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

SMILES,WT.unity,BCUTp-1h,BCUTw-1h,BCUTc-1h,WV.unity,Wnu1.unity,BCUTp-1l,BCUTw-1l,Wnu2.unity,BCUTc-1l,WA.unity,Weta2.unity,Wlambda3.unity,Wlambda1.unity,WD.unity,WK.unity,Weta3.unity,Weta1.unity,Wlambda2.unity
InChI%3D1S%2FC12H19N%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9H%2C13H2%2C1-4H3,10.1473522186279,9.93316173553467,14.0091028213501,0.0535368695855141,51.1554260253906,0.113465800881386,6.36878108978271,11.99338722229,0.202175870537758,-0.336046010255814,24.6045951843262,0.372311174869537,6.94442462921143,1.1513774394989,1.39484190940857,0.263268738985062,0.616004645824432,0.406526058912277,2.05154967308044
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,10.800838470459,8.88276863098145,12.1501121520996,0.115228086709976,65.8553924560547,0.100308515131474,6.89796876907349,11.8500003814697,0.311425685882568,-0.18704180419445,31.89990234375,0.353599637746811,6.35376358032227,1.08341598510742,1.15990936756134,0.191199347376823,0.501455307006836,0.304854512214661,3.36365842819214
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,18.3132419586182,13.8308811187744,34.9729804992676,0.330760270357132,211.273635864258,0.092889130115509,6.2119197845459,11.9985179901123,0.298962384462357,-0.374137967824936,89.2346038818359,0.346700042486191,11.1371698379517,1.70110094547272,1.28623223304749,0.206111371517181,0.483971178531647,0.455561101436615,5.47497034072876
InChI%3D1S%2FC8H17Br%2Fc1-2-3-4-5-6-7-8-9%2Fh2-8H2%2C1H3,11.5196962356567,8.22695732116699,78.9185180664062,0.0854445546865463,28.7230262756348,0.0417680516839027,5.13166809082031,11.9988441467285,0.06795983761549,-0.196196123957634,13.3401727676392,0.728353381156921,10.2556648254395,0.481155246496201,1.87912368774414,0.417704075574875,0.535824596881866,0.614945650100708,0.782876670360565
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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%29,11.4241466522217,11.9949417114258,15.9969263076782,0.371319651603699,88.5470581054688,0.147529631853104,4.33389711380005,11.8500003814697,0.334276676177979,-0.34783923625946,39.0208282470703,0.467687726020813,5.91992044448853,1.68540012836456,1.25312304496765,0.138645261526108,0.41994309425354,0.365492254495621,3.81882572174072
InChI%3D1S%2FC9H10O%2Fc1-2-5-8-6-3-4-7-9%288%2910%2Fh2-4%2C6-7%2C10H%2C1%2C5H2,7.6175594329834,8.76363086700439,15.9979429244995,0.101668328046799,26.2378387451172,0.0653552785515785,5.16094017028809,11.9962692260742,0.255336195230484,-0.386328637599945,13.6094722747803,0.397260934114456,5.17467308044434,0.497847735881805,1.24223840236664,0.259481400251389,0.522090971469879,0.32288646697998,1.94503879547119
InChI%3D1S%2FC9H10O3%2Fc1-2-12-9-5-7%286-10%293-4-8%289%2911%2Fh3-6%2C11H%2C2H2%2C1H3,8.29926204681396,8.24388885498047,15.998703956604,0.14994041621685,30.0429992675781,0.0546259358525276,3.89814376831055,11.9962692260742,0.268348842859268,-0.38297963142395,16.0706176757812,0.475545853376389,5.61880970001221,0.453354984521866,1.40937733650208,0.257768929004669,0.572870373725891,0.360961109399796,2.2270975112915
InChI%3D1S%2FC6H12O%2Fc7-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2,4.58523368835449,7.02427101135254,15.9949159622192,0.0621933601796627,13.2880172729492,0.135277837514877,4.66637229919434,11.8999996185303,0.371870964765549,-0.392487674951553,6.31266689300537,0.506986796855927,2.25983786582947,0.620280504226685,1.33986568450928,0.11963839828968,0.456283360719681,0.376595497131348,1.70511519908905
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InChI%3D1S%2FC12H10S2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H,11.2064867019653,11.7158098220825,31.973072052002,0.0962471440434456,51.5418090820312,0.0763753429055214,6.90472459793091,11.8500003814697,0.182130143046379,-0.204243555665016,25.8191738128662,0.51258260011673,8.30954837799072,0.855899274349213,1.60588097572327,0.306120902299881,0.614473760128021,0.478824615478516,2.04103899002075
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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,,8.34213638305664,126.904472351074,0.151382058858871,,,5.78997755050659,11.9935512542725,,-0.365228414535522,,,,,,,,,
InChI%3D1S%2FC8H10O2%2Fc9-6-7-10-8-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2,8.36094760894775,7.7158203125,15.9959182739258,0.10528577119112,23.2343578338623,0.0306409895420074,3.8363950252533,11.8500003814697,0.186039984226227,-0.393394947052002,12.2635669708252,0.473873436450958,6.54928922653198,0.256187707185745,1.34818053245544,0.337489277124405,0.598805785179138,0.275501310825348,1.55547058582306
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%2C1-3H3,16.8962745666504,6.55199337005615,30.973762512207,0.454174518585205,237.493530273438,0.195558533072472,3.47019100189209,11.8900003433228,0.265086442232132,-0.379668653011322,85.7283325195312,0.501961469650269,9.11309051513672,3.3042106628418,1.3983998298645,0.154516264796257,0.467835545539856,0.428602904081345,4.47897338867188
InChI%3D1S%2FC9H10O3%2Fc1-11-8-4-3-7%286-10%299%285-8%2912-2%2Fh3-6H%2C1-2H3,9.23891735076904,8.33697605133057,15.998703956604,0.152397245168686,31.6701068878174,0.0158239286392927,3.96684646606445,11.9962692260742,0.329405337572098,-0.377073138952255,19.7396697998047,0.509583473205566,6.04937267303467,0.146195977926254,1.24889481067657,0.241078048944473,0.557483017444611,0.181828379631042,3.04334878921509
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InChI%3D1S%2FC5H8F4O%2Fc1-4%282%2C10%295%288%2C9%293%286%297%2Fh3%2C10H%2C1-2H3,8.59711837768555,7.34725427627563,19.0020351409912,0.33463653922081,38.2509422302246,0.135551363229752,3.15900444984436,11.9975595474243,0.196332797408104,-0.383757025003433,18.355676651001,0.49974736571312,5.74387121200562,1.16535103321075,1.36997663974762,0.251086890697479,0.386380672454834,0.483848631381989,1.68789637088776
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InChI%3D1S%2FC5H10O%2Fc1-2-3-4-5-6%2Fh5H%2C2-4H2%2C1H3,5.2287073135376,6.45900869369507,16.0059242248535,0.206328898668289,11.7247638702393,0.0832732990384102,3.36823153495789,11.9887399673462,0.145718991756439,-0.389461129903793,5.15864944458008,0.588053584098816,4.03137397766113,0.435411691665649,1.61540722846985,0.328255772590637,0.521485030651093,0.505868554115295,0.761922001838684
InChI%3D1S%2FC8H10N2O3%2Fc1-2-13-6-3-4-7%289%298%285-6%2910%2811%2912%2Fh3-5H%2C2%2C9H2%2C1H3,10.9759149551392,8.24479961395264,16.0169334411621,0.179482787847519,42.4884948730469,0.0153316771611571,3.69651508331299,11.9989995956421,0.315093904733658,-0.370866566896439,27.2354679107666,0.235737413167953,7.34919166564941,0.168279185891151,0.973870456218719,0.252180814743042,0.496623277664185,0.241509795188904,3.45844388008118
InChI%3D1S%2FC8H18S2%2Fc1-9-7-5-3-4-6-8-10-2%2Fh3-8H2%2C1-2H3,10.2629079818726,8.79827690124512,31.973424911499,0.0408639125525951,60.5892715454102,0.0994800925254822,6.87114000320435,11.9984741210938,0.34713876247406,-0.22370083630085,29.6689968109131,0.442160040140152,5.67930030822754,1.02095508575439,1.52199256420135,0.165035858750343,0.566355109214783,0.513477385044098,3.56265330314636
InChI%3D1S%2FC3H7Br%2Fc1-2-3-4%2Fh2-3H2%2C1H3,3.16537952423096,7.61915254592896,78.9185180664062,0.0851667299866676,6.39428853988647,0.135697975754738,5.27649784088135,11.9988794326782,0.223898231983185,-0.196245178580284,2.61180949211121,0.66149765253067,2.02712106704712,0.42953559756279,1.67324006557465,0.230302840471268,0.466376572847366,0.545365810394287,0.70872288942337
InChI%3D1S%2FC6H12%2Fc1-2-4-6-5-3-1%2Fh1-6H2,4.15404272079468,6.65383243560791,12.1000823974609,0.0472849607467651,11.5492897033691,0.161037519574165,6.4537501335144,11.8999996185303,0.407934963703156,-0.152797445654869,5.36552762985229,0.506221771240234,1.7905068397522,0.668956756591797,1.42193102836609,0.0732706338167191,0.520222246646881,0.395487010478973,1.69457936286926
InChI%3D1S%2FC3H5N%2Fc1-2-3-4%2Fh2H2%2C1H3,2.69311332702637,5.30650424957275,14.0499544143677,0.289082765579224,5.04410076141357,0.1296476572752,3.42657351493835,11.9530916213989,0.254188567399979,-0.436813324689865,1.95436203479767,0.613296151161194,1.65939879417419,0.349155813455582,1.49842405319214,0.212122827768326,0.440690249204636,0.444437652826309,0.684558570384979
InChI%3D1S%2FC5H4ClNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H,4.56747674942017,8.1064624786377,34.9693794250488,0.227167025208473,9.58977794647217,2.32538543976091e-09,4.9998083114624,11.9985771179199,0.403776496648788,-0.357007056474686,5.02230167388916,0.48409304022789,2.72323679924011,1.06211430761505e-08,1.42629182338715,0.197167620062828,0.547919452190399,0.394279360771179,1.84423971176147
InChI%3D1S%2FC12H17NO%2Fc1-4-13%285-2%2912%2814%2911-8-6-7-10%283%299-11%2Fh6-9H%2C4-5H2%2C1-3H3,11.1425800323486,9.46438503265381,15.9949178695679,0.233666390180588,60.4825019836426,0.099369041621685,5.37380027770996,11.8500003814697,0.212269648909569,-0.274719625711441,29.2530307769775,0.518112182617188,7.67012071609497,1.10722756385803,1.47744691371918,0.266270965337753,0.571446180343628,0.387888580560684,2.36523175239563
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3,4.54573678970337,7.49042320251465,15.9949159622192,0.13202939927578,14.0052080154419,0.235134929418564,4.65437078475952,11.8900003433228,0.273287534713745,-0.378271877765656,6.49230432510376,0.442522644996643,2.23458218574524,1.06886148452759,1.46915674209595,0.118683159351349,0.482839912176132,0.543794214725494,1.24229311943054
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-,15.4021968841553,8.43601417541504,15.9949188232422,0.103810422122478,42.9938774108887,0.00107714126352221,4.72754430770874,11.8500003814697,0.130531385540962,-0.360438227653503,27.1455631256104,0.522840619087219,13.3751363754272,0.016590341925621,1.65007245540619,0.401293605566025,0.615196645259857,0.512035131454468,2.01047015190125
InChI%3D1S%2FC4H6Cl2%2Fc1-4%282-5%293-6%2Fh1-3H2,3.93522095680237,8.38400459289551,34.9701538085938,0.114282250404358,10.1000118255615,0.129453167319298,5.57416152954102,11.9985990524292,0.415559828281403,-0.211416080594063,4.67318964004517,0.505723297595978,1.79047453403473,0.509426832199097,1.4510725736618,0.0912402644753456,0.609404981136322,0.33594423532486,1.63531970977783
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%2C1-4H3,18.5415439605713,11.6161298751831,31.9730739593506,0.275514662265778,181.66291809082,0.0764337778091431,4.69878768920898,11.9962491989136,0.246948778629303,-0.355016529560089,81.7122497558594,0.372179925441742,12.5455312728882,1.41720020771027,1.31193900108337,0.257463067770004,0.456912815570831,0.482846260070801,4.57881164550781
InChI%3D1S%2FC10H16%2Fc1-7-2-9-4-8%281%295-10%283-7%296-9%2Fh7-10H%2C1-6H2,5.24916362762451,8.79258155822754,12.1001720428467,0.0567212253808975,19.7905502319336,0.333327203989029,8.05116748809814,11.8999996185303,0.333333075046539,-0.143577560782433,9.18457221984863,0.490627080202103,1.74975478649139,1.74968898296356,1.41989195346832,4.79977143186261e-06,0.485876739025116,0.443388104438782,1.74971973896027
InChI%3D1S%2FC8H12N2%2Fc9-7-5-3-1-2-4-6-8-10%2Fh1-6H2,9.35406589508057,7.23877906799316,14.0499849319458,0.289342850446701,22.4257373809814,0.0453201606869698,3.74777150154114,11.9530277252197,0.0857758969068527,-0.436738908290863,10.3070888519287,0.718690454959869,8.12778472900391,0.423927783966064,1.74320685863495,0.401677966117859,0.47911924123764,0.545397162437439,0.802353322505951
InChI%3D1S%2FC8H6Cl2O%2Fc1-5%2811%297-3-2-6%289%294-8%287%2910%2Fh2-4H%2C1H3,6.88208627700806,9.71594715118408,34.9701538085938,0.161591619253159,20.9447650909424,0.0591393262147903,4.74146509170532,11.9985437393188,0.247211888432503,-0.293960005044937,10.7571144104004,0.411585748195648,4.77375078201294,0.407001942396164,1.16483151912689,0.27023658156395,0.524013340473175,0.229232430458069,1.70133352279663
InChI%3D1S%2FC6H12O%2Fc1-3-4-5-6%282%297%2Fh3-5H2%2C1-2H3,6.56222820281982,6.85989284515381,16.0059242248535,0.21528472006321,17.2860851287842,0.0924292653799057,4.01674032211304,11.9886989593506,0.13265036046505,-0.385159432888031,8.0389518737793,0.418667316436768,5.08520412445068,0.606541931629181,1.34121882915497,0.331190288066864,0.568897187709808,0.353654265403748,0.870481967926025
InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H,10.4574117660522,8.9124870300293,14.003080368042,0.0982943549752235,39.0207366943359,0.055080521851778,6.57588672637939,11.8500003814697,0.171608358621597,-0.258825659751892,20.2041511535645,0.541363537311554,8.08683300018311,0.575999677181244,1.54928517341614,0.329983353614807,0.5667325258255,0.441189110279083,1.79457926750183
InChI%3D1S%2FC9H12O%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5%2C10H%2C1-3H3,7.88847398757935,8.40092277526855,15.9949169158936,0.114063680171967,27.3654747009277,0.0271303858608007,5.30152559280396,11.8500003814697,0.463125199079514,-0.359882533550262,16.3329772949219,0.505521297454834,4.02110576629639,0.21401734650135,1.28599452972412,0.132308319211006,0.50774884223938,0.272724449634552,3.65335083007812
InChI%3D1S%2FC8H19O2PS3%2Fc1-4-9-11%2812%2C10-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3,15.7482862472534,11.9415817260742,31.9740753173828,0.218535959720612,140.691635131836,0.135156288743019,5.27461910247803,11.8900003433228,0.180788785219193,-0.322622269392014,59.6605682373047,0.518133342266083,10.7726936340332,2.12847995758057,1.32480835914612,0.263041198253632,0.372501730918884,0.434173285961151,2.84711360931396
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%2Fs1,8.6153736114502,9.94519519805908,15.9949178695679,0.0901490598917007,40.0863037109375,0.140263929963112,5.45541620254517,11.8500003814697,0.212150111794472,-0.391886323690414,19.1481380462646,0.473594456911087,5.57919502258301,1.20842611789703,1.33680725097656,0.235689461231232,0.482844978570938,0.38036772608757,1.82775259017944
InChI%3D1S%2FC9H9N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh1-3H%2C7-9H2,6.77903318405151,8.46587944030762,14.0030784606934,0.205989316105843,27.1490268707275,0.18501490354538,4.49287557601929,11.6899995803833,0.216951429843903,-0.414708852767944,12.8917760848999,0.158878460526466,4.05409002304077,1.25422215461731,0.921758592128754,0.1985252648592,0.335553139448166,0.427326947450638,1.47072088718414
InChI%3D1S%2FC4H11NO%2Fc1-2-5-3-4-6%2Fh5-6H%2C2-4H2%2C1H3,5.73095607757568,6.14142084121704,15.9979429244995,0.0815775692462921,14.0368480682373,0.0949151888489723,3.82463073730469,11.9964618682861,0.141670718789101,-0.419851034879684,6.37366962432861,0.480402380228043,4.37509250640869,0.543954789638519,1.53807973861694,0.322560578584671,0.601929783821106,0.455747574567795,0.811908662319183
InChI%3D1S%2FC6H10%2Fc1-3-5-6-4-2%2Fh3-6H%2C1-2H3,5.82550430297852,6.9001350402832,12.1100749969482,0.0451093055307865,15.391282081604,0.0677357539534569,5.24821901321411,11.8900003433228,0.220283910632133,-0.178678497672081,7.46553564071655,0.470850586891174,4.14764451980591,0.394594937562943,1.53385937213898,0.283985257148743,0.601831197738647,0.46117752790451,1.28326487541199
InChI%3D1S%2FC8H18S2%2Fc1-7%282%2C3%299-10-8%284%2C5%296%2Fh1-6H3,9.7291374206543,11.697413444519,31.973072052002,0.099470466375351,43.2828788757324,0.128792196512222,7.7711353302002,11.8900003433228,0.148867398500443,-0.131098002195358,20.7995166778564,0.502169847488403,7.02774906158447,1.2530369758606,1.69896674156189,0.29175528883934,0.682008981704712,0.514787912368774,1.44835138320923
InChI%3D1S%2FC13H8Cl2O2%2Fc14-12-5-4-11%287-13%2812%2915%2917-10-3-1-2-9%286-10%298-16%2Fh1-8H,11.5776033401489,9.71545124053955,34.970157623291,0.150267899036407,59.2572937011719,0.0971596837043762,3.9345874786377,11.9985208511353,0.172745227813721,-0.310205847024918,28.6633224487305,0.342629820108414,8.45275115966797,1.12487626075745,1.22029507160187,0.297571301460266,0.565331935882568,0.31233337521553,1.99997580051422
InChI%3D1S%2FC10H15N%2Fc1-2-3-4-9-5-7-10%2811%298-6-9%2Fh5-8H%2C2-4%2C11H2%2C1H3,11.3304300308228,8.73744487762451,14.0030794143677,0.0996189117431641,39.281494140625,0.0656934678554535,5.21565723419189,11.8500003814697,0.108542621135712,-0.302477806806564,19.3862571716309,0.392739683389664,9.35626029968262,0.744335234165192,1.36940538883209,0.369322925806046,0.552344799041748,0.424320906400681,1.22983455657959
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%2C1-2H3,13.3066635131836,9.69822788238525,15.9979286193848,0.275930345058441,86.2268600463867,0.088854119181633,4.80378913879395,11.8900003433228,0.219060137867928,-0.316265761852264,41.1800918579102,0.478249788284302,9.20935249328613,1.18235182762146,1.34492754936218,0.26906430721283,0.472088187932968,0.394589573144913,2.91495943069458
InChI%3D1S%2FC14H26O4%2Fc1-3-5-11-17-13%2815%299-7-8-10-14%2816%2918-12-6-4-2%2Fh3-12H2%2C1-2H3,20.2522029876709,7.43921947479248,15.9979286193848,0.262564897537231,277.210479736328,0.101032570004463,4.30170965194702,11.8900003433228,0.28767254948616,-0.316609382629395,109.378326416016,0.497536808252335,12.3800668716431,2.04613208770752,1.31559610366821,0.208471149206161,0.486000955104828,0.33205834031105,5.82600259780884
InChI%3D1S%2FC8H14O%2Fc1-7%282%295-4-6-8%283%299%2Fh5H%2C4%2C6H2%2C1-3H3,8.9644603729248,7.62707757949829,16.0059261322021,0.215560659766197,27.8213157653809,0.065698467195034,4.11803436279297,11.9886302947998,0.136720255017281,-0.385107696056366,13.6958341598511,0.473914742469788,7.14988613128662,0.588951349258423,1.41661322116852,0.348185956478119,0.584057807922363,0.358640640974045,1.22562325000763
InChI%3D1S%2FC7H15Br%2Fc1-2-3-4-5-6-7-8%2Fh2-7H2%2C1H3,9.33114242553711,8.20734214782715,78.9185180664062,0.0854305177927017,22.836612701416,0.0510567501187325,5.13634014129639,11.9988470077515,0.0834718942642212,-0.196194723248482,10.5087213516235,0.721358358860016,8.07583618164062,0.476417779922485,1.85962724685669,0.39910352230072,0.529906511306763,0.608362376689911,0.77888810634613
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%2C1H3,23.2209243774414,8.81228733062744,15.9949188232422,0.10671754181385,83.1261367797852,0.0378802120685577,4.75106000900269,11.8500003814697,0.0432224161922932,-0.360442668199539,41.067554473877,0.398329168558121,21.337646484375,0.879613518714905,1.40357208251953,0.439173012971878,0.53829550743103,0.466947346925735,1.00366449356079
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-4-2-3-5-8%287%2911%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,7.52568340301514,8.49813175201416,15.9982604980469,0.137542963027954,26.3525638580322,0.0799970477819443,4.71544599533081,11.9962921142578,0.23629891872406,-0.383398681879044,13.3182764053345,0.382616519927979,5.14533996582031,0.602032423019409,1.36245012283325,0.262778043746948,0.534863531589508,0.444970041513443,1.77831077575684
InChI%3D1S%2FC5H10O%2Fc1-5%282%293-4-6%2Fh4-5H%2C3H2%2C1-2H3,4.02589559555054,7.0877537727356,16.0059242248535,0.206546753644943,11.1662645339966,0.200511500239372,3.44810581207275,11.9887399673462,0.330983489751816,-0.389415293931961,5.11153078079224,0.468724846839905,1.88615226745605,0.807238399982452,1.43758225440979,0.101378753781319,0.452888637781143,0.515968799591064,1.33250498771667
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-,24.0157203674316,9.28170108795166,15.9969291687012,0.226499751210213,135.407196044922,0.0436737462878227,5.14689016342163,11.8999996185303,0.084767073392868,-0.316517621278763,66.6993179321289,0.467972576618195,20.9311218261719,1.04885649681091,1.50450313091278,0.403669387102127,0.619530975818634,0.416999608278275,2.03574228286743
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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%2C14H2,19.1619548797607,8.55925273895264,15.9949188232422,0.182213023304939,125.682472229004,0.0512684807181358,5.64321613311768,11.8500003814697,0.153088137507439,-0.370015859603882,62.5835647583008,0.301040470600128,15.2460832595825,0.982404291629791,1.25102758407593,0.346732556819916,0.649874210357666,0.300112962722778,2.93346786499023
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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%29,35.4763374328613,10.9956121444702,31.972677230835,0.303534626960754,566.424255371094,0.0443960092961788,4.48403167724609,11.9984836578369,0.193303301930428,-0.32416495680809,238.851806640625,0.486484915018082,27.0436363220215,1.57500767707825,1.01801335811615,0.321725517511368,0.0476460009813309,0.483882397413254,6.85769319534302
InChI%3D1S%2FC8H16O%2Fc1-3-4-5-6-7-8%282%299%2Fh3-7H2%2C1-2H3,10.3838758468628,7.2509765625,16.0059261322021,0.2152980864048,29.0004825592041,0.0571908317506313,4.07619714736938,11.9886302947998,0.0870524272322655,-0.385161161422729,13.8464117050171,0.455439746379852,8.88607120513916,0.593862473964691,1.38585233688354,0.391817539930344,0.568393468856812,0.362019121646881,0.903941631317139
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,3.15963912010193,5.7985143661499,15.9974174499512,0.0694901272654533,7.09833288192749,0.169791147112846,4.99268484115601,11.9969358444214,0.329772859811783,-0.402844548225403,3.05481886863708,0.684482753276825,1.58119714260101,0.536478757858276,1.71201384067535,0.125327005982399,0.645438373088837,0.382092654705048,1.04196321964264
InChI%3D1S%2FC10H22S2%2Fc1-3-7-11-9-5-6-10-12-8-4-2%2Fh3-10H2%2C1-2H3,13.5433120727539,12.0665073394775,78.9193344116211,0.303270369768143,121.602165222168,0.110489957034588,5.514732837677,11.8500003814697,0.410332053899765,-0.371004849672318,54.0916748046875,0.383672893047333,6.48965692520142,1.49639999866486,1.14945185184479,0.10938349366188,0.400612562894821,0.365166425704956,5.55725479125977
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InChI%3D1S%2FC3HBr3N2%2Fc4-1-2%285%298-3%286%297-1%2Fh%28H%2C7%2C8%29,4.05993747711182,11.3913259506226,78.9204025268555,0.168904781341553,11.1758432388306,0.184086591005325,7.54474353790283,11.9988794326782,0.334989160299301,-0.268017917871475,5.13123846054077,0.58401620388031,1.95252239704132,0.747380077838898,1.44308149814606,0.11069317907095,0.465057790279388,0.394007474184036,1.36003506183624
InChI%3D1S%2FC12H10O3%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8%2C13-14H,11.9604206085205,8.36650657653809,15.9969234466553,0.121233187615871,48.422607421875,0.0817667841911316,4.72214365005493,11.8500003814697,0.112875536084175,-0.361396819353104,23.7445945739746,0.500940084457397,9.63241672515869,0.977965116500854,1.52870464324951,0.354018270969391,0.562476873397827,0.465287685394287,1.35003888607025
InChI%3D1S%2FC7H6O2%2Fc8-5-6-3-1-2-4-7%286%299%2Fh1-5%2C9H,5.4711651802063,7.88513231277466,15.9982595443726,0.152358114719391,12.5631923675537,3.92527621517758e-10,3.85390305519104,11.996319770813,0.385653614997864,-0.385824024677277,7.09202718734741,0.551766753196716,3.36119079589844,2.1475836664564e-09,1.74245190620422,0.210759788751602,0.554026186466217,0.63665896654129,2.10997462272644
InChI%3D1S%2FC7H5BrO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H,5.90593481063843,9.76681709289551,78.9183349609375,0.152427524328232,14.4856071472168,2.52776516163067e-07,4.04846572875977,11.996319770813,0.436563789844513,-0.385817587375641,8.5796594619751,0.531905949115753,3.3276162147522,1.49288166539918e-06,1.19622921943665,0.172576978802681,0.516117632389069,0.148205652832985,2.57831716537476
InChI%3D1S%2FC9H16O%2Fc1-5-9%284%2C10%297-6-8%282%293%2Fh1%2C8%2C10H%2C6-7H2%2C2-4H3,7.9743595123291,8.48325824737549,15.9949169158936,0.122740544378757,33.6312217712402,0.150223508477211,4.82799386978149,11.8900003433228,0.190277457237244,-0.377409696578979,16.0975456237793,0.45148691534996,5.25908231735229,1.19793629646301,1.6088627576828,0.244624271988869,0.625619649887085,0.531756162643433,1.51734089851379
InChI%3D1S%2FC7H8O%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5%2C8H%2C1H3,5.94290113449097,7.55969715118408,15.9949159622192,0.106468982994556,14.1551847457886,0.0165020618587732,4.67277765274048,11.8500003814697,0.279992640018463,-0.360418170690536,7.53002738952637,0.452248424291611,4.18086242675781,0.0980701297521591,1.10701167583466,0.27762895822525,0.529763281345367,0.125000029802322,1.66396868228912
InChI%3D1S%2FC8H8O%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-6H%2C1H3,5.96288728713989,8.27864265441895,16.0059261322021,0.233144879341125,15.7340612411499,0.0154940942302346,3.93169951438904,11.9886302947998,0.423634052276611,-0.380506157875061,8.99064159393311,0.521577119827271,3.34441566467285,0.0923895388841629,1.21270537376404,0.170653894543648,0.5734783411026,0.117649868130684,2.52608227729797
InChI%3D1S%2FC8H7ClO2%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5H%2C1H3,8.58643245697021,8.45610332489014,34.9688529968262,0.292985379695892,21.6772441864014,0.0103854732587934,4.4178352355957,11.8500003814697,0.192732259631157,-0.315172463655472,12.0810642242432,0.460465759038925,6.84237575531006,0.0891741663217545,1.1210994720459,0.347661703824997,0.549471497535706,0.111162222921848,1.65488255023956
InChI%3D1S%2FC9H14O3%2Fc1-7%282%299%2810%2912-6-8-4-3-5-11-8%2Fh8H%2C1%2C3-6H2%2C2H3,8.27856254577637,7.58836269378662,15.9983024597168,0.288408726453781,31.6571292877197,0.0923837721347809,4.45818185806274,11.9967565536499,0.20852717757225,-0.39753195643425,15.7374696731567,0.482557147741318,5.78745269775391,0.764804899692535,1.43370187282562,0.274316787719727,0.556522488594055,0.394622206687927,1.72630524635315
InChI%3D1S%2FC7H4F3NO3%2Fc8-7%289%2C10%295-3-4%2812%291-2-6%285%2911%2813%2914%2Fh1-3%2C12H,10.9186000823975,8.03352165222168,19.0012550354004,0.419191390275955,54.1050148010254,0.0665667802095413,3.58918738365173,11.9974966049194,0.256893634796143,-0.385704457759857,28.1271095275879,0.510653495788574,7.38686513900757,0.726816058158875,1.53514647483826,0.257404685020447,0.474941700696945,0.54955118894577,2.80491876602173
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,,8.03563117980957,22.9897708892822,0.270801365375519,,,-1.68564974956098e-06,11.996319770813,,-0.34377533197403,,,,,,,,,
InChI%3D1S%2FC3H6Br2O%2Fc4-1-3%285%292-6%2Fh3%2C6H%2C1-2H2,3.77881097793579,10.0317525863647,78.91943359375,0.102614395320415,9.27163505554199,0.178974613547325,4.8059983253479,11.9988794326782,0.247091338038445,-0.394006848335266,4.12327814102173,0.34953173995018,2.16878843307495,0.676311254501343,1.21373534202576,0.180450528860092,0.566721975803375,0.297481626272202,0.933711469173431
InChI%3D1S%2FC2HCl5%2Fc3-1%284%292%285%2C6%297%2Fh1H,3.2902295589447,11.6964206695557,34.9729766845703,0.334519654512405,7.96214389801025,0.240021347999573,7.06024980545044,11.998706817627,0.30801385641098,-0.139938309788704,3.48176002502441,0.499998867511749,1.48706793785095,0.789725363254547,1.64278888702393,0.0889736041426659,0.790293872356415,0.352496117353439,1.01343631744385
InChI%3D1S%2FC8H10O%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6%2C9H%2C2H2%2C1H3,13.8555698394775,8.18844413757324,15.9949169158936,0.106609396636486,60.9592590332031,0.0288452822715044,4.712073802948,11.8500003814697,0.201852381229401,-0.360421270132065,35.1891059875488,0.556223630905151,10.6591215133667,0.399667829275131,0.972318232059479,0.326976746320724,0.133478567004204,0.282616049051285,2.79677987098694
InChI%3D1S%2FC10H8O%2Fc11-10-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7%2C11H,7.07842779159546,9.11659240722656,15.9949169158936,0.133487194776535,18.9789562225342,2.72760303232644e-09,5.24977684020996,11.8500003814697,0.388267576694489,-0.359797745943069,11.9005279541016,0.521194040775299,4.33010387420654,1.93071407750267e-08,1.45696592330933,0.208799302577972,0.521512567996979,0.414259314537048,2.74832391738892
InChI%3D1S%2FC4H5N%2Fc1-2-3-4-5%2Fh2H%2C1%2C3H2,3.63189768791199,6.10400676727295,14.049955368042,0.292533338069916,7.27809429168701,0.102742671966553,3.63657259941101,11.9530773162842,0.189596384763718,-0.435488194227219,2.98579716682434,0.458726346492767,2.57015204429626,0.373150855302811,1.29272627830505,0.280745714902878,0.504939138889313,0.329060792922974,0.6885946393013
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InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,20.5267314910889,8.25090026855469,16.0169982910156,0.175847336649895,251.658996582031,0.125177249312401,3.59882807731628,11.9989995956421,0.176014885306358,-0.275286048650742,97.966682434082,0.494121700525284,14.3442411422729,2.5694797039032,1.63133406639099,0.274105906486511,0.599023282527924,0.538189113140106,3.61301040649414
InChI%3D1S%2FC7H6BrNO%2Fc8-6-3-1-2-5%284-6%297%289%2910%2Fh1-4H%2C%28H2%2C9%2C10%29,6.18657827377319,9.87745189666748,78.9185180664062,0.164572313427925,18.1277141571045,0.0495734326541424,5.04089879989624,11.9988470077515,0.323162764310837,-0.344701200723648,9.56171035766602,0.503369390964508,3.88061666488647,0.306689947843552,1.36569368839264,0.220447853207588,0.579666197299957,0.282658159732819,1.99927175045013
InChI%3D1S%2FC8H6ClNO4%2Fc1-14-8%2811%296-3-2-5%289%294-7%286%2910%2812%2913%2Fh2-4H%2C1H3,8.82859134674072,9.00751495361328,34.9688529968262,0.271687477827072,30.6288375854492,0.035566620528698,3.8413462638855,11.9989995956421,0.268245965242386,-0.318470239639282,17.2296142578125,0.397156447172165,6.14635419845581,0.314003169536591,1.11948752403259,0.272140562534332,0.505254089832306,0.2170769572258,2.36823415756226
InChI%3D1S%2FC10H24N4%2Fc11-3-1-5-13-7-9-14%2810-8-13%296-2-4-12%2Fh1-12H2,14.0622224807739,8.78088188171387,14.0060939788818,0.111880831420422,65.8840255737305,0.0616624616086483,4.84887409210205,11.8999996185303,0.136375442147255,-0.330937415361404,33.0687141418457,0.408897042274475,11.2773694992065,0.867111265659332,1.38950824737549,0.351471573114395,0.550044894218445,0.430566281080246,1.91774189472198
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InChI%3D1S%2FC6H4Cl2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H,5.10825824737549,8.92815113067627,34.9701538085938,0.14827561378479,11.4539880752563,1.10625797411501e-09,5.20543336868286,11.9985628128052,0.417443960905075,-0.358385443687439,6.34572982788086,0.450268179178238,2.97584652900696,5.6510511825536e-09,1.15381073951721,0.186917021870613,0.454837411642075,0.248705103993416,2.13241171836853
InChI%3D1S%2FC7H12O%2Fc8-7-4-5-1-2-6%287%293-5%2Fh5-8H%2C1-4H2%2Ft5-%2C6%2B%2C7%2B%2Fm0%2Fs1,4.56546354293823,7.06577014923096,15.9949169158936,0.0973048061132431,12.9550380706787,0.12643626332283,3.21393537521362,11.8999996185303,0.361877143383026,-0.162982970476151,6.16169691085815,0.509956359863281,2.33608651161194,0.577240109443665,1.24531352519989,0.133764952421188,0.399751752614975,0.335605412721634,1.65213680267334
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InChI%3D1S%2FC5H13N%2Fc1-4%282%295%283%296%2Fh4-5H%2C6H2%2C1-3H3,4.73220634460449,7.55826616287231,14.0090990066528,0.0370955057442188,14.3654861450195,0.170902192592621,5.38893938064575,11.993597984314,0.303383022546768,-0.360699981451035,6.74472761154175,0.56454986333847,2.48779082298279,0.808744430541992,1.63434028625488,0.144286081194878,0.534484446048737,0.535305976867676,1.435671210289
InChI%3D1S%2FC16H22O4%2Fc1-3-5-11-19-15%2817%2913-9-7-8-10-14%2813%2916%2818%2920-12-6-4-2%2Fh7-10H%2C3-6%2C11-12H2%2C1-2H3,20.5504989624023,9.60919380187988,15.9979305267334,0.295126080513,201.887054443359,0.0456791445612907,4.91119718551636,11.8900003433228,0.307770967483521,-0.312769204378128,102.447883605957,0.426910907030106,13.286922454834,0.938729166984558,1.42633402347565,0.234912425279617,0.561453282833099,0.437969774007797,6.3248462677002
InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3,6.81743383407593,8.75838088989258,12.1500968933105,0.0902036130428314,24.440357208252,0.133844643831253,6.0753436088562,11.8500003814697,0.209667846560478,-0.209916934370995,11.7854871749878,0.409288108348846,4.47556018829346,0.91247695684433,1.25754880905151,0.242365628480911,0.555425465106964,0.292835235595703,1.4293966293335
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,5.86912631988525,11.1922044754028,34.9729766845703,0.171827271580696,14.3947553634644,8.14897749279453e-09,6.18343162536621,11.9985628128052,0.450024336576462,-0.356198877096176,8.5256290435791,0.430033683776855,3.22787666320801,4.78273811665986e-08,1.15893375873566,0.162481740117073,0.489688515663147,0.23921149969101,2.64124965667725
InChI%3D1S%2FC5H12ClN.ClH%2Fc1-7%282%295-3-4-6%3B%2Fh3-5H2%2C1-2H3%3B1H,,7.33478355407715,34.9698524475098,0.0503652952611446,,,2.72999811172485,11.993597984314,,-0.345290243625641,,,,,,,,,
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InChI%3D1S%2FC5H4BrNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H,4.64051389694214,9.26346015930176,78.9185180664062,0.212156698107719,9.86373329162598,6.77949119065602e-09,5.28905868530273,11.9988565444946,0.413702219724655,-0.357260197401047,5.22321891784668,0.480135053396225,2.72072291374207,3.14603205708863e-08,1.55638098716736,0.189723327755928,0.562581419944763,0.513664484024048,1.91979086399078
InChI%3D1S%2FC4H8O%2Fc1-2-3-4-5%2Fh4H%2C2-3H2%2C1H3,3.92253184318542,5.90476608276367,16.0059242248535,0.206313714385033,8.11723518371582,0.104299515485764,3.28822922706604,11.988787651062,0.176936611533165,-0.389461845159531,3.39415836334229,0.550533890724182,2.81937408447266,0.409118175506592,1.48138511180878,0.289072901010513,0.508134365081787,0.422716796398163,0.694039523601532
InChI%3D1S%2FC7H4ClNS2%2Fc8-4-1-2-6-5%283-4%299-7%2810%2911-6%2Fh1-3H%2C%28H%2C9%2C10%29,6.86868047714233,11.7550735473633,34.9688529968262,0.147961094975471,21.3704814910889,0.0631088688969612,6.35869979858398,11.9985752105713,0.253368616104126,-0.26657110452652,10.9600667953491,0.447206914424896,4.69489765167236,0.433474659919739,1.19903349876404,0.262641906738281,0.563473582267761,0.188353016972542,1.74030804634094
InChI%3D1S%2FC6H3Cl4N%2Fc7-2-1-3%288%295%2810%296%2811%294%282%299%2Fh1H%2C11H2,5.92407035827637,10.4596910476685,34.9720077514648,0.159333467483521,14.6193904876709,0.00130502402316779,6.87380933761597,11.9985628128052,0.430252999067307,-0.299023121595383,8.62896347045898,0.427666634321213,3.36749029159546,0.00773105351254344,1.26407158374786,0.176331490278244,0.571370482444763,0.265034466981888,2.54884886741638
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,,9.74395084381104,22.9897708892822,0.242969110608101,,,-4.14888472732855e-06,11.8500003814697,,-0.412000238895416,,,,,,,,,
InChI%3D1S%2FC10H17N%2Fc11-10-4-7-1-8%285-10%293-9%282-7%296-10%2Fh7-9H%2C1-6%2C11H2,5.75718545913696,9.86850833892822,14.0030794143677,0.0647006034851074,23.2890110015869,0.283150851726532,6.59174537658691,11.8999996185303,0.291084408760071,-0.324847966432571,10.8354902267456,0.49633777141571,2.45120668411255,1.63015198707581,1.43044400215149,0.0693235546350479,0.443383276462555,0.490722984075546,1.67582702636719
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%2Fs1,14.3771238327026,12.8566961288452,15.9982643127441,0.284860789775848,100.203956604004,0.103092461824417,4.9142894744873,11.996150970459,0.181843534111977,-0.350781917572021,45.989917755127,0.564749240875244,10.2805633544922,1.48217296600342,1.47206091880798,0.286298006772995,0.508669257164001,0.39864245057106,2.61438703536987
InChI%3D1S%2FC15H12O%2Fc1-2-15%2816%2C13-9-5-3-6-10-13%2914-11-7-4-8-12-14%2Fh1%2C3-12%2C16H,10.703911781311,11.0231313705444,15.9949188232422,0.176811739802361,69.104866027832,0.150340229272842,5.46296167373657,11.8500003814697,0.240215510129929,-0.369098007678986,31.408784866333,0.260917961597443,6.5234375,1.60922861099243,1.20155489444733,0.207083195447922,0.503585994243622,0.437050968408585,2.5712456703186
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InChI%3D1S%2FC12H21N2O3PS%2Fc1-6-15-18%2819%2C16-7-2%2917-11-8-10%285%2913-12%2814-11%299%283%294%2Fh8-9H%2C6-7H2%2C1-5H3,16.7143115997314,9.67841529846191,31.9720726013184,0.299359709024429,148.32194519043,0.0573969073593616,4.99172258377075,11.8900003433228,0.374835550785065,-0.309417396783829,74.5695037841797,0.575047731399536,9.48984336853027,0.959349751472473,1.54048383235931,0.175825655460358,0.692153334617615,0.273282736539841,6.26511764526367
InChI%3D1S%2FC8H10%2Fc1-7-3-5-8%282%296-4-7%2Fh3-6H%2C1-2H3,6.88852834701538,7.70177841186523,12.1500825881958,0.126974195241928,17.3677883148193,0.0253067258745432,5.84578132629395,11.8500003814697,0.221913754940033,-0.173220038414001,9.09738826751709,0.433581411838531,5.18554306030273,0.174326092004776,1.22240686416626,0.314584642648697,0.566603302955627,0.222222149372101,1.52865922451019
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InChI%3D1S%2FC8H19N%2Fc1-3-4-5-6-7-8%282%299%2Fh8H%2C3-7%2C9H2%2C1-2H3,26.6106986999512,7.4797248840332,14.0091009140015,0.0350184552371502,300.959503173828,0.0334172062575817,5.12437438964844,11.9934787750244,0.269753187894821,-0.361126929521561,155.981399536133,0.480430543422699,18.5431213378906,0.889255166053772,1.02820289134979,0.27262219786644,0.10377211868763,0.44400018453598,7.17832088470459
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InChI%3D1S%2FC10H18O2%2Fc1-2-3-4-5-6-9-7-8-10%2811%2912-9%2Fh9H%2C2-8H2%2C1H3,11.8116626739502,7.96021747589111,15.9977865219116,0.278770238161087,44.9228973388672,0.0696001425385475,3.93445873260498,11.9967393875122,0.11634636670351,-0.329210251569748,22.248254776001,0.502043604850769,9.61532497406006,0.822093367576599,1.48023390769958,0.360540121793747,0.582089424133301,0.396100848913193,1.37424397468567
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InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-3-6%288%295-7%2Fh2-5%2C8H%2C1H3,6.69313192367554,7.46026229858398,15.9959182739258,0.191143959760666,17.3545036315918,0.0141127277165651,4.68997287750244,11.8500003814697,0.297346323728561,-0.360407471656799,9.79502582550049,0.452451258897781,4.60849523544312,0.0944583415985107,1.12898004055023,0.26640573143959,0.55888158082962,0.117647126317024,1.99017798900604
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InChI%3D1S%2FC5H6ClN3%2Fc1-3-2-4%286%299-5%287%298-3%2Fh2H%2C1H3%2C%28H2%2C7%2C8%2C9%29,5.29885578155518,8.90113162994385,34.9688529968262,0.170012503862381,17.5238704681396,0.13333423435688,5.45105743408203,11.9945917129517,0.41450247168541,-0.28402578830719,8.50700569152832,0.442277818918228,2.39594793319702,0.706518888473511,1.34520530700684,0.0891224592924118,0.507038116455078,0.395889401435852,2.19638872146606
InChI%3D1S%2FC10H15NO2%2Fc12-8-6-11%287-9-13%2910-4-2-1-3-5-10%2Fh1-5%2C12-13H%2C6-9H2,8.34087181091309,9.41495513916016,15.9959211349487,0.0983157902956009,37.019847869873,0.0939438715577126,4.24075794219971,11.8500003814697,0.305273294448853,-0.395395427942276,18.6810684204102,0.550265967845917,5.01105213165283,0.783573746681213,1.44713497161865,0.200587123632431,0.483737289905548,0.413131713867188,2.54624533653259
InChI%3D1S%2FC8H12O%2Fc1-2-8%289%296-4-3-5-7-8%2Fh1%2C9H%2C3-7H2,5.80654811859131,8.66194915771484,15.9949169158936,0.177967697381973,19.8062133789062,0.145993456244469,4.87030792236328,11.8999996185303,0.268614023923874,-0.377120852470398,9.50535106658936,0.465177685022354,3.39911007881165,0.847718060016632,1.16433441638947,0.189044401049614,0.347331821918488,0.351824939250946,1.55972027778625
InChI%3D1S%2FC11H16N2%2Fc1-2-4-11%285-3-1%2910-13-8-6-12-7-9-13%2Fh1-5%2C12H%2C6-10H2,9.36131858825684,9.02088451385498,14.0040855407715,0.110436178743839,43.2260780334473,0.109200149774551,6.50530004501343,11.8999996185303,0.210041239857674,-0.31364431977272,21.0552654266357,0.570669412612915,6.37279844284058,1.02225744724274,1.49864912033081,0.26056894659996,0.556609094142914,0.371370613574982,1.9662629365921
InChI%3D1S%2FC6H4N2O5%2Fc9-6-4%287%2810%2911%292-1-3-5%286%298%2812%2913%2Fh1-3%2C9H,6.48678874969482,7.85844564437866,15.9999933242798,0.192689448595047,18.4233951568604,0.0214241556823254,3.61834383010864,11.9963550567627,0.395758837461472,-0.401944428682327,10.5877799987793,0.508472859859467,3.78061079978943,0.138973981142044,1.14532017707825,0.187112748622894,0.51879757642746,0.118049755692482,2.56720399856567
InChI%3D1S%2FC7H8ClN%2Fc1-5-2-3-7%289%296%288%294-5%2Fh2-4H%2C9H2%2C1H3,6.72246837615967,9.06316089630127,34.9693794250488,0.136209458112717,16.8373737335205,0.0150094842538238,5.97476625442505,11.9985513687134,0.262991517782211,-0.300834268331528,9.24908065795898,0.417657196521759,4.85361528396606,0.100900784134865,1.10554611682892,0.291499257087708,0.55320018529892,0.134688779711723,1.76795208454132
InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh2-3H%2C1H2,2.81558537483215,5.30750370025635,16.0059242248535,0.226088061928749,4.42998266220093,5.69040309983393e-07,3.21398043632507,11.9888439178467,0.284695386886597,-0.382195264101028,1.61439478397369,0.426555931568146,2.01399970054626,1.6021815554268e-06,1.38773572444916,0.286478042602539,0.543966233730316,0.417213588953018,0.801584184169769
InChI%3D1S%2FC6H5NO3%2Fc8-6-3-1-5%282-4-6%297%289%2910%2Fh1-4%2C8H,19.4726104736328,12.0092868804932,31.9720726013184,0.280920445919037,112.722999572754,0.0619004443287849,4.54810667037964,11.8500003814697,0.101862832903862,-0.325787425041199,54.3179817199707,0.468914389610291,16.283712387085,1.20536315441132,1.43117785453796,0.377177536487579,0.520873308181763,0.441390186548233,1.9835352897644
InChI%3D1S%2FC15H10O2%2Fc16-13-10-15%2811-6-2-1-3-7-11%2917-14-9-5-4-8-12%2813%2914%2Fh1-10H,10.653413772583,9.63842105865479,15.995922088623,0.168197527527809,62.1723556518555,0.116791993379593,5.13098621368408,11.8500003814697,0.244850888848305,-0.336726784706116,29.4467811584473,0.496589332818985,6.80068254470825,1.24423336982727,1.47221267223358,0.228767842054367,0.53051769733429,0.445105671882629,2.60849785804749
InChI%3D1S%2FC10H18O%2Fc1-9%282%298-4-6-10%283%2C11-9%297-5-8%2Fh8H%2C4-7H2%2C1-3H3,6.55888366699219,9.40177440643311,15.9974184036255,0.0888477861881256,29.4204769134521,0.25013330578804,6.6308126449585,11.9967393875122,0.273184508085251,-0.390225172042847,13.6709423065186,0.554132699966431,3.12650299072266,1.64059507846832,1.56169939041138,0.107511647045612,0.533982455730438,0.473584294319153,1.79178535938263
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,5.24591398239136,8.33563137054443,34.9688529968262,0.111129604279995,11.6173505783081,0.00166071439161897,5.52943229675293,11.8500003814697,0.353258341550827,-0.302465289831161,6.31680250167847,0.495234131813049,3.38403940200806,0.00871196575462818,1.25117433071136,0.23381070792675,0.476970613002777,0.278969526290894,1.85316288471222
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,,8.71753120422363,31.9728298187256,0.412816911935806,,,5.05649995803833,11.9989995956421,,-0.328851848840714,,,,,,,,,
InChI%3D1S%2FC7H12O%2Fc1-3-5-6-7%288%294-2%2Fh2%2C7-8H%2C3%2C5-6H2%2C1H3,7.42826509475708,7.11952829360962,15.9949159622192,0.214918076992035,22.777645111084,0.0710037499666214,4.40588998794556,11.6899995803833,0.187324389815331,-0.406575053930283,11.3059520721436,0.334602862596512,5.5093355178833,0.527434706687927,1.21380364894867,0.306253880262375,0.580712914466858,0.298487901687622,1.39149522781372
InChI%3D1S%2FC6H7N%2Fc1-6-4-2-3-5-7-6%2Fh2-5H%2C1H3,5.23138189315796,7.16738319396973,14.0142469406128,0.0914115831255913,11.8653392791748,0.0213959403336048,5.60143089294434,11.9885540008545,0.288692891597748,-0.324785083532333,6.02384519577026,0.448103368282318,3.60918879508972,0.111930333077908,1.18548321723938,0.267433375120163,0.594522893428802,0.142856955528259,1.51026272773743
InChI%3D1S%2FC6H10O%2Fc1-3-5-6%287%294-2%2Fh3-4%2C6-7H%2C1-2%2C5H2,5.75639724731445,7.42250776290894,15.9949159622192,0.129263490438461,15.8955135345459,0.116513215005398,4.86549234390259,11.789999961853,0.170443803071976,-0.388132452964783,7.43811750411987,0.534476459026337,4.10455846786499,0.670696377754211,1.28104996681213,0.284782230854034,0.466972857713699,0.279600620269775,0.981142282485962
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%2Fs1,8.15064334869385,9.46119403839111,15.9979438781738,0.0834553688764572,33.817928314209,0.122947536408901,5.44846248626709,11.9962491989136,0.207906678318977,-0.417630910873413,16.4057140350342,0.380860984325409,5.45396900177002,1.00210154056549,1.34425663948059,0.251859337091446,0.507493555545807,0.455902129411697,1.69457316398621
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%29,10.5371646881104,9.3331823348999,15.995922088623,0.175105601549149,66.181266784668,0.148864164948463,5.30781507492065,11.8500003814697,0.237609714269638,-0.359741449356079,30.2543334960938,0.447572410106659,6.46482610702515,1.56860613822937,1.57649803161621,0.210144594311714,0.608330607414246,0.520595073699951,2.50373268127441
InChI%3D1S%2FC12H9NO%2Fc14-12%2810-4-2-1-3-5-10%2911-6-8-13-9-7-11%2Fh1-9H,9.79355430603027,9.21914958953857,15.9949178695679,0.193027079105377,41.9443702697754,0.101074397563934,5.3643364906311,11.8500003814697,0.167999356985092,-0.287730872631073,20.4922981262207,0.509875118732452,7.15836572647095,0.989877581596375,1.45403230190277,0.29819467663765,0.585717678070068,0.358439534902573,1.64531075954437
InChI%3D1S%2FC7H7NO2%2Fc1-6-3-2-4-7%285-6%298%289%2910%2Fh2-5H%2C1H3,6.47531223297119,7.77664184570312,16.0168704986572,0.175356715917587,17.1740741729736,0.0144866071641445,3.54915952682495,11.9989995956421,0.34247550368309,-0.275410950183868,9.83256912231445,0.475796699523926,4.1638708114624,0.093805305659771,1.1408988237381,0.232278406620026,0.547255277633667,0.117846816778183,2.21763586997986
InChI%3D1S%2FC4H5N%2Fc1-2-4-5-3-1%2Fh1-5H,3.44682574272156,6.10835838317871,14.0080556869507,0.025347888469696,8.20038604736328,0.152264550328255,5.78760480880737,11.9946517944336,0.380063027143478,-0.345280349254608,3.64526796340942,0.655727922916412,1.61198532581329,0.524829387664795,1.79084038734436,0.10075431317091,0.632606089115143,0.50250631570816,1.31001102924347
InChI%3D1S%2FC7H5ClN2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-3H%2C10H2,5.90900564193726,8.71443462371826,34.9688529968262,0.154104679822922,14.461443901062,0.00113683193922043,4.39909029006958,11.9935121536255,0.414264172315598,-0.334467887878418,8.49563503265381,0.562042534351349,3.45439863204956,0.00671754637733102,1.31486618518829,0.188449248671532,0.524263858795166,0.228559851646423,2.44788932800293
InChI%3D1S%2FC6H12O2%2Fc1-5%287%298-6%282%2C3%294%2Fh1-4H3,6.08533763885498,7.88464641571045,15.9959173202515,0.258849501609802,21.4867000579834,0.186792254447937,3.87893414497375,11.8900003433228,0.202223360538483,-0.310055136680603,10.200511932373,0.470056146383286,3.71804642677307,1.13669395446777,1.35512816905975,0.208238288760185,0.479855179786682,0.405216902494431,1.23059749603271
InChI%3D1S%2FC12H8O%2Fc1-3-7-11-9%285-1%2910-6-2-4-8-12%2810%2913-11%2Fh1-8H,22.7840442657471,9.72765064239502,15.9979333877563,0.295319974422455,203.452392578125,0.0619939714670181,4.92710399627686,11.8500003814697,0.153085246682167,-0.312027782201767,92.5632476806641,0.3404740691185,17.8836708068848,1.41247344017029,1.25838232040405,0.338690578937531,0.512483894824982,0.405424416065216,3.48790097236633
InChI%3D1S%2FC13H20O%2Fc1-10-6-5-9-13%283%2C4%2912%2810%298-7-11%282%2914%2Fh7-8H%2C5-6%2C9H2%2C1-4H3,10.6546659469604,11.0623216629028,15.9949178695679,0.152430862188339,59.8112030029297,0.0959853082895279,4.43002700805664,11.8900003433228,0.269985377788544,-0.294703304767609,29.2830600738525,0.455859065055847,6.75537014007568,1.0226913690567,1.32782447338104,0.225521981716156,0.417568653821945,0.454396814107895,2.87660384178162
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,17.1006927490234,7.85526275634766,30.973762512207,0.468826919794083,145.054168701172,0.0873691216111183,4.1133828163147,11.8500003814697,0.201837256550789,-0.246067151427269,65.2713165283203,0.503481268882751,12.1550626754761,1.49407255649567,1.38661134243011,0.283095210790634,0.499745815992355,0.383384257555008,3.45155692100525
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%29,10.361704826355,9.66344451904297,16.0059261322021,0.304428607225418,42.7490272521973,0.0763911530375481,4.43353319168091,11.9885530471802,0.171515226364136,-0.351244390010834,21.4247817993164,0.520324647426605,7.79297208786011,0.791542589664459,1.31424593925476,0.314070224761963,0.515248239040375,0.278673142194748,1.77718997001648
InChI%3D1S%2FC10H22O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-10H2%2C1H3,17.4667186737061,7.43572425842285,15.9979438781738,0.0697342306375504,44.191707611084,0.0270935669541359,3.94320487976074,11.9962491989136,0.0447867251932621,-0.421722233295441,20.7235774993896,0.69381582736969,16.2112045288086,0.473235666751862,1.84164369106293,0.446089774370193,0.541801571846008,0.606026351451874,0.78227710723877
InChI%3D1S%2FC9H12O2%2Fc1-7-8%2810-2%295-4-6-9%287%2911-3%2Fh4-6H%2C1-3H3,9.0034294128418,8.60542392730713,15.9959192276001,0.0999491587281227,29.589879989624,0.0231077764183283,4.88548421859741,11.8900003433228,0.27155339717865,-0.349294304847717,17.3562088012695,0.419505089521408,6.35046815872192,0.208049237728119,1.16763877868652,0.279004096984863,0.487299859523773,0.260833889245987,2.44491195678711
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%2C1-2H3,15.0929307937622,8.67718315124512,15.998706817627,0.149943560361862,149.982757568359,0.119836658239365,3.9171769618988,11.9961957931519,0.297263354063034,-0.375298082828522,63.4984359741211,0.327731668949127,8.79766941070557,1.80868637561798,1.1900737285614,0.187174990773201,0.501370966434479,0.360971122980118,4.48657512664795
InChI%3D1S%2FC2H3Cl3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2,3.02606081962585,9.97643280029297,34.9710578918457,0.317739456892014,6.74766826629639,0.213241398334503,4.79124784469604,11.998706817627,0.294912427663803,-0.389718472957611,2.86451625823975,0.537145435810089,1.48835647106171,0.645281493663788,1.47448241710663,0.11888463050127,0.557042300701141,0.380294740200043,0.89242297410965
InChI%3D1S%2FN3.Na%2Fc1-3-2%3B%2Fq-1%3B%2B1,,3.71343183517456,22.9897689819336,0.000251695280894637,,,-8.84833980308031e-07,13.8930740356445,,-0.269533097743988,,,,,,,,,
InChI%3D1S%2FC7H6N2O5%2Fc1-4-2-5%288%2811%2912%293-6%287%284%2910%299%2813%2914%2Fh2-3%2C10H%2C1H3,3.40789270401001,7.11486625671387,34.9701538085938,0.087548516690731,6.56432390213013,0.0819505006074905,5.25948715209961,11.9986352920532,0.220146894454956,-0.1925930082798,2.65810132026672,0.434697031974792,2.37837719917297,0.279278516769409,1.18125581741333,0.273426949977875,0.497304528951645,0.249254256486893,0.750237047672272
InChI%3D1S%2FC6H11NO%2Fc8-7-6-4-2-1-3-5-6%2Fh8H%2C1-5H2,5.41206693649292,7.61651086807251,15.9949169158936,0.0717309862375259,16.4344081878662,0.105251729488373,4.01093482971191,11.8999996185303,0.304560929536819,-0.266742676496506,8.02329730987549,0.501988053321838,3.19413328170776,0.569629371166229,1.1804016828537,0.192640498280525,0.362849026918411,0.315564572811127,1.64830410480499
InChI%3D1S%2FC8H19N%2Fc1-2-3-4-5-6-7-8-9%2Fh2-9H2%2C1H3,12.0259876251221,7.30672121047974,14.0091009140015,0.0271397065371275,33.005672454834,0.0485859848558903,4.74782371520996,11.9934787750244,0.0708476603031158,-0.363884657621384,15.7078628540039,0.485306292772293,10.5896797180176,0.584294438362122,1.45208144187927,0.410424768924713,0.579405963420868,0.387369215488434,0.852013111114502
InChI%3D1S%2FC7H8%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3,5.28810548782349,7.50088262557983,12.1500682830811,0.0899037942290306,12.4270544052124,0.0197789892554283,5.76818132400513,11.8500003814697,0.3268823325634,-0.210179626941681,6.51430225372314,0.468260794878006,3.45492386817932,0.104593388736248,1.16963672637939,0.240004003047943,0.568042695522308,0.133333265781403,1.72858834266663
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-3-2-4-8%2811%295-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,8.24544525146484,8.38050746917725,15.9959192276001,0.189215540885925,28.1278171539307,0.0606959275901318,4.70073890686035,11.8500003814697,0.217326417565346,-0.360429912805557,14.5436372756958,0.45433646440506,5.95302724838257,0.500464975833893,1.42104136943817,0.291483253240585,0.598777592182159,0.36792728304863,1.79195308685303
InChI%3D1S%2FC2H3Cl3%2Fc3-1-2%284%295%2Fh2H%2C1H2,2.73202300071716,8.76401519775391,34.9710578918457,0.212212473154068,5.75068664550781,0.257617741823196,5.59424543380737,11.998706817627,0.258661717176437,-0.177462980151176,2.3613760471344,0.483167558908463,1.32153570652008,0.703817546367645,1.78688263893127,0.112790413200855,0.883493542671204,0.420221567153931,0.706669807434082
InChI%3D1S%2FC9H13N%2Fc1-2-10-8-9-6-4-3-5-7-9%2Fh3-7%2C10H%2C2%2C8H2%2C1H3,8.28446197509766,8.51744365692139,14.0030784606934,0.0907398834824562,33.3200454711914,0.12770964205265,5.12339353561401,11.8500003814697,0.177100524306297,-0.312300801277161,16.0955371856689,0.460632503032684,5.75927352905273,1.05800569057465,1.44039380550385,0.271392375230789,0.557882368564606,0.421878904104233,1.4671825170517
InChI%3D1S%2FC10H22O%2Fc1-3-5-7-9-11-10-8-6-4-2%2Fh3-10H2%2C1-2H3,16.7891159057617,6.91554260253906,15.9949169158936,0.0511504970490932,63.9869728088379,0.0335589610040188,5.0653190612793,11.8900003433228,0.0996234193444252,-0.38064780831337,33.4833221435547,0.455579340457916,14.5531015396118,0.563425302505493,1.38027715682983,0.400113224983215,0.58877032995224,0.335927456617355,1.67258906364441
InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh5H%2C4H2%2C1H3,5.43950223922729,5.26001596450806,15.9979419708252,0.127963021397591,10.4450235366821,0.0554943419992924,3.6579601764679,11.9964618682861,0.107099235057831,-0.406782597303391,4.20449066162109,0.433552294969559,4.5550742149353,0.301861613988876,1.6170015335083,0.378054827451706,0.797356963157654,0.386092305183411,0.582566559314728
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%29,11.0552406311035,9.70891571044922,15.995922088623,0.283342331647873,59.2510185241699,0.0762230679392815,4.77080821990967,11.8500003814697,0.26811695098877,-0.325481712818146,30.0909690856934,0.397872269153595,7.24847888946533,0.842664301395416,1.32138526439667,0.241744995117188,0.566929399967194,0.356583535671234,2.96409726142883
InChI%3D1S%2FC11H22O%2Fc1-3-4-5-6-7-8-9-10-11%282%2912%2Fh3-10H2%2C1-2H3,16.2268829345703,7.50503730773926,16.0059261322021,0.215318322181702,58.1696128845215,0.0372001267969608,4.09353303909302,11.9885530471802,0.0880164802074432,-0.385163754224777,29.7046241760254,0.447915434837341,14.1950073242188,0.603642046451569,1.42730641365051,0.406087547540665,0.588212788105011,0.391178220510483,1.42823302745819
InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H,4.33075428009033,8.19937992095947,34.9688529968262,0.101906009018421,9.00265502929688,2.66106003898869e-09,5.88618183135986,11.8500003814697,0.469931423664093,-0.199085682630539,4.67190074920654,0.524328827857971,2.29559659957886,1.15243965481682e-08,1.32158041000366,0.14755143225193,0.444301098585129,0.352950394153595,2.0351574420929
InChI%3D1S%2FC4H6O%2Fc1-3-4%282%295%2Fh1%2C4-5H%2C2H3,3.82785987854004,5.9748420715332,15.9979419708252,0.135319098830223,8.76969146728516,0.123416431248188,4.13177156448364,11.9964618682861,0.247198611497879,-0.40361675620079,3.86486220359802,0.395758956670761,2.40919733047485,0.472420811653137,1.02429866790771,0.222038716077805,0.354722619056702,0.273817121982574,0.946241617202759
InChI%3D1S%2FC6H5ClO%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4%2C8H,4.85948324203491,8.25819301605225,34.9688529968262,0.11776127666235,10.5002946853638,5.99190863592725e-10,4.71643447875977,11.8500003814697,0.394500821828842,-0.36041647195816,5.64081192016602,0.49481612443924,2.94241309165955,2.91175794586707e-09,1.365278840065,0.204124391078949,0.447252511978149,0.423210173845291,1.91707003116608
InChI%3D1S%2FC10H11BrO3%2Fc1-13-7-3-4-10%2814-2%298%285-7%299%2812%296-11%2Fh3-5H%2C6H2%2C1-2H3,10.1076250076294,9.89331912994385,78.9185180664062,0.182078927755356,45.9053497314453,0.0453691110014915,4.87152767181396,11.9988403320312,0.345812201499939,-0.349703848361969,25.9341144561768,0.429664790630341,6.15371084213257,0.458573967218399,1.10127425193787,0.206614017486572,0.449442714452744,0.222166761755943,3.49533987045288
InChI%3D1S%2FC6H4N2O5%2Fc9-6-2-1-4%287%2810%2911%293-5%286%298%2812%2913%2Fh1-3%2C9H,6.8043737411499,8.88443470001221,34.9693794250488,0.154784485697746,17.2808856964111,6.86186707454794e-09,4.02821350097656,11.9985513687134,0.345977246761322,-0.297225445508957,10.4765119552612,0.5098557472229,4.45021533966064,4.66907081886347e-08,1.35062503814697,0.240517064929008,0.527817785739899,0.312951505184174,2.35415840148926
InChI%3D1S%2FC6H4Cl3N%2Fc7-3-1-2-4%2810%296%289%295%283%298%2Fh1-2H%2C10H2,5.71465396881104,10.4278841018677,34.9710578918457,0.159212619066238,13.5349950790405,0.0014331832062453,6.26292991638184,11.9985628128052,0.384471923112869,-0.300656735897064,7.75719118118286,0.44923061132431,3.50933980941772,0.00819014571607113,1.21922624111176,0.210571184754372,0.496809601783752,0.273186028003693,2.19712400436401
InChI%3D1S%2FC7H9NO%2Fc1-6%289%297-4-3-5-8%287%292%2Fh3-5H%2C1-2H3,6.48593854904175,8.74300765991211,15.9949169158936,0.171964794397354,19.6154975891113,0.0383541621267796,4.58693408966064,11.9935121536255,0.376934081315994,-0.382153868675232,10.8231391906738,0.528112292289734,3.79240441322327,0.248762741684914,1.38182246685028,0.188533812761307,0.53792941570282,0.315780788660049,2.44477128982544
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%2C1-3H3,17.0056915283203,10.6754837036133,31.9751663208008,0.298007547855377,106.483825683594,0.0722459405660629,4.99158668518066,11.9989995956421,0.137651637196541,-0.361343890428543,50.835994720459,0.346062391996384,13.4362382888794,1.22859215736389,1.29897010326385,0.342576831579208,0.522883415222168,0.430024325847626,2.34086132049561
InChI%3D1S%2FC5H8N4%2Fc1-3-4%282%298-9-5%286%297-3%2Fh1-2H3%2C%28H2%2C6%2C7%2C9%29,5.73733186721802,8.43855094909668,14.0060844421387,0.159144699573517,19.8741798400879,0.142192259430885,5.24327659606934,11.8900003433228,0.308014839887619,-0.27795398235321,9.58930778503418,0.493733912706375,3.15434432029724,0.815804183483124,1.4287234544754,0.162344664335251,0.519479274749756,0.415510207414627,1.7671834230423
InChI%3D1S%2FC5H5BrN2%2Fc6-4-1-2-5%287%298-3-4%2Fh1-3H%2C%28H2%2C7%2C8%29,4.82326602935791,9.7261905670166,78.9183349609375,0.0739460363984108,13.6519603729248,0.100641794502735,5.32768487930298,11.9945917129517,0.362150728702545,-0.306123614311218,6.63167810440063,0.524729549884796,2.59109449386597,0.485422134399414,1.26635432243347,0.152905598282814,0.418205380439758,0.32341930270195,1.74674928188324
InChI%3D1S%2FC9H20O%2Fc1-2-3-4-5-6-7-8-9-10%2Fh10H%2C2-9H2%2C1H3,14.6923027038574,7.35707378387451,15.9979429244995,0.0697207450866699,36.766658782959,0.0318958461284637,3.94073820114136,11.9962692260742,0.0531209297478199,-0.421720802783966,17.1575565338135,0.691048741340637,13.4432106018066,0.468623429536819,1.83071172237396,0.436237424612045,0.539695739746094,0.599967181682587,0.780468761920929
InChI%3D1S%2FC7H15NO%2Fc1-6%287%282%299%295-8%283%294%2Fh6H%2C5H2%2C1-4H3,7.35955047607422,8.34800624847412,15.9949169158936,0.133679121732712,27.1700744628906,0.131764143705368,4.40868330001831,11.9935121536255,0.187441885471344,-0.344978123903275,13.1080741882324,0.460251539945602,5.01033782958984,0.969724893569946,1.45846390724182,0.260595470666885,0.52833503484726,0.469877421855927,1.3794881105423
InChI%3D1S%2FC10H21N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3,8.39342403411865,9.53000831604004,14.0030794143677,0.0559013783931732,43.7596855163574,0.151605203747749,5.69215631484985,11.8999996185303,0.299154549837112,-0.300464510917664,20.6367073059082,0.579716742038727,4.61000633239746,1.27248680591583,1.7496190071106,0.161930188536644,0.638903796672821,0.530998468399048,2.51093101501465
InChI%3D1S%2FC8H8O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-4H%2C5-6H2,6.04980611801147,8.19418430328369,15.9949169158936,0.115795120596886,15.7759504318237,0.0307676568627357,6.25058889389038,11.8500003814697,0.294996231794357,-0.34482878446579,8.37111854553223,0.501390278339386,4.07899808883667,0.186138361692429,1.33032584190369,0.255677074193954,0.593668162822723,0.235267356038094,1.78467011451721
InChI%3D1S%2FC5H10O2%2Fc1-3-4-7-5%282%296%2Fh3-4H2%2C1-2H3,6.03071403503418,5.99239110946655,16.0060234069824,0.332064062356949,15.4146194458008,0.101619303226471,3.61899375915527,11.9887399673462,0.135503321886063,-0.339878916740417,7.07988023757935,0.391372710466385,4.60069561004639,0.612837016582489,1.38686299324036,0.32215803861618,0.601479113101959,0.394011110067368,0.817181766033173
InChI%3D1S%2FC6H14S2%2Fc1-3-5-7-8-6-4-2%2Fh3-6H2%2C1-2H3,9.62192058563232,10.2824459075928,31.973072052002,0.0552015490829945,32.7628707885742,0.068643145263195,5.75672149658203,11.8900003433228,0.141907408833504,-0.165716707706451,16.2906131744385,0.496628880500793,7.59601974487305,0.660478889942169,1.63674902915955,0.342087090015411,0.669661223888397,0.47045886516571,1.36542177200317
InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,5.35391902923584,9.41702556610107,34.9710578918457,0.150100141763687,12.3705520629883,1.15544263046274e-09,5.6944317817688,11.9985628128052,0.427786469459534,-0.356718212366104,7.01663303375244,0.438623189926147,3.06358480453491,6.18614626191061e-09,1.32296979427338,0.17916014790535,0.470818251371384,0.413528382778168,2.29033398628235
InChI%3D1S%2FC9H21N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh4-9H2%2C1-3H3,8.25713443756104,8.85288047790527,14.0030784606934,0.057039849460125,39.0755271911621,0.10026715695858,5.31243562698364,11.8900003433228,0.383158057928085,-0.302894741296768,19.6456985473633,0.45378640294075,4.2654275894165,0.82791942358017,1.37298941612244,0.137431085109711,0.444968611001968,0.474234372377396,3.1637876033783
InChI%3D1S%2FC8H10N4O2%2Fc1-10-4-9-6-5%2810%297%2813%2912%283%298%2814%2911%286%292%2Fh4H%2C1-3H3,8.08799171447754,9.91526031494141,15.9959230422974,0.284971743822098,38.7723655700684,0.112358115613461,4.99944353103638,11.9934787750244,0.384814471006393,-0.286823213100433,19.181755065918,0.46045196056366,4.06686401367188,0.908751487731934,1.29028427600861,0.127120569348335,0.434397101402283,0.395435154438019,3.11237597465515
InChI%3D1S%2FC4H12N.ClH%2Fc1-5%282%2C3%294%3B%2Fh1-4H3%3B1H%2Fq%2B1%3B%2Fp-1,,7.6743950843811,34.9688529968262,0.00850563868880272,,,2.34299874305725,11.9936571121216,,-0.386426478624344,,,,,,,,,
InChI%3D1S%2FC9H13N%2Fc1-10%282%298-9-6-4-3-5-7-9%2Fh3-7H%2C8H2%2C1-2H3,8.08753204345703,8.67463207244873,14.0030784606934,0.0907490104436874,29.0745162963867,0.0902050882577896,5.74754667282104,11.8500003814697,0.192478492856026,-0.304209798574448,14.39870262146,0.500206172466278,5.80131959915161,0.729536533355713,1.4390504360199,0.287987321615219,0.554881691932678,0.383962541818619,1.556676030159
InChI%3D1S%2FC6H9NO%2Fc1-4-5%282%298-6%283%297-4%2Fh1-3H3,5.71955156326294,7.83063364028931,15.9974184036255,0.106494545936584,20.235969543457,0.152160286903381,5.4961142539978,11.9968357086182,0.317036271095276,-0.380480885505676,9.72537612915039,0.423970848321915,3.03595757484436,0.870288610458374,1.31248784065247,0.148102581501007,0.484477579593658,0.40403938293457,1.81330537796021
InChI%3D1S%2FC12H12N2%2Fc1%2811-3-7-13-8-4-11%292-12-5-9-14-10-6-12%2Fh3-10H%2C1-2H2,11.3523988723755,8.82590007781982,14.0040864944458,0.147387206554413,38.0569000244141,0.0279827080667019,6.04848432540894,11.8500003814697,0.170425981283188,-0.264992654323578,21.1115474700928,0.540973484516144,9.09998416900635,0.317670851945877,1.35747838020325,0.351193487644196,0.566668570041656,0.249836325645447,1.93474352359772
InChI%3D1S%2FC7H10O2%2Fc1-4-5-9-7%288%296%282%293%2Fh4H%2C1-2%2C5H2%2C3H3,9.06647968292236,7.40301561355591,15.9959182739258,0.288610875606537,28.6647872924805,0.0765353366732597,4.38336944580078,11.8900003433228,0.123841375112534,-0.307951807975769,13.9498586654663,0.425897657871246,7.24976825714111,0.69390606880188,1.41467308998108,0.3497174680233,0.597004055976868,0.391771376132965,1.12280535697937
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%2Fs1,19.2170352935791,12.6504459381104,15.995924949646,0.265197455883026,277.759765625,0.106551080942154,4.89612483978271,11.8500003814697,0.413891434669495,-0.33116340637207,108.455375671387,0.356186300516129,9.21567249298096,2.04759573936462,1.06147253513336,0.109668113291264,0.300678372383118,0.404607802629471,7.95376586914062
InChI%3D1S%2FC5H12N2%2Fc1-7-4-2-6-3-5-7%2Fh6H%2C2-5H2%2C1H3,37.232048034668,7.40838384628296,14.0040788650513,0.110023953020573,172.6396484375,0.0224854871630669,5.65193176269531,11.8999996185303,0.044146504253149,-0.31366166472435,87.5884017944336,0.534590780735016,34.7512016296387,0.837180733680725,1.0219566822052,0.450026005506516,0.0648924559354782,0.422473520040512,1.64366471767426
InChI%3D1S%2FC3H6O%2Fc1-2-3-4%2Fh2%2C4H%2C1%2C3H2,3.39997982978821,5.39375638961792,15.9979419708252,0.0868285745382309,5.90292167663574,0.0472449064254761,3.71449542045593,11.9965486526489,0.195014789700508,-0.41696897149086,2.22854948043823,0.428105711936951,2.57630157470703,0.160631731152534,1.14755952358246,0.318305224180222,0.520980060100555,0.198473826050758,0.663046360015869
InChI%3D1S%2FC6H4N2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H,4.82442712783813,7.34688234329224,14.014349937439,0.172560930252075,9.97894287109375,9.22572518380349e-10,4.05721569061279,11.9885540008545,0.331063777208328,-0.310624957084656,5.15451574325562,0.471629679203033,3.22723412513733,4.45088410572225e-09,1.3929386138916,0.251702189445496,0.421813279390335,0.499495625495911,1.59719300270081
InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H,5.21506929397583,7.6498818397522,15.9949159622192,0.149764657020569,11.491982460022,1.96951518205424e-07,3.79509139060974,11.8500003814697,0.361415714025497,-0.29739835858345,6.27690696716309,0.513889670372009,3.33026027679443,1.02711589988758e-06,1.19581747055054,0.228938072919846,0.51488184928894,0.167045935988426,1.88480806350708
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%29,8.7666711807251,11.0551624298096,78.9183349609375,0.303265899419785,42.1684799194336,0.167471885681152,5.59820222854614,11.9886016845703,0.184577241539955,-0.364678919315338,19.9070148468018,0.44183474779129,5.68037223815918,1.46817100048065,1.47876119613647,0.235963150858879,0.556572794914246,0.480353593826294,1.61812794208527
InChI%3D1S%2FC6H12O%2Fc1-5%282%294-6%283%297%2Fh5H%2C4H2%2C1-3H3,5.25195741653442,7.40813255310059,16.0059242248535,0.215502932667732,16.1748466491699,0.160900756716728,4.0960111618042,11.9886989593506,0.233624309301376,-0.385114282369614,7.62576007843018,0.450704514980316,3.17992854118347,0.845043957233429,1.4802850484848,0.204106196761131,0.549527406692505,0.480053156614304,1.22698497772217
InChI%3D1S%2FC7H10N2%2Fc1-9%282%297-5-3-4-6-8-7%2Fh3-6H%2C1-2H3,6.99504089355469,8.25738143920898,14.014349937439,0.108234971761703,19.722131729126,0.0269515123218298,5.8244686126709,11.9885187149048,0.286712855100632,-0.310460329055786,10.9118356704712,0.59482479095459,4.80094575881958,0.188526928424835,1.39926064014435,0.264751732349396,0.605040788650513,0.199395075440407,2.00556826591492
InChI%3D1S%2FC13H10ClNO%2Fc14-10-7-5-9%286-8-10%2913%2816%2911-3-1-2-4-12%2811%2915%2Fh1-8H%2C15H2,11.2380342483521,9.84610748291016,34.9688529968262,0.19445139169693,52.9021148681641,0.0749477073550224,5.58255386352539,11.8500003814697,0.193284243345261,-0.30195426940918,26.6188354492188,0.485671520233154,8.22363471984863,0.842264890670776,1.5316127538681,0.298826038837433,0.538304388523102,0.507636845111847,2.17213487625122
InChI%3D1S%2FC8H8O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-6H%2C1H3,6.59112691879272,8.29063034057617,15.9949169158936,0.159554526209831,16.3627662658691,0.0139772379770875,4.43584012985229,11.8500003814697,0.270024687051773,-0.29402694106102,8.99786281585693,0.476139336824417,4.71923446655273,0.0921257510781288,1.16567194461823,0.286998569965363,0.572196424007416,0.117336124181747,1.7797669172287
InChI%3D1S%2FC8H18S%2Fc1-3-5-7-9-8-6-4-2%2Fh3-8H2%2C1-2H3,9.81646060943604,8.99904441833496,31.9720706939697,0.0499920696020126,40.1737823486328,0.0590559914708138,5.32749080657959,11.8900003433228,0.231520310044289,-0.170406445860863,21.1819515228271,0.525286614894867,6.96403026580811,0.579720795154572,1.53194987773895,0.282067775726318,0.646358966827393,0.360304266214371,2.27271008491516
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%2Fs1,6.06310606002808,10.63401222229,15.9949169158936,0.127374112606049,26.3060417175293,0.291054576635361,5.51274633407593,11.8999996185303,0.321156710386276,-0.391914576292038,12.1636657714844,0.444679468870163,2.35120415687561,1.76469469070435,1.42648124694824,0.0408415384590626,0.454141646623611,0.527660131454468,1.94720733165741
InChI%3D1S%2FC6H12O%2Fc1-3-4-6%282%295-7%2Fh5-6H%2C3-4H2%2C1-2H3,5.31269025802612,7.47663021087646,16.0059242248535,0.208773478865623,15.8434371948242,0.148533076047897,3.68711113929749,11.9886989593506,0.217415183782578,-0.388801485300064,7.46044445037842,0.43327984213829,3.36852025985718,0.78911018371582,1.49470365047455,0.225538805127144,0.545899033546448,0.515524804592133,1.15505945682526
InChI%3D1S%2FC8H18O%2Fc1-3-5-7-9-8-6-4-2%2Fh3-8H2%2C1-2H3,8.55369567871094,6.5815052986145,15.9949169158936,0.0518502928316593,34.8331604003906,0.0754560306668282,5.00828742980957,11.8900003433228,0.267836838960648,-0.380642294883728,17.9733600616455,0.53435343503952,5.61727285385132,0.645427942276001,1.6129891872406,0.242530345916748,0.604968428611755,0.473667293787003,2.29099488258362
InChI%3D1S%2FC8H9NO2%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3%2C%28H2%2C9%2C10%29,7.78936433792114,8.85850620269775,15.9982604980469,0.189767450094223,28.9619560241699,0.0444164164364338,4.9187593460083,11.9962921142578,0.454120695590973,-0.367292374372482,16.3922424316406,0.485789507627487,3.90607714653015,0.345975667238235,1.33912336826324,0.126097172498703,0.568448841571808,0.284884989261627,3.5373113155365
InChI%3D1S%2FC11H17NO%2Fc1-3-12%287-8-13%2911-6-4-5-10%282%299-11%2Fh4-6%2C9%2C13H%2C3%2C7-8H2%2C1-2H3,11.7551250457764,9.59282493591309,15.9949178695679,0.105160921812057,68.2282791137695,0.0873947963118553,4.24669885635376,11.8500003814697,0.241905316710472,-0.394430637359619,33.4406623840332,0.421838164329529,7.88416051864624,1.02733671665192,1.0467563867569,0.253024905920029,0.348310619592667,0.276607632637024,2.84362721443176
InChI%3D1S%2FC2H3Cl3%2Fc1-2%283%2C4%295%2Fh1H3,2.74478316307068,9.74131965637207,34.9710578918457,0.29441624879837,5.78385782241821,0.256270736455917,6.56807088851929,11.998706817627,0.256275981664658,-0.146236628293991,2.37706518173218,0.418775409460068,1.33795356750488,0.703407645225525,1.73506152629852,0.115589953958988,0.897508442401886,0.418777614831924,0.703422009944916
InChI%3D1S%2FC12H10O2%2Fc13-10-6-8-12%289-7-10%2914-11-4-2-1-3-5-11%2Fh1-9%2C13H,11.1956768035889,8.35081481933594,15.9959211349487,0.105715654790401,43.8429489135742,0.0924199223518372,4.72221946716309,11.8500003814697,0.108624860644341,-0.360447317361832,21.3916797637939,0.379793524742126,8.94484424591064,1.03470361232758,1.24764204025269,0.349216401576996,0.559799194335938,0.308049321174622,1.21612894535065
InChI%3D1S%2FC6H10O%2Fc7-6-4-2-1-3-5-6%2Fh1-5H2,4.17145967483521,6.78235864639282,15.9949159622192,0.132702961564064,11.4360599517822,0.145313426852226,4.1998724937439,11.8999996185303,0.422371089458466,-0.299189269542694,5.33856248855591,0.446301162242889,1.80338644981384,0.606169104576111,1.32927000522614,0.0742366090416908,0.543676257133484,0.339292615652084,1.76190388202667
InChI%3D1S%2FC6H13Br%2Fc1-2-3-4-5-6-7%2Fh2-6H2%2C1H3,7.35313844680786,8.16811466217041,78.9185180664062,0.0854166895151138,17.6743450164795,0.0639159455895424,5.14568424224854,11.9988508224487,0.107617601752281,-0.196193292737007,8.0555944442749,0.717800855636597,6.0918288230896,0.469982802867889,1.84951257705688,0.371349841356277,0.531778395175934,0.599933326244354,0.791327118873596
InChI%3D1S%2FC7H14O%2Fc1-6%282%294-5-7%283%298%2Fh6H%2C4-5H2%2C1-3H3,6.58153915405273,7.5250768661499,16.0059242248535,0.215299978852272,20.6620311737061,0.104140125215054,4.09601068496704,11.9886627197266,0.196676403284073,-0.385158747434616,9.99782466888428,0.47678405046463,4.60170364379883,0.685402274131775,1.47041237354279,0.27438759803772,0.527250409126282,0.466377973556519,1.29443347454071
InChI%3D1S%2FC9H19NO%2Fc1-4-10%285-2%298-6-7-9%283%2911%2Fh4-8H2%2C1-3H3,9.27355766296387,8.4800386428833,16.0059261322021,0.215354114770889,38.0459785461426,0.0781936272978783,4.12507486343384,11.9886016845703,0.215390399098396,-0.385157734155655,19.2839241027832,0.400579810142517,6.55098915100098,0.725133121013641,1.29884803295135,0.279811978340149,0.460703700780869,0.437564551830292,1.9974353313446
InChI%3D1S%2FC14H23N%2Fc1-2-3-4-5-6-7-8-13-9-11-14%2815%2912-10-13%2Fh9-12H%2C2-8%2C15H2%2C1H3,22.2246761322021,8.88481140136719,14.0030813217163,0.0996794253587723,81.4024047851562,0.0401601977646351,5.13253355026245,11.8500003814697,0.0470392033457756,-0.302492558956146,40.2482757568359,0.395597964525223,20.2866973876953,0.892547369003296,1.38744962215424,0.434600442647934,0.554575562477112,0.437276095151901,1.04543101787567
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,,13.6672554016113,31.9728317260742,0.412936419248581,,,5.05649995803833,11.9989995956421,,-0.373908698558807,,,,,,,,,
InChI%3D1S%2FC10H12O4%2Fc1-12-8-5-10%2814-3%299%2813-2%294-7%288%296-11%2Fh4-6H%2C1-3H3,10.3728218078613,8.61174011230469,15.9992876052856,0.152535945177078,44.8850746154785,0.0375491380691528,4.03554821014404,11.9962491989136,0.317701548337936,-0.375307023525238,25.9280300140381,0.529778718948364,6.68786954879761,0.38949054479599,1.39990448951721,0.233561992645264,0.601868271827698,0.268257439136505,3.29546141624451
InChI%3D1S%2FC10H18O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-7%2C10H2%2C1H3,16.5404777526855,7.35646438598633,15.9979438781738,0.128023475408554,47.031421661377,0.0329174287617207,3.81358575820923,11.9962491989136,0.056617509573698,-0.406791627407074,22.8123054504395,0.513104736804962,15.0595283508301,0.544470012187958,1.51863610744476,0.432848781347275,0.525145530700684,0.48038586974144,0.936480700969696
InChI%3D1S%2FC12H14O4%2Fc1-3-15-11%2813%299-7-5-6-8-10%289%2912%2814%2916-4-2%2Fh5-8H%2C3-4H2%2C1-2H3,16.072244644165,9.43235492706299,15.9979267120361,0.295095503330231,141.739334106445,0.101208686828613,4.7785701751709,11.8900003433228,0.22272963821888,-0.313052445650101,62.3950576782227,0.413253009319305,10.8658294677734,1.62665092945099,1.09975159168243,0.25704625248909,0.332030862569809,0.35446771979332,3.57976531982422
InChI%3D1S%2FC7H7F%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C1H3,5.39211130142212,7.45538234710693,19.0001335144043,0.159136742353439,12.8726100921631,0.019413348287344,4.14896297454834,11.9974966049194,0.333079516887665,-0.239136949181557,6.82409811019897,0.455566763877869,3.49143052101135,0.104678928852081,1.16016530990601,0.235630363225937,0.571265161037445,0.133333325386047,1.79600167274475
InChI%3D1S%2FC6H5Cl2N%2Fc7-5-2-1-4%289%293-6%285%298%2Fh1-3H%2C9H2,5.49704360961914,9.45399856567383,34.9701538085938,0.143411830067635,12.6053876876831,0.00154646032024175,5.77393245697021,11.9985628128052,0.366931885480881,-0.302415043115616,7.04881906509399,0.476304411888123,3.47150230407715,0.00850095972418785,1.24253988265991,0.223641246557236,0.489224821329117,0.277010709047318,2.01704072952271
InChI%3D1S%2FC8H6ClNO3%2Fc1-5%2811%296-2-3-7%289%298%284-6%2910%2812%2913%2Fh2-4H%2C1H3,7.73143196105957,9.00679779052734,34.9688529968262,0.184763386845589,24.0524215698242,0.0224188454449177,3.84556651115417,11.9989995956421,0.331026613712311,-0.298838943243027,14.1035022735596,0.494572669267654,4.99879217147827,0.173329785466194,1.19864797592163,0.234915897250175,0.552521944046021,0.151553377509117,2.55930972099304
InChI%3D1S%2FC6H5N3O4%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2812%2913%2Fh1-3H%2C7H2,7.07175254821777,8.16714096069336,16.0169982910156,0.179348975419998,19.0867958068848,0.00585863133892417,3.59359383583069,11.9989995956421,0.348829329013824,-0.320906460285187,11.5486402511597,0.521718621253967,4.56348705291748,0.0414307937026024,1.20423233509064,0.233984023332596,0.522284209728241,0.160229429602623,2.46683478355408
InChI%3D1S%2FC2H3F3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2,2.61116480827332,4.2035059928894,19.0012512207031,0.431900769472122,5.09592533111572,0.17367459833622,2.58600783348083,11.9978256225586,0.276374250650406,-0.386568427085876,2.01480031013489,0.573172509670258,1.43601310253143,0.453492999076843,1.6968640089035,0.162463366985321,0.677032113075256,0.446659356355667,0.721658706665039
InChI%3D1S%2FC6H10O3%2Fc1-3-6%288%299-4-5%282%297%2Fh3%2C5%2C7H%2C1%2C4H2%2C2H3,7.19240570068359,6.4501519203186,15.9987020492554,0.28545269370079,23.2158355712891,0.117407932877541,4.07130527496338,11.9963550567627,0.153218924999237,-0.415068060159683,11.1416063308716,0.472836762666702,5.24594736099243,0.844445466995239,1.41056883335114,0.297029852867126,0.505961775779724,0.431770294904709,1.10201263427734
InChI%3D1S%2FC9H21N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-10H2%2C1H3,15.324743270874,7.39587211608887,14.0091009140015,0.0271630398929119,39.2572288513184,0.0323423705995083,4.75276327133179,11.9934511184692,0.0515329800546169,-0.363886028528214,18.4371871948242,0.70857161283493,14.0393753051758,0.495638519525528,1.91338098049164,0.437093496322632,0.561587154865265,0.643222153186798,0.789729714393616
InChI%3D1S%2FC7HF5O%2Fc8-3-2%281-13%294%289%296%2811%297%2812%295%283%2910%2Fh1H,5.7584080696106,7.50200748443604,19.0029010772705,0.205795362591743,14.0028800964355,0.00796805415302515,3.75809764862061,11.9974966049194,0.370060831308365,-0.297212839126587,7.89428281784058,0.46421018242836,3.5815634727478,0.0458833053708076,1.13716804981232,0.216478317975998,0.515637159347534,0.157320737838745,2.13096141815186
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh6H%2C2-5H2%2C1H3,6.82685899734497,6.77340793609619,16.0059242248535,0.206335827708244,15.8847799301147,0.0698538571596146,3.40818333625793,11.9886989593506,0.10633672773838,-0.38946196436882,7.11093330383301,0.611032605171204,5.62403059005737,0.47688239812851,1.69587695598602,0.367857068777084,0.531794607639313,0.553049743175507,0.725945830345154
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%29,10.5936822891235,9.2446813583374,15.9983062744141,0.283414870500565,63.8481178283691,0.120625011622906,4.74211311340332,11.996711730957,0.262004911899567,-0.357960015535355,30.0573616027832,0.422030627727509,6.54022264480591,1.27786302566528,1.47465360164642,0.213027566671371,0.580017566680908,0.472605407238007,2.77559661865234
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3,11.107738494873,13.3603820800781,34.9729804992676,0.306619226932526,75.1776351928711,0.176969900727272,6.19721698760986,11.9985179901123,0.203278511762619,-0.144389227032661,33.5146751403809,0.320991396903992,6.88403844833374,1.96573543548584,1.32099545001984,0.214813679456711,0.496980726718903,0.503023326396942,2.25796461105347
InChI%3D1S%2FC8H10O2%2Fc1-9-7-3-5-8%2810-2%296-4-7%2Fh3-6H%2C1-2H3,8.80251312255859,7.48105478286743,15.9982595443726,0.0770856812596321,23.8704414367676,0.0182284973561764,4.6850643157959,11.9962921142578,0.192867711186409,-0.377485126256943,13.1762180328369,0.410143584012985,6.94433641433716,0.160456582903862,1.14024925231934,0.341677844524384,0.530105650424957,0.199999988079071,1.69772064685822
InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3,1.95184636116028,4.01851272583008,16.0059242248535,0.203633710741997,3.09731125831604,0.11480862647295,2.80404543876648,11.9889106750488,0.260150790214539,-0.390170723199844,1.00664734840393,0.546671807765961,1.2199832201004,0.224088802933693,1.6243782043457,0.218780443072319,0.791992127895355,0.285714238882065,0.507774353027344
InChI%3D1S%2FC9H9N%2Fc1-7-6-10-9-5-3-2-4-8%287%299%2Fh2-6%2C10H%2C1H3,6.83812999725342,9.12541484832764,14.0030784606934,0.109568685293198,22.4380493164062,0.05821318551898,6.2520866394043,11.8500003814697,0.321466743946075,-0.287613570690155,11.8881130218506,0.545725286006927,4.24182939529419,0.398069322109222,1.33824145793915,0.215240061283112,0.550568282604218,0.241947814822197,2.19823122024536
InChI%3D1S%2FC3H9NO%2Fc1-5-3-2-4%2Fh2-4H2%2C1H3,4.48170900344849,5.52023410797119,15.9949159622192,0.0591981932520866,10.3146963119507,0.109778098762035,4.16186857223511,11.9937324523926,0.18246565759182,-0.382597327232361,4.55680799484253,0.497223079204559,3.17195773124695,0.491993516683578,1.51797688007355,0.280817180871964,0.65085780620575,0.369896024465561,0.817758023738861
InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3,6.98044300079346,8.59088039398193,14.0030784606934,0.098161906003952,19.8101291656494,0.024097790941596,5.90784358978271,11.8500003814697,0.30673149228096,-0.280728697776794,11.1473169326782,0.609067320823669,4.67110824584961,0.16821326315403,1.36928570270538,0.251878052949905,0.582740604877472,0.177477791905403,2.14112162590027
InChI%3D1S%2FC6H8O%2Fc1-5-3-4-6%282%297-5%2Fh3-4H%2C1-2H3,,6.74091863632202,16.0005397796631,0.143871814012527,,,5.36668729782104,11.9939165115356,,-0.406360983848572,,,,,,,,,
InChI%3D1S%2FC12H10%2Fc1-3-9-4-2-6-11-8-7-10%285-1%2912%289%2911%2Fh1-6H%2C7-8H2,7.70329570770264,9.96127414703369,12.1501417160034,0.125455364584923,25.0997142791748,0.0184764713048935,7.32115602493286,11.8500003814697,0.481380492448807,-0.175934448838234,15.3629789352417,0.569683253765106,3.85274982452393,0.142329722642899,1.23887610435486,0.125107288360596,0.487374693155289,0.181818187236786,3.70821619033813
InChI%3D1S%2FC5H13N%2Fc1-5%282%2C3%294-6%2Fh4%2C6H2%2C1-3H3,2.5151834487915,5.23300647735596,15.9977836608887,0.263769000768661,4.76256847381592,0.14299364387989,3.26224732398987,11.9970207214355,0.316862493753433,-0.339681208133698,1.85797572135925,0.516228139400482,1.35856091976166,0.359655261039734,1.36451172828674,0.155107900500298,0.403845936059952,0.444437652826309,0.796967327594757
InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%297%282%295-6%2Fh3-5%2C9H%2C1-2H3,11.1141195297241,8.09749031066895,15.9949169158936,0.113887079060078,42.1299667358398,0.0194298755377531,4.98715209960938,11.8500003814697,0.267689943313599,-0.36015048623085,25.9255409240723,0.54605770111084,7.92303609848022,0.215945959091187,1.00899302959442,0.284660160541534,0.170565381646156,0.292369902133942,2.97513794898987
InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3,3.30974197387695,8.06100273132324,34.9701538085938,0.113158449530602,7.19797611236572,0.155418887734413,5.41362619400024,11.9986352920532,0.247291997075081,-0.213894069194794,3.05593228340149,0.363533496856689,1.97687292098999,0.51439642906189,1.2691912651062,0.19796684384346,0.475867837667465,0.429789960384369,0.818472683429718
InChI%3D1S%2FC6H7N%2Fc1-6-2-4-7-5-3-6%2Fh2-5H%2C1H3,4.88889598846436,7.41750621795654,14.003077507019,0.147181332111359,11.3789978027344,0.0229303315281868,5.726487159729,11.8500003814697,0.367511004209518,-0.264014601707458,5.88985633850098,0.502416849136353,2.98006892204285,0.112104013562202,1.26262474060059,0.207168996334076,0.617350816726685,0.142857104539871,1.79672312736511
InChI%3D1S%2FC4H6O2%2Fc5-3-1-2-4-6%2Fh5-6H%2C3-4H2,5.85988998413086,5.37864208221436,15.9982576370239,0.128105983138084,12.7918701171875,0.0707622841000557,3.68745589256287,11.9964618682861,0.118712797760963,-0.406801015138626,5.56193685531616,0.597186028957367,4.749587059021,0.414659231901169,1.80561757087708,0.35789367556572,0.832482397556305,0.375949174165726,0.695643961429596
InChI%3D1S%2FC5H10O%2Fc1-3-4-5%282%296%2Fh3-4H2%2C1-2H3,5.10531663894653,6.54550695419312,16.0059242248535,0.215269699692726,12.3344974517822,0.113966599106789,3.93742108345032,11.9887399673462,0.151882082223892,-0.385160118341446,5.53820276260376,0.428441882133484,3.74807500839233,0.581835567951202,1.4146021604538,0.30061349272728,0.561280190944672,0.424880087375641,0.775406181812286
InChI%3D1S%2FC9H11NO%2Fc1-10%282%299-5-3-8%287-11%294-6-9%2Fh3-7H%2C1-2H3,10.3905944824219,8.76669502258301,15.9949178695679,0.149795457720757,56.8711395263672,0.110528610646725,3.86844992637634,11.8500003814697,0.236973881721497,-0.29746076464653,27.3081970214844,0.364777803421021,6.77983713150024,1.1484580039978,1.114954829216,0.239373132586479,0.563756704330444,0.186420291662216,2.46229958534241
InChI%3D1S%2FC3H2F6O%2Fc4-2%285%2C6%291%2810%293%287%2C8%299%2Fh1%2C10H,3.42320394515991,5.32450532913208,19.0038108825684,0.443044543266296,8.24448394775391,0.191157847642899,2.86783647537231,11.9976863861084,0.313192158937454,-0.376508861780167,3.63092541694641,0.351781100034714,1.69671094417572,0.654372274875641,1.14658689498901,0.121737495064735,0.456629574298859,0.338176190853119,1.07212054729462
InChI%3D1S%2FC8H6Br4%2Fc9-7%2810%295-3-1-2-4-6%285%298%2811%2912%2Fh1-4%2C7-8H,7.05523300170898,13.0899963378906,78.92138671875,0.191821739077568,27.3909912109375,0.0829624608159065,7.88131237030029,11.9988441467285,0.435589104890823,-0.15388286113739,14.2257404327393,0.584427833557129,3.39673089981079,0.585319519042969,1.38409638404846,0.111086331307888,0.577454328536987,0.222214192152023,3.07318258285522
InChI%3D1S%2FC10H10O2%2Fc1-8%2811%297-10%2812%299-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3,9.05954170227051,8.80244445800781,15.9959192276001,0.169939026236534,32.2316665649414,0.0716720521450043,4.23564338684082,11.8500003814697,0.173284932971001,-0.299171984195709,16.1994247436523,0.475569427013397,6.8403434753418,0.649315893650055,1.39443469047546,0.316282272338867,0.573822319507599,0.345042884349823,1.56988203525543
InChI%3D1S%2FC6H6ClN%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C8H2,5.22808408737183,8.74905204772949,34.9693794250488,0.135978311300278,11.7996063232422,0.00155457365326583,5.89617967605591,11.9985628128052,0.388427674770355,-0.300831109285355,6.51888561248779,0.465060651302338,3.18922400474548,0.00812744162976742,1.26790952682495,0.207513302564621,0.544953465461731,0.257895350456238,2.03073239326477
InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%2811%295%289%296%2810%294%282%298%2Fh1%2C11H,5.62559795379639,10.7620229721069,34.9720077514648,0.170035168528557,13.4390048980713,3.03098768306143e-09,5.69443273544312,11.9985628128052,0.444229990243912,-0.357775121927261,7.81340599060059,0.429004848003387,3.12653875350952,1.70511178509969e-08,1.2713588476181,0.166827499866486,0.479341596364975,0.363012462854385,2.49905943870544
InChI%3D1S%2FC6H12N2%2Fc1-2-8-5-3-7%281%294-6-8%2Fh1-6H2,4.48101091384888,7.89301586151123,14.0040798187256,0.111850574612617,14.3187589645386,0.264029562473297,7.00050020217896,11.8999996185303,0.367982089519501,-0.299698650836945,6.62082099914551,0.543102025985718,1.64895963668823,1.18311929702759,1.98742413520813,0.0259912479668856,0.543107271194458,0.901214897632599,1.64893174171448
InChI%3D1S%2FC6HCl3N2O4%2Fc7-2-1-3%288%296%2811%2814%2915%294%289%295%282%2910%2812%2913%2Fh1H,6.93043375015259,10.2839918136597,34.9710578918457,0.212928161025047,22.3525047302246,0.044023372232914,4.10965633392334,11.9985628128052,0.356763392686844,-0.191027462482452,12.2893171310425,0.512234270572662,4.15280771255493,0.305101066827774,1.33977961540222,0.199409916996956,0.57754373550415,0.250001698732376,2.47252511978149
InChI%3D1S%2FC14H14OS%2Fc15-16%2811-13-7-3-1-4-8-13%2912-14-9-5-2-6-10-14%2Fh1-10H%2C11-12H2,12.5130825042725,10.7335033416748,31.9720726013184,0.0903919264674187,74.5476455688477,0.0850946605205536,6.70983123779297,11.8500003814697,0.222742274403572,-0.258403599262238,36.3302307128906,0.486872047185898,8.66109371185303,1.0647965669632,1.39634454250336,0.269122302532196,0.580163896083832,0.32930850982666,2.78719258308411
InChI%3D1S%2FC8H6Cl2O2%2Fc1-12-8%2811%296-4-5%289%292-3-7%286%2910%2Fh2-4H%2C1H3,8.62960815429688,9.67850971221924,34.9701538085938,0.295033276081085,25.8943042755127,0.0339488685131073,4.72344064712524,11.9985437393188,0.2012899518013,-0.315124362707138,13.9061870574951,0.390394985675812,6.59958934783936,0.292965441942215,1.19499039649963,0.323570877313614,0.579459846019745,0.225135639309883,1.73705339431763
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%2C1-3H3,11.688681602478,11.3913192749023,34.9693794250488,0.229815870523453,104.117401123047,0.203108802437782,4.81318712234497,11.9985179901123,0.319539964199066,-0.367807745933533,42.9534034729004,0.369012624025345,5.57960653305054,2.37407422065735,1.21661972999573,0.108013428747654,0.499123156070709,0.348483979701996,3.73500084877014
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,,9.56670093536377,31.9720726013184,0.483899682760239,,,5.03998279571533,11.8500003814697,,-0.344288915395737,,,,,,,,,
InChI%3D1S%2FC6H3I3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,5.75253057479858,14.5866365432739,126.906509399414,0.120170086622238,13.8821058273315,2.57860344188288e-10,7.63337278366089,11.9989137649536,0.434188187122345,-0.357801586389542,8.12957572937012,0.412103652954102,3.2548496723175,1.48334944327644e-09,1.31817817687988,0.174358859658241,0.449030578136444,0.45704397559166,2.4976806640625
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,2.48567771911621,6.81075191497803,34.9701538085938,0.110870480537415,4.68489646911621,0.159022018313408,5.09803342819214,11.998706817627,0.287997454404831,-0.214484810829163,1.81027221679688,0.805223643779755,1.37453126907349,0.395277500152588,1.81992161273956,0.164735391736031,0.51469761133194,0.500000357627869,0.715868830680847
InChI%3D1S%2FC9H10O2%2Fc1-2-11-9-5-3-8%287-10%294-6-9%2Fh3-7H%2C2H2%2C1H3,9.85527038574219,7.83298397064209,15.9959192276001,0.149814963340759,25.4616413116455,0.0152910826727748,3.83926558494568,11.8500003814697,0.151971936225891,-0.346113264560699,13.754054069519,0.441147416830063,8.20684814453125,0.150697752833366,1.17325639724731,0.374552726745605,0.541645705699921,0.190463200211525,1.49772441387177
InChI%3D1S%2FC12H10OS%2Fc13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,10.5537528991699,11.3689823150635,31.9720726013184,0.0972956717014313,50.444881439209,0.0847713574767113,6.8829493522644,11.8500003814697,0.209965929389,-0.248629927635193,25.1350955963135,0.55657547712326,7.44316816329956,0.894655883312225,1.60904598236084,0.278947025537491,0.619495689868927,0.432974845170975,2.21592855453491
InChI%3D1S%2FC5H12O%2Fc1-2-3-4-5-6%2Fh6H%2C2-5H2%2C1H3,5.98426151275635,6.50213479995728,15.9979419708252,0.0696688741445541,14.4507131576538,0.0817029029130936,3.86671495437622,11.9964008331299,0.139111071825027,-0.4217149913311,6.56855773925781,0.546627104282379,4.66285276412964,0.488931506872177,1.55397808551788,0.334389537572861,0.570650041103363,0.436700880527496,0.832477033138275
InChI%3D1S%2FC6H6FN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,5.08854246139526,7.32200860977173,18.9984035491943,0.123512879014015,11.1769895553589,0.0017011136515066,3.90730977058411,11.8500003814697,0.366050273180008,-0.302468448877335,6.0365743637085,0.495295286178589,3.21722388267517,0.00865618884563446,1.27950966358185,0.224186465144157,0.509858250617981,0.274356126785278,1.86266231536865
InChI%3D1S%2FC5H8O3%2Fc1-2-5%287%298-4-3-6%2Fh2%2C6H%2C1%2C3-4H2,6.47125434875488,6.1434588432312,15.9987010955811,0.285439491271973,18.2856101989746,0.0813062414526939,3.73926019668579,11.9964008331299,0.185327485203743,-0.418270826339722,8.81967926025391,0.49626350402832,4.74580001831055,0.526153385639191,1.39919281005859,0.300024718046188,0.603695929050446,0.299233376979828,1.19930136203766
InChI%3D1S%2FC6H2F5N%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H2,5.52088403701782,7.18550872802734,19.0029010772705,0.211845606565475,12.8211107254028,0.00119521515443921,3.83902478218079,11.9975233078003,0.38692444562912,-0.297527492046356,7.25260925292969,0.463130474090576,3.37812042236328,0.00659864442422986,1.21104621887207,0.208910241723061,0.527140915393829,0.220774799585342,2.13616514205933
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,,12.1273164749146,22.9897708892822,0.372302383184433,,,-2.35684433391725e-06,11.9962186813354,,-0.347110509872437,,,,,,,,,
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%2C5H2,12.0904064178467,9.98530292510986,34.9698524475098,0.102059848606586,72.8413009643555,0.0727575570344925,5.46634721755981,11.9962062835693,0.291181236505508,-0.386345535516739,36.9352111816406,0.458082348108292,7.69023847579956,0.879668414592743,1.36396288871765,0.22704590857029,0.567926347255707,0.337954252958298,3.52049922943115
InChI%3D1S%2FC9H18O%2Fc1-3-5-7-9%2810%298-6-4-2%2Fh3-8H2%2C1-2H3,10.9392518997192,7.4110746383667,15.9949169158936,0.132706537842751,41.6879997253418,0.0649519488215446,4.58680629730225,11.8900003433228,0.145241424441338,-0.299200713634491,20.9951171875,0.458036065101624,8.63989353179932,0.710525691509247,1.49070692062378,0.342354983091354,0.578077614307404,0.45459321141243,1.58883249759674
InChI%3D1S%2FC7H11ClO4%2Fc1-3-11-6%289%295%288%297%2810%2912-4-2%2Fh5H%2C3-4H2%2C1-2H3,10.9276361465454,8.81862926483154,34.9688529968262,0.2968829870224,33.5764198303223,0.0626523047685623,4.58389043807983,11.8900003433228,0.0919388383626938,-0.314936846494675,16.2942810058594,0.462636470794678,9.23832035064697,0.684641599655151,1.39852809906006,0.384056627750397,0.625638604164124,0.310253024101257,1.00467419624329
InChI%3D1S%2F2C4H7Cl3O.H2O%2Fc2%2A1-3%282%2C8%294%285%2C6%297%3B%2Fh2%2A8H%2C1-2H3%3B1H2,,11.2336578369141,34.9739570617676,0.322496145963669,,,1.43799734115601,11.9985437393188,,-0.411101400852203,,,,,,,,,
InChI%3D1S%2FC12H8ClNO3%2Fc13-9-5-7-10%288-6-9%2917-12-4-2-1-3-11%2812%2914%2815%2916%2Fh1-8H,11.2397022247314,8.9046106338501,34.9688529968262,0.189235702157021,55.6045913696289,0.0955998003482819,3.73596048355103,11.9989995956421,0.174928933382034,-0.358113497495651,27.0431632995605,0.324707865715027,8.19903945922852,1.07451319694519,1.17421865463257,0.297103434801102,0.556126058101654,0.293384701013565,1.96614909172058
InChI%3D1S%2FC6H12O%2Fc1-3-5-6%287%294-2%2Fh4%2C6-7H%2C2-3%2C5H2%2C1H3,5.77551937103271,7.33813190460205,15.9949159622192,0.129093766212463,17.626781463623,0.140513852238655,4.82330513000488,11.789999961853,0.194753155112267,-0.388447284698486,8.34677982330322,0.417367696762085,3.83917808532715,0.811540484428406,1.47413516044617,0.248549744486809,0.526788175106049,0.529979348182678,1.12480056285858
InChI%3D1S%2FC5Cl5N%2Fc6-1-2%287%294%289%2911-5%2810%293%281%298,5.22579622268677,11.050009727478,34.9729766845703,0.226122334599495,11.8779830932617,2.72589201211204e-10,6.81572484970093,11.9985771179199,0.419937640428543,-0.206652164459229,6.65218687057495,0.521434783935547,3.0312876701355,1.42449563256264e-09,1.51778066158295,0.185046777129173,0.505543947219849,0.490801930427551,2.19450855255127
InChI%3D1S%2FC12H27N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-13H2%2C1H3,20.8788928985596,7.55831909179688,14.0091028213501,0.0272369235754013,71.3457717895508,0.031824454665184,4.75708484649658,11.99338722229,0.0559533461928368,-0.363889992237091,35.6822624206543,0.332026183605194,19.0461883544922,0.664459407329559,1.20022583007812,0.434166640043259,0.455332100391388,0.412867516279221,1.16824388504028
InChI%3D1S%2FC7H6Cl2O2%2Fc1-11-7-3-5%289%294%288%292-6%287%2910%2Fh2-3%2C10H%2C1H3,6.89540004730225,9.51101779937744,34.9698524475098,0.1291424036026,18.8387718200684,0.0137230018153787,4.90277481079102,11.996319770813,0.331671714782715,-0.382592678070068,10.9665498733521,0.411211878061295,4.51376533508301,0.0946255922317505,1.02598440647125,0.240953966975212,0.49712347984314,0.117649078369141,2.28700923919678
InChI%3D1S%2FC8H14O3%2Fc1-4-10-5-6-11-8%289%297%282%293%2Fh2%2C4-6H2%2C1%2C3H3,13.0525417327881,7.39170742034912,15.9969205856323,0.288397371768951,41.6730155944824,0.0468986257910728,4.37203073501587,11.8900003433228,0.0884481593966484,-0.378593266010284,20.6446380615234,0.457149922847748,11.2859220504761,0.612146258354187,1.43173050880432,0.39848992228508,0.586591780185699,0.387988775968552,1.15447330474854
InChI%3D1S%2FC10H15BrO%2Fc1-9%282%296-4-5-10%289%2C3%298%2812%297%286%2911%2Fh6-7H%2C4-5H2%2C1-3H3,6.02065658569336,11.3380279541016,78.9185180664062,0.159320056438446,25.970775604248,0.297179579734802,5.82449626922607,11.9988403320312,0.319010257720947,-0.296724885702133,12.0091819763184,0.48902428150177,2.31078934669495,1.78921627998352,1.50377988815308,0.0378576219081879,0.464613705873489,0.550141930580139,1.92065119743347
InChI%3D1S%2FC6H11BrO%2Fc7-5-6-3-1-2-4-8-6%2Fh6H%2C1-5H2,5.1484203338623,8.58080196380615,78.9183349609375,0.0739574953913689,15.7152252197266,0.14044862985611,6.44129037857056,11.9968357086182,0.276775330305099,-0.398459821939468,7.4753098487854,0.468354016542435,3.00037622451782,0.723088562488556,1.31615054607391,0.187082037329674,0.518218040466309,0.329578548669815,1.42495572566986
InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3,3.26630520820618,5.86555194854736,14.113076210022,0.0023641767911613,6.91652059555054,0.0830484554171562,4.58894443511963,11.9989995956421,0.427373141050339,-0.370959162712097,3.04469132423401,0.467950224876404,1.59911251068115,0.271261632442474,1.36082363128662,0.117183797061443,0.571283340454102,0.321590036153793,1.39593124389648
InChI%3D1S%2FC10H10O%2Fc1-3-10%282%2C11%299-7-5-4-6-8-9%2Fh1%2C4-8%2C11H%2C2H3,7.61092376708984,9.17902278900146,15.9949169158936,0.148133158683777,28.8766937255859,0.0801472738385201,4.98829174041748,11.8500003814697,0.288757354021072,-0.373218804597855,14.8266134262085,0.52804708480835,4.80321884155273,0.609994828701019,1.39291000366211,0.223321527242661,0.566244602203369,0.298618286848068,2.19771027565002
InChI%3D1S%2FC12H22O4%2Fc1-3-5-9-15-11%2813%297-8-12%2814%2916-10-6-4-2%2Fh3-10H2%2C1-2H3,14.3049001693726,7.23533821105957,15.9979267120361,0.263066321611404,106.354804992676,0.0796148553490639,4.27622842788696,11.8900003433228,0.271187126636505,-0.316598922014236,51.0205383300781,0.443538993597031,9.28671264648438,1.13888251781464,1.45752727985382,0.236898511648178,0.565896153450012,0.448092132806778,3.87930488586426
InChI%3D1S%2FC13H10O2%2Fc14-10-11-6-8-13%289-7-11%2915-12-4-2-1-3-5-12%2Fh1-10H,12.1612815856934,8.46780109405518,15.9959211349487,0.149841725826263,49.5428161621094,0.0768168941140175,3.85910820960999,11.8500003814697,0.116549126803875,-0.310295164585114,24.3923988342285,0.417368680238724,9.80970287322998,0.934191882610321,1.28226339817047,0.354975491762161,0.570394515991211,0.294500201940536,1.41738665103912
InChI%3D1S%2FC9H18O2%2Fc1-2-3-4-5-6-7-8-9%2810%2911%2Fh2-8H2%2C1H3%2C%28H%2C10%2C11%29,14.1631097793579,7.37721395492554,15.9982604980469,0.278717786073685,37.2762718200684,0.0379988998174667,3.71683216094971,11.9962692260742,0.0564801953732967,-0.351374924182892,17.5918598175049,0.677958726882935,12.8249921798706,0.538182556629181,1.83492207527161,0.429140686988831,0.537576735019684,0.619386613368988,0.799935162067413
InChI%3D1S%2FC5H12N2%2Fc1-5-4-6-2-3-7-5%2Fh5-7H%2C2-4H2%2C1H3,4.72665643692017,7.56000661849976,14.0082683563232,0.0376436561346054,14.121994972229,0.149211257696152,5.71474409103394,11.9945917129517,0.331616878509521,-0.339821249246597,6.68257713317871,0.497763276100159,2.45394706726074,0.705270349979401,1.53001272678375,0.139378905296326,0.529620170593262,0.502629280090332,1.56743907928467
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3,6.90631151199341,7.40144920349121,15.9959182739258,0.120789863169193,16.523494720459,0.0136691089719534,4.66280746459961,11.8500003814697,0.226156309247017,-0.360495567321777,8.8430757522583,0.420354038476944,5.25000238418579,0.0944031327962875,1.06293475627899,0.320130944252014,0.5249342918396,0.117646485567093,1.56190598011017
InChI%3D1S%2FC13H11NO%2Fc15-11-14%2812-7-3-1-4-8-12%2913-9-5-2-6-10-13%2Fh1-11H,10.4461126327515,9.96988487243652,15.9949188232422,0.198354944586754,48.0663375854492,0.072015754878521,4.34008932113647,11.8500003814697,0.22591532766819,-0.283865362405777,24.600040435791,0.424466609954834,7.33389139175415,0.752284705638885,1.407310962677,0.276551693677902,0.528687298297882,0.454157084226608,2.35993695259094
InChI%3D1S%2FC6H13NO2%2Fc8-4-1-7-2-5-9-6-3-7%2Fh8H%2C1-6H2,6.32486438751221,7.99988031387329,15.9959182739258,0.142892464995384,20.477783203125,0.101014874875546,4.0648717880249,11.8999996185303,0.245570212602615,-0.394490122795105,10.0517864227295,0.50618988275528,4.13276052474976,0.63890540599823,1.39297664165497,0.240061178803444,0.516258776187897,0.370528012514114,1.55319833755493
InChI%3D1S%2FC4H11N%2Fc1-3-5-4-2%2Fh5H%2C3-4H2%2C1-2H3,5.49447536468506,6.02352094650269,14.0030755996704,0.0826112404465675,12.1055536270142,0.0745169818401337,4.87422800064087,11.8900003433228,0.134584322571754,-0.31650111079216,5.29540109634399,0.625807464122772,4.34557342529297,0.409431725740433,1.71047210693359,0.343174010515213,0.593481183052063,0.491183489561081,0.739470303058624
InChI%3D1S%2FC3H7ClO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2H2%2C1H3,3.35176277160645,6.69685029983521,34.9693794250488,0.116863012313843,7.43902635574341,0.136966228485107,4.4419960975647,11.9986352920532,0.297829300165176,-0.391045540571213,3.21909046173096,0.447509318590164,1.89443123340607,0.459078282117844,1.27969813346863,0.173903346061707,0.469826966524124,0.362361818552017,0.998253107070923
InChI%3D1S%2FC11H13NO%2Fc1-12%282%2911-7-5-10%286-8-11%294-3-9-13%2Fh3-9H%2C1-2H3%2Fb4-3-,10.876992225647,8.94346618652344,15.9949178695679,0.142648711800575,42.04248046875,0.0522325672209263,3.65735983848572,11.8500003814697,0.176985368132591,-0.298121273517609,21.9961757659912,0.561458230018616,8.38379096984863,0.568133234977722,1.52315831184387,0.32808655500412,0.579557299613953,0.382142812013626,1.92506837844849
InChI%3D1S%2FC9H17N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-8H2%2C1H3,12.3781042098999,7.35010242462158,14.0499582290649,0.289336770772934,31.0292167663574,0.0373803414404392,3.7514328956604,11.9530162811279,0.065332792699337,-0.436738669872284,14.4951839447021,0.721805155277252,11.1067094802856,0.462697744369507,1.84007394313812,0.42296513915062,0.525693118572235,0.592575669288635,0.808696091175079
InChI%3D1S%2FC6H10Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh5-6H%2C1-4H2%2Ft5-%2C6%3F%2Fm1%2Fs1,4.47992324829102,9.49198246002197,34.9701538085938,0.123499035835266,13.610387802124,0.187160566449165,6.44317722320557,11.9985628128052,0.384715527296066,-0.20925572514534,6.35883522033691,0.51704078912735,1.91796219348907,0.838464915752411,1.34387278556824,0.0710929334163666,0.465914636850357,0.360917329788208,1.7234959602356
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,8.00450706481934,8.32169437408447,15.9959192276001,0.137440055608749,26.1230792999268,0.0830758735537529,4.69335746765137,11.8500003814697,0.165040597319603,-0.360501110553741,12.8314418792725,0.363451063632965,6.01845693588257,0.664981365203857,1.36099779605865,0.313912630081177,0.522660732269287,0.474886029958725,1.32106864452362
InChI%3D1S%2FC5H10Cl2%2Fc6-4-2-1-3-5-7%2Fh1-5H2,5.93958187103271,7.3625373840332,34.9701538085938,0.094338059425354,13.7721509933472,0.0775483697652817,5.22077751159668,11.9985771179199,0.13001649081707,-0.218649610877037,6.15838813781738,0.736904978752136,4.70673322677612,0.460604876279831,1.81678426265717,0.344326347112656,0.491691827774048,0.588187456130981,0.772243559360504
InChI%3D1S%2FC4H6Cl2%2Fc1-2-4%286%293-5%2Fh2%2C4H%2C1%2C3H2,4.23012351989746,8.85850238800049,34.9701538085938,0.116578437387943,10.1537971496582,0.145506426692009,5.57759666442871,11.9985990524292,0.193608283996582,-0.213093981146812,4.51441287994385,0.444214940071106,2.79562640190125,0.615510165691376,1.18563508987427,0.245663970708847,0.541340112686157,0.200080066919327,0.81898695230484
InChI%3D1S%2FC5H4ClNO%2Fc6-4-1-2-5%288%297-3-4%2Fh1-3H%2C%28H%2C7%2C8%29,4.6927809715271,8.09144306182861,34.9688529968262,0.164587453007698,9.82364177703857,1.16785059400826e-09,4.54968404769897,11.9885931015015,0.369561940431595,-0.344721555709839,5.13086080551147,0.479122966527939,2.95850777626038,5.48046719117679e-09,1.27180290222168,0.222828552126884,0.450468927621841,0.342211008071899,1.73427319526672
InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh1%2C5H%2C3-4H2,4.25937128067017,5.73300457000732,15.9979419708252,0.0800184085965157,8.28240776062012,0.0675370469689369,3.72285532951355,11.9964618682861,0.159526228904724,-0.420240730047226,3.37952733039856,0.501691937446594,3.29222440719604,0.287665337324142,1.27335453033447,0.32970255613327,0.408042311668396,0.36362025141716,0.679481387138367
InChI%3D1S%2FC6H6ClN%2Fc1-5-3-2-4-6%287%298-5%2Fh2-4H%2C1H3,5.50554752349854,8.18549728393555,34.9693794250488,0.200466632843018,13.0498914718628,0.0203346312046051,5.84589815139771,11.9985628128052,0.30540531873703,-0.233947038650513,6.84556198120117,0.411656498908997,3.71217060089111,0.111953280866146,1.16010653972626,0.255695015192032,0.60559356212616,0.142856493592262,1.68142354488373
InChI%3D1S%2FC9H7N%2Fc1-2-6-9-8%284-1%295-3-7-10-9%2Fh1-7H,6.70148611068726,8.71707153320312,14.0030784606934,0.126229405403137,16.3272762298584,1.39077305227886e-09,6.56544923782349,11.8500003814697,0.311149597167969,-0.255668431520462,9.6257905960083,0.538698196411133,4.6163215637207,9.32024590838409e-09,1.39854836463928,0.266637802124023,0.557603716850281,0.302246510982513,2.08516454696655
InChI%3D1S%2FC10H14O%2Fc1-10%282%2C3%298-4-6-9%2811%297-5-8%2Fh4-7%2C11H%2C1-3H3,7.83678197860718,9.57010555267334,15.9949169158936,0.106894448399544,30.8345184326172,0.105162777006626,4.79066801071167,11.8500003814697,0.231805816292763,-0.360427260398865,15.2185583114624,0.524911642074585,5.19603252410889,0.82413774728775,1.27860379219055,0.247273549437523,0.481276571750641,0.272415637969971,1.8166116476059
InChI%3D1S%2FC6H12O3%2Fc1-3-8-4-5-9-6%282%297%2Fh3-5H2%2C1-2H3,7.19414091110229,6.07047367095947,16.0061416625977,0.33214259147644,26.8996429443359,0.0856971144676208,3.62887740135193,11.9886980056763,0.309076845645905,-0.378591358661652,13.736701965332,0.549009740352631,4.35408163070679,0.616517126560211,1.47862279415131,0.203919544816017,0.541531920433044,0.388081133365631,2.22354221343994
InChI%3D1S%2FC7H8N2O%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H2%2C9%2C10%29,6.23755836486816,8.85388088226318,15.9949178695679,0.166067123413086,20.9604911804199,0.0814322829246521,4.98258543014526,11.9935121536255,0.361305147409439,-0.344705373048782,10.7439279556274,0.469921290874481,3.47595763206482,0.507938623428345,1.21024858951569,0.167946934700012,0.553281545639038,0.187045753002167,2.25366187095642
InChI%3D1S%2FC11H17O3P%2Fc1-3-13-15%2812%2C14-4-2%2910-11-8-6-5-7-9-11%2Fh5-9H%2C3-4%2C10H2%2C1-2H3,12.2010326385498,8.3226957321167,30.973762512207,0.320918828248978,100.985893249512,0.131458431482315,3.87191486358643,11.8900003433228,0.375992774963379,-0.30662602186203,44.5660591125488,0.436690330505371,6.00960397720337,1.603928565979,1.25019979476929,0.11941159516573,0.432870030403137,0.380639404058456,4.58750009536743
InChI%3D1S%2FC6H14O%2Fc1-5%282%297-6%283%294%2Fh5-6H%2C1-4H3,6.1891016960144,6.86320829391479,15.9949159622192,0.12616890668869,20.9199237823486,0.129341691732407,5.35393857955933,11.8900003433228,0.239195466041565,-0.37531965970993,10.0993175506592,0.572662949562073,3.90818786621094,0.800508856773376,1.75885200500488,0.223597139120102,0.66063392162323,0.525555193424225,1.48040509223938
InChI%3D1S%2FC7H7NO2.ClH%2Fc9-7%2810%296-8-4-2-1-3-5-8%3B%2Fh1-5H%2C6H2%3B1H,,8.00517654418945,34.9688529968262,0.368083477020264,,,2.72999596595764,11.9885187149048,,-0.393361181020737,,,,,,,,,
InChI%3D1S%2FC3H6Cl2%2Fc4-2-1-3-5%2Fh1-3H2,3.22625875473022,7.08301687240601,34.9701538085938,0.0956682488322258,7.23074102401733,0.212866052985191,5.1681809425354,11.9986352920532,0.231869727373123,-0.218368798494339,3.08414316177368,0.603298723697662,1.79142606258392,0.68676096200943,1.72181987762451,0.166448161005974,0.576313674449921,0.542207539081573,0.748071789741516
InChI%3D1S%2FC6H5NO3%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4%2C8H,5.60738468170166,7.58163452148438,15.9987030029297,0.188699692487717,14.7617406845093,0.0268110111355782,3.54940629005432,11.9963550567627,0.406826913356781,-0.40559595823288,8.0651798248291,0.452834278345108,3.17581009864807,0.150339648127556,1.0850567817688,0.174771562218666,0.498889178037643,0.13333335518837,2.28123497962952
InChI%3D1S%2FC7H14O%2Fc1-3-4-5-6-7%282%298%2Fh3-6H2%2C1-2H3,8.32064723968506,7.09377241134644,16.0059242248535,0.215291455388069,22.4546127319336,0.0760771930217743,4.05638122558594,11.9886627197266,0.099419504404068,-0.38516029715538,10.5415239334106,0.417050987482071,6.86040115356445,0.633011519908905,1.33762776851654,0.368377476930618,0.560098230838776,0.360478579998016,0.827234625816345
InChI%3D1S%2FC6H4Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H,4.59806489944458,9.18192768096924,34.9701538085938,0.14216260612011,9.86778354644775,6.77366329693285e-10,6.3706693649292,11.9985628128052,0.472635209560394,-0.17264024913311,5.26971864700317,0.557393431663513,2.42485761642456,3.11457437618401e-09,1.46734356880188,0.145523592829704,0.481742054224014,0.42820805311203,2.1732075214386
InChI%3D1S%2FC4H10O%2Fc1-2-3-4-5%2Fh5H%2C2-4H2%2C1H3,4.71366357803345,5.99101161956787,15.9979419708252,0.0696477368474007,9.90641498565674,0.0886440053582191,3.78771948814392,11.9964618682861,0.139791563153267,-0.421714127063751,4.19141960144043,0.643159151077271,3.63689494132996,0.417838007211685,1.69016337394714,0.328673332929611,0.51371443271637,0.533289849758148,0.658930420875549
InChI%3D1S%2FC7H6O3%2Fc8-4-5-1-2-6%289%293-7%285%2910%2Fh1-4%2C9-10H,6.09964656829834,7.94394588470459,15.9987030029297,0.152376666665077,14.453911781311,2.83519430155366e-09,3.86860513687134,11.996319770813,0.340446531772614,-0.38562023639679,8.3542652130127,0.522680759429932,4.02304315567017,1.72936829301307e-08,1.22927975654602,0.24466510117054,0.517216682434082,0.189382299780846,2.07660341262817
InChI%3D1S%2FC5H10O%2Fc1-3-5%286%294-2%2Fh3-4H2%2C1-2H3,4.87643623352051,6.38851642608643,15.9949159622192,0.132157161831856,12.4126501083374,0.152285844087601,4.11524677276611,11.8900003433228,0.155767887830734,-0.299207359552383,5.63286876678467,0.503163635730743,3.37423205375671,0.742612242698669,1.41633379459381,0.268959701061249,0.575653314590454,0.337516874074936,0.759592235088348
InChI%3D1S%2FC9H16ClNO2%2Fc10-6-7-13-9%2812%2911-8-4-2-1-3-5-8%2Fh8H%2C1-7H2%2C%28H%2C11%2C12%29,9.4403772354126,8.67341327667236,34.9693794250488,0.278651922941208,42.3194236755371,0.0969488993287086,4.90439653396606,11.9985370635986,0.2128626704216,-0.325788140296936,20.8957023620605,0.447374314069748,6.51563882827759,0.91523414850235,1.43889486789703,0.267641305923462,0.545577645301819,0.445942848920822,2.00950384140015
InChI%3D1S%2FC7H5FO%2Fc8-7-4-2-1-3-6%287%295-9%2Fh1-5H,19.5820331573486,7.6043815612793,19.0001335144043,0.166008695960045,284.356536865234,0.106098845601082,3.78371405601501,11.9974966049194,0.368070304393768,-0.297297269105911,110.582824707031,0.464523524045944,10.2968378067017,2.07763123512268,1.35877394676208,0.144373133778572,0.528855502605438,0.365394920110703,7.20756530761719
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%2C1H3,16.3667640686035,8.89218139648438,14.0030822753906,0.0997109711170197,139.54753112793,0.0889158323407173,5.12837696075439,11.8500003814697,0.224845260381699,-0.302499800920486,63.0320167541504,0.501246213912964,11.2315101623535,1.45526444911957,1.40658068656921,0.264679193496704,0.375242352485657,0.530092179775238,3.67998933792114
InChI%3D1S%2FC7H12O2%2Fc1-5%282%297%288%299-6%283%294%2Fh6H%2C1H2%2C2-4H3,8.07658767700195,7.46038627624512,15.9959182739258,0.288558930158615,29.3774528503418,0.0989842414855957,4.44086980819702,11.8900003433228,0.183951690793037,-0.309329837560654,14.4220809936523,0.530000567436218,5.79143095016479,0.799454927444458,1.61563813686371,0.287798047065735,0.671802937984467,0.413834631443024,1.48570203781128
InChI%3D1S%2FC8H10%2Fc1-7-5-3-4-6-8%287%292%2Fh3-6H%2C1-2H3,5.96401977539062,8.13570690155029,12.1101140975952,0.0666793137788773,16.6639556884766,0.0292960219085217,6.0765175819397,11.8900003433228,0.424530774354935,-0.153572678565979,9.25893115997314,0.602347791194916,3.25738787651062,0.17472206056118,1.39095282554626,0.159629911184311,0.566383242607117,0.222221717238426,2.53190994262695
InChI%3D1S%2FC9H11N%2Fc1-2-8-10-9-6-4-3-5-7-9%2Fh2-7%2C10H%2C1%2C8H2,9.44439601898193,8.47588157653809,14.0030784606934,0.0980693697929382,26.2505359649658,0.0322174876928329,5.19676876068115,11.8500003814697,0.146852076053619,-0.284654825925827,13.5342350006104,0.386263608932495,7.75319194793701,0.304274708032608,1.09072661399841,0.365697830915451,0.530907690525055,0.173555374145508,1.38692903518677
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%29,11.4185476303101,8.80163097381592,15.9969244003296,0.283412516117096,68.9340286254883,0.0703367218375206,4.71490955352783,11.8900003433228,0.377141118049622,-0.340509951114655,35.6947937011719,0.427237182855606,6.30900049209595,0.803143262863159,1.41912126541138,0.164391607046127,0.498416185379028,0.493467897176743,4.30640411376953
InChI%3D1S%2FC9H18O%2Fc1-3-4-5-6-7-8-9%282%2910%2Fh3-8H2%2C1-2H3,11.1340579986572,7.36792278289795,16.0059261322021,0.215304791927338,38.9974899291992,0.0547091513872147,4.08610391616821,11.9886016845703,0.132274389266968,-0.385162055492401,19.7426929473877,0.481074154376984,9.05217266082764,0.609134912490845,1.45832180976868,0.359762340784073,0.589765131473541,0.387482464313507,1.47275066375732
InChI%3D1S%2FC7H8FN%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C9H%2C1H3,6.42352437973022,7.95075607299805,18.9984035491943,0.123531676828861,15.9254417419434,0.0176819264888763,3.94660615921021,11.8500003814697,0.267466127872467,-0.291520714759827,8.60586166381836,0.470276862382889,4.59186887741089,0.113580293953419,1.11988079547882,0.286138951778412,0.546531617641449,0.103072300553322,1.71807539463043
InChI%3D1S%2FC8H18O%2Fc1-2-3-4-5-6-7-8-9%2Fh9H%2C2-8H2%2C1H3,11.9302539825439,7.22929811477661,15.9979429244995,0.0697074830532074,30.9716491699219,0.0436516217887402,3.93580436706543,11.9962921142578,0.068136177957058,-0.421719342470169,14.555552482605,0.613440334796906,10.5965967178345,0.520774960517883,1.71301782131195,0.416159152984619,0.558563649654388,0.541013836860657,0.812881886959076
InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-4-2-1-3-6%287%295-12%2Fh1-4H,6.16701698303223,8.24088668823242,19.0012531280518,0.437967896461487,17.0115203857422,0.0233051236718893,3.6015739440918,11.9974756240845,0.393081724643707,-0.256286203861237,9.59054088592529,0.471215099096298,3.59915208816528,0.143723085522652,1.1769654750824,0.187709853053093,0.580750405788422,0.125,2.42414164543152
InChI%3D1S%2FC10H14%2Fc1-3-9-6-5-7-10%284-2%298-9%2Fh5-8H%2C3-4H2%2C1-2H3,17.8509979248047,8.60220146179199,12.1101551055908,0.0653229877352715,96.4881210327148,0.0536050274968147,5.55825710296631,11.8900003433228,0.121437668800354,-0.156960904598236,48.0894660949707,0.445537745952606,14.7263107299805,0.956903219223022,1.15550243854523,0.368717968463898,0.310569405555725,0.399395227432251,2.16778349876404
InChI%3D1S%2FC6H3Cl3%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H,4.8766622543335,9.66638374328613,34.9710578918457,0.122722916305065,10.7709474563599,2.05222194793464e-09,6.24842214584351,11.9985628128052,0.453612804412842,-0.178206905722618,5.89428567886353,0.541830003261566,2.66454577445984,1.00079935450026e-08,1.45346975326538,0.15979041159153,0.438506454229355,0.473133355379105,2.21211647987366
InChI%3D1S%2FC10H15N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh5-9H%2C3-4H2%2C1-2H3,7.93253517150879,9.21965503692627,14.0030794143677,0.0982054993510246,32.8038673400879,0.0851489007472992,5.67410945892334,11.8500003814697,0.316630065441132,-0.275125682353973,16.8207206726074,0.621833205223083,4.74540948867798,0.675446629524231,1.65806078910828,0.198665782809258,0.51967191696167,0.516555666923523,2.51167893409729
InChI%3D1S%2FC7H9N%2Fc1-8-7-5-3-2-4-6-7%2Fh2-6%2C8H%2C1H3,6.31048679351807,7.96213102340698,14.003077507019,0.0980281308293343,15.5316877365112,0.018001239746809,5.28008937835693,11.8500003814697,0.269602984189987,-0.29151451587677,8.35236644744873,0.467176735401154,4.49556398391724,0.113596580922604,1.13233077526093,0.284296840429306,0.561526417732239,0.103627644479275,1.70132613182068
InChI%3D1S%2FC5H8O2%2Fc1-4%286%293-5%282%297%2Fh3H2%2C1-2H3,5.12203693389893,6.70650625228882,16.0060234069824,0.221606507897377,12.870189666748,0.130678653717041,3.97800970077515,11.9887399673462,0.151702165603638,-0.383721083402634,5.83645725250244,0.337569177150726,3.67567205429077,0.669340908527374,1.34788751602173,0.288214385509491,0.564368188381195,0.44595018029213,0.77702409029007
InChI%3D1S%2FC6H6N2O2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H%2C7H2,6.36048221588135,7.48272562026978,16.0168724060059,0.175351724028587,14.5708179473877,0.0010033140424639,3.50417947769165,11.9989995956421,0.278511226177216,-0.32289645075798,8.15853023529053,0.497243583202362,4.58263492584229,0.00638156104832888,1.24185085296631,0.29036408662796,0.507491886615753,0.237115368247032,1.77146577835083
InChI%3D1S%2FC6H15N%2Fc1-2-3-4-5-6-7%2Fh2-7H2%2C1H3,7.77861261367798,6.97139120101929,14.0090990066528,0.0270948354154825,20.5475463867188,0.0774716660380363,4.71817922592163,11.9935512542725,0.106749907135963,-0.363881945610046,9.59360218048096,0.446202009916306,6.3456244468689,0.602622091770172,1.38795709609985,0.361833810806274,0.579818964004517,0.361936122179031,0.830366134643555
InChI%3D1S%2FC20H30O2%2Fc1-5-18%282%2912-9-15-14%2813-18%297-8-16-19%2815%2C3%2910-6-11-20%2816%2C4%2917%2821%2922%2Fh5%2C7%2C15-16H%2C1%2C6%2C8-13H2%2C2-4H3%2C%28H%2C21%2C22%29%2Ft15-%2C16%2B%2C18-%2C19%2B%2C20%2B%2Fm0%2Fs1,15.2691345214844,12.8628530502319,15.9982643127441,0.284860253334045,158.518524169922,0.131827116012573,4.91467428207397,11.996150970459,0.28412851691246,-0.350782364606857,65.3724899291992,0.0927826091647148,8.91785144805908,2.0128858089447,1.14650022983551,0.188033267855644,0.528354048728943,0.525363624095917,4.33839654922485
InChI%3D1S%2FC6H2Cl4O2%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh11-12H,6.0020751953125,10.8218250274658,34.9720077514648,0.172368913888931,14.9581470489502,3.87627957509906e-10,5.81106233596802,11.9985628128052,0.46268692612648,-0.356735676527023,8.95607089996338,0.492169797420502,3.22499346733093,2.32657226817423e-09,1.21730756759644,0.152984797954559,0.517208814620972,0.207929000258446,2.77708196640015
InChI%3D1S%2FC13H22N.ClH%2Fc1-4-14%285-2%2C6-3%2912-13-10-8-7-9-11-13%3B%2Fh7-11H%2C4-6%2C12H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1,,11.1323480606079,34.9688529968262,0.135636687278748,,,2.34299731254578,11.8500003814697,,-0.343211859464645,,,,,,,,,
InChI%3D1S%2FC7H10%2Fc1-2-7-4-3-6%281%295-7%2Fh1-2%2C6-7H%2C3-5H2,4.04922342300415,8.06689453125,12.1001043319702,0.0690847784280777,11.8675622940063,0.278097450733185,7.01949977874756,11.8999996185303,0.340160757303238,-0.131820812821388,5.42079734802246,0.507978677749634,1.54575777053833,1.12607872486115,1.4435338973999,0.0363063365221024,0.512798249721527,0.422757059335709,1.37738692760468
InChI%3D1S%2FC6H14S%2Fc1-3-5-7-6-4-2%2Fh3-6H2%2C1-2H3,8.94394588470459,8.60607528686523,31.9720706939697,0.0547177717089653,23.8872623443604,0.0611768774688244,5.5175576210022,11.8900003433228,0.0996425598859787,-0.166103795170784,11.2833671569824,0.458375960588455,7.50558567047119,0.547162652015686,1.42697513103485,0.379385411739349,0.62396115064621,0.344638049602509,0.891197681427002
InChI%3D1S%2FC3H6O2%2Fc1-3%284%295-2%2Fh1-2H3,4.23112392425537,5.00044202804565,16.0060234069824,0.331820487976074,7.83884143829346,0.0682332366704941,3.37969017028809,11.9888439178467,0.134211122989655,-0.339917063713074,3.05447864532471,0.341555863618851,3.37455677986145,0.288703292608261,1.41814851760864,0.348166733980179,0.712993323802948,0.363599330186844,0.567863881587982
InChI%3D1S%2FC9H12O%2Fc1-6-4-5-7%282%299%2810%298%286%293%2Fh4-5%2C10H%2C1-3H3,7.60215187072754,8.68446159362793,15.9949169158936,0.0835792496800423,24.1661758422852,0.0281710606068373,5.38011932373047,11.8900003433228,0.335566580295563,-0.35987377166748,13.9214458465576,0.502969086170197,4.83696317672729,0.214160680770874,1.33085417747498,0.227196767926216,0.555167615413666,0.272717505693436,2.55102825164795
InChI%3D1S%2FC5H8O%2Fc1-3-4-5%282%296%2Fh1%2C5-6H%2C4H2%2C2H3,4.30275917053223,6.41752862930298,15.9979419708252,0.0879018306732178,11.8030662536621,0.181577682495117,4.29760646820068,11.9964008331299,0.256081193685532,-0.417025774717331,5.41734600067139,0.505768656730652,2.4196183681488,0.781285047531128,1.18961429595947,0.171755835413933,0.382280021905899,0.301565587520599,1.10185575485229
InChI%3D1S%2FC5H10O%2Fc1-3-5%282%294-6%2Fh4-5H%2C3H2%2C1-2H3,34.1459732055664,7.16225337982178,16.0059242248535,0.208758264780045,174.424331665039,0.0276019182056189,3.60753273963928,11.9887399673462,0.0522986277937889,-0.388802200555801,87.3994140625,0.502864420413971,31.4176921844482,0.94249439239502,1.50684058666229,0.440074592828751,0.582770228385925,0.421205908060074,1.78578758239746
InChI%3D1S%2FC7H6N2O3%2Fc8-7%2810%295-1-3-6%284-2-5%299%2811%2912%2Fh1-4H%2C%28H2%2C8%2C10%29,7.74412822723389,8.34475803375244,16.0169315338135,0.205294340848923,18.9744777679443,0.00471173226833344,3.53175282478333,11.9989995956421,0.230239868164062,-0.28025895357132,10.8449001312256,0.509587824344635,5.92463302612305,0.0364882573485374,1.27035999298096,0.323786288499832,0.514873325824738,0.245898857712746,1.78300702571869
InChI%3D1S%2FC8H11N%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6H%2C2%2C9H2%2C1H3,7.59965467453003,8.26588344573975,14.0030784606934,0.099585048854351,22.2825775146484,0.0539524704217911,5.48162984848022,11.8500003814697,0.190802007913589,-0.302470207214355,11.2704906463623,0.423919886350632,5.73960494995117,0.410020142793655,1.28734469413757,0.316434144973755,0.546329021453857,0.317095726728439,1.45002937316895
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3%2B,7.81043767929077,6.84802627563477,15.9979429244995,0.0729465186595917,20.3694877624512,0.0843250155448914,3.94857621192932,11.9963550567627,0.0944598242640495,-0.421240419149399,9.44240951538086,0.421695172786713,6.41404962539673,0.658615291118622,1.38520467281342,0.365911364555359,0.589970171451569,0.373539298772812,0.737772583961487
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%2C1-2H3,18.3711395263672,12.2949371337891,34.9688529968262,0.219341933727264,272.215728759766,0.137746259570122,5.31878805160522,11.8500003814697,0.350654810667038,-0.322603493928909,100.630935668945,0.463102757930756,9.39865493774414,2.53055548667908,1.22069263458252,0.13369919359684,0.339839726686478,0.417750179767609,6.44192838668823
InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H,4.58359575271606,6.71390008926392,15.9949159622192,0.104978062212467,9.68499279022217,1.57690260849108e-09,4.59418439865112,11.8500003814697,0.415239036083221,-0.360415607690811,5.10139751434326,0.49046778678894,2.68030786514282,7.22788406903874e-09,1.35965597629547,0.188570722937584,0.49190679192543,0.377281457185745,1.90328788757324
InChI%3D1S%2FC15H26O%2Fc1-6-15%285%2C16%2912-8-11-14%284%2910-7-9-13%282%293%2Fh6%2C9%2C11%2C16H%2C1%2C7-8%2C10%2C12H2%2C2-5H3%2Fb14-11%2B,19.3217277526855,9.06598377227783,15.9949188232422,0.0808378756046295,118.758972167969,0.059340238571167,5.62172222137451,11.8900003433228,0.11943044513464,-0.385509252548218,57.4548988342285,0.440642178058624,15.8675699234009,1.14655601978302,1.35231792926788,0.365921974182129,0.552490770816803,0.359184980392456,2.30760264396667
InChI%3D1S%2FC12H11NO3S%2Fc14-17%2815%2C16%2912-7-4-8-13%2810-12%299-11-5-2-1-3-6-11%2Fh1-8%2C10H%2C9H2,10.6783275604248,,,,57.9010696411133,0.106650970876217,,,0.222091019153595,,27.8632049560547,0.506530940532684,7.16791248321533,1.13885390758514,1.43849074840546,0.253443509340286,0.541323184967041,0.390636622905731,2.37156057357788
InChI%3D1S%2FC6H10%2Fc1-5%282%296%283%294%2Fh1%2C3H2%2C2%2C4H3,5.16734170913696,7.87297344207764,12.1100749969482,0.0627245530486107,13.2720890045166,0.0385034643113613,5.8886251449585,11.8900003433228,0.386762052774429,-0.157858908176422,6.92384958267212,0.513468205928802,2.96984934806824,0.198960557579994,1.38068044185638,0.18105086684227,0.617207765579224,0.250004470348358,1.99853157997131
InChI%3D1S%2FC4H5NO%2Fc1-4-2-6-3-5-4%2Fh2-3H%2C1H3,3.98107099533081,6.88750457763672,15.9949159622192,0.121953845024109,10.2815971374512,0.172077670693398,5.24761152267456,11.9946517944336,0.272567749023438,-0.36397385597229,4.65702772140503,0.446371793746948,2.21090602874756,0.685053467750549,1.32974100112915,0.166515916585922,0.495963573455811,0.387405604124069,1.08511161804199
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%2C1-4H3,14.8634614944458,9.31742668151855,15.9992923736572,0.135624453425407,141.203414916992,0.117598965764046,4.34490728378296,11.9961957931519,0.285285502672195,-0.383938848972321,60.5587997436523,0.607529759407043,8.87520408630371,1.74792778491974,1.62748050689697,0.197836652398109,0.577698111534119,0.442252665758133,4.24032974243164
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InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,6.27086448669434,8.12963104248047,12.1500825881958,0.0900528952479362,18.3389129638672,0.0708043053746223,5.44758939743042,11.8500003814697,0.243496358394623,-0.210048526525497,9.15285110473633,0.432934492826462,4.29992771148682,0.444004207849503,1.34396553039551,0.264274507761002,0.568751096725464,0.342279940843582,1.52693271636963
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3-,7.81043767929077,6.84802627563477,15.9979429244995,0.0729465186595917,20.3694877624512,0.0843250155448914,3.94857621192932,11.9963550567627,0.0944598242640495,-0.421240419149399,9.44240951538086,0.421695172786713,6.41404962539673,0.658615291118622,1.38520467281342,0.365911364555359,0.589970171451569,0.373539298772812,0.737772583961487
InChI%3D1S%2FC6H12ClN.ClH%2Fc7-3-6-8-4-1-2-5-8%3B%2Fh1-6H2%3B1H,,8.21521663665771,34.9698524475098,0.0618951693177223,,,2.72999811172485,11.9945440292358,,-0.331501364707947,,,,,,,,,
InChI%3D1S%2FC3H9NO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2%2C4H2%2C1H3,3.84692716598511,6.14250564575195,15.9949159622192,0.0641403421759605,8.87682437896729,0.127220928668976,4.22549486160278,11.9937324523926,0.244594573974609,-0.391493380069733,3.91705226898193,0.373188614845276,2.41657996177673,0.489409655332565,1.29791367053986,0.221138373017311,0.540472209453583,0.384252816438675,0.940937519073486
InChI%3D1S%2FC8H14%2Fc1-7%282%295-6-8%283%294%2Fh5-6H%2C1-4H3,8.42811012268066,7.86130523681641,12.1101140975952,0.051541343331337,25.9646625518799,0.0338922962546349,5.97317028045654,11.8900003433228,0.224630072712898,-0.170885667204857,14.1570119857788,0.637312054634094,6.24925518035889,0.285647988319397,1.67554664611816,0.306108236312866,0.674599647521973,0.36363497376442,1.89320707321167
InChI%3D1S%2FC6H4Cl2O2%2Fc7-3-1-5%289%296%2810%292-4%283%298%2Fh1-2%2C9-10H,5.52962493896484,9.35482025146484,34.9698524475098,0.129278540611267,12.9944372177124,4.21352464030633e-09,5.07373285293579,11.9963550567627,0.423407316207886,-0.382145196199417,7.4648118019104,0.605598032474518,3.18834137916565,2.32992096727003e-08,1.38838982582092,0.182444512844086,0.508599579334259,0.274192184209824,2.34128355979919
InChI%3D1S%2FC9H13N%2Fc1-3-10-9-6-4-5-8%282%297-9%2Fh4-7%2C10H%2C3H2%2C1-2H3,9.36857128143311,8.59088325500488,14.0030784606934,0.104963958263397,30.1617488861084,0.0229316577315331,5.24283885955811,11.8500003814697,0.239336565136909,-0.288695514202118,17.4637985229492,0.457683354616165,6.91149282455444,0.21483688056469,1.26851689815521,0.303298830986023,0.579493165016174,0.23134046792984,2.24224185943604
InChI%3D1S%2FC14H26O4%2Fc1-3-17-13%2815%2911-9-7-5-6-8-10-12-14%2816%2918-4-2%2Fh3-12H2%2C1-2H3,13.0019054412842,7.57010507583618,15.9979286193848,0.262561798095703,101.282890319824,0.0873563513159752,4.19155120849609,11.8900003433228,0.423921138048172,-0.31689265370369,48.5011596679688,0.592886567115784,6.354323387146,1.13579905033112,1.61332261562347,0.116541877388954,0.553084909915924,0.467351078987122,5.5117826461792
InChI%3D1S%2FC3H2N2%2Fc4-2-1-3-5%2Fh1H2,2.7206597328186,5.48600435256958,14.0499820709229,0.301898568868637,4.79284524917603,0.0809535905718803,3.47409510612488,11.9530916213989,0.252853482961655,-0.432044297456741,1.79756808280945,0.677032709121704,1.81248438358307,0.220247179269791,1.40868425369263,0.249644696712494,0.445937216281891,0.28571429848671,0.687928318977356
InChI%3D1S%2FC10H14O%2Fc11-10-8-2-6-1-7%284-8%295-9%2810%293-6%2Fh6-9H%2C1-5H2,5.27164793014526,8.95203304290771,15.9949169158936,0.138891011476517,19.9440021514893,0.317915380001068,4.95555973052979,11.8999996185303,0.334463328123093,-0.298583328723907,9.2572660446167,0.495321661233902,1.83253693580627,1.67593801021576,1.3945689201355,0.0107159530743957,0.525809288024902,0.373437970876694,1.76317286491394
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-2-1-3-6%284-5%298%289%2910%2Fh1-4H,5.49427223205566,8.47513198852539,34.9688529968262,0.17543651163578,12.6239213943481,4.9097770897788e-06,3.59323811531067,11.9989995956421,0.3824123442173,-0.275389701128006,7.12945652008057,0.50480717420578,3.39316773414612,2.69756510533625e-05,1.19920408725739,0.213187053799629,0.524512052536011,0.169884786009789,2.10107755661011
InChI%3D1S%2FC6H5ClN2O2%2Fc7-5-3-4%289%2810%2911%291-2-6%285%298%2Fh1-3H%2C8H2,6.57536220550537,9.02013206481934,34.9688529968262,0.258154273033142,15.6096858978271,0.000910180737264454,3.64690613746643,11.8500003814697,0.292819291353226,-0.321188002824783,8.98081111907959,0.462299913167953,4.64398431777954,0.00598476780578494,1.20841288566589,0.27970290184021,0.515944004058838,0.230168968439102,1.92539286613464
InChI%3D1S%2FC2H5NO%2Fc1-2-3-4%2Fh2%2C4H%2C1H3,3.53595972061157,4.92025518417358,16.0009708404541,0.0287830177694559,5.82817268371582,0.0493592992424965,3.32190942764282,11.9989995956421,0.143975079059601,-0.332933604717255,2.03877472877502,0.305732280015945,2.8523371219635,0.174532502889633,1.08056378364563,0.354999214410782,0.552609264850616,0.222222208976746,0.509090065956116
InChI%3D1S%2FC7H5ClO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H,5.83344030380249,8.60982227325439,34.9688529968262,0.15244223177433,14.2044696807861,1.41127515007611e-07,3.9761528968811,11.996319770813,0.436726480722427,-0.385816127061844,8.37102222442627,0.522410929203033,3.28582143783569,8.23258915261249e-07,1.191122174263,0.172455027699471,0.517952561378479,0.15075871348381,2.54761791229248
InChI%3D1S%2FC10H23N%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh2-11H2%2C1H3,17.4510688781738,7.47441339492798,14.0091018676758,0.0271870028227568,49.1627082824707,0.0340834520757198,4.75523328781128,11.9934272766113,0.0486790724098682,-0.363887339830399,23.6237754821777,0.526248216629028,16.0067749023438,0.594792723655701,1.53701436519623,0.437928110361099,0.573276042938232,0.437490105628967,0.849501848220825
InChI%3D1S%2FC8H14O%2Fc1-3-5-6-7-8%289%294-2%2Fh2%2C8-9H%2C3%2C5-7H2%2C1H3,22.399974822998,7.27672100067139,15.9949169158936,0.214925944805145,193.888565063477,0.0263717006891966,4.42643976211548,11.6899995803833,0.29117551445961,-0.406575083732605,112.589553833008,0.448827177286148,15.2869253158569,0.590725421905518,1.30540096759796,0.261839598417282,0.38823127746582,0.468342572450638,6.5223240852356
InChI%3D1S%2FC13H29N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14%2Fh2-14H2%2C1H3,18.0552539825439,7.58093690872192,14.0091028213501,0.0272629335522652,203.673629760742,0.129032999277115,4.75739336013794,11.9933710098267,0.206586688756943,-0.363891303539276,81.379264831543,0.484823942184448,11.9955549240112,2.32972359657288,1.21037542819977,0.248285233974457,0.497148811817169,0.228402674198151,3.72997522354126
InChI%3D1S%2FC12H9NO3%2Fc14-13%2815%2910-6-8-12%289-7-10%2916-11-4-2-1-3-5-11%2Fh1-9H,12.1830005645752,8.42987060546875,15.9969253540039,0.212389141321182,50.3118133544922,0.0806547030806541,3.55461239814758,11.8500003814697,0.114522971212864,-0.360675722360611,24.6861553192139,0.367337971925735,9.80515098571777,0.982616305351257,1.18605828285217,0.353616744279861,0.566933751106262,0.251786530017853,1.39523351192474
InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3,5.09027242660522,7.85450315475464,15.9949159622192,0.216669589281082,15.2666826248169,0.142614424228668,4.61046981811523,11.6899995803833,0.264167457818985,-0.405012279748917,7.22873115539551,0.45747983455658,3.0196418762207,0.725946247577667,1.12117719650269,0.194913595914841,0.357751816511154,0.305945545434952,1.34468424320221
InChI%3D1S%2FC4H11N%2Fc1-2-3-4-5%2Fh2-5H2%2C1H3,4.73873567581177,6.30075788497925,14.0090980529785,0.0270443968474865,10.969934463501,0.105892442166805,4.59952354431152,11.9936571121216,0.16753762960434,-0.363880038261414,4.85955286026001,0.4571293592453,3.44302272796631,0.501796245574951,1.31438446044922,0.294927448034286,0.551519632339478,0.305735498666763,0.793916523456573
InChI%3D1S%2FC6H4Br2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H,4.74265050888062,10.9170436859131,78.91943359375,0.126745820045471,10.3082056045532,6.00387184412909e-10,7.40974998474121,11.9988508224487,0.44938325881958,-0.152127146720886,5.56555557250977,0.539861381053925,2.61138272285461,2.84742629474977e-09,1.30399346351624,0.162962555885315,0.45829963684082,0.305832505226135,2.13126754760742
InChI%3D1S%2FCHI3%2Fc2-1%283%294%2Fh1H,2.41754508018494,18.8230228424072,126.906509399414,0.166204184293747,4.86638307571411,0.28046378493309,12.8349380493164,11.9998950958252,0.359758764505386,-0.112350940704346,1.9359222650528,0.39997810125351,0.869778275489807,0.678033828735352,1.25729203224182,0.0198331028223038,0.399996310472488,0.457317590713501,0.869733035564423
InChI%3D1S%2FC2H3Cl2NO%2Fc3-1%284%292%285%296%2Fh1H%2C%28H2%2C5%2C6%29,3.18691301345825,8.594162940979,34.9701538085938,0.253015965223312,6.67840480804443,0.085367888212204,4.87499284744263,11.998706817627,0.440866529941559,-0.345596790313721,2.91435885429382,0.62714946269989,1.50984978675842,0.272060036659241,1.38084650039673,0.105324186384678,0.525775969028473,0.227921053767204,1.40500330924988
InChI%3D1S%2FC6H13NO%2Fc1-5-3-7-4-6%282%298-5%2Fh5-7H%2C3-4H2%2C1-2H3,5.89163541793823,7.26980113983154,15.9974184036255,0.0898892357945442,18.7427368164062,0.0986146256327629,5.56118726730347,11.9968357086182,0.29202675819397,-0.393833637237549,9.2623405456543,0.505137085914612,3.59011888504028,0.581001400947571,1.4192715883255,0.207018971443176,0.557995200157166,0.356139302253723,1.72051513195038
InChI%3D1S%2FC8H19N%2Fc1-7%282%2C3%296-8%284%2C5%299%2Fh6%2C9H2%2C1-5H3,6.48016500473022,9.1720142364502,14.0091009140015,0.0436648949980736,26.0311946868896,0.206285208463669,6.17645645141602,11.9934787750244,0.228570327162743,-0.358125895261765,12.2999029159546,0.511126697063446,3.66222929954529,1.33676218986511,1.55180382728577,0.173858344554901,0.561053335666656,0.479623764753342,1.48117339611053
InChI%3D1S%2FC8H8O3%2Fc1-11-8-4-6%285-9%292-3-7%288%2910%2Fh2-5%2C10H%2C1H3,7.44709396362305,7.98352813720703,15.9987030029297,0.149932414293289,22.0156955718994,0.011368278414011,3.87849545478821,11.9962921142578,0.382408529520035,-0.382980108261108,13.4801340103149,0.52008444070816,4.51460075378418,0.0846606343984604,1.18419218063354,0.204667389392853,0.558843672275543,0.105264000594616,2.84783220291138
InChI%3D1S%2FC8H8ClNO%2Fc1-6-7%289%293-2-4-8%286%2910-5-11%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%29,6.97371673583984,9.32845783233643,34.9688529968262,0.150641441345215,23.8172397613525,0.0508428364992142,4.17734622955322,11.9962921142578,0.402702808380127,-0.374627113342285,13.0489645004272,0.491483598947525,3.81081771850586,0.354563534259796,1.27310752868652,0.159840762615204,0.455186277627945,0.326437652111053,2.80833530426025
InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3,7.47280597686768,8.47796726226807,12.1500968933105,0.0986799597740173,22.9635448455811,0.0300077088177204,6.00395488739014,11.8500003814697,0.304972022771835,-0.201537132263184,12.9510593414307,0.498227447271347,4.96956729888916,0.22424179315567,1.35117089748383,0.248765200376511,0.570426285266876,0.28251713514328,2.27899670600891
InChI%3D1S%2FC7H12O2%2Fc1-4-7%288%299-5-6%282%293%2Fh4%2C6H%2C1%2C5H2%2C2-3H3,8.31078338623047,7.23842620849609,15.9959182739258,0.285376250743866,28.7777500152588,0.118719823658466,4.12049531936646,11.8900003433228,0.128118693828583,-0.312032699584961,13.8911476135254,0.51559990644455,6.25936222076416,0.986654758453369,1.34519100189209,0.314871102571487,0.493340224027634,0.336250811815262,1.06476676464081
InChI%3D1S%2FC8H16O2%2Fc1-3-4-5-6-7-10-8%282%299%2Fh3-7H2%2C1-2H3,12.2166881561279,7.07242822647095,16.0060253143311,0.332077264785767,31.1568222045898,0.0345388539135456,3.6886293888092,11.9886302947998,0.0737891867756844,-0.339882403612137,14.7966442108154,0.595900356769562,10.8932790756226,0.421950399875641,1.69211149215698,0.418753981590271,0.557793080806732,0.538417994976044,0.901459515094757
InChI%3D1S%2FC6H4N2O4%2Fc9-7%2810%295-1-2-6%284-3-5%298%2811%2912%2Fh1-4H,6.67086315155029,7.48527383804321,16.0169982910156,0.17549929022789,15.5159111022949,2.88999189024253e-07,3.50452566146851,11.9989995956421,0.273643374443054,-0.275414317846298,8.84503078460693,0.520197153091431,4.84542369842529,1.92787410924211e-06,1.34500408172607,0.294767260551453,0.49775293469429,0.327053964138031,1.82543754577637
InChI%3D1S%2FC3H6Br2%2Fc4-2-1-3-5%2Fh1-3H2,3.30048227310181,8.39598751068115,78.91943359375,0.0864428654313087,7.61942195892334,0.226201310753822,6.47030687332153,11.9988794326782,0.235565632581711,-0.195917189121246,3.28781867027283,0.546139419078827,1.77642869949341,0.746573448181152,1.71746027469635,0.15367479622364,0.573653340339661,0.597667574882507,0.777480185031891
InChI%3D1S%2FC7H7NO%2Fc1-6%289%297-2-4-8-5-3-7%2Fh2-5H%2C1H3,6.03053569793701,8.20725536346436,15.9949169158936,0.159854248166084,15.4971599578857,0.0287427082657814,4.41499614715576,11.8500003814697,0.291266798973083,-0.294051349163055,8.2181224822998,0.466873019933701,4.10070705413818,0.173333927989006,1.18905580043793,0.259992867708206,0.576474249362946,0.145708605647087,1.75649476051331
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,3.14097738265991,5.96626329421997,15.9974174499512,0.0796170309185982,6.52058362960815,0.091500535607338,5.1578631401062,11.9969358444214,0.384772956371307,-0.376168370246887,2.80822324752808,0.738163769245148,1.64501309394836,0.287401109933853,1.68989098072052,0.142794892191887,0.58813202381134,0.363595217466354,1.20856308937073
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%2C1-2H3,36.6702156066895,8.76800155639648,15.9979305267334,0.294326543807983,596.971923828125,0.0285958163440228,4.70089673995972,11.8900003433228,0.271054595708847,-0.312787026166916,292.622589111328,0.136207237839699,25.6819686889648,1.0486147403717,1.02137172222137,0.275262206792831,0.501214802265167,0.383949637413025,9.93962955474854
InChI%3D1S%2FC9H7NO2%2Fc1-12-9%2811%298-4-2-7%286-10%293-5-8%2Fh2-5H%2C1H3,9.48884201049805,8.39113426208496,15.9959201812744,0.29299122095108,25.1360301971436,0.0187853910028934,4.20208692550659,11.8500003814697,0.160688638687134,-0.315185248851776,13.5310821533203,0.435949176549911,7.78584098815918,0.1782516092062,1.26903295516968,0.365394473075867,0.513291835784912,0.319791942834854,1.52474915981293
InChI%3D1S%2FC9H15NO6%2Fc1-4-14-7%2811%2910%288%2812%2915-5-2%299%2813%2916-6-3%2Fh4-6H2%2C1-3H3,12.9441690444946,8.62694358825684,15.9999313354492,0.359514653682709,85.128173828125,0.0626795366406441,4.54246854782104,11.8900003433228,0.34935986995697,-0.303302735090256,44.2605209350586,0.480331689119339,7.61066150665283,0.811334550380707,1.36669325828552,0.190970450639725,0.473017334938049,0.413344234228134,4.5221734046936
InChI%3D1S%2FC7H5F4N%2Fc8-4-1-2-6%2812%295%283-4%297%289%2C10%2911%2Fh1-3H%2C12H2,6.14715385437012,7.88686323165894,19.0020351409912,0.438265264034271,16.9934902191162,0.0228553526103497,3.55239701271057,11.9974966049194,0.407276630401611,-0.302008122205734,9.61415767669678,0.545149385929108,3.5030665397644,0.140495359897614,1.22832834720612,0.177401021122932,0.555900931358337,0.127278044819832,2.50359225273132
InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-1-2-5%287%2810%2911%296%289%293-4%2Fh1-3H%2C%28H2%2C10%2C11%29,6.65743255615234,9.72506713867188,34.9701538085938,0.1665408462286,19.5591373443604,0.0473656244575977,5.1519603729248,11.9985513687134,0.276631236076355,-0.344655632972717,10.2881383895874,0.439147263765335,4.50044536590576,0.31533345580101,1.19802856445312,0.257002353668213,0.515462756156921,0.243418529629707,1.84165382385254
InChI%3D1S%2FC3H9N%2Fc1-2-3-4%2Fh2-4H2%2C1H3,3.3193953037262,5.67201805114746,14.0090980529785,0.0268030297011137,7.41253662109375,0.166711688041687,4.44107437133789,11.9937324523926,0.262119948863983,-0.36390745639801,3.18027520179749,0.460361689329147,1.89593362808228,0.553381979465485,1.38793623447418,0.178376287221909,0.595935821533203,0.331638783216476,0.870079696178436
InChI%3D1S%2FC7H7ClO%2Fc1-5-4-6%289%292-3-7%285%298%2Fh2-4%2C9H%2C1H3,5.96852397918701,8.8914909362793,34.9693794250488,0.123503752052784,15.5464763641357,0.0164480786770582,4.87362146377563,11.9985513687134,0.383413046598434,-0.360410183668137,8.7732515335083,0.494257718324661,3.58194327354431,0.0981707498431206,1.21916043758392,0.200104162096977,0.600123167037964,0.124779492616653,2.288409948349
InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2,6.52544784545898,7.85413932800293,16.0169315338135,0.190449684858322,16.3185482025146,0.00113750307355076,3.59796929359436,11.9989995956421,0.350203514099121,-0.383152961730957,9.72130107879639,0.508009076118469,4.23278999328613,0.00742271682247519,1.26408553123474,0.236494228243828,0.550370633602142,0.205705896019936,2.28523468971252
InChI%3D1S%2FC2H7NO%2Fc3-1-2-4%2Fh4H%2C1-3H2,3.08473992347717,5.19475555419922,15.9979419708252,0.0813468769192696,6.12586688995361,0.118279404938221,3.58742308616638,11.9966878890991,0.249522671103477,-0.419866919517517,2.49344563484192,0.50687301158905,1.95016622543335,0.364861190319061,1.34905183315277,0.224148452281952,0.571326553821564,0.270852237939835,0.769712507724762
InChI%3D1S%2FC11H16O%2Fc1-11%282%2C12%299-8-10-6-4-3-5-7-10%2Fh3-7%2C12H%2C8-9H2%2C1-2H3,10.2525463104248,8.81719779968262,15.9949178695679,0.0899344012141228,40.3165969848633,0.0836534947156906,5.29064178466797,11.8500003814697,0.146365791559219,-0.389826655387878,19.9039344787598,0.495093762874603,7.89426279067993,0.857661306858063,1.49400317668915,0.327485531568527,0.569848299026489,0.429061144590378,1.50062191486359
InChI%3D1S%2FC12H20O4%2Fc1-3-5-9-15-11%2813%297-8-12%2814%2916-10-6-4-2%2Fh7-8H%2C3-6%2C9-10H2%2C1-2H3,16.3331890106201,7.26684141159058,15.9979267120361,0.287212371826172,109.24146270752,0.035410612821579,4.36060333251953,11.8900003433228,0.298995435237885,-0.313240438699722,62.2024803161621,0.475499898195267,10.8712720870972,0.578368246555328,1.50569701194763,0.249195471405983,0.502447307109833,0.527749836444855,4.88354921340942
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InChI%3D1S%2FC4H8Cl2%2Fc5-3-1-2-4-6%2Fh1-4H2,4.03254699707031,7.22377252578735,34.9701538085938,0.0943723320960999,10.231032371521,0.198456972837448,5.20324659347534,11.9985990524292,0.20778001844883,-0.218639343976974,4.59294319152832,0.426235765218735,2.3943772315979,0.800287127494812,1.3924525976181,0.195322245359421,0.550213813781738,0.416002929210663,0.837882697582245
InChI%3D1S%2FC8H11N%2Fc1-3-8-5-4-7%282%299-6-8%2Fh4-6H%2C3H2%2C1-2H3,8.03827571868896,8.1200704574585,14.0142488479614,0.0941740274429321,23.2767429351807,0.061374943703413,5.44519567489624,11.988489151001,0.151657953858376,-0.324065566062927,11.433934211731,0.3978551030159,6.32585859298706,0.493348717689514,1.3349392414093,0.340225338935852,0.567410051822662,0.369674116373062,1.21906840801239
InChI%3D1S%2FC7H12O%2Fc1-5-7%284%2C8%296%282%293%2Fh1%2C6%2C8H%2C2-4H3,5.42794752120972,8.48325538635254,15.9949159622192,0.124991230666637,19.0588836669922,0.178272381424904,4.82799482345581,11.8900003433228,0.32069730758667,-0.377137184143066,9.0500431060791,0.53485643863678,2.71956610679626,0.967653095722198,1.39394307136536,0.125772729516029,0.370818495750427,0.488268107175827,1.74072802066803
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,5.26889085769653,7.38454151153564,15.9959182739258,0.248806267976761,11.6885690689087,4.43695398644195e-07,3.49059367179871,11.8500003814697,0.3630530834198,-0.132697328925133,6.41966390609741,0.520140469074249,3.35600113868713,2.33778246183647e-06,1.20382821559906,0.227709844708443,0.513671875,0.170015797019005,1.91288709640503
InChI%3D1S%2FC12H23N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-11H2%2C1H3,13.6080312728882,7.53557586669922,14.0499601364136,0.289353936910629,120.452110290527,0.106384076178074,3.75590395927429,11.9529848098755,0.394349992275238,-0.436739772558212,54.0632400512695,0.425815284252167,6.79402637481689,1.44767773151398,0.942218601703644,0.124449454247952,0.208065196871758,0.308338105678558,5.36632680892944
InChI%3D1S%2FC8H8O3%2Fc1-11-7-4-2-3-6%285-9%298%287%2910%2Fh2-5%2C10H%2C1H3,7.63054466247559,8.15995216369629,15.9987030029297,0.152553513646126,21.0887641906738,0.0110933436080813,3.92260479927063,11.9962921142578,0.290747255086899,-0.381922960281372,12.4577617645264,0.442298084497452,5.32733631134033,0.0846482515335083,1.05947482585907,0.273619562387466,0.511912882328033,0.105263836681843,2.21855974197388
InChI%3D1S%2FC6H4N2O5%2Fc9-6-3-4%287%2810%2911%291-2-5%286%298%2812%2913%2Fh1-3%2C9H,6.93680191040039,7.71954393386841,15.998927116394,0.260539203882217,19.196346282959,0.0192287787795067,3.55446863174438,11.8500003814697,0.310588121414185,-0.383063018321991,10.9235410690308,0.445972204208374,4.64892721176147,0.133386224508286,1.04993891716003,0.252637326717377,0.48619943857193,0.117767259478569,2.15448832511902
InChI%3D1S%2FC11H9N%2Fc1-2-4-10%285-3-1%2911-6-8-12-9-7-11%2Fh1-9H,8.78813362121582,9.3579044342041,14.0030794143677,0.149356514215469,28.835865020752,0.0408029966056347,6.11088800430298,11.8500003814697,0.219299405813217,-0.264014035463333,15.5541667938232,0.597471833229065,6.50231885910034,0.35858216881752,1.77015781402588,0.304923206567764,0.575738072395325,0.596947848796844,1.92723250389099
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,,12.1098175048828,31.9720726013184,0.284497112035751,,,-2.00572912945063e-06,11.9962329864502,,-0.347178131341934,,,,,,,,,
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,6.04980611801147,8.19418430328369,15.9949169158936,0.115795120596886,15.7759504318237,0.0307676568627357,6.25058889389038,11.8500003814697,0.294996231794357,-0.34482878446579,8.37111854553223,0.501390278339386,4.07899808883667,0.186138361692429,1.33032584190369,0.255677074193954,0.593668162822723,0.235267356038094,1.78467011451721
InChI%3D1S%2FC13H10O3%2Fc14-12-9-5-4-8-11%2812%2913%2815%2916-10-6-2-1-3-7-10%2Fh1-9%2C14H,9.53664493560791,8.92143154144287,15.9969244003296,0.300875604152679,58.1169357299805,0.185077294707298,4.89019393920898,11.8500003814697,0.241968497633934,-0.359632253646851,26.3257427215576,0.49436491727829,5.46406078338623,1.76501643657684,1.55710101127625,0.179715663194656,0.667920589447021,0.394815564155579,2.30756759643555
InChI%3D1S%2FC8H7BrO3%2Fc1-12-7-3-5%284-10%292-6%289%298%287%2911%2Fh2-4%2C11H%2C1H3,41.750244140625,10.2180671691895,78.9183349609375,0.150418162345886,587.088012695312,0.0574362389743328,4.07305860519409,11.9962921142578,0.0892256945371628,-0.380768597126007,227.083618164062,0.375756472349167,35.6270713806152,2.39797711372375,1.54864037036896,0.390003561973572,0.608572065830231,0.564311742782593,3.72519469261169
InChI%3D1S%2FC9H10O3%2Fc1-6%2810%298-4-3-7%2812-2%295-9%288%2911%2Fh3-5%2C11H%2C1-2H3,9.45334053039551,8.66328907012939,15.9969215393066,0.198079138994217,28.3679008483887,0.0155016416683793,4.52899837493896,11.8500003814697,0.225756466388702,-0.359957218170166,16.6713600158691,0.489894270896912,7.17264556884766,0.14654229581356,1.20418274402618,0.319056421518326,0.54584002494812,0.16844841837883,2.13415265083313
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2%2Fb2-1%2B,3.40789270401001,7.11486625671387,34.9701538085938,0.087548516690731,6.56432390213013,0.0819505006074905,5.25948715209961,11.9986352920532,0.220146894454956,-0.1925930082798,2.65810132026672,0.434697031974792,2.37837719917297,0.279278516769409,1.18125581741333,0.273426949977875,0.497304528951645,0.249254256486893,0.750237047672272
InChI%3D1S%2FC7H17N%2Fc1-2-3-4-5-6-7-8%2Fh2-8H2%2C1H3,19.1793632507324,7.14955997467041,14.0090999603271,0.0271169804036617,66.7474899291992,0.0421357303857803,4.73794317245483,11.9935121536255,0.0544568039476871,-0.363883316516876,32.943359375,0.512404501438141,17.3267803192139,0.808136463165283,1.27981770038605,0.427555590867996,0.238028630614281,0.529384613037109,1.04444682598114
InChI%3D1S%2FC7H9N%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5H%2C8H2%2C1H3,6.45843505859375,7.63714265823364,14.003077507019,0.099439449608326,15.5201473236084,0.015503135509789,5.48577499389648,11.8500003814697,0.249953776597977,-0.302466452121735,8.29491806030273,0.452304154634476,4.74399900436401,0.100125998258591,1.13370978832245,0.3009073138237,0.544404447078705,0.137001171708107,1.6143102645874
InChI%3D1S%2FC8H9NO%2Fc1-6%2810%297-3-2-4-8%289%295-7%2Fh2-5H%2C9H2%2C1H3,21.8067245483398,8.56313228607178,15.9949169158936,0.159697234630585,83.5498733520508,0.0145705444738269,4.50396490097046,11.8500003814697,0.0988474562764168,-0.302652716636658,48.5018272399902,0.518823027610779,19.3334484100342,0.317735850811005,1.07949888706207,0.414936512708664,0.208449348807335,0.352226495742798,2.15553903579712
InChI%3D1S%2FC12H17NO2%2Fc1-12%282%2C3%299-5-7-10%288-6-9%2915-11%2814%2913-4%2Fh5-8H%2C1-4H3%2C%28H%2C13%2C14%29,14.2144136428833,9.64867496490479,15.995922088623,0.283318012952805,64.5591735839844,0.0785880014300346,4.65603303909302,11.8900003433228,0.10187666118145,-0.325482547283173,31.50022315979,0.428977400064468,11.6492137908936,1.11708235740662,1.29941201210022,0.364651501178741,0.53659576177597,0.333838909864426,1.44811689853668
InChI%3D1S%2FC8H8O4%2Fc1-12-8%2811%296-3-2-5%289%294-7%286%2910%2Fh2-4%2C9-10H%2C1H3,9.10823249816895,8.50556945800781,15.999285697937,0.295569390058517,24.4431934356689,0.00881476048380136,4.43022203445435,11.9962921142578,0.208208233118057,-0.385130971670151,14.2491359710693,0.435292184352875,7.13153648376465,0.0802868902683258,1.05787920951843,0.337232738733292,0.522586703300476,0.100000292062759,1.896409034729
InChI%3D1S%2FC4H11N%2Fc1-3-4%282%295%2Fh4H%2C3%2C5H2%2C1-2H3,4.32413339614868,6.85258102416992,14.0090980529785,0.0347045995295048,10.8138847351074,0.11061879992485,5.0734691619873,11.9936571121216,0.272874504327774,-0.361151725053787,4.98513126373291,0.416063904762268,2.6658570766449,0.478330433368683,1.26504158973694,0.212380021810532,0.530938923358917,0.318038821220398,1.17994570732117
InChI%3D1S%2FC7H6O2.Na%2Fc8-7%289%296-4-2-1-3-5-6%3B%2Fh1-5H%2C%28H%2C8%2C9%29%3B%2Fq%3B%2B1%2Fp-1,,7.82828330993652,22.9897708892822,0.363328129053116,,,-1.52831478317239e-06,11.8500003814697,,-0.247221350669861,,,,,,,,,
InChI%3D1S%2FC7H4ClNO3%2Fc8-7-2-1-6%289%2811%2912%293-5%287%294-10%2Fh1-4H,6.63507986068726,9.04051208496094,34.9688529968262,0.175281956791878,16.8581962585449,1.25878568724147e-06,3.62026858329773,11.9989995956421,0.366630852222443,-0.302118569612503,10.2230310440063,0.520910501480103,4.20244646072388,8.35214359540259e-06,1.28822040557861,0.225025922060013,0.523966789245605,0.243343085050583,2.43262481689453
InChI%3D1S%2FC9H11NO2%2Fc1-2-12-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3,10.5227785110474,8.50494575500488,15.9959201812744,0.293239831924438,30.4978332519531,0.0153183760121465,4.54796075820923,11.8500003814697,0.176057547330856,-0.31220817565918,17.4340496063232,0.542061269283295,8.50897216796875,0.161191880702972,1.26664566993713,0.356468051671982,0.497878283262253,0.226706176996231,1.85261464118958
InChI%3D1S%2FC7H7NO2%2Fc8-7%2810%295-3-1-2-4-6%285%299%2Fh1-4%2C9H%2C%28H2%2C8%2C10%29,6.15594673156738,8.54413032531738,15.9982604980469,0.16710764169693,19.448673248291,0.0663130730390549,4.90514421463013,11.996319770813,0.353611499071121,-0.385485857725143,10.1195478439331,0.452852189540863,3.57091331481934,0.408219754695892,1.2267918586731,0.185056567192078,0.550228774547577,0.223710864782333,2.17681360244751
InChI%3D1S%2FC10H20O%2Fc1-3-4-5-6-7-8-9-10%282%2911%2Fh3-9H2%2C1-2H3,13.7339115142822,7.4465503692627,16.0059261322021,0.215311527252197,47.2082977294922,0.0603254400193691,4.09105682373047,11.9885759353638,0.0765292122960091,-0.38516291975975,23.1516590118408,0.422389507293701,11.854362487793,0.828504264354706,1.51867032051086,0.397359013557434,0.582598447799683,0.51368236541748,1.05104541778564
InChI%3D1S%2FC8H5Cl3O%2Fc1-4%2812%295-2-3-6%289%298%2811%297%285%2910%2Fh2-3H%2C1H3,7.28254365921021,10.6934432983398,34.9710578918457,0.161858201026917,22.2175807952881,0.0415212549269199,4.86371469497681,11.9985437393188,0.269466876983643,-0.293962955474854,11.9575357437134,0.410080105066299,5.01775932312012,0.302380353212357,1.18337345123291,0.266758918762207,0.533902287483215,0.239391043782234,1.96240425109863
InChI%3D1S%2FC7H6Cl2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4H%2C1H3,5.80131673812866,9.4958438873291,34.9701538085938,0.142387643456459,14.3395471572876,0.0180375836789608,6.13492918014526,11.9985513687134,0.325352877378464,-0.172599121928215,7.78588056564331,0.446360945701599,3.80920004844666,0.104641743004322,1.09685373306274,0.242457151412964,0.517159402370453,0.133333414793015,1.8874751329422
InChI%3D1S%2FC7H5NO3%2Fc9-5-6-3-1-2-4-7%286%298%2810%2911%2Fh1-5H,6.01081132888794,8.20138645172119,16.0169315338135,0.175942078232765,16.6992874145508,0.0267938412725925,3.64729332923889,11.9989995956421,0.419951021671295,-0.302103966474533,9.33653259277344,0.590338170528412,3.32551240921021,0.161052733659744,1.36157810688019,0.164941355586052,0.584936916828156,0.186303049325943,2.52424645423889
InChI%3D1S%2FC6H15N3%2Fc7-1-4-9-5-2-8-3-6-9%2Fh8H%2C1-7H2,6.67149305343628,8.30963134765625,14.0050830841064,0.11022837460041,23.7823333740234,0.133240133523941,4.89723062515259,11.8999996185303,0.22022607922554,-0.328877925872803,11.4775247573853,0.486502021551132,4.31334543228149,0.88891065120697,1.41593372821808,0.234900340437889,0.486273735761642,0.443158000707626,1.46923673152924
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,,9.56669998168945,126.904472351074,0.163071349263191,,,5.78999280929565,11.8500003814697,,-0.344098448753357,,,,,,,,,
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%2Fs1,13.3147983551025,12.8684463500977,15.9949197769165,0.0808208733797073,120.354873657227,0.191089883446693,5.73178386688232,11.8900003433228,0.212504386901855,-0.385532915592194,49.8723182678223,0.420425891876221,7.94102191925049,2.54432320594788,1.28663945198059,0.197304293513298,0.41915425658226,0.44705930352211,2.8294529914856
InChI%3D1S%2FC9H10O3%2Fc1-2-12-9%2811%297-5-3-4-6-8%287%2910%2Fh3-6%2C10H%2C2H2%2C1H3,10.2063121795654,8.60394382476807,15.998703956604,0.295819312334061,30.52463722229,0.0140936449170113,4.57270956039429,11.9962692260742,0.202045425772667,-0.385328590869904,17.9452152252197,0.467306941747665,8.00032901763916,0.143844127655029,1.2358683347702,0.337895691394806,0.586767673492432,0.181793719530106,2.06213879585266
InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh1%2C4H%2C3H2,3.18348121643066,4.7207555770874,15.9979419708252,0.12771825492382,5.54170751571655,0.0683073550462723,3.49963140487671,11.9965486526489,0.186279952526093,-0.406800657510757,2.0522153377533,0.407769501209259,2.37300729751587,0.217455178499222,1.15202045440674,0.309059500694275,0.46942862868309,0.274822264909744,0.593018710613251
InChI%3D1S%2FC13H10O%2Fc14-13%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,10.7669086456299,9.24098682403564,15.9949178695679,0.192894250154495,41.4468231201172,0.0597776994109154,5.38518095016479,11.8500003814697,0.163217976689339,-0.2876997590065,21.2174606323242,0.506540894508362,8.36593437194824,0.643621027469635,1.57416582107544,0.332753241062164,0.568277537822723,0.499347329139709,1.75735294818878
InChI%3D1S%2FC6H3Br3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,5.57643127441406,11.1521701812744,78.9204025268555,0.137113213539124,13.1974182128906,1.14619413960071e-09,6.3452467918396,11.9988508224487,0.429819464683533,-0.356754779815674,7.62098693847656,0.425571739673615,3.17957258224487,6.39167296867527e-09,1.0702383518219,0.17763540148735,0.459355413913727,0.185311213135719,2.39685869216919
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,4.05732154846191,6.39342927932739,12.1500539779663,0.0882962495088577,8.17278575897217,1.68189420723941e-10,6.09337520599365,11.8500003814697,0.499992787837982,-0.211758151650429,4.11546468734741,0.523446261882782,2.02869009971619,6.82398582085852e-10,1.63460409641266,0.125005409121513,0.523455679416656,0.58770215511322,2.02863144874573
InChI%3D1S%2FC2H5ClO%2Fc3-1-2-4%2Fh4H%2C1-2H2,2.49697661399841,6.0698094367981,34.9693794250488,0.114576399326324,4.83349370956421,0.169741973280907,3.81324791908264,11.998706817627,0.325044929981232,-0.39399915933609,1.90255618095398,0.454067766666412,1.2615053653717,0.423841774463654,1.57019197940826,0.128909826278687,0.757086575031281,0.359037607908249,0.811629593372345
InChI%3D1S%2FC11H12O2%2Fc1-9%282%2911%2812%2913-8-10-6-4-3-5-7-10%2Fh3-7H%2C1%2C8H2%2C2H3,13.7406177520752,8.42772769927979,15.9959201812744,0.288643419742584,69.3130035400391,0.0906019434332848,4.52101802825928,11.8500003814697,0.119526535272598,-0.30733922123909,33.3813743591309,0.481727838516235,10.8533229827881,1.2449266910553,1.34621834754944,0.342403650283813,0.387308359146118,0.477182179689407,1.64236843585968
InChI%3D1S%2FC4Cl6%2Fc5-1%283%287%298%292%286%294%289%2910,7.41171550750732,11.8670063018799,34.9739570617676,0.232119083404541,33.6935729980469,0.140893891453743,7.27336740493774,11.9985990524292,0.331107795238495,-0.143226534128189,16.2530269622803,0.483939111232758,3.91337323188782,1.04426550865173,1.38498413562775,0.145998731255531,0.624584078788757,0.276461005210876,2.45407676696777
InChI%3D1S%2FC8H18S%2Fc1-7%282%2C3%299-8%284%2C5%296%2Fh1-6H3,7.44046401977539,10.9665756225586,31.9720706939697,0.0927481204271317,31.8004188537598,0.178273350000381,7.41219234466553,11.8900003433228,0.204377859830856,-0.149546504020691,15.0948371887207,0.517308294773102,4.59336137771606,1.32643640041351,1.71352326869965,0.213011592626572,0.636684358119965,0.55953061580658,1.52066600322723
InChI%3D1S%2FC8H16O2%2Fc1-3-5-6-7-8%289%2910-4-2%2Fh3-7H2%2C1-2H3,10.0843334197998,7.13281869888306,15.9959182739258,0.261476516723633,36.3974533081055,0.0617323368787766,4.15400981903076,11.8900003433228,0.158791393041611,-0.31593582034111,18.4773082733154,0.418836653232574,7.86049842834473,0.622529447078705,1.36359238624573,0.33460721373558,0.54927122592926,0.395484507083893,1.60130524635315
InChI%3D1S%2FC6H14O%2Fc1-4-6%283%2C7%295-2%2Fh7H%2C4-5H2%2C1-3H3,5.43055105209351,8.11250305175781,15.9949159622192,0.0669812858104706,17.5574035644531,0.137086600065231,5.21048736572266,11.8900003433228,0.296386033296585,-0.389563649892807,8.44042778015137,0.502169549465179,3.07655549049377,0.744455814361572,1.33897769451141,0.174895510077477,0.50200366973877,0.334804475307465,1.60953950881958
InChI%3D1S%2FC6H12O2%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H%2C7%2C8%29,6.56766986846924,6.89701747894287,15.9982585906982,0.278705090284348,19.2438945770264,0.118516676127911,3.68244814872742,11.9963550567627,0.144519835710526,-0.35136878490448,9.10031318664551,0.41615155339241,4.84013271331787,0.778378427028656,1.40616858005524,0.302722603082657,0.598520696163177,0.391496390104294,0.949158549308777
InChI%3D1S%2FC10H11NO4%2Fc1-14-9%2812%296-3-4-7%288%2811%295-6%2910%2813%2915-2%2Fh3-5H%2C11H2%2C1-2H3,11.9255218505859,9.00253105163574,15.9992895126343,0.295080959796906,50.0016479492188,0.0558709651231766,4.48631858825684,11.9962491989136,0.165752455592155,-0.34601041674614,25.8505840301514,0.389992475509644,9.28254699707031,0.666290402412415,1.25283622741699,0.333782434463501,0.509051144123077,0.353792607784271,1.9766845703125
InChI%3D1S%2FC5H10O%2Fc1-4%282%295%283%296%2Fh4H%2C1-3H3,4.16114282608032,7.17425346374512,16.0059242248535,0.217477157711983,11.6541242599487,0.190957397222519,4.0960111618042,11.9887399673462,0.31184321641922,-0.384554028511047,5.35973453521729,0.443996220827103,2.06891775131226,0.794600963592529,1.31630980968475,0.122899547219276,0.502791285514832,0.369522333145142,1.29762411117554
InChI%3D1S%2FC4H8O2%2Fc1-3-6-4%282%295%2Fh3H2%2C1-2H3,5.5444278717041,5.37165546417236,16.0060234069824,0.33205172419548,11.9859323501587,0.0614451169967651,3.53932857513428,11.988787651062,0.142260536551476,-0.339879035949707,5.25514650344849,0.500550746917725,4.41499662399292,0.340678006410599,1.56530809402466,0.347220748662949,0.636383295059204,0.428374022245407,0.78875333070755
InChI%3D1S%2FC6H14O%2Fc1-2-3-4-5-6-7%2Fh7H%2C2-6H2%2C1H3,7.94303274154663,6.81652355194092,15.9979429244995,0.0696816220879555,18.4022998809814,0.0562588311731815,3.90619826316833,11.9963550567627,0.0913711562752724,-0.421716451644897,8.26349544525146,0.659933686256409,6.7704029083252,0.446865737438202,1.75733983516693,0.389277517795563,0.526016473770142,0.571389675140381,0.725764095783234
InChI%3D1S%2FC9H9Cl%2Fc1-2-8-4-3-5-9%286-8%297-10%2Fh2-6H%2C1%2C7H2,7.47001600265503,8.99263858795166,34.9693794250488,0.116642720997334,23.0314769744873,0.023005835711956,5.61879587173462,11.9985370635986,0.347665965557098,-0.210814878344536,13.4632844924927,0.528909265995026,4.70109176635742,0.171853959560394,1.1772882938385,0.221996143460274,0.555154740810394,0.0932242795825005,2.59707045555115
InChI%3D1S%2FC11H16O%2Fc1-4-11%282%2C3%299-5-7-10%2812%298-6-9%2Fh5-8%2C12H%2C4H2%2C1-3H3,8.38346576690674,10.1988496780396,15.9949178695679,0.10691387206316,41.4895133972168,0.190072625875473,4.81031608581543,11.8500003814697,0.200689896941185,-0.360430359840393,19.4129276275635,0.506235599517822,5.10752153396606,1.59346735477448,1.29601728916168,0.206928104162216,0.447916954755783,0.341864764690399,1.6824768781662
InChI%3D1S%2FC12H24O%2Fc1-3-4-5-6-7-8-9-10-11-12%282%2913%2Fh3-11H2%2C1-2H3,19.2374782562256,7.54440546035767,16.0059261322021,0.215325176715851,67.9470825195312,0.031417828053236,4.09477138519287,11.9885320663452,0.0702033191919327,-0.385164618492126,34.6025047302246,0.432280123233795,17.282543182373,0.604399740695953,1.40042150020599,0.423784136772156,0.582946121692657,0.385195195674896,1.35053467750549
InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3,7.85792303085327,8.34881782531738,15.9979429244995,0.0723837167024612,33.4779319763184,0.115723110735416,4.37945222854614,11.9962921142578,0.263893097639084,-0.421305805444717,16.427547454834,0.390562117099762,4.87492799758911,0.909343302249908,1.40876221656799,0.215287834405899,0.50649619102478,0.511703908443451,2.0736517906189
InChI%3D1S%2FC8H7NO4%2Fc1-13-8%2810%296-2-4-7%285-3-6%299%2811%2912%2Fh2-5H%2C1H3,9.62263774871826,8.34938335418701,16.0169982910156,0.26918751001358,29.010181427002,0.0199752654880285,3.531898021698,11.9989995956421,0.205565989017487,-0.318528324365616,16.5540351867676,0.478598922491074,7.45233583450317,0.192214742302895,1.1460839509964,0.330844074487686,0.494492679834366,0.172992303967476,1.97808694839478
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,,9.72507095336914,31.9728298187256,0.412793606519699,,,5.05649995803833,11.9989995956421,,-0.302646368741989,,,,,,,,,
InChI%3D1S%2FC2H8N2%2Fc3-1-2-4%2Fh1-4H2,3.15961742401123,5.51555299758911,14.0092763900757,0.0384393036365509,6.86073923110962,0.178433656692505,4.39873313903809,11.9938325881958,0.25137659907341,-0.361754268407822,2.89439845085144,0.51152890920639,1.80158150196075,0.563782095909119,1.49207329750061,0.177642315626144,0.63209331035614,0.348451018333435,0.794253885746002
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,,8.95451068878174,34.9688529968262,0.104217275977135,,,2.72999739646912,11.9944229125977,,-0.301382839679718,,,,,,,,,
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%2C1-2H3,9.60922431945801,9.85950756072998,16.0170707702637,0.191600158810616,57.3090705871582,0.139086067676544,3.73267269134521,11.9989995956421,0.306162148714066,-0.382836014032364,26.73948097229,0.411513268947601,5.33073472976685,1.33650922775269,1.30247449874878,0.166063830256462,0.587866425514221,0.303094744682312,2.94198107719421
InChI%3D1S%2FC7H5F4N%2Fc8-6-2-1-4%2812%293-5%286%297%289%2C10%2911%2Fh1-3H%2C12H2,6.60682821273804,7.60235261917114,19.0020351409912,0.439443200826645,18.2458744049072,0.0213800873607397,3.47840285301208,11.9974966049194,0.334014534950256,-0.302478641271591,10.311505317688,0.485069453716278,4.25879669189453,0.141254559159279,1.18360650539398,0.233454033732414,0.56933319568634,0.129203915596008,2.20677661895752
InChI%3D1S%2FC7H3I2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,6.312087059021,13.5955772399902,126.90552520752,0.152550771832466,15.5943021774292,6.7323631114391e-09,4.83066987991333,11.9989109039307,0.369512587785721,-0.358296006917953,9.28221416473389,0.38395482301712,3.97969126701355,4.24952624200614e-08,1.04038071632385,0.22286556661129,0.442464381456375,0.213961526751518,2.33239555358887
InChI%3D1S%2FC8H6ClN%2Fc1-6-3-2-4-8%289%297%286%295-10%2Fh2-4H%2C1H3,6.09756422042847,9.28714847564697,34.9688529968262,0.32118359208107,16.3294734954834,0.0160947032272816,4.49892520904541,11.9530277252197,0.415568292140961,-0.422630935907364,9.37012100219727,0.455534398555756,3.4654712677002,0.0981384813785553,1.16846811771393,0.176252752542496,0.58793431520462,0.124999351799488,2.53395438194275
InChI%3D1S%2FC4H3BrS%2Fc5-4-1-2-6-3-4%2Fh1-3H,3.79202771186829,10.182806968689,78.9185180664062,0.103455178439617,9.72753143310547,0.180547192692757,7.366943359375,11.9988651275635,0.306405365467072,-0.188665255904198,4.38790225982666,0.590515077114105,1.94549012184143,0.684639990329742,1.6138756275177,0.134785592556,0.645472526550293,0.377887964248657,1.16189765930176
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%2C1-2H3,12.625057220459,12.4761953353882,34.9720077514648,0.148984253406525,99.2584609985352,0.158628463745117,5.84320592880249,11.9985160827637,0.219655975699425,-0.357257932424545,43.0404815673828,0.435894399881363,7.84919452667236,2.00269341468811,1.3035933971405,0.216286674141884,0.457597762346268,0.410101234912872,2.77316927909851
InChI%3D1S%2FC4H10O%2Fc1-4%282%293-5%2Fh4-5H%2C3H2%2C1-2H3,3.9451048374176,6.61975288391113,15.9979419708252,0.0718539729714394,9.92331886291504,0.124911829829216,3.94567322731018,11.9964618682861,0.351753503084183,-0.421345174312592,4.56633567810059,0.466630697250366,2.06461000442505,0.492790281772614,1.22017979621887,0.142500996589661,0.431560426950455,0.321988642215729,1.3877044916153
InChI%3D1S%2FC9H11NO%2Fc1-2-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3,8.80589580535889,8.74125671386719,15.9949178695679,0.162367597222328,29.9279003143311,0.0664388686418533,4.7842755317688,11.8500003814697,0.174946218729019,-0.302669763565063,15.101001739502,0.440920621156693,6.68028402328491,0.58505380153656,1.4444614648819,0.318961173295975,0.575005829334259,0.428535044193268,1.54055821895599
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%2C1-2H3,11.1800088882446,9.7864465713501,15.9979295730591,0.276499420404434,72.7780456542969,0.122681833803654,4.29689455032349,11.8500003814697,0.265436440706253,-0.326867401599884,33.7538375854492,0.46467399597168,6.84084320068359,1.37158393859863,1.39742982387543,0.208911299705505,0.437659919261932,0.495095938444138,2.9675817489624
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%29,11.1307315826416,9.42718982696533,15.995922088623,0.28331732749939,60.5708198547363,0.125703111290932,4.6828875541687,11.9934062957764,0.171485438942909,-0.32553631067276,28.5479335784912,0.358076989650726,7.82280540466309,1.39916753768921,1.38220620155334,0.277108579874039,0.535139203071594,0.488990038633347,1.90875840187073
InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H,2.75970983505249,8.80775833129883,34.9710578918457,0.223458230495453,4.57950258255005,3.76995767936705e-10,5.76899528503418,11.998706817627,0.39484977722168,-0.144798561930656,1.81979262828827,0.508299887180328,1.67003893852234,1.04039887816043e-09,1.75766539573669,0.203862652182579,0.57289046049118,0.676475048065186,1.08967077732086
InChI%3D1S%2FC5H13N%2Fc1-2-3-4-5-6%2Fh2-6H2%2C1H3,6.87424468994141,6.6570291519165,14.0090990066528,0.02707314863801,22.9053039550781,0.111589603126049,4.67864179611206,11.993597984314,0.196330830454826,-0.363880604505539,11.1056394577026,0.537026822566986,4.75752449035645,0.767094254493713,1.61906290054321,0.269059687852859,0.491078287363052,0.590957820415497,1.34962618350983
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,3.77704095840454,6.16526651382446,14.0030765533447,0.145878687500954,7.27906847000122,6.14148509825441e-10,5.71635961532593,11.8500003814697,0.43276908993721,-0.264029264450073,3.5020272731781,0.588813722133636,2.14245438575745,2.3196640164258e-09,1.55549144744873,0.175423175096512,0.570150315761566,0.396527409553528,1.63458657264709
InChI%3D1S%2FC8H18S2%2Fc1-3-5-9-7-8-10-6-4-2%2Fh3-8H2%2C1-2H3,9.70011806488037,10.0307292938232,31.973072052002,0.054816473275423,44.3858985900879,0.0615660287439823,5.6069598197937,11.8900003433228,0.309416741132736,-0.166103914380074,23.7492790222168,0.495994329452515,6.10154104232788,0.597197711467743,1.46492898464203,0.221762925386429,0.617575705051422,0.351359039545059,3.00137877464294
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%29,9.03914737701416,9.72548866271973,34.9701538085938,0.144404903054237,32.2823944091797,0.0570239312946796,5.09210109710693,11.9985370635986,0.20678474009037,-0.348026484251022,16.8319091796875,0.558617055416107,6.65454196929932,0.515447735786438,1.55948281288147,0.302143484354019,0.569716691970825,0.431149035692215,1.8691577911377
InChI%3D1S%2FC7H3Cl2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,6.10666084289551,9.2873592376709,34.9701538085938,0.153132140636444,14.6505746841431,3.11589815282787e-07,4.39979314804077,11.9985513687134,0.355473577976227,-0.356726050376892,8.54389762878418,0.40472686290741,3.93590235710144,1.90277330602839e-06,1.16348350048065,0.233394593000412,0.438933789730072,0.319822877645493,2.17075657844543
InChI%3D1S%2FC8H6BrNO5%2Fc1-15-8-6%2810%2813%2914%294%283-11%292-5%289%297%288%2912%2Fh2-3%2C12H%2C1H3,8.07488632202148,10.3559436798096,78.9183349609375,0.203045427799225,30.0459079742432,0.0427357889711857,3.91351795196533,11.9989995956421,0.383808851242065,-0.381172746419907,17.0186233520508,0.421664625406265,4.63058662414551,0.345086634159088,1.27968668937683,0.180091515183449,0.517613112926483,0.34040892124176,3.09921288490295
InChI%3D1S%2FC9H12O%2Fc1-2-3-8-4-6-9%2810%297-5-8%2Fh4-7%2C10H%2C2-3H2%2C1H3,8.7341890335083,8.5028190612793,15.9949169158936,0.106628142297268,26.1258850097656,0.0519202537834644,4.73172187805176,11.8500003814697,0.15508933365345,-0.360424399375916,13.1371383666992,0.400556623935699,6.92612838745117,0.453481316566467,1.28140914440155,0.344742804765701,0.530103147029877,0.350749373435974,1.35457956790924
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,3.55266666412354,9.03900241851807,34.9710578918457,0.114917285740376,8.62981796264648,0.191987842321396,5.65861177444458,11.9986352920532,0.276344954967499,-0.213589757680893,3.81233191490173,0.328419029712677,1.88883626461029,0.682068824768066,1.30976331233978,0.148750394582748,0.594638466835022,0.386705815792084,0.981761455535889
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,,11.7285671234131,22.9897708892822,0.372299611568451,,,-2.24614882426977e-06,11.9962329864502,,-0.347115010023117,,,,,,,,,
InChI%3D1S%2FC7H4ClFO%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-4H,5.54519987106323,8.88443470001221,34.9693794250488,0.154784485697746,13.2366027832031,0.00795125495642424,4.02821350097656,11.9985513687134,0.37759730219841,-0.297225445508957,7.3768424987793,0.4536212682724,3.40725612640381,0.0440912991762161,1.1399427652359,0.210838586091995,0.528785824775696,0.15753561258316,2.09385251998901
InChI%3D1S%2FC11H25N%2Fc1-2-3-4-5-6-7-8-9-10-11-12%2Fh2-12H2%2C1H3,20.5258827209473,7.51912498474121,14.0091018676758,0.0272116214036942,58.6383399963379,0.028727887198329,4.75646781921387,11.9934062957764,0.0423653237521648,-0.363888680934906,28.335765838623,0.54232519865036,19.0666313171387,0.589665293693542,1.56721878051758,0.446680098772049,0.572933673858643,0.451959848403931,0.869585692882538
InChI%3D1S%2FC6H4Cl2%2Fc7-5-2-1-3-6%288%294-5%2Fh1-4H,4.6056957244873,8.69332408905029,34.9701538085938,0.122495345771313,9.89103698730469,3.68348213042324e-10,6.12577724456787,11.9985628128052,0.471058756113052,-0.178226217627525,5.28534078598022,0.557244777679443,2.4361424446106,1.69649982950659e-09,1.56427705287933,0.14670592546463,0.469659596681595,0.537372708320618,2.16955327987671
InChI%3D1S%2FC11H8O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6H%2C1H3,8.73264789581299,9.57388782501221,16.0060253143311,0.268517971038818,25.1816444396973,0.00862381421029568,5.09952116012573,11.9885530471802,0.265329539775848,-0.367689698934555,15.342658996582,0.481740921735764,6.34031009674072,0.075308732688427,1.13156652450562,0.294534981250763,0.554587543010712,0.0952381193637848,2.31702947616577
InChI%3D1S%2FC7H16O%2Fc1-2-3-4-5-6-7-8%2Fh8H%2C2-7H2%2C1H3,9.67763519287109,7.07208299636841,15.9979429244995,0.0696944445371628,24.9590644836426,0.0533972308039665,3.92593622207642,11.996319770813,0.0863068252801895,-0.421717911958694,11.6879138946533,0.601417243480682,8.32563018798828,0.516758918762207,1.68803691864014,0.395221948623657,0.563397645950317,0.523221969604492,0.835245966911316
InChI%3D1S%2FC8H8N2O%2Fc1-5-3-6%282%2910-8%2811%297%285%294-9%2Fh3H%2C1-2H3%2C%28H%2C10%2C11%29,7.54424953460693,8.56803703308105,15.9949178695679,0.232759356498718,23.7123012542725,0.0218907315284014,4.35419845581055,11.988489151001,0.371814429759979,-0.34372866153717,14.0491123199463,0.439609616994858,4.57403993606567,0.165149137377739,1.16382932662964,0.204721137881279,0.513693690299988,0.210526004433632,2.80506086349487
InChI%3D1S%2FC7H12O4%2Fc1-3-10-6%288%295-7%289%2911-4-2%2Fh3-5H2%2C1-2H3,8.77142906188965,6.86263465881348,15.9979219436646,0.272400766611099,37.1167068481445,0.0751853808760643,4.09489059448242,11.8900003433228,0.27879524230957,-0.316491395235062,19.2067680358887,0.537428557872772,5.66651344299316,0.659483253955841,1.44848990440369,0.23451454937458,0.604209303855896,0.306852042675018,2.44543266296387
InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%288%296%2811%295%2810%294%282%299%2Fh1%2C11H,3.13401436805725,6.16513395309448,34.9701538085938,0.186238631606102,6.10634994506836,0.119380079209805,4.77278184890747,11.998706817627,0.216360107064247,-0.337501972913742,2.44419431686401,0.536209464073181,2.08179974555969,0.374138861894608,1.88279604911804,0.248194858431816,0.700275540351868,0.646311104297638,0.678075671195984
InChI%3D1S%2FC12H19NO%2Fc1-2-3-4-5-10-14-12-8-6-11%2813%297-9-12%2Fh6-9H%2C2-5%2C10%2C13H2%2C1H3,18.9231147766113,8.08799076080322,15.9949178695679,0.114338994026184,57.3624534606934,0.0174846425652504,5.11348104476929,11.8500003814697,0.0746254250407219,-0.345477998256683,30.4123134613037,0.434968233108521,17.1801052093506,0.330863893032074,1.39655840396881,0.43091744184494,0.545152544975281,0.416437596082687,1.41214549541473
InChI%3D1S%2FC12H10O%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10H,10.4041652679443,8.29298782348633,15.9949178695679,0.105638116598129,38.6411094665527,0.0718980729579926,6.49844932556152,11.8500003814697,0.141114115715027,-0.309928715229034,19.2445068359375,0.524044811725616,8.18795108795166,0.748039484024048,1.63447964191437,0.340240865945816,0.579397141933441,0.53103768825531,1.46817469596863
InChI%3D1S%2FC9H19NO%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh9H%2C3-8H2%2C1-2H3,9.85847568511963,8.37313270568848,15.9949178695679,0.189438387751579,48.7399291992188,0.0872139111161232,3.9409019947052,11.8900003433228,0.266681104898453,-0.284615844488144,24.4831790924072,0.493426263332367,6.36961030960083,0.859796285629272,1.48980104923248,0.234578728675842,0.569977343082428,0.426397413015366,2.62906932830811
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%29,9.65535640716553,11.3537540435791,15.9987077713013,0.371293902397156,56.8097801208496,0.17332524061203,4.29382276535034,11.9962329864502,0.225589066743851,-0.369982093572617,25.9990253448486,0.358975559473038,5.80369710922241,1.67351698875427,1.35044682025909,0.20081427693367,0.574298858642578,0.417172342538834,2.178142786026
InChI%3D1S%2FC7H7NO%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H%2C%28H2%2C8%2C9%29,5.71674203872681,8.30888080596924,15.9949169158936,0.164505153894424,16.1661376953125,0.0587711222469807,4.84633588790894,11.8500003814697,0.317137479782104,-0.344698697328568,8.27616691589355,0.544950902462006,3.5677695274353,0.335979342460632,1.41692614555359,0.218068540096283,0.577653169631958,0.294321984052658,1.81299328804016
InChI%3D1S%2FC6H14S2%2Fc1-5%282%297-8-6%283%294%2Fh5-6H%2C1-4H3,7.83891534805298,10.7540102005005,31.973072052002,0.0928706154227257,28.4487838745117,0.119852140545845,7.06327199935913,11.8900003433228,0.165987193584442,-0.135899320244789,13.7662744522095,0.594360113143921,5.59824466705322,0.939510762691498,1.78187716007233,0.285620510578156,0.650843441486359,0.536673605442047,1.30115950107574
InChI%3D1S%2FC8H7N%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-5H%2C1H3,5.87647867202759,8.30914115905762,14.0499572753906,0.319567263126373,15.3152275085449,0.0166986137628555,4.24917984008789,11.9530277252197,0.403492510318756,-0.423144727945328,8.64596939086914,0.490889042615891,3.40723466873169,0.098129041492939,1.20199263095856,0.184856668114662,0.586104333400726,0.124999240040779,2.37111520767212
InChI%3D1S%2FC11H15NO2%2Fc1-3-12%284-2%2910-6-5-9%288-13%2911%2814%297-10%2Fh5-8%2C14H%2C3-4H2%2C1-2H3,10.6031274795532,9.51307392120361,15.9959211349487,0.192950561642647,49.8116149902344,0.0534313395619392,3.9469096660614,11.8500003814697,0.289817452430725,-0.359939008951187,27.0851173400879,0.618698358535767,6.96361684799194,0.566539287567139,1.56758260726929,0.242563411593437,0.528111219406128,0.42077299952507,3.07297134399414
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,2.06961226463318,8.48476219177246,34.9710578918457,0.286561369895935,3.74932885169983,0.217433214187622,5.93843698501587,11.9994735717773,0.39127242565155,-0.14991594851017,1.38461232185364,0.399982690811157,0.809827566146851,0.450002431869507,1.18534815311432,0.0434707663953304,0.400001734495163,0.385363727807999,0.809782207012177
InChI%3D1S%2FC7H9N%2Fc1-2-7-5-3-4-6-8-7%2Fh3-6H%2C2H2%2C1H3,6.26411104202271,7.7961311340332,14.0142478942871,0.0914797186851501,17.4336490631104,0.069888710975647,5.36421346664429,11.9885196685791,0.21304714679718,-0.324549853801727,8.54520416259766,0.417812258005142,4.49176931381226,0.437790632247925,1.31148564815521,0.28779810667038,0.597635567188263,0.296037882566452,1.33455097675323
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,4.21959447860718,7.11350584030151,14.0082683563232,0.0551623143255711,11.4118309020996,0.191219091415405,5.49149465560913,11.9946517944336,0.244505882263184,-0.330045133829117,5.21014499664307,0.612549304962158,2.38101196289062,0.806867122650146,1.60888981819153,0.173206269741058,0.546312093734741,0.450028419494629,1.03171575069427
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%2C1-2H3,18.2372779846191,9.04839897155762,15.9979305267334,0.294349014759064,138.323944091797,0.0244520828127861,4.77099704742432,11.8900003433228,0.419091612100601,-0.312786787748337,85.4978332519531,0.496807128190994,10.148247718811,0.445939421653748,1.34755373001099,0.167342230677605,0.524203896522522,0.326542735099792,7.64309024810791
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,,8.64119720458984,31.9728298187256,0.283750891685486,,,4.58201932907104,11.9989995956421,,-0.323054611682892,,,,,,,,,
InChI%3D1S%2FC6H10O3%2Fc1-5%282%296%288%299-4-3-7%2Fh7H%2C1%2C3-4H2%2C2H3,8.0006685256958,7.32522439956665,15.9987020492554,0.288387686014175,23.3229923248291,0.0614352747797966,3.77953267097473,11.9963550567627,0.155598983168602,-0.418272167444229,11.4892587661743,0.442666590213776,6.26424980163574,0.491523265838623,1.37668061256409,0.337224304676056,0.623335719108582,0.310678243637085,1.24489593505859
InChI%3D1S%2FC8H18S2%2Fc1-3-9-7-5-6-8-10-4-2%2Fh3-8H2%2C1-2H3,20.0973262786865,9.25697040557861,31.973072052002,0.0798167958855629,168.235473632812,0.0411311089992523,6.0181565284729,11.8900003433228,0.254358172416687,-0.162665963172913,88.3082046508789,0.488343566656113,14.1587829589844,0.826625406742096,1.18680500984192,0.278383046388626,0.182225689291954,0.516235768795013,5.11191940307617
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%2C14H2,16.8636379241943,9.05768203735352,15.9969263076782,0.300880283117294,109.749702453613,0.0415396839380264,4.92425632476807,11.8500003814697,0.232247352600098,-0.35959130525589,59.2866477966309,0.25231146812439,12.2465925216675,0.700510203838348,1.21401524543762,0.294659733772278,0.563470125198364,0.398233592510223,3.91653513908386
InChI%3D1S%2FC7H8O%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5%2C8H%2C1H3,5.62571954727173,7.73613262176514,15.9979429244995,0.10109868645668,14.2575798034668,0.0174469016492367,4.90359830856323,11.996319770813,0.398537784814835,-0.386376291513443,7.90884733200073,0.448929309844971,3.2855064868927,0.0981513783335686,1.11193251609802,0.188011482357979,0.538003206253052,0.124999940395355,2.24206185340881
InChI%3D1S%2FC11H16%2Fc1-2-3-5-8-11-9-6-4-7-10-11%2Fh4%2C6-7%2C9-10H%2C2-3%2C5%2C8H2%2C1H3,11.7741231918335,8.67978858947754,12.1501264572144,0.0901038870215416,39.0595092773438,0.057328574359417,5.16706943511963,11.8500003814697,0.101314835250378,-0.210044160485268,19.3089275360107,0.380845278501511,9.90623664855957,0.674993753433228,1.3554470539093,0.381017446517944,0.554059565067291,0.4205422103405,1.19289338588715
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,3.10321760177612,9.79723739624023,34.9720077514648,0.246189966797829,5.46610021591187,1.52579782142226e-10,6.75458335876465,11.998706817627,0.431940317153931,-0.140288695693016,2.36288285255432,0.666666686534882,1.76281273365021,4.73488248609044e-10,2.21223258972168,0.176044747233391,0.783337414264679,0.762228667736053,1.34040486812592
InChI%3D1S%2FC6H6BrN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,5.35595178604126,9.4926290512085,78.9183349609375,0.10887249559164,11.9050998687744,0.00150170421693474,5.60174703598022,11.8500003814697,0.343506276607513,-0.302464962005615,6.49723672866821,0.497457385063171,3.50810551643372,0.00804305542260408,1.30339241027832,0.24124401807785,0.453672796487808,0.352262198925018,1.83980309963226
InChI%3D1S%2FC7H4Br2O2%2Fc8-5-1-4%283-10%297%2811%296%289%292-5%2Fh1-3%2C11H,6.21640491485596,10.7215099334717,78.9193344116211,0.152532309293747,15.7927885055542,5.4346660505189e-08,4.24302864074707,11.996319770813,0.453226447105408,-0.383154273033142,9.57638072967529,0.476669818162918,3.39896535873413,3.37840845077153e-07,1.16562449932098,0.160080119967461,0.522677361965179,0.166277289390564,2.81743907928467
InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,8.34888172149658,9.16247272491455,31.972677230835,0.303577095270157,30.3053131103516,0.0283181574195623,4.5205397605896,11.9985122680664,0.426406502723694,-0.32415696978569,18.1247482299805,0.680779933929443,4.55243921279907,0.236424937844276,1.63559591770172,0.1589565128088,0.654934763908386,0.299881190061569,3.56001710891724
InChI%3D1S%2FC9H13N%2Fc1-8-4-6-9%287-5-8%2910%282%293%2Fh4-7H%2C1-3H3,8.92208290100098,8.74806976318359,14.0091009140015,0.0306909326463938,26.7408275604248,0.0243982076644897,5.91484212875366,11.9934511184692,0.216378733515739,-0.319609463214874,14.9720506668091,0.564529418945312,6.77385139465332,0.217682838439941,1.37616503238678,0.319417297840118,0.58094596862793,0.230689629912376,1.93054914474487
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,3.01246571540833,9.74158191680908,34.9720077514648,0.23259262740612,6.78815317153931,0.239405080676079,6.56798601150513,11.998706817627,0.287053763866425,-0.173516392707825,2.8860342502594,0.707129895687103,1.42652654647827,0.721199631690979,1.87910056114197,0.105155862867832,0.687969028949738,0.484001576900482,0.864739656448364
InChI%3D1S%2FC10H18%2Fc1-3-5-7-9-10-8-6-4-2%2Fh3-4H%2C1-2%2C5-10H2,14.0487108230591,7.4705662727356,12.2100791931152,0.113308720290661,36.1589012145996,0.0369416698813438,5.1206488609314,11.789999961853,0.0554527118802071,-0.306948035955429,16.9549827575684,0.500266373157501,12.7506895065308,0.518982827663422,1.36112534999847,0.430704206228256,0.513628840446472,0.347230136394501,0.779039144515991
InChI%3D1S%2FC6H5ClO%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C8H,4.83129739761353,8.43959712982178,34.9693794250488,0.14658111333847,10.5820474624634,5.76660674767027e-09,5.08318376541138,11.9985628128052,0.439793199300766,-0.358384728431702,5.7507495880127,0.442632466554642,2.7065258026123,2.78601923753286e-08,1.23300886154175,0.170155093073845,0.503176629543304,0.287199795246124,2.1247718334198
InChI%3D1S%2FC8H5F3O%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-5H,6.73958444595337,7.93013715744019,19.0012531280518,0.436399757862091,18.7446613311768,0.0199579782783985,3.50963687896729,11.9974756240845,0.333828568458557,-0.297420918941498,10.6870765686035,0.482688248157501,4.35521030426025,0.134508475661278,1.13763415813446,0.234660089015961,0.537298858165741,0.117647059261799,2.24986577033997
InChI%3D1S%2FC8H12N2O2S%2Fc1-3-9-6%2811%295-7%2812%2910%284-2%298%289%2913%2Fh3-5H2%2C1-2H3,8.95918846130371,11.333667755127,31.9742794036865,0.271850168704987,36.693920135498,0.0750710219144821,5.14539051055908,11.9970283508301,0.241554021835327,-0.280368059873581,18.8232154846191,0.462801456451416,6.12248516082764,0.672575414180756,1.52154469490051,0.262531220912933,0.570043802261353,0.488699436187744,2.16412806510925
InChI%3D1S%2FC3H10N2%2Fc1-3%285%292-4%2Fh3H%2C2%2C4-5H2%2C1H3,3.8954815864563,6.76200342178345,14.00927734375,0.0404976382851601,9.57232666015625,0.139230728149414,4.71558523178101,11.9937324523926,0.287604868412018,-0.361530423164368,4.32011365890503,0.402755260467529,2.23275136947632,0.542370736598969,1.25749146938324,0.179873302578926,0.497725158929825,0.357011049985886,1.12035953998566
InChI%3D1S%2FC7H16O%2Fc1-5%282%297%288%296%283%294%2Fh5-8H%2C1-4H3,6.27403974533081,8.11251163482666,15.9949159622192,0.0716043710708618,22.2635326385498,0.147966727614403,5.21049308776855,11.8900003433228,0.235695689916611,-0.391967982053757,10.6809396743774,0.539262056350708,3.86692643165588,0.928349196910858,1.60209441184998,0.21225318312645,0.572656631469727,0.490175813436508,1.47876405715942
InChI%3D1S%2FC7H9N%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6%2C8H2,6.06247329711914,8.0458812713623,14.003077507019,0.0906970947980881,16.8798694610596,0.0600025691092014,5.08658981323242,11.8500003814697,0.25449812412262,-0.326125860214233,8.48495292663574,0.422318965196609,4.15582132339478,0.363763988018036,1.26960611343384,0.264124482870102,0.562160015106201,0.285127133131027,1.54288816452026
InChI%3D1S%2FC6H5ClO2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3%2C8-9H,5.27312850952148,8.37581825256348,34.9688529968262,0.128645062446594,12.0627727508545,1.62500501943441e-08,4.83405160903931,11.9963550567627,0.423711746931076,-0.382623672485352,6.78964376449585,0.585977435112,3.03884196281433,8.56886046562977e-08,1.23623073101044,0.182216182351112,0.496339470148087,0.153913751244545,2.23428630828857
InChI%3D1S%2FC6H12O2%2Fc1-3-4-5-8-6%282%297%2Fh3-5H2%2C1-2H3,7.17579364776611,6.5028247833252,16.0060253143311,0.332068532705307,20.3006992340088,0.0784919112920761,3.65879321098328,11.9886989593506,0.151706159114838,-0.339880079030991,9.73789310455322,0.462195843458176,5.52394008636475,0.56324177980423,1.37799406051636,0.327351450920105,0.479789257049561,0.436008960008621,1.08861207962036
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%2C1-3H3,17.8107242584229,9.67427921295166,16.0060272216797,0.233072280883789,99.1679992675781,0.0850551500916481,3.90846633911133,11.9884519577026,0.0856588706374168,-0.380548357963562,47.2205352783203,0.539951324462891,14.7701845169067,1.51489388942719,1.6358470916748,0.371964484453201,0.589337050914764,0.50655871629715,1.52564656734467
InChI%3D1S%2FC9H14O2%2Fc1-2-9%2810%2911-8-6-4-3-5-7-8%2Fh2%2C8H%2C1%2C3-7H2,29.8577861785889,8.24725723266602,15.9959192276001,0.285637438297272,225.714447021484,0.0448112450540066,4.29883909225464,11.8999996185303,0.087164930999279,-0.308971345424652,105.609550476074,0.312001973390579,25.9172706604004,1.33796453475952,1.00270569324493,0.401017874479294,0.186731889843941,0.503971815109253,2.60255193710327
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,1.69786155223846,6.53172636032104,34.9701538085938,0.185354650020599,2.74642729759216,0.188353389501572,4.95766448974609,11.9994735717773,0.335659831762314,-0.18513411283493,0.901275336742401,0.806643664836884,0.808159649372101,0.319797992706299,1.60664367675781,0.106990084052086,0.400000005960464,0.400000005960464,0.569903910160065
InChI%3D1S%2FC8H11NO%2Fc10-6-2-4-8-3-1-5-9-7-8%2Fh1%2C3%2C5%2C7%2C10H%2C2%2C4%2C6H2,8.36056518554688,8.33606910705566,15.9949169158936,0.0934742614626884,24.2081928253174,0.060892928391695,4.02272319793701,11.988489151001,0.140710771083832,-0.395720273256302,11.8498411178589,0.376323163509369,6.67504405975342,0.509099304676056,1.2658154964447,0.348797231912613,0.515767395496368,0.373724967241287,1.17642152309418
InChI%3D1S%2FC7H4Cl2O%2Fc8-6-2-1-5%284-10%297%289%293-6%2Fh1-4H,5.71925735473633,9.39578628540039,34.9701538085938,0.151829481124878,13.2749938964844,1.76907093418777e-07,4.10071611404419,11.9985513687134,0.362130343914032,-0.297331571578979,7.55572891235352,0.47920623421669,3.6481397151947,1.01177727174218e-06,1.12420094013214,0.228402107954025,0.481403261423111,0.163591414690018,2.07111668586731
InChI%3D1S%2FC6H15NO%2Fc1-3-7%284-2%295-6-8%2Fh8H%2C3-6H2%2C1-2H3,6.34074878692627,8.02737903594971,15.9979429244995,0.0818433836102486,24.0253410339355,0.120322369039059,4.06146097183228,11.9963550567627,0.376648485660553,-0.419832170009613,11.8729696273804,0.439123094081879,3.18958139419556,0.762933969497681,1.35157334804535,0.127271845936775,0.463342905044556,0.449107378721237,2.38823342323303
InChI%3D1S%2FC6H14S2%2Fc1-3-7-5-6-8-4-2%2Fh3-6H2%2C1-2H3,8.80438709259033,9.79494476318359,31.973072052002,0.0798034891486168,34.6440544128418,0.0871837362647057,6.08556890487671,11.8900003433228,0.20195297896862,-0.161834090948105,17.2974796295166,0.468487203121185,6.25871562957764,0.76759934425354,1.56466221809387,0.28314745426178,0.602336525917053,0.493838459253311,1.77807211875916
InChI%3D1S%2FC11H14O4%2Fc1-7%2812%298-5-6-9%2813-2%2911%2815-4%2910%288%2914-3%2Fh5-6H%2C1-4H3,10.7750644683838,9.2524938583374,15.99928855896,0.162350952625275,64.3002624511719,0.089467816054821,4.67629194259644,11.9962329864502,0.336889415979385,-0.372974097728729,31.8952541351318,0.584478199481964,6.18103790283203,0.964021444320679,1.52083098888397,0.18023207783699,0.514797806739807,0.421555012464523,3.63000512123108
InChI%3D1S%2FC6H12O%2Fc1-5%287%296%282%2C3%294%2Fh1-4H3,4.74895143508911,8.43704414367676,15.9949159622192,0.134945437312126,15.0800819396973,0.246188193559647,4.42962169647217,11.8900003433228,0.248740389943123,-0.29891049861908,7.01860332489014,0.471745878458023,2.3985595703125,1.16913568973541,1.3573135137558,0.128803566098213,0.467070788145065,0.418496787548065,1.18125605583191
InChI%3D1S%2FC6H4FNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H,5.38465690612793,7.33500814437866,18.998405456543,0.175439268350601,12.0507917404175,4.21797631133813e-06,3.46688532829285,11.9989995956421,0.358233094215393,-0.275414705276489,6.6659836769104,0.520805895328522,3.45567202568054,2.27123564400245e-05,1.18848264217377,0.231322005391121,0.498044371604919,0.169632390141487,1.92896246910095
InChI%3D1S%2FC6H14%2Fc1-3-5-6-4-2%2Fh3-6H2%2C1-2H3,7.06003999710083,6.69988679885864,12.1100749969482,0.0497785061597824,16.494592666626,0.066257007420063,5.03814935684204,11.8900003433228,0.104709170758724,-0.170505166053772,7.41055393218994,0.659351825714111,5.85301208496094,0.467777103185654,1.81553030014038,0.371775358915329,0.556187450885773,0.599991023540497,0.739250957965851
InChI%3D1S%2FC13H26O%2Fc1-3-4-5-6-7-8-9-10-11-12-13%282%2914%2Fh3-12H2%2C1-2H3,62.3564987182617,7.57368135452271,16.0059261322021,0.215332075953484,1550.50708007812,0.016487980261445,4.09538984298706,11.9885129928589,0.244545593857765,-0.385165482759476,765.718200683594,0.555604219436646,46.0793609619141,1.02813279628754,1.02571260929108,0.304224818944931,0.0731090381741524,0.396999359130859,15.2490072250366
InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2,4.97105360031128,7.33338356018066,14.003077507019,0.0978959873318672,10.8196048736572,0.00177360558882356,5.40718269348145,11.8500003814697,0.371587008237839,-0.302463263273239,5.7978196144104,0.494464188814163,3.11505794525146,0.00881668832153082,1.3004184961319,0.219979539513588,0.530342638492584,0.275611728429794,1.84717881679535
InChI%3D1S%2FC10H16O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7H%2C4-6H2%2C1-3H3,5.85132026672363,10.5597658157349,15.9949169158936,0.193803369998932,24.5784149169922,0.304107517004013,5.04624652862549,11.8999996185303,0.327575713396072,-0.29856139421463,11.3765087127686,0.493486374616623,2.15513920783997,1.77943050861359,1.57512962818146,0.0262375697493553,0.552743554115295,0.528899669647217,1.91675043106079
InChI%3D1S%2FC12H8BrNO%2Fc13-11-5-3-9%284-6-11%2912%2815%2910-2-1-7-14-8-10%2Fh1-8H,10.8674936294556,9.725754737854,78.9183349609375,0.194406822323799,38.863582611084,0.0498734712600708,5.44077491760254,11.988395690918,0.154615238308907,-0.325216621160507,20.1227951049805,0.514000356197357,8.64521408081055,0.541999638080597,1.53688812255859,0.346633464097977,0.534621179103851,0.488266587257385,1.68028020858765
InChI%3D1S%2FC7H13N3O3S%2Fc1-8-7%2812%2913-9-5%2814-4%296%2811%2910%282%293%2Fh1-4H3%2C%28H%2C8%2C12%29,12.6984786987305,10.4972229003906,31.972677230835,0.303630888462067,81.1598968505859,0.0689097717404366,4.60395860671997,11.9984836578369,0.30894747376442,-0.324189305305481,41.3401107788086,0.372931122779846,7.90026617050171,0.875049293041229,1.3153783082962,0.216607078909874,0.573172390460968,0.369274765253067,3.92316269874573
InChI%3D1S%2FC7H4Cl4%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3%2C7H,6.91257286071777,11.4128799438477,34.9720077514648,0.221705377101898,22.242992401123,0.0524022802710533,6.93306255340576,11.9985513687134,0.314361721277237,-0.173277124762535,11.8848209381104,0.381843447685242,4.37728977203369,0.362234592437744,1.21005737781525,0.224926993250847,0.633285641670227,0.194928303360939,2.17304825782776