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

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InChI%3D1S%2FC5H13N%2Fc1-4%282%295%283%296%2Fh4-5H%2C6H2%2C1-3H3,29.8058605194092,0.0327138751745224,200.649795532227,-30.6638298034668,137.352890014648,18.2228584289551,81.6258926391602,-11.403468132019,10.3372087478638,-9.68941783905029,43.4019393920898,168.016723632812,13.5516910552979,286.182647705078,0.61592823266983,-3.60336494445801,3.26643943786621,21.7406768798828,18.5683097839355,0.0943257659673691,18.3582706451416,0.222987800836563,0.182504624128342,5.25358867645264,-0.0970409587025642,0.90567421913147,-0.0360882356762886,1.0,0.817495405673981,1.0,0.434676855802536,57.6693649291992,258.319152832031
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InChI%3D1S%2FC5H12ClN.ClH%2Fc1-7%282%295-3-4-6%3B%2Fh3-5H2%2C1-2H3%3B1H,,,,,,,,,,,,,17.0316905975342,,,,,,22.9283084869385,,,,,,,,,1.0,,0.0,,,
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InChI%3D1S%2FC5H10O%2Fc1-3-4-5%282%296%2Fh3-4H2%2C1-2H3,44.9681282043457,0.022043427452445,162.252822875977,-33.7005462646484,101.754737854004,25.9482250213623,78.347541809082,-15.2460317611694,7.11889266967773,-10.8835420608521,32.8615455627441,135.455291748047,11.8900699615479,277.980407714844,0.714009404182434,-4.92368364334106,2.29903602600098,22.3649234771729,16.2699298858643,0.139242380857468,32.107666015625,0.308901399374008,0.248794615268707,1.27260375022888,-0.104352675378323,0.86075758934021,-0.0472088567912579,1.0,0.751205384731293,0.0,0.315080344676971,80.3478622436523,242.600692749023
InChI%3D1S%2FC9H11NO%2Fc1-10%282%299-5-3-8%287-11%294-6-9%2Fh3-7H%2C1-2H3,60.8817100524902,0.0398329831659794,129.388748168945,-94.5068664550781,195.740280151367,44.8101654052734,92.8097076416016,-20.2246532440186,14.7769031524658,-35.0593566894531,72.6140747070312,290.247131347656,14.9632768630981,310.089813232422,0.380082637071609,-7.50277090072632,5.48181056976318,35.0015563964844,25.0767230987549,0.164114236831665,20.2631301879883,0.191340863704681,0.325608253479004,2.94853210449219,-0.254755020141602,0.835885763168335,-0.054518073797226,2.0,0.674391746520996,0.0,0.52764230966568,120.791389465332,250.180145263672
InChI%3D1S%2FC3H2F6O%2Fc4-2%285%2C6%291%2810%293%287%2C8%299%2Fh1%2C10H,59.3643684387207,0.0313896201550961,-181.755020141602,-328.211853027344,76.9125442504883,69.5557327270508,16.2995586395264,-44.6471214294434,9.19749546051025,-96.1696014404297,22.5362014770508,405.124420166016,9.40441417694092,233.646362304688,0.272291779518127,-13.082085609436,2.69496512413025,53.8446159362793,10.7575855255127,0.202601343393326,6.31221199035645,0.306040614843369,0.810150802135468,0.0,-1.12013602256775,0.797398626804352,-0.152373671531677,1.0,0.189849197864532,1.0,0.262490540742874,237.382873535156,55.6278533935547
InChI%3D1S%2FC8H6Br4%2Fc9-7%2810%295-3-1-2-4-6%285%298%2811%2912%2Fh1-4%2C7-8H,0.0,0.0156131144613028,-215.246017456055,-222.018737792969,71.0798416137695,132.333953857422,42.3670387268066,-33.2514724731445,6.52585220336914,-92.797721862793,29.7094173431396,293.098571777344,11.7192420959473,417.972473144531,0.162995100021362,-13.8982000350952,2.72762656211853,39.7773246765137,30.2807579040527,0.0,10.7693824768066,0.217010170221329,0.757488250732422,0.0,-0.531180262565613,1.0,-0.0795542150735855,0.0,0.242511719465256,0.0,0.17005866765976,316.609252929688,101.363227844238
InChI%3D1S%2FC10H10O2%2Fc1-8%2811%297-10%2812%299-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3,75.098762512207,0.0290974769741297,45.1734771728516,-168.503311157227,208.490478515625,81.0715255737305,100.310440063477,-28.547046661377,12.3923139572144,-71.7638092041016,88.7939300537109,376.993774414062,12.8480701446533,350.790863037109,0.33776119351387,-12.1578912734985,5.27775812149048,40.9393615722656,25.8719291687012,0.176333874464035,14.1496295928955,0.191861912608147,0.446965754032135,0.609413683414459,-0.395650178194046,0.823666155338287,-0.0670292153954506,2.0,0.553034245967865,0.0,0.489541113376617,190.35807800293,235.531555175781
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InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%2811%295%289%296%2810%294%282%298%2Fh1%2C11H,65.3903961181641,0.0420639999210835,-164.061508178711,-266.192016601562,124.26708984375,138.888580322266,64.8376998901367,-43.8028945922852,18.986026763916,-120.148559570312,56.0892524719238,390.459106445312,3.86641407012939,385.970092773438,0.413545697927475,-19.7708950042725,8.56954193115234,62.7889213562012,21.4155864715576,0.14487399160862,11.5535430908203,0.251303434371948,0.681741118431091,9.41197395324707,-0.58975487947464,0.855126023292542,-0.097046360373497,0.0,0.318258881568909,1.0,0.275316715240479,307.710998535156,143.649490356445
InChI%3D1S%2FC6H12N2%2Fc1-2-8-5-3-7%281%294-6-8%2Fh1-6H2,20.9701309204102,0.0384048968553543,245.332473754883,-12.5274991989136,159.088455200195,6.02414655685425,76.5014724731445,-6.26374959945679,11.0326795578003,-3.59880900382996,45.701774597168,171.615951538086,17.078483581543,266.302612304688,0.5,-1.79940450191498,3.16938805580139,17.2964286804199,20.7615165710449,0.0729972869157791,5.19835424423218,0.0734926536679268,0.0729972869157791,1.60467255115509,-0.0436083823442459,0.927002727985382,-0.021804191172123,2.0,0.927002727985382,0.0,0.553788900375366,20.9701309204102,266.302612304688
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InChI%3D1S%2FC14H14OS%2Fc15-16%2811-13-7-3-1-4-8-13%2912-14-9-5-2-6-10-14%2Fh1-10H%2C11-12H2,37.6490592956543,0.0358168594539165,153.985931396484,-168.66276550293,312.308868408203,93.2208480834961,172.614852905273,-18.2103023529053,18.4669075012207,-86.9612655639648,161.024139404297,480.971618652344,19.682897567749,477.943511962891,0.276937991380692,-9.3890962600708,9.52140045166016,36.6772079467773,37.6771011352539,0.0730209499597549,10.4264554977417,0.0669617801904678,0.350670903921127,0.442918181419373,-0.327124118804932,0.926979064941406,-0.0353191681206226,1.0,0.64932906627655,0.0,0.605728030204773,180.803314208984,334.789245605469
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InChI%3D1S%2FC6H3I3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,69.0211639404297,0.0268947351723909,-220.501174926758,-195.484375,74.7218933105469,176.102355957031,67.3133087158203,-27.1053199768066,13.2691020965576,-96.4464645385742,36.8656692504883,270.206268310547,14.0496206283569,424.350555419922,0.653269469738007,-13.3729991912842,6.54659986495972,40.3744239807129,29.4123783111572,0.139896884560585,26.1577491760254,0.396946519613266,0.723463535308838,11.5034637451172,-0.396221280097961,0.860103130340576,-0.054938942193985,0.0,0.276536464691162,1.0,0.151451498270035,356.936462402344,136.435272216797
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InChI%3D1S%2FC9H10O2%2Fc1-2-11-9-5-3-8%287-10%294-6-9%2Fh3-7H%2C2H2%2C1H3,64.0774459838867,0.0399339981377125,140.619338989258,-100.285995483398,219.087203979492,44.8732070922852,98.0310897827148,-21.8080730438232,15.0961236953735,-37.9107971191406,82.8208465576172,319.373199462891,13.8060703277588,313.949401855469,0.40962690114975,-8.24403762817383,5.70673990249634,36.9041976928711,24.111930847168,0.169505015015602,4.46796655654907,0.177199512720108,0.314008802175522,2.66374373435974,-0.265288025140762,0.830494999885559,-0.0576892197132111,1.0,0.685991227626801,0.0,0.579554617404938,118.703750610352,259.323089599609
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InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,118.141677856445,0.0503811128437519,103.759124755859,-151.763122558594,262.269348144531,55.3961791992188,95.7328720092773,-27.1270961761475,19.5858192443848,-58.9984016418457,101.958045959473,414.032470703125,11.158863067627,270.611511230469,0.338392823934555,-10.5457448959351,7.61404991149902,46.7129135131836,22.7851371765137,0.303898930549622,12.2294073104858,0.205735564231873,0.366548836231232,4.37834310531616,-0.390384256839752,0.696101069450378,-0.0697797387838364,2.0,0.633451163768768,2.0,0.674642264842987,142.497039794922,246.256164550781
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InChI%3D1S%2FC6H12ClN.ClH%2Fc7-3-6-8-4-1-2-5-8%3B%2Fh1-6H2%3B1H,,,,,,,,,,,,,17.0316905975342,,,,,,24.6883087158203,,,,,,,,,1.0,,0.0,,,
InChI%3D1S%2FC3H9NO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2%2C4H2%2C1H3,103.595558166504,0.0531312935054302,143.786346435547,-73.7545928955078,182.608352661133,32.990795135498,81.6816177368164,-26.2516422271729,17.9920177459717,-24.9757518768311,61.8372421264648,256.362945556641,9.17886257171631,235.03759765625,0.517098367214203,-8.88967609405518,6.09269332885742,44.2436599731445,13.1831369400024,0.305922657251358,17.6127452850342,0.277611494064331,0.287696003913879,9.23042583465576,-0.217800870537758,0.69407731294632,-0.0775223597884178,2.0,0.712303996086121,2.0,0.539251267910004,97.4234085083008,241.209747314453
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InChI%3D1S%2FC6H4Cl2O2%2Fc7-3-1-5%289%296%2810%292-4%283%298%2Fh1-2%2C9-10H,167.874771118164,0.0615422092378139,-61.5117721557617,-239.373458862305,179.352828979492,105.274108886719,78.8776168823242,-48.4382972717285,26.4095497131348,-102.722099304199,76.9654998779297,418.726287841797,5.21282815933228,261.254241943359,0.366105407476425,-20.7862796783447,11.333104133606,74.8478469848633,19.1911716461182,0.391198843717575,19.2677402496338,0.222823843359947,0.571670472621918,8.92699813842773,-0.55781227350235,0.608801186084747,-0.112875834107399,0.0,0.428329527378082,2.0,0.417946130037308,245.320404052734,183.808624267578
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InChI%3D1S%2FC10H14O%2Fc11-10-8-2-6-1-7%284-8%295-9%2810%293-6%2Fh6-9H%2C1-5H2,45.6231422424316,0.032937727868557,251.538345336914,-31.8107719421387,179.676162719727,19.4685249328613,109.963691711426,-13.977165222168,11.8499031066895,-11.4444627761841,64.6415405273438,211.486938476562,16.2628974914551,314.143768310547,0.507873058319092,-5.02852153778076,4.26320314407349,25.8270683288574,27.7371025085449,0.126813054084778,23.1707649230957,0.236114040017128,0.15041483938694,5.99977827072144,-0.0884205102920532,0.873186945915222,-0.0388506166636944,1.0,0.849585175514221,0.0,0.499423861503601,54.1142768859863,305.652618408203
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InChI%3D1S%2FC6H5ClN2O2%2Fc7-5-3-4%289%2810%2911%291-2-6%285%298%2Fh1-3H%2C8H2,19.7036762237549,0.035202793776989,-65.7416687011719,-174.553451538086,124.744850158691,91.0134353637695,65.0428695678711,-27.6529960632324,13.9064979553223,-68.9555282592773,49.2791557312012,299.298309326172,6.4820351600647,375.3359375,0.397027879953384,-10.9240293502808,5.49361753463745,41.5594940185547,19.877965927124,0.0498777218163013,7.82290887832642,0.169525042176247,0.583208978176117,1.08759212493896,-0.441863149404526,0.95012229681015,-0.0700005665421486,1.0,0.416791051626205,1.0,0.315778076648712,230.390640258789,164.648971557617
InChI%3D1S%2FC2H5NO%2Fc1-2-3-4%2Fh2%2C4H%2C1H3,68.0856857299805,0.0502180568873882,97.8869476318359,-32.9748001098633,76.3935699462891,18.3302555084229,42.4661712646484,-14.5902156829834,12.3822317123413,-8.13057422637939,18.8363094329834,109.368370056152,5.46603488922119,178.483627319336,0.601848840713501,-3.59749937057495,3.05307841300964,26.972448348999,8.75596523284912,0.276132017374039,24.0816612243652,0.557863891124725,0.301502168178558,15.6608457565308,-0.133734405040741,0.723867952823639,-0.0591728761792183,0.0,0.698497831821442,1.0,0.309825927019119,74.3411865234375,172.228134155273
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InChI%3D1S%2FC6H5ClO%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C8H,65.6929626464844,0.0466824695467949,-16.264778137207,-116.25944519043,105.364044189453,57.4187507629395,52.0376815795898,-24.4715595245361,15.4445219039917,-38.463508605957,34.8588523864746,221.623489379883,5.88603496551514,265.149047851562,0.534971296787262,-8.09622001647949,5.10969638824463,39.9160804748535,16.8759651184082,0.198562934994698,18.5871562957764,0.325246334075928,0.524580895900726,10.0659666061401,-0.35140472650528,0.801437079906464,-0.0739675164222717,0.0,0.475419104099274,1.0,0.318472385406494,173.55339050293,157.288619995117
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InChI%3D1S%2FC8H12N2O2S%2Fc1-3-9-6%2811%295-7%2812%2910%284-2%298%289%2913%2Fh3-5H2%2C1-2H3,77.1643371582031,0.0266748443245888,134.487731933594,-141.042190551758,286.621398925781,51.4775657653809,104.611053466797,-21.6341781616211,10.5387115478516,-55.7230224609375,113.238525390625,427.66357421875,20.1344833374023,317.916198730469,0.258083432912827,-8.54724311828613,4.16363954544067,32.1728897094727,28.7855167388916,0.195312947034836,8.79785823822021,0.200389608740807,0.329797059297562,0.945297420024872,-0.356996059417725,0.804687082767487,-0.0547589100897312,4.0,0.670202970504761,0.0,0.7254758477211,130.29638671875,264.784118652344
InChI%3D1S%2FC3H10N2%2Fc1-3%285%292-4%2Fh3H%2C2%2C4-5H2%2C1H3,53.9568519592285,0.050007302314043,172.614608764648,-54.6618957519531,176.193618774414,25.4566211700439,82.0552215576172,-18.8527984619141,16.3968925476074,-17.9230880737305,57.7721214294434,230.855514526367,9.61207008361816,273.933135986328,0.466913968324661,-6.18164396286011,5.37637710571289,35.2496910095215,14.1479301452637,0.164557799696922,16.7221298217773,0.168452322483063,0.236779689788818,4.09916162490845,-0.166708037257195,0.835442185401917,-0.0574973300099373,2.0,0.763220310211182,2.0,0.537355899810791,77.6376876831055,250.252304077148
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InChI%3D1S%2FC6H12O2%2Fc1-3-4-5-8-6%282%297%2Fh3-5H2%2C1-2H3,53.2455940246582,0.0317380987107754,244.854568481445,-39.2971572875977,218.107604980469,18.9674243927002,105.273254394531,-12.8739442825317,11.1869783401489,-13.8513803482056,76.8781127929688,257.404754638672,15.9924840927124,299.232330322266,0.432473361492157,-4.53778076171875,3.94316291809082,24.0609226226807,20.1655158996582,0.151060804724693,2.2908411026001,0.353728055953979,0.152666792273521,2.73657035827637,-0.111488282680511,0.848939180374146,-0.0365241169929504,2.0,0.847333192825317,0.0,0.61878377199173,53.8116683959961,298.666229248047
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%2C1-3H3,59.976490020752,0.0394658260047436,229.586761474609,-195.130279541016,463.042572021484,94.3133087158203,223.804733276367,-22.9463348388672,22.2594966888428,-110.057289123535,261.165069580078,658.1728515625,22.5517253875732,504.043060302734,0.265791296958923,-12.9421806335449,12.5547914505005,45.2058296203613,43.5262756347656,0.106337606906891,3.3986759185791,0.128366842865944,0.296472698450089,4.08137083053589,-0.345963686704636,0.893662393093109,-0.0406835824251175,1.0,0.703527331352234,0.0,0.820969045162201,167.216384887695,396.803161621094
InChI%3D1S%2FC9H14O2%2Fc1-2-9%2810%2911-8-6-4-3-5-7-8%2Fh2%2C8H%2C1%2C3-7H2,37.9846458435059,0.0323549471795559,256.815185546875,-56.8527755737305,280.077514648438,25.3541126251221,124.903617858887,-12.0673770904541,12.5417776107788,-22.0378932952881,108.566711425781,336.930297851562,18.178897857666,349.646270751953,0.35540983080864,-4.67768812179565,4.86158084869385,24.6091537475586,26.7791023254395,0.0979917868971825,3.81586885452271,0.3285813331604,0.168737486004829,1.16767871379852,-0.146667286753654,0.902008235454559,-0.031131099909544,2.0,0.831262528896332,0.0,0.722536623477936,65.4078674316406,322.223052978516
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InChI%3D1S%2FC6H15NO%2Fc1-3-7%284-2%295-6-8%2Fh8H%2C3-6H2%2C1-2H3,44.3164443969727,0.0298978425562382,198.29118347168,-80.099235534668,240.492218017578,39.2478942871094,117.838996887207,-16.8156223297119,11.8497676849365,-31.7466793060303,95.317138671875,320.591461181641,18.3781051635742,352.025451660156,0.487601637840271,-6.66473531723022,4.69655895233154,28.6653900146484,22.4638957977295,0.111813679337502,16.7052688598633,0.259353280067444,0.249848306179047,2.29497051239014,-0.202096313238144,0.88818633556366,-0.0424270629882812,2.0,0.750151693820953,1.0,0.606779754161835,99.0253448486328,297.316528320312
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