132782,0.0640940740704536,1.04933798313141,23.1411304473877,0.0290560722351074,14.8468027114868,0.475701421499252,3.81358575820923,46.924072265625,11.9962491989136,0.128023475408554,1.50583517551422
InChI%3D1S%2FC12H14O4%2Fc1-3-15-11%2813%299-7-5-6-8-10%289%2912%2814%2916-4-2%2Fh5-8H%2C3-4H2%2C1-2H3,11.7105026245117,9.43235492706299,-0.313052445650101,0.600542604923248,15.9979267120361,0.167168006300926,0.537689745426178,0.317009389400482,0.385263562202454,4.51163005828857,36.9418792724609,0.0585124157369137,6.51366281509399,0.685209810733795,4.7785701751709,68.7888031005859,11.8900003433228,0.295095503330231,1.45524168014526
InChI%3D1S%2FC7H7F%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C1H3,5.38498401641846,7.45538234710693,-0.239136949181557,0.45691853761673,19.0001335144043,0.235490456223488,0.5721635222435,0.133333057165146,0.333271473646164,1.79466164112091,6.80772066116333,0.0194079130887985,3.48581123352051,0.104511298239231,4.14896297454834,12.8465118408203,11.9974966049194,0.159136742353439,1.16241502761841
InChI%3D1S%2FC6H5Cl2N%2Fc7-5-2-1-4%289%293-6%285%298%2Fh1-3H%2C9H2,5.49704456329346,9.45399856567383,-0.302415043115616,0.476294547319412,34.9701538085938,0.223635956645012,0.489224493503571,0.276817113161087,0.366939634084702,2.01708364486694,7.04886960983276,0.00154575274791569,3.47146391868591,0.00849707145243883,5.77393245697021,12.6054124832153,11.9985628128052,0.143411830067635,1.24233615398407
InChI%3D1S%2FC8H6ClNO3%2Fc1-5%2811%296-2-3-7%289%298%284-6%2910%2812%2913%2Fh2-4H%2C1H3,8.05394172668457,9.00679779052734,-0.298838943243027,0.473136842250824,34.9688529968262,0.289088368415833,0.545082271099091,0.173875033855438,0.256996393203735,2.06983399391174,13.5153169631958,0.0242190882563591,5.78904867172241,0.19505912065506,3.84556651115417,23.9065284729004,11.9989995956421,0.184763386845589,1.19209420681
InChI%3D1S%2FC6H5N3O4%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2812%2913%2Fh1-3H%2C7H2,7.07155275344849,8.16714096069336,-0.320906460285187,0.521625995635986,16.0169982910156,0.233935058116913,0.522260725498199,0.162006422877312,0.34883850812912,2.4668300151825,11.5499181747437,0.00591474771499634,4.56289672851562,0.0418264530599117,3.59359383583069,19.0922660827637,11.9989995956421,0.179348975419998,1.20589315891266
InChI%3D1S%2FC2H3F3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2,2.76235890388489,4.2035059928894,-0.386568427085876,0.759814143180847,19.0012512207031,0.221739828586578,0.598301351070404,0.431268811225891,0.213628843426704,0.590119540691376,2.03725838661194,0.15738470852375,1.73748636245728,0.434753060340881,2.58600783348083,5.24538040161133,11.9978256225586,0.431900769472122,1.78938436508179
InChI%3D1S%2FC6H10O3%2Fc1-3-6%288%299-4-5%282%297%2Fh3%2C5%2C7H%2C1%2C4H2%2C2H3,8.2238655090332,6.4501519203186,-0.415068060159683,0.399224311113358,15.9987020492554,0.363855123519897,0.521316826343536,0.414493232965469,0.108700573444366,0.893938839435577,10.5837841033936,0.0728259459137917,6.73101568222046,0.598910808563232,4.07130527496338,22.4113655090332,11.9963550567627,0.28545269370079,1.33503437042236
InChI%3D1S%2FC9H21N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-10H2%2C1H3,14.6149778366089,7.39587211608887,-0.363886028528214,0.506609439849854,14.0091009140015,0.424809843301773,0.576718151569366,0.423717588186264,0.059620525687933,0.871352672576904,19.7845439910889,0.040633000433445,13.1497745513916,0.593850433826447,4.75276327133179,41.203914642334,11.9934511184692,0.0271630398929119,1.50704526901245
InChI%3D1S%2FC7HF5O%2Fc8-3-2%281-13%294%289%296%2811%297%2812%295%283%2910%2Fh1H,5.75849390029907,7.50200748443604,-0.297212839126587,0.464249163866043,19.0029010772705,0.216481000185013,0.515641033649445,0.157330974936485,0.370073258876801,2.13106441497803,7.89429616928101,0.00795209500938654,3.58163714408875,0.0457920879125595,3.75809764862061,14.0023069381714,11.9974966049194,0.205795362591743,1.13722109794617
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh6H%2C2-5H2%2C1H3,6.80162477493286,6.77340793609619,-0.38946196436882,0.61402416229248,16.0059242248535,0.366579473018646,0.523939073085785,0.532184302806854,0.111773870885372,0.760243892669678,7.10762786865234,0.0661201551556587,5.59165668487549,0.449724495410919,3.40818333625793,15.8210420608521,11.9886989593506,0.206335827708244,1.67014765739441
InChI%3D1S%2FC12H15NO3%2Fc1-12%282%297-8-5-4-6-9%2810%288%2916-12%2915-11%2814%2913-3%2Fh4-6H%2C7H2%2C1-3H3%2C%28H%2C13%2C14%29,11.7643938064575,9.2446813583374,-0.357960015535355,0.412802696228027,15.9983062744141,0.198393285274506,0.574671447277069,0.47755691409111,0.296990782022476,3.49391627311707,37.5970191955566,0.105151511728764,7.03343343734741,1.23704373836517,4.74211311340332,79.7608108520508,11.996711730957,0.283414870500565,1.46503114700317
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3,4.99600458145142,6.81850528717041,-0.331851780414581,0.435843259096146,16.0009727478027,0.218263685703278,0.642654478549957,0.398124694824219,0.312432825565338,1.56091570854187,6.34702634811401,0.0632155984640121,3.11926317214966,0.315825402736664,3.80328798294067,12.8807554244995,11.9989995956421,0.0421749949455261,1.47662246227264
InChI%3D1S%2FC8H10O2%2Fc1-9-7-3-5-8%2810-2%296-4-7%2Fh3-6H%2C1-2H3,8.80247688293457,7.48105478286743,-0.377485126256943,0.410137623548508,15.9982595443726,0.341680318117142,0.530105531215668,0.199999779462814,0.192864745855331,1.69768750667572,13.1759519577026,0.0182281564921141,6.94433689117432,0.16045293211937,4.6850643157959,23.870059967041,11.9962921142578,0.0770856812596321,1.14024293422699
InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3,1.95176196098328,4.01851272583008,-0.390170723199844,0.546652674674988,16.0059242248535,0.218780159950256,0.792003035545349,0.28571417927742,0.260141551494598,0.507734358310699,1.00656604766846,0.114818245172501,1.21992969512939,0.22409787774086,2.80404543876648,3.09713435173035,11.9889106750488,0.203633710741997,1.62436985969543
InChI%3D1S%2FC9H9N%2Fc1-7-6-10-9-5-3-2-4-8%287%299%2Fh2-6%2C10H%2C1H3,6.80626916885376,9.12541484832764,-0.287613570690155,0.531081974506378,14.0030784606934,0.215355023741722,0.543523192405701,0.192218065261841,0.333143532276154,2.26746439933777,11.6247978210449,0.0463831201195717,4.22310876846313,0.315696030855179,6.2520866394043,21.4540920257568,11.8500003814697,0.109568685293198,1.26682329177856
InChI%3D1S%2FC3H9NO%2Fc1-5-3-2-4%2Fh2-4H2%2C1H3,4.36054182052612,5.52023410797119,-0.382597327232361,0.519974052906036,15.9949159622192,0.277846693992615,0.638379454612732,0.383832693099976,0.189479470252991,0.826233148574829,4.34837770462036,0.106724940240383,3.06893014907837,0.465378612279892,4.16186857223511,9.88895797729492,11.9937324523926,0.0591981932520866,1.5421861410141
InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3,6.98055696487427,8.59088039398193,-0.280728697776794,0.609062433242798,14.0030784606934,0.251885294914246,0.582753121852875,0.177486971020699,0.306725293397903,2.14111351966858,11.1474637985229,0.0240943152457476,4.67125177383423,0.168191745877266,5.90784358978271,19.8102207183838,11.8500003814697,0.098161906003952,1.36930251121521
InChI%3D1S%2FC6H8O%2Fc1-5-3-4-6%282%297-5%2Fh3-4H%2C1-2H3,,6.74091863632202,-0.406360983848572,,16.0005397796631,,,,,,,,,,5.36668729782104,,11.9939165115356,0.143871814012527,
InChI%3D1S%2FC12H10%2Fc1-3-9-4-2-6-11-8-7-10%285-1%2912%289%2911%2Fh1-6H%2C7-8H2,7.70327854156494,9.96127414703369,-0.175934448838234,0.569683909416199,12.1501417160034,0.125107675790787,0.487382739782333,0.181818142533302,0.481380045413971,3.70820474624634,15.362907409668,0.0184763800352812,3.85274529457092,0.142328709363937,7.32115602493286,25.0996036529541,11.8500003814697,0.125455364584923,1.238884806633
InChI%3D1S%2FC5H13N%2Fc1-5%282%2C3%294-6%2Fh4%2C6H2%2C1-3H3,4.34618043899536,8.18700218200684,-0.363005340099335,0.463462144136429,14.0090990066528,0.0801039859652519,0.447780400514603,0.553744196891785,0.284781485795975,1.23771166801453,6.13437509536743,0.275079846382141,1.91292190551758,1.19554662704468,5.0735445022583,13.3111867904663,11.993597984314,0.031598050147295,1.46498680114746
InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%297%282%295-6%2Fh3-5%2C9H%2C1-2H3,6.9075813293457,8.09749031066895,-0.36015048623085,0.493603527545929,15.9949169158936,0.247694090008736,0.598421037197113,0.210524216294289,0.312421500682831,2.15807676315308,11.0092792510986,0.0239864010363817,4.58381652832031,0.165688008069992,4.98715209960938,19.5558853149414,11.8500003814697,0.113887079060078,1.30254876613617
InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3,3.23549818992615,8.06100273132324,-0.213894069194794,0.462885737419128,34.9701538085938,0.158916518092155,0.569495618343353,0.496183305978775,0.251734703779221,0.814487099647522,3.13077783584595,0.203043282032013,1.76406478881836,0.656946182250977,5.41362619400024,7.31018161773682,11.9986352920532,0.113158449530602,1.52856469154358
InChI%3D1S%2FC6H7N%2Fc1-6-2-4-7-5-3-6%2Fh2-5H%2C1H3,4.8889594078064,7.41750621795654,-0.264014601707458,0.502408683300018,14.003077507019,0.207168161869049,0.617347478866577,0.142857134342194,0.367513030767441,1.79675626754761,5.89000797271729,0.0229294337332249,2.98010206222534,0.112101070582867,5.726487159729,11.3792142868042,11.8500003814697,0.147181332111359,1.26261329650879
InChI%3D1S%2FC4H6O2%2Fc5-3-1-2-4-6%2Fh5-6H%2C3-4H2,6.22459268569946,5.37864208221436,-0.406801015138626,0.38806539773941,15.9982576370239,0.382411867380142,0.765334606170654,0.336262583732605,0.0937525108456612,0.583571195602417,5.35123634338379,0.0630316510796547,5.24867534637451,0.392346352338791,3.68745589256287,12.7775764465332,11.9964618682861,0.128105983138084,1.48966264724731
InChI%3D1S%2FC5H10O%2Fc1-3-4-5%282%296%2Fh3-4H2%2C1-2H3,5.10537528991699,6.54550695419312,-0.385160118341446,0.428248792886734,16.0059242248535,0.300631314516068,0.561308860778809,0.424202650785446,0.151890903711319,0.775460064411163,5.53793716430664,0.113934017717838,3.74823927879333,0.581675946712494,3.93742108345032,12.3340177536011,11.9887399673462,0.215269699692726,1.41376030445099
InChI%3D1S%2FC9H11NO%2Fc1-10%282%299-5-3-8%287-11%294-6-9%2Fh3-7H%2C1-2H3,8.61175918579102,8.76669502258301,-0.29746076464653,0.598337352275848,15.9949178695679,0.308706730604172,0.537849485874176,0.157674193382263,0.237075179815292,2.04163432121277,14.4072675704956,0.0179825164377689,6.41526365280151,0.154861092567444,3.86844992637634,25.0473403930664,11.8500003814697,0.149795457720757,1.29386103153229
InChI%3D1S%2FC3H2F6O%2Fc4-2%285%2C6%291%2810%293%287%2C8%299%2Fh1%2C10H,3.68685221672058,5.32450532913208,-0.376508861780167,0.440321862697601,19.0038108825684,0.141876697540283,0.500873446464539,0.376121491193771,0.322252660989761,1.18809795379639,4.07136392593384,0.155245080590248,1.92638862133026,0.572365701198578,2.86783647537231,9.06821155548096,11.9976863861084,0.443044543266296,1.31731677055359
InChI%3D1S%2FC8H6Br4%2Fc9-7%2810%295-3-1-2-4-6%285%298%2811%2912%2Fh1-4%2C7-8H,6.84228849411011,13.0899963378906,-0.15388286113739,0.549311876296997,78.92138671875,0.103801161050797,0.553600549697876,0.222222208976746,0.464510858058929,3.1783173084259,13.0532875061035,0.0637542605400085,3.22774624824524,0.436225056648254,7.88131237030029,24.3707218170166,11.9988441467285,0.191821739077568,1.32513463497162
InChI%3D1S%2FC10H10O2%2Fc1-8%2811%297-10%2812%299-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3,9.05915260314941,8.80244445800781,-0.299171984195709,0.475596636533737,15.9959192276001,0.316258758306503,0.573833227157593,0.345160484313965,0.173299565911293,1.56994724273682,16.1996688842773,0.0716887339949608,6.83976602554321,0.649439215660095,4.23564338684082,32.2325477600098,11.8500003814697,0.169939026236534,1.39459037780762
InChI%3D1S%2FC6H6ClN%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C8H2,5.19292688369751,8.74905204772949,-0.300831109285355,0.465947687625885,34.9693794250488,0.206826969981194,0.544486284255981,0.267450541257858,0.389285027980804,2.02152848243713,6.43755531311035,0.00161235162522644,3.16302514076233,0.00837282370775938,5.89617967605591,11.6840190887451,11.9985628128052,0.135978311300278,1.2778844833374
InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%2811%295%289%296%2810%294%282%298%2Fh1%2C11H,5.62552070617676,10.7620229721069,-0.357775121927261,0.429018288850784,34.9720077514648,0.166828393936157,0.479347914457321,0.2633455991745,0.444228798151016,2.49901843070984,7.81318759918213,8.81459460977396e-10,3.1265025138855,4.9586685868519e-09,5.69443273544312,13.4387083053589,11.9985628128052,0.170035168528557,1.1717118024826
InChI%3D1S%2FC6H12N2%2Fc1-2-8-5-3-7%281%294-6-8%2Fh1-6H2,4.48103427886963,7.89301586151123,-0.299698650836945,0.543100714683533,14.0040798187256,0.0259923972189426,0.543105900287628,0.901217222213745,0.367978751659393,1.64892542362213,6.62089490890503,0.264031410217285,1.64897525310516,1.18313372135162,7.00050020217896,14.3189134597778,11.8999996185303,0.111850574612617,1.98742377758026
InChI%3D1S%2FC6HCl3N2O4%2Fc7-2-1-3%288%296%2811%2814%2915%294%289%295%282%2910%2812%2913%2Fh1H,7.08266496658325,10.2839918136597,-0.191027462482452,0.522028923034668,34.9710578918457,0.211885124444962,0.551434993743896,0.26058042049408,0.363145709037781,2.57203936576843,12.2504997253418,0.0210074614733458,4.3618369102478,0.148788824677467,4.10965633392334,21.0023994445801,11.9985628128052,0.212928161025047,1.33404433727264
InChI%3D1S%2FC14H14OS%2Fc15-16%2811-13-7-3-1-4-8-13%2912-14-9-5-2-6-10-14%2Fh1-10H%2C11-12H2,12.189492225647,10.7335033416748,-0.258403599262238,0.465516448020935,31.9720726013184,0.312826752662659,0.513405621051788,0.336993455886841,0.180530816316605,2.20057892799377,29.6788005828857,0.0690334960818291,9.14742946624756,0.841483235359192,6.70983123779297,58.8070487976074,11.8500003814697,0.0903919264674187,1.31591546535492
InChI%3D1S%2FC8H6Cl2O2%2Fc1-12-8%2811%296-4-5%289%292-3-7%286%2910%2Fh2-4H%2C1H3,8.62964630126953,9.67850971221924,-0.315124362707138,0.390404313802719,34.9701538085938,0.323572367429733,0.579457104206085,0.225163981318474,0.201291725039482,1.73707640171051,13.9061784744263,0.0339451059699059,6.59963512420654,0.292934238910675,4.72344064712524,25.89404296875,11.9985437393188,0.295033276081085,1.19502544403076
InChI%3D1S%2FC14H20ClNO2%2Fc1-4-11-7-6-8-12%285-2%2914%2811%2916%2810-18-3%2913%2817%299-15%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3,10.3751039505005,11.3913192749023,-0.367807745933533,0.483342558145523,34.9693794250488,0.0955580323934555,0.52585756778717,0.296427309513092,0.336807668209076,3.49441456794739,34.0845642089844,0.202448293566704,4.7802677154541,2.10042214393616,4.81318712234497,79.5456161499023,11.9985179901123,0.229815870523453,1.30562746524811
InChI%3D1S%2FC9H14N.CH4O4S%2Fc1-10%282%2C3%299-7-5-4-6-8-9%3B1-5-6%282%2C3%294%2Fh4-8H%2C1-3H3%3B1H3%2C%28H%2C2%2C3%2C4%29%2Fq%2B1%3B%2Fp-1,,9.56670093536377,-0.344288915395737,,31.9720726013184,,,,,,,,,,5.03998279571533,,11.8500003814697,0.483899682760239,
InChI%3D1S%2FC6H3I3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,5.75255680084229,14.5866365432739,-0.357801586389542,0.412105649709702,126.906509399414,0.174362987279892,0.449026972055435,0.438868761062622,0.434182703495026,2.49766063690186,8.12962627410889,1.39499065077153e-10,3.25489616394043,8.02476307626421e-10,7.63337278366089,13.8821830749512,11.9989137649536,0.120170086622238,1.30000138282776
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,2.48569512367249,6.81075191497803,-0.214484810829163,0.80521833896637,34.9701538085938,0.164730563759804,0.514665007591248,0.5,0.287999719381332,0.715879559516907,1.81031179428101,0.159026205539703,1.37452507019043,0.395290672779083,5.09803342819214,4.68497085571289,11.998706817627,0.110870480537415,1.81988334655762
InChI%3D1S%2FC9H10O2%2Fc1-2-11-9-5-3-8%287-10%294-6-9%2Fh3-7H%2C2H2%2C1H3,9.8572416305542,7.83298397064209,-0.346113264560699,0.440896719694138,15.9959192276001,0.375866532325745,0.543915987014771,0.190336331725121,0.150227442383766,1.48082828521729,13.6432933807373,0.0152838379144669,8.22575664520264,0.150656476616859,3.83926558494568,25.33567237854,11.8500003814697,0.149814963340759,1.17514896392822
InChI%3D1S%2FC12H10OS%2Fc13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,10.553484916687,11.3689823150635,-0.248629927635193,0.55658620595932,31.9720726013184,0.278924524784088,0.619511842727661,0.432906955480576,0.209965035319328,2.21586298942566,25.1359081268311,0.0848022475838661,7.44266319274902,0.894959270954132,6.8829493522644,50.4489898681641,11.8500003814697,0.0972956717014313,1.60900497436523
InChI%3D1S%2FC5H12O%2Fc1-2-3-4-5-6%2Fh6H%2C2-5H2%2C1H3,5.9811954498291,6.50213479995728,-0.4217149913311,0.555027842521667,15.9979419708252,0.334321588277817,0.567728579044342,0.466572761535645,0.136229753494263,0.814816832542419,6.56970024108887,0.0846747979521751,4.65992212295532,0.50645649433136,3.86671495437622,14.4739027023315,11.9964008331299,0.0696688741445541,1.5893292427063
InChI%3D1S%2FC6H6FN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,5.08839845657349,7.32200860977173,-0.302468448877335,0.495298057794571,18.9984035491943,0.224183052778244,0.509863317012787,0.274415045976639,0.366054117679596,1.86262917518616,6.03627014160156,0.00170181540306658,3.21710968017578,0.00865951459854841,3.90730977058411,11.1765584945679,11.8500003814697,0.123512879014015,1.279576420784
InChI%3D1S%2FC5H8O3%2Fc1-2-5%287%298-4-3-6%2Fh2%2C6H%2C1%2C3-4H2,5.78322315216064,6.1434588432312,-0.418270826339722,0.470396757125854,15.9987010955811,0.294131457805634,0.540298879146576,0.483920276165009,0.154173746705055,0.891621172428131,7.28097820281982,0.120317652821541,4.19577789306641,0.695823848247528,3.73926019668579,15.667308807373,11.9964008331299,0.285439491271973,1.49461591243744
InChI%3D1S%2FC6H2F5N%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H2,5.52091026306152,7.18550872802734,-0.297527492046356,0.463128685951233,19.0029010772705,0.208908960223198,0.527142524719238,0.220630690455437,0.38692644238472,2.13618612289429,7.25268650054932,0.00119494984392077,3.37812685966492,0.00659721065312624,3.83902478218079,12.8212041854858,11.9975233078003,0.211845606565475,1.21090185642242
InChI%3D1S%2FC12H18N2O3.Na%2Fc1-4-6-8%283%2912%287-5-2%299%2815%2913-11%2817%2914-10%2812%2916%3B%2Fh5%2C8H%2C2%2C4%2C6-7H2%2C1%2C3H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29%3B%2Fq%3B%2B1%2Fp-1,,12.1273164749146,-0.347110509872437,,22.9897708892822,,,,,,,,,,-2.35684433391725e-06,,11.9962186813354,0.372302383184433,
InChI%3D1S%2FC13H10Cl2O2%2Fc14-10-1-3-12%2816%298%286-10%295-9-7-11%2815%292-4-13%289%2917%2Fh1-4%2C6-7%2C16-17H%2C5H2,10.3320064544678,9.98530292510986,-0.386345535516739,0.480106562376022,34.9698524475098,0.241634681820869,0.546374678611755,0.360725581645966,0.256067246198654,2.64568853378296,26.5228900909424,0.0884198322892189,6.77276372909546,0.913554251194,5.46634721755981,53.2245292663574,11.9962062835693,0.102059848606586,1.38720679283142
InChI%3D1S%2FC9H18O%2Fc1-3-5-7-9%2810%298-6-4-2%2Fh3-8H2%2C1-2H3,9.97952365875244,7.4110746383667,-0.299200713634491,0.557022631168365,15.9949169158936,0.305092960596085,0.58309942483902,0.46094810962677,0.188051909208298,1.87666845321655,20.5005016326904,0.0718241408467293,7.38608455657959,0.716770768165588,4.58680629730225,40.4153518676758,11.8900003433228,0.132706537842751,1.60107016563416
InChI%3D1S%2FC7H11ClO4%2Fc1-3-11-6%289%295%288%297%2810%2912-4-2%2Fh5H%2C3-4H2%2C1-2H3,12.1470251083374,8.81862926483154,-0.314936846494675,0.370303779840469,34.9688529968262,0.356647908687592,0.620200097560883,0.394148319959641,0.136541649699211,1.65857481956482,23.91162109375,0.0545944683253765,9.82528972625732,0.663160383701324,4.58389043807983,46.8654937744141,11.8900003433228,0.2968829870224,1.38465225696564
InChI%3D1S%2F2C4H7Cl3O.H2O%2Fc2%2A1-3%282%2C8%294%285%2C6%297%3B%2Fh2%2A8H%2C1-2H3%3B1H2,,11.2336578369141,-0.411101400852203,,34.9739570617676,,,,,,,,,,1.43799734115601,,11.9985437393188,0.322496145963669,
InChI%3D1S%2FC12H8ClNO3%2Fc13-9-5-7-10%288-6-9%2917-12-4-2-1-3-11%2812%2914%2815%2916%2Fh1-8H,11.2430992126465,8.9046106338501,-0.358113497495651,0.32467257976532,34.9688529968262,0.297151237726212,0.556322753429413,0.29310068488121,0.174832537770271,1.96565961837769,27.0553760528564,0.0956324636936188,8.20223426818848,1.07520532608032,3.73596048355103,55.6337966918945,11.9989995956421,0.189235702157021,1.17409598827362
InChI%3D1S%2FC6H12O%2Fc1-3-5-6%287%294-2%2Fh4%2C6-7H%2C2-3%2C5H2%2C1H3,6.59620237350464,7.33813190460205,-0.388447284698486,0.43835711479187,15.9949159622192,0.326328068971634,0.545390069484711,0.387295693159103,0.139488637447357,0.920095324516296,8.30101776123047,0.092073954641819,5.0687689781189,0.607338428497314,4.82330513000488,17.7296962738037,11.789999961853,0.129093766212463,1.37104284763336
InChI%3D1S%2FC5Cl5N%2Fc6-1-2%287%294%289%2911-5%2810%293%281%298,5.22579288482666,11.050009727478,-0.206652164459229,0.521424114704132,34.9729766845703,0.185046628117561,0.505548775196075,0.431958645582199,0.419937819242477,2.19450807571411,6.6521782875061,6.94004465007225e-10,3.03128457069397,3.62672336606806e-09,6.81572484970093,11.8779716491699,11.9985771179199,0.226122334599495,1.45893156528473
InChI%3D1S%2FC12H27N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-13H2%2C1H3,11.574333190918,7.55831909179688,-0.363889992237091,0.469250380992889,14.0091028213501,0.192200839519501,0.467146307229996,0.484032601118088,0.349113315343857,4.04075384140015,35.2820434570312,0.0612855590879917,6.82423973083496,0.709339499473572,4.75708484649658,66.4164657592773,11.99338722229,0.0272369235754013,1.42042934894562
InChI%3D1S%2FC7H6Cl2O2%2Fc1-11-7-3-5%289%294%288%292-6%287%2910%2Fh2-3%2C10H%2C1H3,6.84333801269531,9.51101779937744,-0.382592678070068,0.424940019845963,34.9698524475098,0.232139140367508,0.488314092159271,0.332896023988724,0.328543394804001,2.24833345413208,11.1922550201416,0.0286044143140316,4.39925479888916,0.195749670267105,4.90277481079102,19.971752166748,11.996319770813,0.1291424036026,1.24615013599396
InChI%3D1S%2FC8H14O3%2Fc1-4-10-5-6-11-8%289%297%282%293%2Fh2%2C4-6H2%2C1%2C3H3,13.0413093566895,7.39170742034912,-0.378593266010284,0.492012947797775,15.9969205856323,0.398917824029922,0.585220158100128,0.367898017168045,0.0988496020436287,1.28912830352783,20.4368000030518,0.0359266251325607,11.2836503982544,0.468530267477036,4.37203073501587,40.293384552002,11.8900003433228,0.288397371768951,1.44513118267059
InChI%3D1S%2FC10H15BrO%2Fc1-9%282%296-4-5-10%289%2C3%298%2812%297%286%2911%2Fh6-7H%2C4-5H2%2C1-3H3,5.99289131164551,11.3380279541016,-0.296724885702133,0.467272996902466,78.9185180664062,0.0194813907146454,0.535247445106506,0.457111835479736,0.334207713603973,2.00287055969238,11.9465074539185,0.306483745574951,2.15329694747925,1.83672380447388,5.82449626922607,25.8607769012451,11.9988403320312,0.159320056438446,1.45963227748871
InChI%3D1S%2FC6H11BrO%2Fc7-5-6-3-1-2-4-8-6%2Fh6H%2C1-5H2,5.06625604629517,8.58080196380615,-0.398459821939468,0.481783360242844,78.9183349609375,0.18148335814476,0.511333882808685,0.416677415370941,0.284949570894241,1.44362759590149,7.29318475723267,0.139739289879799,2.91467356681824,0.707955002784729,6.44129037857056,15.3383054733276,11.9968357086182,0.0739574953913689,1.40979468822479
InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3,3.31854820251465,5.86555194854736,-0.370959162712097,0.48125633597374,14.113076210022,0.122763194143772,0.579702079296112,0.330350756645203,0.419718116521835,1.39285480976105,3.13796162605286,0.0832642987370491,1.64937686920166,0.276316583156586,4.58894443511963,7.09130382537842,11.9989995956421,0.0023641767911613,1.39130914211273
InChI%3D1S%2FC10H10O%2Fc1-3-10%282%2C11%299-7-5-4-6-8-9%2Fh1%2C4-8%2C11H%2C2H3,7.61098623275757,9.17902278900146,-0.373218804597855,0.528049409389496,15.9949169158936,0.223322972655296,0.566239833831787,0.298497468233109,0.28877517580986,2.19786381721497,14.8265790939331,0.0801275223493576,4.80327272415161,0.609849452972412,4.98829174041748,28.8757095336914,11.8500003814697,0.148133158683777,1.39278674125671
InChI%3D1S%2FC12H22O4%2Fc1-3-5-9-15-11%2813%297-8-12%2814%2916-10-6-4-2%2Fh3-10H2%2C1-2H3,11.8124723434448,7.23533821105957,-0.316598922014236,0.567596018314362,15.9979267120361,0.170872285962105,0.512084186077118,0.445236802101135,0.353747844696045,4.17863655090332,38.5616416931152,0.0850891247391701,6.62872314453125,1.00511300563812,4.27622842788696,78.2147598266602,11.8900003433228,0.263066321611404,1.52491700649261
InChI%3D1S%2FC13H10O2%2Fc14-10-11-6-8-13%289-7-11%2915-12-4-2-1-3-5-12%2Fh1-10H,12.1610631942749,8.46780109405518,-0.310295164585114,0.417042940855026,15.9959211349487,0.354972124099731,0.570394158363342,0.294213265180588,0.116521418094635,1.41702425479889,24.3921680450439,0.0768490880727768,9.80947208404541,0.934566617012024,3.85910820960999,49.5439491271973,11.8500003814697,0.149841725826263,1.2816504240036
InChI%3D1S%2FC9H18O2%2Fc1-2-3-4-5-6-7-8-9%2810%2911%2Fh2-8H2%2C1H3%2C%28H%2C10%2C11%29,12.5975112915039,7.37721395492554,-0.351374924182892,0.443499118089676,15.9982604980469,0.401649624109268,0.575465738773346,0.40079852938652,0.0843914374709129,1.06312203407288,18.7076187133789,0.0467423982918262,10.9455509185791,0.588837862014771,3.71683216094971,38.1571159362793,11.9962692260742,0.278717786073685,1.41976344585419
InChI%3D1S%2FC5H12N2%2Fc1-5-4-6-2-3-7-5%2Fh5-7H%2C2-4H2%2C1H3,4.74875450134277,7.56000661849976,-0.339821249246597,0.474681168794632,14.0082683563232,0.179056838154793,0.504788458347321,0.40790867805481,0.269885182380676,1.281618475914,6.48235750198364,0.158039018511772,2.7166473865509,0.750488460063934,5.71474409103394,13.8440914154053,11.9945917129517,0.0376436561346054,1.38737833499908
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3,6.90638494491577,7.40144920349121,-0.360495567321777,0.420351535081863,15.9959182739258,0.320133656263351,0.524933755397797,0.117647133767605,0.226152062416077,1.56189322471619,8.84317779541016,0.0136697348207235,5.25008344650269,0.0944084525108337,4.66280746459961,16.5237197875977,11.8500003814697,0.120789863169193,1.06293249130249
InChI%3D1S%2FC13H11NO%2Fc15-11-14%2812-7-3-1-4-8-12%2913-9-5-2-6-10-13%2Fh1-11H,10.3290157318115,9.96988487243652,-0.283865362405777,0.373651683330536,15.9949188232422,0.26469162106514,0.53475546836853,0.470808327198029,0.201280400156975,2.07902836799622,25.3860855102539,0.112464115023613,7.08834362030029,1.16164362430573,4.34008932113647,52.8340873718262,11.8500003814697,0.198354944586754,1.37921547889709
InChI%3D1S%2FC6H13NO2%2Fc8-4-1-7-2-5-9-6-3-7%2Fh8H%2C1-6H2,5.29596185684204,7.99988031387329,-0.394490122795105,0.560921847820282,15.9959182739258,0.1147655621171,0.571543097496033,0.698103070259094,0.303778409957886,1.6087988615036,8.79468059539795,0.209867522120476,2.57571268081665,1.11145043373108,4.0648717880249,18.6962757110596,11.8999996185303,0.142892464995384,1.83056795597076
InChI%3D1S%2FC4H11N%2Fc1-3-5-4-2%2Fh5H%2C3-4H2%2C1-2H3,5.49447298049927,6.02352094650269,-0.31650111079216,0.625819265842438,14.0030755996704,0.343174576759338,0.593479096889496,0.491206049919128,0.134584948420525,0.739473342895508,5.29537773132324,0.0745156034827232,4.3455753326416,0.40942394733429,4.87422800064087,12.1055088043213,11.8900003433228,0.0826112404465675,1.71050441265106
InChI%3D1S%2FC3H7ClO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2H2%2C1H3,3.20973801612854,6.69685029983521,-0.391045540571213,0.353875756263733,34.9693794250488,0.127990707755089,0.51667857170105,0.318640649318695,0.282090812921524,0.905437648296356,3.1971435546875,0.213921576738358,1.61766815185547,0.686632215976715,4.4419960975647,7.41259002685547,11.9986352920532,0.116863012313843,1.18919503688812
InChI%3D1S%2FC11H13NO%2Fc1-12%282%2911-7-5-10%286-8-11%294-3-9-13%2Fh3-9H%2C1-2H3%2Fb4-3-,12.3202323913574,8.94346618652344,-0.298121273517609,0.565862059593201,15.9949178695679,0.372925102710724,0.520944833755493,0.128341361880302,0.158488899469376,1.95262014865875,21.6237621307373,0.0109443170949817,10.2327766418457,0.13483652472496,3.65735983848572,36.638126373291,11.8500003814697,0.142648711800575,1.21514821052551
InChI%3D1S%2FC9H17N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-8H2%2C1H3,12.3781309127808,7.35010242462158,-0.436738669872284,0.721796154975891,14.0499582290649,0.422965317964554,0.525696396827698,0.592576563358307,0.0653326585888863,0.808696210384369,14.4952173233032,0.0373802445828915,11.1067371368408,0.46269753575325,3.7514328956604,31.0292854309082,11.9530162811279,0.289336770772934,1.84006917476654
InChI%3D1S%2FC6H10Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh5-6H%2C1-4H2%2Ft5-%2C6%3F%2Fm1%2Fs1,4.47994947433472,9.49198246002197,-0.20925572514534,0.517050325870514,34.9701538085938,0.0710935220122337,0.465915560722351,0.360904455184937,0.384718328714371,1.7235187292099,6.35889530181885,0.187156975269318,1.91797709465027,0.838453829288483,6.44317722320557,13.6104965209961,11.9985628128052,0.123499035835266,1.34387040138245
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,9.14073753356934,8.32169437408447,-0.360501110553741,0.364618718624115,15.9959192276001,0.350790530443192,0.563357353210449,0.22184357047081,0.145133391022682,1.32662618160248,13.9681072235107,0.0538125596940517,7.32222461700439,0.491886466741562,4.69335746765137,27.8869590759277,11.8500003814697,0.137440055608749,1.14981961250305
InChI%3D1S%2FC5H10Cl2%2Fc6-4-2-1-3-5-7%2Fh1-5H2,5.78361654281616,7.3625373840332,-0.218649610877037,0.616998732089996,34.9701538085938,0.325450539588928,0.521046459674835,0.499904245138168,0.139986217021942,0.809626579284668,6.40743446350098,0.092746376991272,4.43758010864258,0.536409497261047,5.22077751159668,14.1182537078857,11.9985771179199,0.094338059425354,1.63794946670532
InChI%3D1S%2FC4H6Cl2%2Fc1-2-4%286%293-5%2Fh2%2C4H%2C1%2C3H2,4.22995662689209,8.85850238800049,-0.213093981146812,0.444264113903046,34.9701538085938,0.245662748813629,0.541321635246277,0.200101464986801,0.193593382835388,0.818891644477844,4.51408433914185,0.145522952079773,2.79550909996033,0.615555763244629,5.57759666442871,10.1531829833984,11.9985990524292,0.116578437387943,1.1856871843338
InChI%3D1S%2FC5H4ClNO%2Fc6-4-1-2-5%288%297-3-4%2Fh1-3H%2C%28H%2C7%2C8%29,4.69276714324951,8.09144306182861,-0.344721555709839,0.479098081588745,34.9688529968262,0.222827583551407,0.450462520122528,0.469555050134659,0.369563221931458,1.73427402973175,5.13083744049072,6.07889627524116e-10,2.95849275588989,2.85268431099439e-09,4.54968404769897,9.82360458374023,11.9885931015015,0.164587453007698,1.39911568164825
InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh1%2C5H%2C3-4H2,4.25936079025269,5.73300457000732,-0.420240730047226,0.501664459705353,15.9979419708252,0.329706817865372,0.408045411109924,0.36362025141716,0.159521877765656,0.679461181163788,3.37944507598877,0.0675356984138489,3.29224038124084,0.287658900022507,3.72285532951355,8.28228378295898,11.9964618682861,0.0800184085965157,1.27333009243011
InChI%3D1S%2FC6H6ClN%2Fc1-5-3-2-4-6%287%298-5%2Fh2-4H%2C1H3,5.50563192367554,8.18549728393555,-0.233947038650513,0.411660045385361,34.9693794250488,0.255695998668671,0.605594277381897,0.142855808138847,0.305406183004379,1.68145406246185,6.84573888778687,0.0203324854373932,3.71223473548889,0.111943185329437,5.84589815139771,13.0501146316528,11.9985628128052,0.200466632843018,1.16011011600494
InChI%3D1S%2FC9H7N%2Fc1-2-6-9-8%284-1%295-3-7-10-9%2Fh1-7H,6.70153999328613,8.71707153320312,-0.255668431520462,0.538701474666595,14.0030784606934,0.266645133495331,0.557605266571045,0.293991476297379,0.311139792203903,2.08511567115784,9.62577819824219,9.79442638104899e-10,4.61642408370972,6.56377352470372e-09,6.56544923782349,16.3273181915283,11.8500003814697,0.126229405403137,1.39029824733734
InChI%3D1S%2FC10H14O%2Fc1-10%282%2C3%298-4-6-9%2811%297-5-8%2Fh4-7%2C11H%2C1-3H3,7.83684492111206,9.57010555267334,-0.360427260398865,0.524909019470215,15.9949169158936,0.247273206710815,0.481279134750366,0.272414773702621,0.231803759932518,1.81661021709442,15.2188348770142,0.105165280401707,5.19607067108154,0.824164032936096,4.79066801071167,30.8351573944092,11.8500003814697,0.106894448399544,1.27860295772552
InChI%3D1S%2FC6H12O3%2Fc1-3-8-4-5-9-6%282%297%2Fh3-5H2%2C1-2H3,6.98710346221924,6.07047367095947,-0.378591358661652,0.562513291835785,16.0061416625977,0.216639623045921,0.626977562904358,0.372951656579971,0.287765204906464,2.01064538955688,12.7411098480225,0.0900486335158348,4.34727907180786,0.629179179668427,3.62887740135193,25.2277660369873,11.9886980056763,0.33214259147644,1.56244254112244
InChI%3D1S%2FC7H8N2O%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H2%2C9%2C10%29,6.24527072906494,8.85388088226318,-0.344705373048782,0.470520585775375,15.9949178695679,0.167629837989807,0.549903631210327,0.188644975423813,0.362277567386627,2.26252150535583,10.7677183151245,0.080882653594017,3.47761535644531,0.505134105682373,4.98258543014526,20.9874744415283,11.9935121536255,0.166067123413086,1.20906925201416
InChI%3D1S%2FC11H17O3P%2Fc1-3-13-15%2812%2C14-4-2%2910-11-8-6-5-7-9-11%2Fh5-9H%2C3-4%2C10H2%2C1-2H3,12.8330984115601,8.3226957321167,-0.30662602186203,0.435106009244919,30.973762512207,0.277764409780502,0.488266855478287,0.309471517801285,0.253191918134689,3.24923706054688,36.1376266479492,0.0431222170591354,9.03046989440918,0.553391635417938,3.87191486358643,65.2084197998047,11.8900003433228,0.320918828248978,1.23284435272217
InChI%3D1S%2FC6H14O%2Fc1-5%282%297-6%283%294%2Fh5-6H%2C1-4H3,5.71775388717651,6.86320829391479,-0.37531965970993,0.575904011726379,15.9949159622192,0.190919548273087,0.644097328186035,0.424629718065262,0.311990976333618,1.78388774394989,8.94179153442383,0.100116282701492,3.36142611503601,0.572440326213837,5.35393857955933,18.0921306610107,11.8900003433228,0.12616890668869,1.64463102817535
InChI%3D1S%2FC7H7NO2.ClH%2Fc9-7%2810%296-8-4-2-1-3-5-8%3B%2Fh1-5H%2C6H2%3B1H,,8.00517654418945,-0.393361181020737,,34.9688529968262,,,,,,,,,,2.72999596595764,,11.9885187149048,0.368083477020264,
InChI%3D1S%2FC3H6Cl2%2Fc4-2-1-3-5%2Fh1-3H2,3.29746031761169,7.08301687240601,-0.218368798494339,0.511836767196655,34.9701538085938,0.20482811331749,0.475448071956635,0.433055579662323,0.233025699853897,0.768393039703369,3.00188851356506,0.16053681075573,1.99970364570618,0.529363811016083,5.1681809425354,7.11274719238281,11.9986352920532,0.0956682488322258,1.42034041881561
InChI%3D1S%2FC6H5NO3%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4%2C8H,5.53386926651001,7.58163452148438,-0.40559595823288,0.55542927980423,15.9987030029297,0.207659170031548,0.555747509002686,0.192339077591896,0.389787763357162,2.15703463554382,7.28394937515259,1.15136238321156e-08,3.37683486938477,6.37148929172326e-08,3.54940629005432,12.8178195953369,11.9963550567627,0.188699692487717,1.30351579189301
InChI%3D1S%2FC7H14O%2Fc1-3-4-5-6-7%282%298%2Fh3-6H2%2C1-2H3,8.3189058303833,7.09377241134644,-0.38516029715538,0.417969077825546,16.0059242248535,0.368360608816147,0.559993505477905,0.358835250139236,0.0997271612286568,0.829620838165283,10.5377721786499,0.075792022049427,6.85877799987793,0.630506694316864,4.05638122558594,22.4443778991699,11.9886627197266,0.215291455388069,1.33679783344269
InChI%3D1S%2FC6H4Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H,4.59807682037354,9.18192768096924,-0.17264024913311,0.5574010014534,34.9701538085938,0.145523443818092,0.481748253107071,0.309560060501099,0.472635418176651,2.17321395874023,5.26974582672119,2.38675329500282e-10,2.4248628616333,1.09744746623619e-09,6.3706693649292,9.86782264709473,11.9985628128052,0.14216260612011,1.3487092256546
InChI%3D1S%2FC4H10O%2Fc1-2-3-4-5%2Fh5H%2C2-4H2%2C1H3,4.71369218826294,5.99101161956787,-0.421714127063751,0.643157005310059,15.9979419708252,0.32867419719696,0.513720691204071,0.533290147781372,0.139788955450058,0.658922135829926,4.19145631790161,0.0886454507708549,3.63692283630371,0.417847365140915,3.78771948814392,9.90649890899658,11.9964618682861,0.0696477368474007,1.69016790390015
InChI%3D1S%2FC7H6O3%2Fc8-4-5-1-2-6%289%293-7%285%2910%2Fh1-4%2C9-10H,6.08017206192017,7.94394588470459,-0.38562023639679,0.526911616325378,15.9987030029297,0.245516687631607,0.519461929798126,0.281272888183594,0.339311063289642,2.06306958198547,8.28756141662598,3.45503359255872e-09,4.01710224151611,2.10071977591042e-08,3.86860513687134,14.3677339553833,11.996319770813,0.152376666665077,1.32764637470245
InChI%3D1S%2FC5H10O%2Fc1-3-5%286%294-2%2Fh3-4H2%2C1-2H3,4.87787246704102,6.38851642608643,-0.299207359552383,0.502606809139252,15.9949159622192,0.26916241645813,0.57563191652298,0.337523192167282,0.155696868896484,0.759469449520111,5.63272094726562,0.152086600661278,3.37654399871826,0.741859018802643,4.11524677276611,12.4130029678345,11.8900003433228,0.132157161831856,1.41576194763184
InChI%3D1S%2FC9H16ClNO2%2Fc10-6-7-13-9%2812%2911-8-4-2-1-3-5-8%2Fh8H%2C1-7H2%2C%28H%2C11%2C12%29,11.1783494949341,8.67341327667236,-0.325788140296936,0.447505354881287,34.9693794250488,0.325973212718964,0.546384572982788,0.410553574562073,0.165105015039444,1.84560167789459,23.6472988128662,0.0669307112693787,8.58457374572754,0.748174905776978,4.90439653396606,46.6795082092285,11.9985370635986,0.278651922941208,1.40444350242615
InChI%3D1S%2FC7H5FO%2Fc8-7-4-2-1-3-6%287%295-9%2Fh1-5H,5.32747364044189,7.6043815612793,-0.297297269105911,0.500698029994965,19.0001335144043,0.224584177136421,0.519830763339996,0.165129348635674,0.367219775915146,1.95635366439819,6.59512710571289,1.33559183268517e-06,3.37111282348633,7.11533084540861e-06,3.78371405601501,11.9226474761963,11.9974966049194,0.166008695960045,1.18565821647644
InChI%3D1S%2FC16H27N%2Fc1-2-3-4-5-6-7-8-9-10-15-11-13-16%2817%2914-12-15%2Fh11-14H%2C2-10%2C17H2%2C1H3,28.945348739624,8.89218139648438,-0.302499800920486,0.483367413282394,14.0030822753906,0.449303209781647,0.558021783828735,0.378748834133148,0.0356163829565048,1.03092861175537,53.7600135803223,0.0319793373346329,26.9887676239014,0.925653100013733,5.12837696075439,108.460266113281,11.8500003814697,0.0997109711170197,1.42013800144196
InChI%3D1S%2FC7H12O2%2Fc1-5%282%297%288%299-6%283%294%2Fh6H%2C1H2%2C2-4H3,7.92715406417847,7.46038627624512,-0.309329837560654,0.591811776161194,15.9959182739258,0.287993282079697,0.627710103988647,0.403480261564255,0.197438552975655,1.56512582302094,13.7995634078979,0.0852370634675026,5.68634080886841,0.675687313079834,4.44086980819702,27.7402267456055,11.8900003433228,0.288558930158615,1.62300217151642
InChI%3D1S%2FC8H10%2Fc1-7-5-3-4-6-8%287%292%2Fh3-6H%2C1-2H3,5.93530750274658,8.13570690155029,-0.153572678565979,0.573190271854401,12.1101140975952,0.16524975001812,0.573841452598572,0.222221374511719,0.416945338249207,2.47469878196716,9.13716793060303,0.0293883234262466,3.28618001937866,0.174428731203079,6.0765175819397,16.4909839630127,11.8900003433228,0.0666793137788773,1.36925315856934
InChI%3D1S%2FC9H11N%2Fc1-2-8-10-9-6-4-3-5-7-9%2Fh2-7%2C10H%2C1%2C8H2,8.10228538513184,8.47588157653809,-0.284654825925827,0.49192401766777,14.0030784606934,0.276369631290436,0.606971204280853,0.384952396154404,0.207537084817886,1.68152463436127,14.9725551605225,0.0906367301940918,5.68639612197876,0.734364628791809,5.19676876068115,30.0966987609863,11.8500003814697,0.0980693697929382,1.48384761810303
InChI%3D1S%2FC11H15NO3%2Fc1-8%282%2914-9-6-4-5-7-10%289%2915-11%2813%2912-3%2Fh4-8H%2C1-3H3%2C%28H%2C12%2C13%29,11.4183282852173,8.80163097381592,-0.340509951114655,0.427171587944031,15.9969244003296,0.164351359009743,0.498512089252472,0.492841571569443,0.377121239900589,4.3060941696167,35.6975898742676,0.0704102888703346,6.30826616287231,0.803967773914337,4.71490955352783,68.9548873901367,11.8900003433228,0.283412516117096,1.41852521896362
InChI%3D1S%2FC9H18O%2Fc1-3-4-5-6-7-8-9%282%2910%2Fh3-8H2%2C1-2H3,11.1331796646118,7.36792278289795,-0.385162055492401,0.481119245290756,16.0059261322021,0.359751224517822,0.589769601821899,0.387688934803009,0.132302463054657,1.4729471206665,19.7407035827637,0.0546959191560745,9.05129337310791,0.608939528465271,4.08610391616821,38.9923133850098,11.9886016845703,0.215304791927338,1.45857775211334
InChI%3D1S%2FC7H8FN%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C9H%2C1H3,6.4235200881958,7.95075607299805,-0.291520714759827,0.470286309719086,18.9984035491943,0.286145031452179,0.54653412103653,0.103044092655182,0.267460703849792,1.71803915500641,8.60567283630371,0.0176792647689581,4.59191751480103,0.113563112914562,3.94660615921021,15.925103187561,11.8500003814697,0.123531676828861,1.11986458301544
InChI%3D1S%2FC8H18O%2Fc1-2-3-4-5-6-7-8-9%2Fh9H%2C2-8H2%2C1H3,12.1876277923584,7.22929811477661,-0.421719342470169,0.679205477237701,15.9979429244995,0.424685388803482,0.535841822624207,0.592561662197113,0.0624313876032829,0.760890483856201,13.7705459594727,0.0379880927503109,10.9637517929077,0.4629847407341,3.93580436706543,29.8204917907715,11.9962921142578,0.0697074830532074,1.80760896205902
InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-4-2-1-3-6%287%295-12%2Fh1-4H,6.16709041595459,8.24088668823242,-0.256286203861237,0.471220850944519,19.0012531280518,0.187707841396332,0.580742299556732,0.125000029802322,0.393085211515427,2.42419195175171,9.59077835083008,0.0233043320477009,3.59917831420898,0.143719911575317,3.6015739440918,17.0118389129639,11.9974756240845,0.437967896461487,1.1769632101059
InChI%3D1S%2FC10H14%2Fc1-3-9-6-5-7-10%284-2%298-9%2Fh5-8H%2C3-4H2%2C1-2H3,8.55985832214355,8.60220146179199,-0.156960904598236,0.42465204000473,12.1101551055908,0.250660091638565,0.618212580680847,0.461626708507538,0.254090785980225,2.17498111724854,17.7198448181152,0.0783624351024628,5.7141056060791,0.670771300792694,5.55825710296631,34.616096496582,11.8900003433228,0.0653229877352715,1.50449132919312
InChI%3D1S%2FC6H3Cl3%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H,4.87676906585693,9.66638374328613,-0.178206905722618,0.541819930076599,34.9710578918457,0.159795999526978,0.438504099845886,0.289224833250046,0.453605353832245,2.21212863922119,5.89452791213989,7.60535079358249e-10,2.66464066505432,3.70895403278837e-09,6.24842214584351,10.771297454834,11.9985628128052,0.122722916305065,1.26954889297485
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InChI%3D1S%2FC7H9N%2Fc1-8-7-5-3-2-4-6-7%2Fh2-6%2C8H%2C1H3,6.31055974960327,7.96213102340698,-0.29151451587677,0.467168152332306,14.003077507019,0.284308105707169,0.561533153057098,0.103639535605907,0.269591897726059,1.7012757062912,8.35225486755371,0.0179973058402538,4.49571084976196,0.11357307434082,5.28008937835693,15.5314722061157,11.8500003814697,0.0980281308293343,1.13234078884125
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InChI%3D1S%2FC5H8O%2Fc1-3-4-5%282%296%2Fh1%2C5-6H%2C4H2%2C2H3,4.30266714096069,6.41752862930298,-0.417025774717331,0.505820274353027,15.9979419708252,0.171723172068596,0.382260859012604,0.301511943340302,0.256118595600128,1.10199296474457,5.41736888885498,0.181583851575851,2.41937899589539,0.781294822692871,4.29760646820068,11.8030757904053,11.9964008331299,0.0879018306732178,1.18959307670593
InChI%3D1S%2FC5H10O%2Fc1-3-5%282%294-6%2Fh4-5H%2C3H2%2C1-2H3,4.10312032699585,7.16225337982178,-0.388802200555801,0.414651036262512,16.0059242248535,0.115374282002449,0.533678114414215,0.504308342933655,0.308447003364563,1.26559507846832,5.26748609542847,0.204387307167053,1.99889945983887,0.83862566947937,3.60753273963928,11.4921588897705,11.9887399673462,0.208758264780045,1.45263755321503
InChI%3D1S%2FC7H6N2O3%2Fc8-7%2810%295-1-3-6%284-2-5%299%2811%2912%2Fh1-4H%2C%28H2%2C8%2C10%29,7.74414730072021,8.34475803375244,-0.28025895357132,0.509569585323334,16.0169315338135,0.323782712221146,0.514879524707794,0.246085867285728,0.230243295431137,1.78303802013397,10.8451261520386,0.00471309572458267,5.92461013793945,0.0364989042282104,3.53175282478333,18.9748401641846,11.9989995956421,0.205294340848923,1.27053487300873
InChI%3D1S%2FC8H11N%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6H%2C2%2C9H2%2C1H3,7.57430982589722,8.26588344573975,-0.302470207214355,0.42398077249527,14.0030784606934,0.312818497419357,0.55238950252533,0.34594663977623,0.191585898399353,1.45113098621368,11.3820943832397,0.0579894222319126,5.68394899368286,0.439229846000671,5.48162984848022,22.5792407989502,11.8500003814697,0.099585048854351,1.32231688499451
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3%2B,6.74337387084961,6.84802627563477,-0.421240419149399,0.517754793167114,15.9979429244995,0.316968739032745,0.630474328994751,0.456390798091888,0.14440655708313,0.973787426948547,9.04338264465332,0.0996351018548012,5.09770965576172,0.671876728534698,3.94857621192932,19.1220092773438,11.9963550567627,0.0729465186595917,1.6046199798584
InChI%3D1S%2FC11H16ClO2PS3%2Fc1-3-13-15%2816%2C14-4-2%2918-9-17-11-7-5-10%2812%296-8-11%2Fh5-8H%2C3-4%2C9H2%2C1-2H3,19.3941822052002,12.2949371337891,-0.322603493928909,0.521405160427094,34.9688529968262,0.338708877563477,0.584188163280487,0.227138102054596,0.164408013224602,3.18855905532837,66.6257934570312,0.0506468154489994,15.2233695983887,0.982253611087799,5.31878805160522,133.699172973633,11.8500003814697,0.219341933727264,1.33273148536682
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InChI%3D1S%2FC14H23NO4%2Fc1-16-7-5-6-15-10-11-8-12%2817-2%2914%2819-4%2913%289-11%2918-3%2Fh8-9%2C15H%2C5-7%2C10H2%2C1-4H3,20.8321361541748,9.31742668151855,-0.383938848972321,0.32160422205925,15.9992923736572,0.327348321676254,0.524614810943604,0.405370086431503,0.183659732341766,3.82602429389954,80.614501953125,0.0465425327420235,16.0365314483643,0.969580352306366,4.34490728378296,160.936370849609,11.9961957931519,0.135624453425407,1.25158905982971
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InChI%3D1S%2FC9H13N%2Fc1-3-10-9-6-4-5-8%282%297-9%2Fh4-7%2C10H%2C3H2%2C1-2H3,8.45515060424805,8.59088325500488,-0.288695514202118,0.453710973262787,14.0030784606934,0.252916663885117,0.624632358551025,0.405632793903351,0.26910862326622,2.27535367012024,16.9535865783691,0.0603358447551727,5.66964769363403,0.510148644447327,5.24283885955811,31.9898853302002,11.8500003814697,0.104963958263397,1.48397612571716
InChI%3D1S%2FC14H26O4%2Fc1-3-17-13%2815%2911-9-7-5-6-8-10-12-14%2816%2918-4-2%2Fh3-12H2%2C1-2H3,11.9696254730225,7.57010507583618,-0.31689265370369,0.538850843906403,15.9979286193848,0.078420102596283,0.536921441555023,0.444920510053635,0.414562851190567,4.96216201782227,44.0287399291992,0.147543668746948,5.24142074584961,1.76604247093201,4.19155120849609,101.930969238281,11.8900003433228,0.262561798095703,1.52069282531738
InChI%3D1S%2FC3H2N2%2Fc4-2-1-3-5%2Fh1H2,2.68169260025024,5.48600435256958,-0.432044297456741,0.676596462726593,14.0499820709229,0.236985296010971,0.446107923984528,0.28571429848671,0.26543790102005,0.711822807788849,1.80026745796204,0.0852483808994293,1.74125981330872,0.228609949350357,3.47409510612488,4.76531457901001,11.9530916213989,0.301898568868637,1.40841865539551
InChI%3D1S%2FC10H14O%2Fc11-10-8-2-6-1-7%284-8%295-9%2810%293-6%2Fh6-9H%2C1-5H2,5.27166414260864,8.95203304290771,-0.298583328723907,0.495336592197418,15.9949169158936,0.0107143670320511,0.525804936885834,0.373441427946091,0.334464699029922,1.76318550109863,9.25732421875,0.31791615486145,1.83253133296967,1.67594707012177,4.95555973052979,19.944128036499,11.8999996185303,0.138891011476517,1.39458298683167
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-2-1-3-6%284-5%298%289%2910%2Fh1-4H,5.52674674987793,8.47513198852539,-0.275389701128006,0.49959123134613,34.9688529968262,0.218366324901581,0.520704686641693,0.167884305119514,0.375511467456818,2.07535672187805,7.1628680229187,1.16273895400809e-07,3.45138931274414,6.42616384993744e-07,3.59323811531067,12.6896190643311,11.9989995956421,0.17543651163578,1.18818020820618
InChI%3D1S%2FC6H5ClN2O2%2Fc7-5-3-4%289%2810%2911%291-2-6%285%298%2Fh1-3H%2C8H2,6.57537698745728,9.02013206481934,-0.321188002824783,0.462305933237076,34.9688529968262,0.279701441526413,0.515938401222229,0.230084508657455,0.292821317911148,1.92541062831879,8.98088645935059,0.000910101400222629,4.64398241043091,0.00598426023498178,3.64690613746643,15.6097717285156,11.8500003814697,0.258154273033142,1.20832884311676
InChI%3D1S%2FC2H5NO%2Fc1-2-3-4%2Fh2%2C4H%2C1H3,3.53597283363342,4.92025518417358,-0.332933604717255,0.30572897195816,16.0009708404541,0.3549964427948,0.552603721618652,0.222222208976746,0.143983229994774,0.509120762348175,2.03881525993347,0.0493548400700092,2.85233473777771,0.174517378211021,3.32190942764282,5.82821941375732,11.9989995956421,0.0287830177694559,1.0805549621582
InChI%3D1S%2FC7H5ClO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H,5.83336544036865,8.60982227325439,-0.385816127061844,0.52240252494812,34.9688529968262,0.172451049089432,0.517956018447876,0.154726535081863,0.436731696128845,2.54761552810669,8.3708324432373,2.44106900026964e-07,3.28574848175049,1.42396481805918e-06,3.9761528968811,14.2042093276978,11.996319770813,0.15244223177433,1.19508504867554
InChI%3D1S%2FC10H23N%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh2-11H2%2C1H3,18.3437690734863,7.47441339492798,-0.363887339830399,0.701489686965942,14.0091018676758,0.448068857192993,0.548393368721008,0.595378518104553,0.0435822531580925,0.799462795257568,22.0623645782471,0.0256592724472284,17.0736179351807,0.47068777680397,4.75523328781128,46.8308906555176,11.9934272766113,0.0271870028227568,1.8452615737915
InChI%3D1S%2FC8H14O%2Fc1-3-5-6-7-8%289%294-2%2Fh2%2C8-9H%2C3%2C5-7H2%2C1H3,8.56173038482666,7.27672100067139,-0.406575083732605,0.333678841590881,15.9949169158936,0.329579412937164,0.565066635608673,0.344465553760529,0.142108157277107,1.21669173240662,13.758376121521,0.0851192995905876,6.61627006530762,0.728768467903137,4.42643976211548,28.1866626739502,11.6899995803833,0.214925944805145,1.24321103096008
InChI%3D1S%2FC13H29N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14%2Fh2-14H2%2C1H3,27.7113380432129,7.58093690872192,-0.363891303539276,0.59362119436264,14.0091028213501,0.461080521345139,0.565427482128143,0.497915387153625,0.032037578523159,0.88780415058136,38.269905090332,0.0198550708591938,26.273323059082,0.550210535526276,4.75739336013794,78.8152160644531,11.9933710098267,0.0272629335522652,1.65696406364441
InChI%3D1S%2FC12H9NO3%2Fc14-13%2815%2910-6-8-12%289-7-10%2916-11-4-2-1-3-5-11%2Fh1-9H,12.1831712722778,8.42987060546875,-0.360675722360611,0.367316752672195,15.9969253540039,0.353619277477264,0.566928863525391,0.251774698495865,0.11452067643404,1.39522504806519,24.6864948272705,0.080653615295887,9.80532932281494,0.98261684179306,3.55461239814758,50.3124961853027,11.8500003814697,0.212389141321182,1.1860203742981
InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3,5.09033346176147,7.85450315475464,-0.405012279748917,0.457475513219833,15.9949159622192,0.194914981722832,0.357739746570587,0.30588686466217,0.264169961214066,1.34471333026886,7.22887563705444,0.142610043287277,3.01968765258789,0.725932717323303,4.61046981811523,15.266942024231,11.6899995803833,0.216669589281082,1.12110209465027
InChI%3D1S%2FC4H11N%2Fc1-2-3-4-5%2Fh2-5H2%2C1H3,4.57967853546143,6.30075788497925,-0.363880038261414,0.451459139585495,14.0090980529785,0.273135483264923,0.590743899345398,0.337887972593307,0.174411028623581,0.798746466636658,4.8936505317688,0.128075003623962,3.1943895816803,0.586542308330536,4.59952354431152,10.9698963165283,11.9936571121216,0.0270443968474865,1.38009107112885
InChI%3D1S%2FC6H4Br2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H,4.74266910552979,10.9170436859131,-0.152127146720886,0.53986006975174,78.91943359375,0.162968263030052,0.458304345607758,0.318302422761917,0.449375659227371,2.13124012947083,5.56558227539062,1.1316132475514e-09,2.61142897605896,5.36686695085109e-09,7.40974998474121,10.3082513809204,11.9988508224487,0.126745820045471,1.31646680831909
InChI%3D1S%2FCHI3%2Fc2-1%283%294%2Fh1H,2.41743540763855,18.8230228424072,-0.112350940704346,0.399994879961014,126.906509399414,0.0198349375277758,0.400027066469193,0.457309484481812,0.359754979610443,0.869684457778931,1.93574726581573,0.280465096235275,0.869744718074799,0.678006231784821,12.8349380493164,4.86602878570557,11.9998950958252,0.166204184293747,1.25733149051666
InChI%3D1S%2FC2H3Cl2NO%2Fc3-1%284%292%285%296%2Fh1H%2C%28H2%2C5%2C6%29,3.46872210502625,8.594162940979,-0.345596790313721,0.648585319519043,34.9701538085938,0.215036153793335,0.726726531982422,0.222222238779068,0.249927058815956,0.86692750453949,3.22560930252075,0.13002473115921,2.15077495574951,0.451019674539566,4.87499284744263,7.53528738021851,11.998706817627,0.253015965223312,1.59753406047821
InChI%3D1S%2FC6H13NO%2Fc1-5-3-7-4-6%282%298-5%2Fh5-7H%2C3-4H2%2C1-2H3,5.12260627746582,7.26980113983154,-0.393833637237549,0.47104287147522,15.9974184036255,0.135567858815193,0.506744980812073,0.499173909425735,0.339689552783966,1.74009585380554,7.85844373703003,0.146219983696938,2.63348317146301,0.7490274310112,5.56118726730347,16.4134788513184,11.9968357086182,0.0898892357945442,1.47696173191071
InChI%3D1S%2FC8H19N%2Fc1-7%282%2C3%296-8%284%2C5%299%2Fh6%2C9H2%2C1-5H3,6.55675840377808,9.1720142364502,-0.358125895261765,0.592216610908508,14.0091009140015,0.182686522603035,0.577027201652527,0.494114696979523,0.21919621527195,1.43721663951874,12.4147748947144,0.203888431191444,3.78269457817078,1.33684718608856,6.17645645141602,26.239372253418,11.9934787750244,0.0436648949980736,1.6633585691452
InChI%3D1S%2FC8H8O3%2Fc1-11-8-4-6%285-9%292-3-7%288%2910%2Fh2-5%2C10H%2C1H3,7.55730628967285,7.98352813720703,-0.382980108261108,0.444579213857651,15.9987030029297,0.183726444840431,0.521124601364136,0.105262592434883,0.41050973534584,3.10234785079956,14.1903648376465,0.0111883394420147,4.3704047203064,0.0845537111163139,3.87849545478821,22.8940944671631,11.9962921142578,0.149932414293289,1.07096636295319
InChI%3D1S%2FC8H8ClNO%2Fc1-6-7%289%293-2-4-8%286%2910-5-11%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%29,7.75237989425659,9.32845783233643,-0.374627113342285,0.48193433880806,34.9688529968262,0.211627468466759,0.420956522226334,0.279105126857758,0.361254721879959,2.8005838394165,14.7276725769043,0.0232419706881046,4.77161550521851,0.180180594325066,4.17734622955322,24.8878612518311,11.9962921142578,0.150641441345215,1.18199598789215
InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3,7.49358177185059,8.47796726226807,-0.201537132263184,0.515869796276093,12.1500968933105,0.245478689670563,0.56749951839447,0.285712242126465,0.309406191110611,2.31856060028076,13.1098718643188,0.0299555603414774,4.9505467414856,0.22447444498539,6.00395488739014,23.1800022125244,11.8500003814697,0.0986799597740173,1.36908149719238
InChI%3D1S%2FC7H12O2%2Fc1-4-7%288%299-5-6%282%293%2Fh4%2C6H%2C1%2C5H2%2C2-3H3,9.048828125,7.23842620849609,-0.312032699584961,0.469707667827606,15.9959182739258,0.35843300819397,0.508168399333954,0.37943434715271,0.131523743271828,1.19013571739197,13.1546039581299,0.0572322569787502,7.34080743789673,0.517884850502014,4.12049531936646,26.7279624938965,11.8900003433228,0.285376250743866,1.35731041431427
InChI%3D1S%2FC8H16O2%2Fc1-3-4-5-6-7-10-8%282%299%2Fh3-7H2%2C1-2H3,13.1674776077271,7.07242822647095,-0.339882403612137,0.627825498580933,16.0060253143311,0.425997287034988,0.540181219577789,0.53840833902359,0.0666347518563271,0.877411603927612,15.7897920608521,0.0320355407893658,11.8682384490967,0.421827256679535,3.6886293888092,33.3498954772949,11.9886302947998,0.332077264785767,1.70641505718231
InChI%3D1S%2FC6H4N2O4%2Fc9-7%2810%295-1-2-6%284-3-5%298%2811%2912%2Fh1-4H,6.67088174819946,7.48527383804321,-0.275414317846298,0.520190298557281,16.0169982910156,0.294777512550354,0.497751444578171,0.148022904992104,0.273628681898117,1.82534456253052,8.84481811523438,1.31214585508133e-06,4.8455286026001,8.75316982273944e-06,3.50452566146851,15.5157766342163,11.9989995956421,0.17549929022789,1.16596460342407
InChI%3D1S%2FC3H6Br2%2Fc4-2-1-3-5%2Fh1-3H2,3.50309109687805,8.39598751068115,-0.195917189121246,0.785354018211365,78.91943359375,0.234969347715378,0.454940766096115,0.545347273349762,0.229846268892288,0.805172383785248,3.15250396728516,0.123527929186821,2.2651891708374,0.432729572057724,6.47030687332153,7.44483661651611,11.9988794326782,0.0864428654313087,1.78564202785492
InChI%3D1S%2FC7H7NO%2Fc1-6%289%297-2-4-8-5-3-7%2Fh2-5H%2C1H3,6.03066730499268,8.20725536346436,-0.294051349163055,0.466873675584793,15.9949169158936,0.259998023509979,0.576485693454742,0.145694270730019,0.291267782449722,1.75653898715973,8.2183084487915,0.0287348572164774,4.10083770751953,0.173290371894836,4.41499614715576,15.4972352981567,11.8500003814697,0.159854248166084,1.18905365467072
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,3.14102029800415,5.96626329421997,-0.376168370246887,0.738164603710175,15.9974174499512,0.142797142267227,0.588107526302338,0.363595128059387,0.384768813848495,1.20856666564941,2.80829906463623,0.0915016606450081,1.64504504203796,0.28740856051445,5.1578631401062,6.52072954177856,11.9969358444214,0.0796170309185982,1.6898672580719
InChI%3D1S%2FC16H22O4%2Fc1-3-5-11-19-15%2817%2913-7-9-14%2810-8-13%2916%2818%2920-12-6-4-2%2Fh7-10H%2C3-6%2C11-12H2%2C1-2H3,22.625072479248,8.76800155639648,-0.312787026166916,0.489045470952988,15.9979305267334,0.345406621694565,0.63345730304718,0.453707963228226,0.15110582113266,3.41878032684326,88.0205993652344,0.0550186969339848,17.9614906311035,1.24480211734772,4.70089673995972,187.08447265625,11.8900003433228,0.294326543807983,1.57621073722839
InChI%3D1S%2FC9H7NO2%2Fc1-12-9%2811%298-4-2-7%286-10%293-5-8%2Fh2-5H%2C1H3,9.5388069152832,8.39113426208496,-0.315185248851776,0.445955038070679,15.9959201812744,0.367903739213943,0.513985812664032,0.105273574590683,0.167271137237549,1.59556698799133,13.3379354476929,0.00885720457881689,7.85875272750854,0.0844871699810028,4.20208692550659,23.9361400604248,11.8500003814697,0.29299122095108,1.06521439552307
InChI%3D1S%2FC9H15NO6%2Fc1-4-14-7%2811%2910%288%2812%2915-5-2%299%2813%2916-6-3%2Fh4-6H2%2C1-3H3,10.9532270431519,8.62694358825684,-0.303302735090256,0.342650234699249,15.9999313354492,0.212714731693268,0.444554656744003,0.376631647348404,0.287749588489532,3.15178680419922,31.6421852111816,0.0952974185347557,6.75762605667114,1.04381430149078,4.54246854782104,64.8271942138672,11.8900003433228,0.359514653682709,1.1638365983963
InChI%3D1S%2FC7H5F4N%2Fc8-4-1-2-6%2812%295%283-4%297%289%2C10%2911%2Fh1-3H%2C12H2,6.14724206924438,7.88686323165894,-0.302008122205734,0.54515278339386,19.0020351409912,0.177405923604965,0.555909514427185,0.127273827791214,0.407270014286041,2.50358724594116,9.61439323425293,0.0228554345667362,3.5031566619873,0.140497893095016,3.55239701271057,16.9938659667969,11.9974966049194,0.438265264034271,1.22833609580994
InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-1-2-5%287%2810%2911%296%289%293-4%2Fh1-3H%2C%28H2%2C10%2C11%29,6.33299589157104,9.72506713867188,-0.344655632972717,0.489795088768005,34.9701538085938,0.229381904006004,0.522291660308838,0.278309732675552,0.308735251426697,1.95521903038025,9.89482879638672,0.0520888902246952,4.0478982925415,0.329878717660904,5.1519603729248,18.838659286499,11.9985513687134,0.1665408462286,1.29039645195007
InChI%3D1S%2FC3H9N%2Fc1-2-3-4%2Fh2-4H2%2C1H3,3.23332285881042,5.67201805114746,-0.36390745639801,0.493828952312469,14.0090980529785,0.164914533495903,0.597027778625488,0.333569228649139,0.278994500637054,0.902079224586487,3.07336831092834,0.167786136269569,1.78873682022095,0.542506754398346,4.44107437133789,7.18207025527954,11.9937324523926,0.0268030297011137,1.4244259595871
InChI%3D1S%2FC7H7ClO%2Fc1-5-4-6%289%292-3-7%285%298%2Fh2-4%2C9H%2C1H3,5.96849679946899,8.8914909362793,-0.360410183668137,0.494363963603973,34.9693794250488,0.200039640069008,0.600017488002777,0.125000044703484,0.383497685194016,2.28890466690063,8.77385425567627,0.0164494551718235,3.58141374588013,0.0981785207986832,4.87362146377563,15.5471706390381,11.9985513687134,0.123503752052784,1.21938157081604
InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2,6.57262706756592,7.85413932800293,-0.383152961730957,0.591676354408264,16.0169315338135,0.204023003578186,0.573001325130463,0.132202699780464,0.374354928731918,2.46049547195435,10.6482591629028,0.0202810689806938,3.97883200645447,0.13329990208149,3.59796929359436,18.52587890625,11.9989995956421,0.190449684858322,1.29688036441803
InChI%3D1S%2FC2H7NO%2Fc3-1-2-4%2Fh4H%2C1-3H2,2.97062230110168,5.19475555419922,-0.419866919517517,0.566962778568268,15.9979419708252,0.182966783642769,0.638241589069366,0.350760400295258,0.260317236185074,0.773304164409637,2.52648448944092,0.162393718957901,1.7149076461792,0.482410430908203,3.58742308616638,6.13685321807861,11.9966878890991,0.0813468769192696,1.55596470832825
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InChI%3D1S%2FC12H23N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-11H2%2C1H3,10.3536825180054,7.53557586669922,-0.436739772558212,0.481381475925446,14.0499601364136,0.152258574962616,0.592869102954865,0.501441061496735,0.379493027925491,3.92915010452271,30.0818977355957,0.0841622054576874,5.55314302444458,0.871388733386993,3.75590395927429,59.4485282897949,11.9529848098755,0.289353936910629,1.5756915807724
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InChI%3D1S%2FC11H18N2O2S.Na%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%3B%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29%3B%2Fq%3B%2B1%2Fp-1,,12.1098175048828,-0.347178131341934,,31.9720726013184,,,,,,,,,,-2.00572912945063e-06,,11.9962329864502,0.284497112035751,
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InChI%3D1S%2FC10H20O%2Fc1-3-4-5-6-7-8-9-10%282%2911%2Fh3-9H2%2C1-2H3,15.1617431640625,7.4465503692627,-0.38516291975975,0.451715290546417,16.0059261322021,0.424747139215469,0.5652796626091,0.376120895147324,0.0587545074522495,0.890820801258087,21.312671661377,0.0415826551616192,13.6404571533203,0.630465567111969,4.09105682373047,44.1353302001953,11.9885759353638,0.215311527252197,1.39311587810516
InChI%3D1S%2FC8H5Cl3O%2Fc1-4%2812%295-2-3-6%289%298%2811%297%285%2910%2Fh2-3H%2C1H3,7.10042238235474,10.6934432983398,-0.293962955474854,0.389056980609894,34.9710578918457,0.261466145515442,0.529488861560822,0.229858532547951,0.260582655668259,1.85024690628052,11.6897640228271,0.0574624985456467,4.84216737747192,0.408008009195328,4.86371469497681,22.445613861084,11.9985437393188,0.161858201026917,1.1484043598175
InChI%3D1S%2FC7H6Cl2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4H%2C1H3,5.80135536193848,9.4958438873291,-0.172599121928215,0.446362167596817,34.9701538085938,0.242458090186119,0.517156302928925,0.133333384990692,0.325349926948547,1.8874706029892,7.78598737716675,0.0180392805486917,3.80923247337341,0.104652278125286,6.13492918014526,14.3397731781006,11.9985513687134,0.142387643456459,1.09685182571411
InChI%3D1S%2FC7H5NO3%2Fc9-5-6-3-1-2-4-7%286%298%2810%2911%2Fh1-5H,6.02384948730469,8.20138645172119,-0.302103966474533,0.563990533351898,16.0169315338135,0.165845468640327,0.578967571258545,0.17242394387722,0.429199606180191,2.58543395996094,9.21854591369629,0.0163397714495659,3.3399875164032,0.0984283313155174,3.64729332923889,16.0923557281494,11.9989995956421,0.175942078232765,1.31538200378418
InChI%3D1S%2FC6H15N3%2Fc7-1-4-9-5-2-8-3-6-9%2Fh8H%2C1-7H2,5.78156518936157,8.30963134765625,-0.328877925872803,0.515500903129578,14.0050830841064,0.143517374992371,0.549769043922424,0.579501986503601,0.274933874607086,1.58954811096191,10.1777210235596,0.200376287102699,3.03352856636047,1.15848863124847,4.89723062515259,21.5454483032227,11.8999996185303,0.11022837460041,1.6447719335556
InChI%3D1S%2FC9H14N.HI%2Fc1-10%282%2C3%299-7-5-4-6-8-9%3B%2Fh4-8H%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1,,9.56669998168945,-0.344098448753357,,126.904472351074,,,,,,,,,,5.78999280929565,,11.8500003814697,0.163071349263191,
InChI%3D1S%2FC20H34O%2Fc1-7-19%285%2C21%2914-11-16-15%282%299-10-17-18%283%2C4%2912-8-13-20%2816%2C17%296%2Fh7%2C16-17%2C21H%2C1-2%2C8-14H2%2C3-6H3%2Ft16-%2C17%3F%2C19%2B%2C20%2B%2Fm0%2Fs1,12.6146221160889,12.8684463500977,-0.385532915592194,0.42871031165123,15.9949197769165,0.168929532170296,0.506810545921326,0.496252685785294,0.261635720729828,3.3004355430603,46.7216339111328,0.179791569709778,7.04618358612061,2.26800274848938,5.73178386688232,112.079734802246,11.8900003433228,0.0808208733797073,1.43177354335785
InChI%3D1S%2FC9H10O3%2Fc1-2-12-9%2811%297-5-3-4-6-8%287%2910%2Fh3-6%2C10H%2C2H2%2C1H3,9.84845161437988,8.60394382476807,-0.385328590869904,0.511382877826691,15.998703956604,0.349615871906281,0.587224364280701,0.174644827842712,0.184419602155685,1.81624758243561,15.8363523483276,0.0160925760865211,7.87371730804443,0.15848696231842,4.57270956039429,27.951265335083,11.9962692260742,0.295819312334061,1.27325212955475
InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh1%2C4H%2C3H2,3.18349146842957,4.7207555770874,-0.406800657510757,0.407764971256256,15.9979419708252,0.309047251939774,0.469431012868881,0.274824053049088,0.186291113495827,0.59305614233017,2.05232763290405,0.0683125704526901,2.37296271324158,0.217472478747368,3.49963140487671,5.54186820983887,11.9965486526489,0.12771825492382,1.15202009677887
InChI%3D1S%2FC13H10O%2Fc14-13%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,10.3943214416504,9.24098682403564,-0.2876997590065,0.449444204568863,15.9949178695679,0.317412972450256,0.566642701625824,0.503200113773346,0.144962221384048,1.50678396224976,21.4418601989746,0.0984871536493301,7.86383056640625,1.02370715141296,5.38518095016479,43.9661827087402,11.8500003814697,0.192894250154495,1.51928699016571
InChI%3D1S%2FC6H3Br3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,5.57642984390259,11.1521701812744,-0.356754779815674,0.425572246313095,78.9204025268555,0.177630603313446,0.459345757961273,0.391183525323868,0.429825872182846,2.39689373970032,7.62101030349731,4.98444396868081e-10,3.17953610420227,2.77954015359683e-09,6.3452467918396,13.1974401473999,11.9988508224487,0.137113213539124,1.27610146999359
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,4.05732011795044,6.39342927932739,-0.211758151650429,0.523467063903809,12.1500539779663,0.125002101063728,0.523463845252991,0.515548586845398,0.499997198581696,2.02864861488342,4.1154613494873,6.43662290134017e-10,2.02867126464844,2.61154387004581e-09,6.09337520599365,8.17278099060059,11.8500003814697,0.0882962495088577,1.5624794960022
InChI%3D1S%2FC2H5ClO%2Fc3-1-2-4%2Fh4H%2C1-2H2,2.496985912323,6.0698094367981,-0.39399915933609,0.454125970602036,34.9693794250488,0.128921285271645,0.757207751274109,0.359048396348953,0.325046330690384,0.811636030673981,1.90253686904907,0.169725298881531,1.26154816150665,0.42380166053772,3.81324791908264,4.83346080780029,11.998706817627,0.114576399326324,1.5703821182251
InChI%3D1S%2FC11H12O2%2Fc1-9%282%2911%2812%2913-8-10-6-4-3-5-7-10%2Fh3-7H%2C1%2C8H2%2C2H3,12.1901369094849,8.42772769927979,-0.30733922123909,0.371109187602997,15.9959201812744,0.351104497909546,0.585965096950531,0.312854081392288,0.108124010264874,1.31804645061493,25.0968112945557,0.0904033333063126,9.77006149291992,1.1020290851593,4.52101802825928,51.478214263916,11.8500003814697,0.288643419742584,1.26992833614349
InChI%3D1S%2FC4Cl6%2Fc5-1%283%287%298%292%286%294%289%2910,5.24443912506104,11.8670063018799,-0.143226534128189,0.441949248313904,34.9739570617676,0.232284873723984,0.461736977100372,0.46607369184494,0.201547130942345,1.05700170993805,7.17471361160278,0.155406355857849,3.37241816520691,0.815019190311432,7.27336740493774,15.3244123458862,11.9985990524292,0.232119083404541,1.36975991725922
InChI%3D1S%2FC8H18S%2Fc1-7%282%2C3%299-8%284%2C5%296%2Fh1-6H3,7.45850610733032,10.9665756225586,-0.149546504020691,0.522301137447357,31.9720706939697,0.214424654841423,0.634656131267548,0.545457661151886,0.208391785621643,1.55429148674011,15.1147708892822,0.172375351190567,4.61855220794678,1.28566265106201,7.41219234466553,31.8025035858154,11.8900003433228,0.0927481204271317,1.70241498947144
InChI%3D1S%2FC8H16O2%2Fc1-3-5-6-7-8%289%2910-4-2%2Fh3-7H2%2C1-2H3,12.0956745147705,7.13281869888306,-0.31593582034111,0.460084021091461,15.9959182739258,0.361431419849396,0.569464683532715,0.406449258327484,0.101627565920353,1.22925400733948,23.2729225158691,0.0831305459141731,9.86089992523193,1.00551998615265,4.15400981903076,47.557056427002,11.8900003433228,0.261476516723633,1.43599796295166
InChI%3D1S%2FC6H14O%2Fc1-4-6%283%2C7%295-2%2Fh7H%2C4-5H2%2C1-3H3,3.00086808204651,5.63900327682495,-0.275394976139069,0.34975066781044,16.0168151855469,0.159386783838272,0.551722407341003,0.440689027309418,0.338128656148911,1.01467955112457,2.58565068244934,0.116022303700447,1.63802099227905,0.34816762804985,2.82572150230408,6.16519641876221,11.9989995956421,0.173324480652809,1.34216213226318
InChI%3D1S%2FC6H12O2%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H%2C7%2C8%29,15.5169315338135,10.7377500534058,-0.41000309586525,0.508637070655823,16.0016689300537,0.105832777917385,0.593520402908325,0.496619343757629,0.369486808776855,5.73330116271973,73.9209823608398,0.156069502234459,7.36191034317017,2.421719789505,4.9506516456604,191.653991699219,11.9961462020874,0.299705773591995,1.59877681732178
InChI%3D1S%2FC10H11NO4%2Fc1-14-9%2812%296-3-4-7%288%2811%295-6%2910%2813%2915-2%2Fh3-5H%2C11H2%2C1-2H3,13.9511137008667,9.00253105163574,-0.34601041674614,0.385787010192871,15.9992895126343,0.377197057008743,0.509023249149323,0.261620342731476,0.143960654735565,2.0084114074707,27.2047958374023,0.0197766050696373,11.6667966842651,0.275905668735504,4.48631858825684,47.6208572387695,11.9962491989136,0.295080959796906,1.15643060207367
InChI%3D1S%2FC5H10O%2Fc1-4%282%295%283%296%2Fh4H%2C1-3H3,4.16307163238525,7.17425346374512,-0.384554028511047,0.444775193929672,16.0059242248535,0.123086877167225,0.502125203609467,0.370769321918488,0.31187179684639,1.29834449291229,5.36331748962402,0.190679043531418,2.07091641426086,0.793810486793518,4.0960111618042,11.6607570648193,11.9887399673462,0.217477157711983,1.31766974925995
InChI%3D1S%2FC4H8O2%2Fc1-3-6-4%282%295%2Fh3H2%2C1-2H3,5.62419986724854,5.37165546417236,-0.339879035949707,0.508196711540222,16.0060234069824,0.344910353422165,0.635274052619934,0.428512752056122,0.146667420864105,0.824886918067932,5.46730899810791,0.0601187683641911,4.4611930847168,0.338119983673096,3.53932857513428,12.3357839584351,11.988787651062,0.33205172419548,1.57198345661163
InChI%3D1S%2FC6H14O%2Fc1-2-3-4-5-6-7%2Fh7H%2C2-6H2%2C1H3,7.94303369522095,6.81652355194092,-0.421716451644897,0.659955739974976,15.9979429244995,0.389279186725616,0.52601957321167,0.571383416652679,0.0913689360022545,0.72574657201767,8.26338958740234,0.05625881254673,6.77042150497437,0.446865648031235,3.90619826316833,18.4021472930908,11.9963550567627,0.0696816220879555,1.75735878944397
InChI%3D1S%2FC9H9Cl%2Fc1-2-8-4-3-5-9%286-8%297-10%2Fh2-6H%2C1%2C7H2,7.79495573043823,8.99263858795166,-0.210814878344536,0.468699157238007,34.9693794250488,0.286484897136688,0.528989672660828,0.0914851203560829,0.262573927640915,2.04675197601318,12.7262468338013,0.0221128705888987,5.57583475112915,0.172368839383125,5.61879587173462,22.4883365631104,11.9985370635986,0.116642720997334,1.0891740322113
InChI%3D1S%2FC11H16O%2Fc1-4-11%282%2C3%299-5-7-10%2812%298-6-9%2Fh5-8%2C12H%2C4H2%2C1-3H3,8.18812561035156,10.1988496780396,-0.360430359840393,0.563528299331665,15.9949178695679,0.204816192388535,0.444416880607605,0.430959016084671,0.23749041557312,1.94460141658783,18.4873580932617,0.156088009476662,4.96545600891113,1.2780681848526,4.81031608581543,39.0162963867188,11.8500003814697,0.10691387206316,1.43890416622162
InChI%3D1S%2FC12H24O%2Fc1-3-4-5-6-7-8-9-10-11-12%282%2913%2Fh3-11H2%2C1-2H3,21.0737552642822,7.54440546035767,-0.385164618492126,0.476275950670242,16.0059261322021,0.446076154708862,0.563787937164307,0.395486861467361,0.0420531369745731,0.886217534542084,30.1919860839844,0.0298453364521265,19.5585842132568,0.628953278064728,4.09477138519287,62.1674880981445,11.9885320663452,0.215325176715851,1.43555080890656
InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3,97.044792175293,8.34881782531738,-0.421305805444717,0.544637501239777,15.9979429244995,0.450744897127151,0.55458801984787,0.400743693113327,0.0586477406322956,5.69145774841309,581.754638671875,0.00702575081959367,90.6715240478516,0.681812524795532,4.37945222854614,1030.65087890625,11.9962921142578,0.0723837167024612,1.4999692440033
InChI%3D1S%2FC8H7NO4%2Fc1-13-8%2810%296-2-4-7%285-3-6%299%2811%2912%2Fh2-5H%2C1H3,8.00532150268555,8.34938335418701,-0.318528324365616,0.41850358247757,16.0169982910156,0.286074817180634,0.531821072101593,0.337022989988327,0.180291295051575,1.44328987598419,14.2778921127319,0.104942262172699,5.7219352722168,0.840096592903137,3.531898021698,29.2210750579834,11.9989995956421,0.26918751001358,1.28734767436981
InChI%3D1S%2FC10H14N2.H2O4S%2Fc1-12-7-3-5-10%2812%299-4-2-6-11-8-9%3B1-5%282%2C3%294%2Fh2%2C4%2C6%2C8%2C10H%2C3%2C5%2C7H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29,,9.72507095336914,-0.302646368741989,,31.9728298187256,,,,,,,,,,5.05649995803833,,11.9989995956421,0.412793606519699,
InChI%3D1S%2FC2H8N2%2Fc3-1-2-4%2Fh1-4H2,3.03217625617981,5.51555299758911,-0.361754268407822,0.481200754642487,14.0092763900757,0.148615390062332,0.636707901954651,0.322810709476471,0.286468327045441,0.868622481822968,2.76887965202332,0.182044491171837,1.61156284809113,0.551990985870361,4.39873313903809,6.57375478744507,11.9938325881958,0.0384393036365509,1.44071936607361
InChI%3D1S%2FC10H12N2.ClH%2Fc1-2-4-9%285-3-1%298-10-11-6-7-12-10%3B%2Fh1-5H%2C6-8H2%2C%28H%2C11%2C12%29%3B1H,,8.95451068878174,-0.301382839679718,,34.9688529968262,,,,,,,,,,2.72999739646912,,11.9944229125977,0.104217275977135,
InChI%3D1S%2FC10H12N2O5%2Fc1-3-6%282%298-4-7%2811%2814%2915%295-9%2810%288%2913%2912%2816%2917%2Fh4-6%2C13H%2C3H2%2C1-2H3,10.3680601119995,8.33044624328613,-0.410298824310303,0.365212231874466,16.0008010864258,0.227333381772041,0.5569948554039,0.255085617303848,0.277163773775101,2.87365055084229,27.4468593597412,0.0863917246460915,6.59869480133057,0.895714521408081,4.39896202087402,54.7997627258301,11.9961633682251,0.261631101369858,1.17729270458221
InChI%3D1S%2FC7H5F4N%2Fc8-6-2-1-4%2812%293-5%286%297%289%2C10%2911%2Fh1-3H%2C12H2,6.60678768157959,7.60235261917114,-0.302478641271591,0.485074311494827,19.0020351409912,0.233451247215271,0.569333910942078,0.129190504550934,0.334019750356674,2.20679759979248,10.3114099502563,0.0213785860687494,4.25874662399292,0.141243785619736,3.47840285301208,18.2456340789795,11.9974966049194,0.439443200826645,1.18359875679016
InChI%3D1S%2FC7H3I2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,6.31214570999146,13.5955772399902,-0.358296006917953,0.383960783481598,126.90552520752,0.222862869501114,0.44246307015419,0.268323808908463,0.369516164064407,2.33243989944458,9.28242492675781,2.68112421153432e-09,3.97970604896545,1.69236482605584e-08,4.83066987991333,15.5945711135864,11.9989109039307,0.152550771832466,1.09474766254425
InChI%3D1S%2FC8H6ClN%2Fc1-6-3-2-4-8%289%297%286%295-10%2Fh2-4H%2C1H3,6.09766435623169,9.28714847564697,-0.422630935907364,0.455535292625427,34.9688529968262,0.176245734095573,0.587931096553802,0.124999493360519,0.415576249361038,2.53404450416565,9.37050342559814,0.0160961095243692,3.4654712677002,0.0981486737728119,4.49892520904541,16.3300762176514,11.9530277252197,0.32118359208107,1.16846585273743
InChI%3D1S%2FC4H3BrS%2Fc5-4-1-2-6-3-4%2Fh1-3H,3.79201221466064,10.182806968689,-0.188665255904198,0.590493321418762,78.9185180664062,0.134779632091522,0.645484864711761,0.377925962209702,0.306421756744385,1.16195499897003,4.38787460327148,0.18053874373436,1.94545209407806,0.684605121612549,7.366943359375,9.72745609283447,11.9988651275635,0.103455178439617,1.6139041185379
InChI%3D1S%2FC15H12Cl4O2%2Fc1-15%282%2C7-3-9%2816%2913%2820%2910%2817%294-7%298-5-11%2818%2914%2821%2912%2819%296-8%2Fh3-6%2C20-21H%2C1-2H3,11.8882808685303,12.4761953353882,-0.357257932424545,0.529907703399658,34.9720077514648,0.228439196944237,0.435106188058853,0.508551359176636,0.245122179389,2.91408133506775,36.6963119506836,0.116958893835545,7.58375930786133,1.3904402256012,5.84320592880249,79.3128967285156,11.9985160827637,0.148984253406525,1.47356522083282
InChI%3D1S%2FC4H10O%2Fc1-4%282%293-5%2Fh4-5H%2C3H2%2C1-2H3,3.85386657714844,6.61975288391113,-0.421345174312592,0.470232486724854,15.9979419708252,0.107856839895248,0.496686846017838,0.442305773496628,0.357953071594238,1.37950336933136,4.58201360702515,0.164904460310936,1.83884334564209,0.635519802570343,3.94567322731018,10.0479974746704,11.9964618682861,0.0718539729714394,1.40922510623932
InChI%3D1S%2FC9H11NO%2Fc1-2-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3,8.82435703277588,8.74125671386719,-0.302669763565063,0.440000236034393,15.9949178695679,0.322076588869095,0.567791342735291,0.404513984918594,0.17304502427578,1.52701103687286,14.9555463790894,0.0641861781477928,6.73094415664673,0.566401720046997,4.7842755317688,29.6015090942383,11.8500003814697,0.162367597222328,1.4123055934906
InChI%3D1S%2FC9H11Cl3NO3PS%2Fc1-3-14-17%2818%2C15-4-2%2916-9-7%2811%295-6%2810%298%2812%2913-9%2Fh5H%2C3-4H2%2C1-2H3,12.5331506729126,9.89137744903564,-0.309416651725769,0.408632189035416,34.971061706543,0.143275856971741,0.479280769824982,0.333910316228867,0.336577087640762,4.21837139129639,46.5284614562988,0.139055088162422,6.57198095321655,1.74279832839966,5.01833963394165,107.377311706543,11.9985370635986,0.299434274435043,1.22182333469391
InChI%3D1S%2FC11H16N2O2%2Fc1-8-7-9%2815-11%2814%2912-2%295-6-10%288%2913%283%294%2Fh5-7H%2C1-4H3%2C%28H%2C12%2C14%29,13.7575225830078,9.42718982696533,-0.32553631067276,0.359086811542511,15.995922088623,0.335547208786011,0.507022500038147,0.333369135856628,0.140698492527008,1.93566262722015,34.4935646057129,0.0785718932747841,10.7409057617188,1.08095467090607,4.6828875541687,70.724967956543,11.9934062957764,0.28331732749939,1.19947850704193
InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H,2.75971102714539,8.80775833129883,-0.144798561930656,0.508221209049225,34.9710578918457,0.203877523541451,0.572782099246979,0.63720977306366,0.394829958677292,1.08961653709412,1.81976246833801,3.68428274000188e-11,1.67009437084198,1.01675556862801e-10,5.76899528503418,4.5794734954834,11.998706817627,0.223458230495453,1.71821308135986
InChI%3D1S%2FC5H13N%2Fc1-2-3-4-5-6%2Fh2-6H2%2C1H3,6.00088024139404,6.6570291519165,-0.363880604505539,0.438170075416565,14.0090990066528,0.316469609737396,0.587486803531647,0.354066967964172,0.146228939294815,0.87750232219696,7.17423868179321,0.0984782353043556,4.53242158889771,0.590956091880798,4.67864179611206,15.5254755020142,11.993597984314,0.02707314863801,1.37972378730774
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,3.777024269104,6.16526651382446,-0.264029264450073,0.588789463043213,14.0030765533447,0.175429627299309,0.570145785808563,0.529670774936676,0.432760506868362,1.63454687595367,3.50197982788086,3.66515734429029e-10,2.14247751235962,1.38433886576195e-09,5.71635961532593,7.27900409698486,11.8500003814697,0.145878687500954,1.68860602378845
InChI%3D1S%2FC8H18S2%2Fc1-3-5-9-7-8-10-6-4-2%2Fh3-8H2%2C1-2H3,13.2226324081421,10.0307292938232,-0.166103914380074,0.534545063972473,31.973072052002,0.402404218912125,0.593230187892914,0.356668919324875,0.0874634012579918,1.1564964056015,20.4431190490723,0.0426643118262291,11.5020017623901,0.564134538173676,5.6069598197937,41.1698837280273,11.8900003433228,0.054816473275423,1.48444414138794
InChI%3D1S%2FC9H9Cl2NO%2Fc1-2-9%2813%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C2H2%2C1H3%2C%28H%2C12%2C13%29,10.34983253479,9.72548866271973,-0.348026484251022,0.382494211196899,34.9701538085938,0.35074707865715,0.571729421615601,0.231047719717026,0.153130203485489,1.58487200737,17.827392578125,0.0458736903965473,8.29017543792725,0.474785029888153,5.09210109710693,34.4153633117676,11.9985370635986,0.144404903054237,1.18527138233185
InChI%3D1S%2FC7H3Cl2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,6.05528688430786,9.2873592376709,-0.356726050376892,0.410820811986923,34.9701538085938,0.2337466776371,0.438240766525269,0.279679358005524,0.3550044298172,2.149653673172,8.39575862884521,1.03840192000604e-09,3.90563297271729,6.28782181877341e-09,4.39979314804077,14.4510450363159,11.9985513687134,0.153132140636444,1.12874090671539
InChI%3D1S%2FC8H6BrNO5%2Fc1-15-8-6%2810%2813%2914%294%283-11%292-5%289%297%288%2912%2Fh2-3%2C12H%2C1H3,8.242431640625,10.3559436798096,-0.381172746419907,0.437212884426117,78.9183349609375,0.171253398060799,0.509678363800049,0.284739345312119,0.403852581977844,3.32872724533081,17.6719455718994,0.0344762094318867,4.62953615188599,0.284167796373367,3.91351795196533,30.2935352325439,11.9989995956421,0.203045427799225,1.23163056373596
InChI%3D1S%2FC9H12O%2Fc1-2-3-8-4-6-9%2810%297-5-8%2Fh4-7%2C10H%2C2-3H2%2C1H3,8.73444652557373,8.5028190612793,-0.360424399375916,0.400391846895218,15.9949169158936,0.34477424621582,0.530053973197937,0.35080361366272,0.155044302344322,1.35422611236572,13.1358957290649,0.0519233606755733,6.92669820785522,0.453521817922592,4.73172187805176,26.1245193481445,11.8500003814697,0.106628142297268,1.28124940395355
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,3.443439245224,9.03900241851807,-0.213589757680893,0.292352288961411,34.9710578918457,0.140863060951233,0.579305052757263,0.336266696453094,0.270052284002304,0.929908633232117,3.62759971618652,0.208796977996826,1.79455101490021,0.718979716300964,5.65861177444458,8.27084922790527,11.9986352920532,0.114917285740376,1.20792400836945
InChI%3D1S%2FC11H18N2O3.Na%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%3B%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29%3B%2Fq%3B%2B1%2Fp-1,,11.7285671234131,-0.347115010023117,,22.9897708892822,,,,,,,,,,-2.24614882426977e-06,,11.9962329864502,0.372299611568451,
InChI%3D1S%2FC7H4ClFO%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-4H,5.5435585975647,8.88443470001221,-0.297225445508957,0.461274892091751,34.9693794250488,0.211045667529106,0.531766057014465,0.159876316785812,0.379894405603409,2.10596704483032,7.34105253219604,0.00537804467603564,3.40777826309204,0.0298135057091713,4.02821350097656,13.0985727310181,11.9985513687134,0.154784485697746,1.15291726589203
InChI%3D1S%2FC11H25N%2Fc1-2-3-4-5-6-7-8-9-10-11-12%2Fh2-12H2%2C1H3,20.5271034240723,7.51912498474121,-0.363888680934906,0.542488157749176,14.0091018676758,0.446692526340485,0.572925209999084,0.452095717191696,0.0423771701753139,0.869880557060242,28.3327808380127,0.028699466958642,19.0681056976318,0.589116930961609,4.75646781921387,58.6315498352051,11.9934062957764,0.0272116214036942,1.56750917434692
InChI%3D1S%2FC6H4Cl2%2Fc7-5-2-1-3-6%288%294-5%2Fh1-4H,4.6056113243103,8.69332408905029,-0.178226217627525,0.557248950004578,34.9701538085938,0.146708756685257,0.469660401344299,0.304591923952103,0.471055001020432,2.1694962978363,5.28514242172241,6.65981825243023e-10,2.436115026474,3.06725356225002e-09,6.12577724456787,9.89075374603271,11.9985628128052,0.122495345771313,1.33150124549866
InChI%3D1S%2FC11H8O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6H%2C1H3,8.6776180267334,9.57388782501221,-0.367689698934555,0.485011130571365,16.0060253143311,0.289812952280045,0.55604088306427,0.225099891424179,0.263283044099808,2.28466963768005,15.5253190994263,0.0169663615524769,6.24572086334229,0.147227615118027,5.09952116012573,26.3037891387939,11.9885530471802,0.268517971038818,1.26615190505981
InChI%3D1S%2FC7H16O%2Fc1-2-3-4-5-6-7-8%2Fh8H%2C2-7H2%2C1H3,9.67747688293457,7.07208299636841,-0.421717911958694,0.602159559726715,15.9979429244995,0.395228803157806,0.563405990600586,0.524305582046509,0.0863351225852966,0.83550614118576,11.6867532730103,0.0533597990870476,8.32558250427246,0.516388177871704,3.92593622207642,24.9562664031982,11.996319770813,0.0696944445371628,1.68987107276917
InChI%3D1S%2FC8H8N2O%2Fc1-5-3-6%282%2910-8%2811%297%285%294-9%2Fh3H%2C1-2H3%2C%28H%2C10%2C11%29,7.51774501800537,8.56803703308105,-0.34372866153717,0.456766366958618,15.9949178695679,0.213326290249825,0.502701878547668,0.210526078939438,0.360271662473679,2.70843052864075,13.7924060821533,0.0219599436968565,4.64422512054443,0.165089249610901,4.35419845581055,23.3867359161377,11.988489151001,0.232759356498718,1.16999435424805
InChI%3D1S%2FC7H12O4%2Fc1-3-10-6%288%295-7%289%2911-4-2%2Fh3-5H2%2C1-2H3,11.7214794158936,6.86263465881348,-0.316491395235062,0.417421132326126,15.9979219436646,0.40679270029068,0.56278258562088,0.45063641667366,0.0772892534732819,0.905944406986237,15.4516906738281,0.0469871535897255,10.2647762298584,0.550758957862854,4.09489059448242,32.2948532104492,11.8900003433228,0.272400766611099,1.43084013462067
InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%288%296%2811%295%2810%294%282%299%2Fh1%2C11H,5.61454486846924,10.5175161361694,-0.356240749359131,0.467998653650284,34.9720077514648,0.178984463214874,0.485733181238174,0.21870644390583,0.428020715713501,2.40314149856567,7.71745729446411,2.98993829694894e-09,3.21140336990356,1.67871423428778e-08,5.93893146514893,13.3320026397705,11.9985628128052,0.171638190746307,1.17243826389313
InChI%3D1S%2FC12H19NO%2Fc1-2-3-4-5-10-14-12-8-6-11%2813%297-9-12%2Fh6-9H%2C2-5%2C10%2C13H2%2C1H3,19.6839828491211,8.08799076080322,-0.345477998256683,0.437782794237137,15.9949178695679,0.440731763839722,0.566199541091919,0.370968461036682,0.0643258616328239,1.26618921756744,28.5654144287109,0.0146984504535794,18.1284694671631,0.289324045181274,5.11348104476929,54.8905639648438,11.8500003814697,0.114338994026184,1.37495076656342
InChI%3D1S%2FC12H10O%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10H,10.4039793014526,8.29298782348633,-0.309928715229034,0.524030566215515,15.9949178695679,0.340231657028198,0.579400956630707,0.530852019786835,0.141138240695,1.46839928627014,19.2445850372314,0.0718862041831017,8.18767738342285,0.747902572154999,6.49844932556152,38.6404342651367,11.8500003814697,0.105638116598129,1.63428354263306
InChI%3D1S%2FC9H19NO%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh9H%2C3-8H2%2C1-2H3,9.57144069671631,8.37313270568848,-0.284615844488144,0.497701078653336,15.9949178695679,0.217723801732063,0.56145179271698,0.463414520025253,0.296041488647461,2.83354353904724,23.6813907623291,0.0803267881274223,5.96905422210693,0.768843054771423,3.9409019947052,46.2567138671875,11.8900003433228,0.189438387751579,1.52256739139557
InChI%3D1S%2FC11H18N2O3%2Fc1-4-11%286-5-7%282%293%298%2814%2912-10%2816%2913-9%2811%2915%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29,9.93048667907715,11.3537540435791,-0.369982093572617,0.472977638244629,15.9987077713013,0.226214081048965,0.495319068431854,0.464250057935715,0.225751385092735,2.2418212890625,25.9587383270264,0.139296501874924,6.30538368225098,1.38328206539154,4.29382276535034,55.4426689147949,11.9962329864502,0.371293902397156,1.43254673480988
InChI%3D1S%2FC7H7NO%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H%2C%28H2%2C8%2C9%29,6.50589799880981,8.33022594451904,-0.347981721162796,0.538181960582733,15.9949169158936,0.286222070455551,0.549970388412476,0.349034428596497,0.285031110048294,1.85438323020935,8.62587738037109,6.15973749518162e-06,4.65147495269775,4.00746248487849e-05,4.84633588790894,15.1321220397949,11.8500003814697,0.172199204564095,1.43718671798706
InChI%3D1S%2FC6H14S2%2Fc1-5%282%297-8-6%283%294%2Fh5-6H%2C1-4H3,7.83734178543091,10.7540102005005,-0.135899320244789,0.594379186630249,31.973072052002,0.285554766654968,0.650841593742371,0.537144362926483,0.165955990552902,1.30065381526947,13.7640352249146,0.119970999658108,5.59643411636353,0.940253674983978,7.06327199935913,28.4455051422119,11.8900003433228,0.0928706154227257,1.78236508369446
InChI%3D1S%2FC8H7N%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-5H%2C1H3,5.8765287399292,8.30914115905762,-0.423144727945328,0.490879565477371,14.0499572753906,0.184852078557014,0.5860915184021,0.124999172985554,0.403499037027359,2.371173620224,8.64614772796631,0.0166981816291809,3.4072277545929,0.0981273502111435,4.24917984008789,15.3154602050781,11.9530277252197,0.319567263126373,1.20197021961212
InChI%3D1S%2FC11H15NO2%2Fc1-3-12%284-2%2910-6-5-9%288-13%2911%2814%297-10%2Fh5-8%2C14H%2C3-4H2%2C1-2H3,10.47767162323,9.51307392120361,-0.359939008951187,0.584487497806549,15.9959211349487,0.260623246431351,0.516311407089233,0.432135373353958,0.261619329452515,2.74116134643555,25.5084419250488,0.0575496666133404,7.13352394104004,0.602986514568329,3.9469096660614,47.7769966125488,11.8500003814697,0.192950561642647,1.53293430805206
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,2.06958723068237,8.48476219177246,-0.14991594851017,0.399998277425766,34.9710578918457,0.0434786640107632,0.39999982714653,0.38537535071373,0.391280770301819,0.809789657592773,1.38456475734711,0.217414334416389,0.80983954668045,0.44995790719986,5.93843698501587,3.74923419952393,11.9994735717773,0.286561369895935,1.1853734254837
InChI%3D1S%2FC7H9N%2Fc1-2-7-5-3-4-6-8-7%2Fh3-6H%2C2H2%2C1H3,6.26408052444458,7.7961311340332,-0.324549853801727,0.4178067445755,14.0142478942871,0.287799835205078,0.597651302814484,0.296111881732941,0.213040709495544,1.33450412750244,8.54509735107422,0.0698928311467171,4.49176216125488,0.437814325094223,5.36421346664429,17.433557510376,11.9885196685791,0.0914797186851501,1.31156992912292
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,4.40127944946289,7.11350584030151,-0.330045133829117,0.601470232009888,14.0082683563232,0.230546772480011,0.587595820426941,0.368219345808029,0.23797918856144,1.04741287231445,5.01832342147827,0.121291793882847,2.82002735137939,0.533839046955109,5.49149465560913,10.9964208602905,11.9946517944336,0.0551623143255711,1.55728542804718
InChI%3D1S%2FC16H22O4%2Fc1-3-5-10-19-15%2817%2913-8-7-9-14%2812-13%2916%2818%2920-11-6-4-2%2Fh7-9%2C12H%2C3-6%2C10-11H2%2C1-2H3,21.6543560028076,9.04839897155762,-0.312786787748337,0.428539901971817,15.9979305267334,0.364798307418823,0.605065166950226,0.408831000328064,0.1080422103405,2.33958435058594,72.9511108398438,0.0722267031669617,17.7507495880127,1.56402266025543,4.77099704742432,159.558349609375,11.8900003433228,0.294349014759064,1.44243609905243
InChI%3D1S%2FC9H11NO2.CH4O3S%2Fc1-2-12-9%2811%297-4-3-5-8%2810%296-7%3B1-5%282%2C3%294%2Fh3-6H%2C2%2C10H2%2C1H3%3B1H3%2C%28H%2C2%2C3%2C4%29,,8.64119720458984,-0.323054611682892,,31.9728298187256,,,,,,,,,,4.58201932907104,,11.9989995956421,0.283750891685486,
InChI%3D1S%2FC6H10O3%2Fc1-5%282%296%288%299-4-3-7%2Fh7H%2C1%2C3-4H2%2C2H3,7.78151750564575,7.32522439956665,-0.418272167444229,0.461243361234665,15.9987020492554,0.302790820598602,0.673743844032288,0.381792634725571,0.16842657327652,1.31061434745789,12.6992540359497,0.0945190042257309,5.73540210723877,0.735501289367676,3.77953267097473,26.0094623565674,11.9963550567627,0.288387686014175,1.51677989959717
InChI%3D1S%2FC8H18S2%2Fc1-3-9-7-5-6-8-10-4-2%2Fh3-8H2%2C1-2H3,13.3450183868408,9.25697040557861,-0.162665963172913,0.416680097579956,31.973072052002,0.378336578607559,0.576495945453644,0.501121520996094,0.110181033611298,1.47036778926849,25.2240161895752,0.0520368739962578,11.1802167892456,0.694433033466339,6.0181565284729,49.9848403930664,11.8900003433228,0.0798167958855629,1.49429762363434
InChI%3D1S%2FC13H11NO3%2Fc14-9-6-7-11%2812%2815%298-9%2913%2816%2917-10-4-2-1-3-5-10%2Fh1-8%2C15H%2C14H2,15.6777324676514,9.05768203735352,-0.35959130525589,0.311123341321945,15.9969263076782,0.391432225704193,0.57269823551178,0.227137327194214,0.088532991707325,1.38799655437469,31.6530342102051,0.0562240518629551,13.4082708358765,0.881465673446655,4.92425632476807,63.7354011535645,11.8500003814697,0.300880283117294,1.11095893383026
InChI%3D1S%2FC7H8O%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5%2C8H%2C1H3,5.6256537437439,7.73613262176514,-0.386376291513443,0.448919832706451,15.9979429244995,0.188007444143295,0.538004279136658,0.124999791383743,0.398543655872345,2.24206876754761,7.90868759155273,0.0174463987350464,3.28543782234192,0.0981473997235298,4.90359830856323,14.2573127746582,11.996319770813,0.10109868645668,1.11192393302917
InChI%3D1S%2FC11H16%2Fc1-2-3-5-8-11-9-6-4-7-10-11%2Fh4%2C6-7%2C9-10H%2C2-3%2C5%2C8H2%2C1H3,11.7733011245728,8.67978858947754,-0.210044160485268,0.380830258131027,12.1501264572144,0.380961507558823,0.554094195365906,0.42347463965416,0.101195096969604,1.19140040874481,19.3150615692139,0.057522889226675,9.90466690063477,0.677234292030334,5.16706943511963,39.0800132751465,11.8500003814697,0.0901038870215416,1.35839915275574
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,3.10332345962524,9.79723739624023,-0.140288695693016,0.666666686534882,34.9720077514648,0.17603911459446,0.783333957195282,0.558023631572723,0.431947857141495,1.34047377109528,2.36305356025696,1.33258529211311e-10,1.76284956932068,4.13544309907365e-10,6.75458335876465,5.46637678146362,11.998706817627,0.246189966797829,2.00802421569824
InChI%3D1S%2FC6H6BrN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,5.32074499130249,9.4926290512085,-0.302464962005615,0.496564090251923,78.9183349609375,0.23728321492672,0.461980640888214,0.280079066753387,0.348665714263916,1.85516142845154,6.45907592773438,0.0016233311034739,3.45694637298584,0.00863733049482107,5.60174703598022,11.8352136611938,11.8500003814697,0.10887249559164,1.23862373828888
InChI%3D1S%2FC7H4Br2O2%2Fc8-5-1-4%283-10%297%2811%296%289%292-5%2Fh1-3%2C11H,6.09755849838257,10.7215099334717,-0.383154273033142,0.472046732902527,78.9193344116211,0.189958110451698,0.548429548740387,0.407914936542511,0.413389176130295,2.52066469192505,9.01614952087402,5.64437885319791e-10,3.57689380645752,3.44169315269482e-09,4.24302864074707,15.1137084960938,11.996319770813,0.152532309293747,1.42839121818542
InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,8.34930324554443,9.16247272491455,-0.32415696978569,0.680789172649384,31.972677230835,0.158962726593018,0.654987454414368,0.299605965614319,0.426324337720871,3.55951142311096,18.1285629272461,0.0283920206129551,4.55273866653442,0.237053602933884,4.5205397605896,30.3194446563721,11.9985122680664,0.303577095270157,1.63538253307343
InChI%3D1S%2FC9H13N%2Fc1-8-4-6-9%287-5-8%2910%282%293%2Fh4-7H%2C1-3H3,8.92211246490479,8.74806976318359,-0.319609463214874,0.564519822597504,14.0091009140015,0.319411426782608,0.580947458744049,0.230781510472298,0.216382265090942,1.93058693408966,14.9725522994995,0.0244024898856878,6.7738037109375,0.21772176027298,5.91484212875366,26.7419033050537,11.9934511184692,0.0306909326463938,1.37624883651733
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,3.01243162155151,9.74158191680908,-0.173516392707825,0.707138299942017,34.9720077514648,0.105166308581829,0.687977492809296,0.483993887901306,0.287034839391708,0.864672780036926,2.88594746589661,0.239410102367401,1.42655229568481,0.721206545829773,6.56798601150513,6.78798818588257,11.998706817627,0.23259262740612,1.87910974025726
InChI%3D1S%2FC10H18%2Fc1-3-5-7-9-10-8-6-4-2%2Fh3-4H%2C1-2%2C5-10H2,14.0471668243408,7.4705662727356,-0.306948035955429,0.500018775463104,12.2100791931152,0.430666923522949,0.513684988021851,0.347310334444046,0.0554514788091183,0.778936207294464,16.9598007202148,0.0369926206767559,12.7485885620117,0.519641518592834,5.1206488609314,36.1671829223633,11.789999961853,0.113308720290661,1.36101412773132
InChI%3D1S%2FC6H5ClO%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C8H,4.82637166976929,8.43959712982178,-0.358384728431702,0.505593836307526,34.9693794250488,0.18450029194355,0.514745473861694,0.583950698375702,0.4206662774086,2.03029179573059,5.67685794830322,3.77002817852912e-10,2.7960798740387,1.81955561728842e-09,5.08318376541138,10.5032291412354,11.9985628128052,0.14658111333847,1.60429000854492
InChI%3D1S%2FC8H5F3O%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-5H,6.74043083190918,7.93013715744019,-0.297420918941498,0.493080496788025,19.0012531280518,0.231505930423737,0.547368824481964,0.115970864892006,0.338004499673843,2.27829599380493,10.7490749359131,0.0199876073747873,4.3274097442627,0.134725078940392,3.50963687896729,18.8177757263184,11.9974756240845,0.436399757862091,1.15642011165619
InChI%3D1S%2FC8H12N2O2S%2Fc1-3-9-6%2811%295-7%2812%2910%284-2%298%289%2913%2Fh3-5H2%2C1-2H3,9.14443302154541,11.333667755127,-0.280368059873581,0.450932323932648,31.9742794036865,0.260897517204285,0.561501085758209,0.468889892101288,0.242909789085388,2.22127223014832,19.7012786865234,0.0758935287594795,6.22915744781494,0.694003224372864,5.14539051055908,38.4483947753906,11.9970283508301,0.271850168704987,1.48132336139679
InChI%3D1S%2FC3H10N2%2Fc1-3%285%292-4%2Fh3H%2C2%2C4-5H2%2C1H3,3.6753511428833,6.76200342178345,-0.361530423164368,0.489897310733795,14.00927734375,0.108619034290314,0.61275839805603,0.517751038074493,0.305424571037292,1.1225426197052,4.2634859085083,0.216416701674461,1.75740110874176,0.79540741443634,4.71558523178101,9.50798320770264,11.9937324523926,0.0404976382851601,1.62040674686432
InChI%3D1S%2FC7H16O%2Fc1-5%282%297%288%296%283%294%2Fh5-8H%2C1-4H3,6.1277003288269,8.11251163482666,-0.391967982053757,0.437177091836929,15.9949159622192,0.208470791578293,0.564004421234131,0.432852923870087,0.210864394903183,1.29211378097534,10.3301734924316,0.177841231226921,3.74582862854004,1.08975780010223,5.21049308776855,21.7323417663574,11.8900003433228,0.0716043710708618,1.43403446674347
InChI%3D1S%2FC7H9N%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6%2C8H2,6.06252098083496,8.0458812713623,-0.326125860214233,0.422307729721069,14.003077507019,0.264125376939774,0.562163054943085,0.285067856311798,0.254495233297348,1.54288280010223,8.48507881164551,0.0600042417645454,4.15586137771606,0.363777011632919,5.08658981323242,16.8801403045654,11.8500003814697,0.0906970947980881,1.26953864097595
InChI%3D1S%2FC6H5ClO2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3%2C8-9H,5.2667670249939,8.37581825256348,-0.382623672485352,0.581228077411652,34.9688529968262,0.173457011580467,0.519542694091797,0.351365596055984,0.435390651226044,2.2931010723114,6.81891679763794,2.33963914908486e-09,2.9736659526825,1.23223342640699e-08,4.83405160903931,12.0856838226318,11.9963550567627,0.128645062446594,1.45213639736176
InChI%3D1S%2FC6H12O2%2Fc1-3-4-5-8-6%282%297%2Fh3-5H2%2C1-2H3,8.052978515625,6.5028247833252,-0.339880079030991,0.514848470687866,16.0060253143311,0.338868618011475,0.566392540931702,0.389119505882263,0.147607892751694,1.18868315219879,11.5828819274902,0.0672339573502541,6.32286167144775,0.541433572769165,3.65879321098328,23.7052097320557,11.9886989593506,0.332068532705307,1.47036051750183
InChI%3D1S%2FC17H18O2%2Fc1-17%282%2C3%2914-7-9-15%2810-8-14%2919-16-6-4-5-13%2811-16%2912-18%2Fh4-12H%2C1-3H3,16.5498657226562,9.67427921295166,-0.380548357963562,0.402121245861053,16.0060272216797,0.351129710674286,0.602759003639221,0.379113376140594,0.128080978989601,2.11972308158875,46.0456848144531,0.0704127326607704,13.2648220062256,1.16532123088837,3.90846633911133,95.3617630004883,11.9884519577026,0.233072280883789,1.38399362564087
InChI%3D1S%2FC9H14O2%2Fc1-2-9%2810%2911-8-6-4-3-5-7-8%2Fh2%2C8H%2C1%2C3-7H2,9.077317237854,8.24725723266602,-0.308971345424652,0.39141982793808,15.9959192276001,0.329175442457199,0.440645694732666,0.435255587100983,0.140975520014763,1.27967953681946,15.5009860992432,0.086790569126606,7.00981187820435,0.787825524806976,4.29883909225464,31.6453437805176,11.8999996185303,0.285637438297272,1.26732110977173
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,1.69785928726196,6.53172636032104,-0.18513411283493,0.806646883487701,34.9701538085938,0.10699699819088,0.400000005960464,0.400000005960464,0.335639655590057,0.569868922233582,0.901273846626282,0.18836435675621,0.808174252510071,0.319816172122955,4.95766448974609,2.74642562866211,11.9994735717773,0.185354650020599,1.60664689540863
InChI%3D1S%2FC8H11NO%2Fc10-6-2-4-8-3-1-5-9-7-8%2Fh1%2C3%2C5%2C7%2C10H%2C2%2C4%2C6H2,8.3606653213501,8.33606910705566,-0.395720273256302,0.376414865255356,15.9949169158936,0.348798751831055,0.515760242938995,0.372665196657181,0.140832811594009,1.17745614051819,11.8493404388428,0.0607688538730145,6.67514133453369,0.508068084716797,4.02272319793701,24.2032623291016,11.988489151001,0.0934742614626884,1.26484024524689
InChI%3D1S%2FC7H4Cl2O%2Fc8-6-2-1-5%284-10%297%289%293-6%2Fh1-4H,5.71925735473633,9.39578628540039,-0.297331571578979,0.479201197624207,34.9701538085938,0.228403612971306,0.481399595737457,0.163647070527077,0.362128287553787,2.07110476493835,7.5557107925415,2.40792815020541e-07,3.64815092086792,1.37715596792987e-06,4.10071611404419,13.2749786376953,11.9985513687134,0.151829481124878,1.12424790859222
InChI%3D1S%2FC6H15NO%2Fc1-3-7%284-2%295-6-8%2Fh8H%2C3-6H2%2C1-2H3,6.07497835159302,8.02737903594971,-0.419832170009613,0.466410994529724,15.9979429244995,0.140772461891174,0.477574408054352,0.574246942996979,0.340971559286118,2.07139492034912,10.9465475082397,0.137998476624489,3.16524577140808,0.838337779045105,4.06146097183228,22.51806640625,11.9963550567627,0.0818433836102486,1.51823234558105
InChI%3D1S%2FC6H14S2%2Fc1-3-7-5-6-8-4-2%2Fh3-6H2%2C1-2H3,6.82339000701904,9.79494476318359,-0.161834090948105,0.480661123991013,31.973072052002,0.203804612159729,0.524055242538452,0.447873651981354,0.277430057525635,1.89301335811615,12.6433238983154,0.117497131228447,4.12864780426025,0.80172872543335,6.08556890487671,25.7326946258545,11.8900003433228,0.0798034891486168,1.4525899887085
InChI%3D1S%2FC11H14O4%2Fc1-7%2812%298-5-6-9%2813-2%2911%2815-4%2910%288%2914-3%2Fh5-6H%2C1-4H3,10.5600671768188,9.2524938583374,-0.372974097728729,0.540236532688141,15.99928855896,0.186709836125374,0.503063082695007,0.42637825012207,0.312098205089569,3.29577803611755,30.7998352050781,0.10562202334404,6.14891386032104,1.11537575721741,4.67629194259644,63.9635009765625,11.9962329864502,0.162350952625275,1.46967780590057
InChI%3D1S%2FC6H12O%2Fc1-5%287%296%282%2C3%294%2Fh1-4H3,4.7489333152771,8.43704414367676,-0.29891049861908,0.471747398376465,15.9949159622192,0.12880402803421,0.467070013284683,0.418481767177582,0.248741939663887,1.18125879764557,7.01854562759399,0.246186017990112,2.39855337142944,1.16912090778351,4.42962169647217,15.079963684082,11.8900003433228,0.134945437312126,1.35729920864105
InChI%3D1S%2FC6H4FNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H,5.38469791412354,7.33500814437866,-0.275414705276489,0.520815491676331,18.998405456543,0.23131899535656,0.498050093650818,0.171800553798676,0.35824128985405,1.92902112007141,6.6660737991333,2.9413119051469e-08,3.45567631721497,1.58380757397936e-07,3.46688532829285,12.0507726669312,11.9989995956421,0.175439268350601,1.19066619873047
InChI%3D1S%2FC6H14%2Fc1-3-5-6-4-2%2Fh3-6H2%2C1-2H3,7.06001758575439,6.69988679885864,-0.170505166053772,0.659334063529968,12.1100749969482,0.371772468090057,0.556181192398071,0.599985837936401,0.104712717235088,0.739273607730865,7.41064739227295,0.0662573352456093,5.85296583175659,0.467777937650681,5.03814935684204,16.4947128295898,11.8900003433228,0.0497785061597824,1.81550109386444
InChI%3D1S%2FC13H26O%2Fc1-3-4-5-6-7-8-9-10-11-12-13%282%2914%2Fh3-12H2%2C1-2H3,24.4370288848877,7.57368135452271,-0.385165482759476,0.48613578081131,16.0059261322021,0.454141527414322,0.561935901641846,0.405585944652557,0.0352213680744171,0.860705614089966,34.8262672424316,0.025923253968358,22.942834854126,0.633487343788147,4.09538984298706,71.7727890014648,11.9885129928589,0.215332075953484,1.45365762710571
InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2,4.97105169296265,7.33338356018066,-0.302463263273239,0.494470834732056,14.003077507019,0.219981253147125,0.530339598655701,0.275500684976578,0.371585637331009,1.84717130661011,5.79779243469238,0.00177269522100687,3.11506819725037,0.00881215929985046,5.40718269348145,10.8195495605469,11.8500003814697,0.0978959873318672,1.30031108856201
InChI%3D1S%2FC10H16O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7H%2C4-6H2%2C1-3H3,5.85132074356079,10.5597658157349,-0.29856139421463,0.493451356887817,15.9949169158936,0.0262313820421696,0.552730023860931,0.528832495212555,0.327584087848663,1.91679954528809,11.376522064209,0.304107397794724,2.15509128570557,1.77942991256714,5.04624652862549,24.5784492492676,11.8999996185303,0.193803369998932,1.5750138759613
InChI%3D1S%2FC12H8BrNO%2Fc13-11-5-3-9%284-6-11%2912%2815%2910-2-1-7-14-8-10%2Fh1-8H,10.1470565795898,9.725754737854,-0.325216621160507,0.376556515693665,78.9183349609375,0.30519038438797,0.537909924983978,0.346540629863739,0.146880075335503,1.49040043354034,21.504373550415,0.112866051495075,7.51139736175537,1.14525818824768,5.44077491760254,44.472583770752,11.988395690918,0.194406822323799,1.26100707054138
InChI%3D1S%2FC7H13N3O3S%2Fc1-8-7%2812%2913-9-5%2814-4%296%2811%2910%282%293%2Fh1-4H3%2C%28H%2C8%2C12%29,11.3830013275146,10.4972229003906,-0.324189305305481,0.335728228092194,31.972677230835,0.227807953953743,0.55682897567749,0.400683283805847,0.271285682916641,3.08804535865784,33.1796417236328,0.0916370451450348,7.2518515586853,1.04310464859009,4.60395860671997,67.9219741821289,11.9984836578369,0.303630888462067,1.29324042797089
InChI%3D1S%2FC7H4Cl4%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3%2C7H,6.08334445953369,11.4128799438477,-0.173277124762535,0.426261335611343,34.9720077514648,0.20516873896122,0.572674334049225,0.133333325386047,0.348664373159409,2.12104535102844,9.4023962020874,0.0444439761340618,3.69193077087402,0.270368009805679,6.93306255340576,17.6029262542725,11.9985513687134,0.221705377101898,1.13226902484894