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

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InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H,0.0,0.0,0.0,3.0,1.62483763694763,0.0976628810167313,0.0,0.742307484149933,-0.0319355763494968,0.0,-0.0436616763472557,0.0,0,0.0,0.0267658121883869,0.0,0.0,3.03735184669495,5.0,0.0,0.0,0.0,0.0,0.0,0.531400680541992,5.0,1.0,0.0,1.04039887816043e-09,19.0,1.74279999732971,0.0,0.0,1.0,4.0,0,0.5,0.0,3.0,0.0,0.57289046049118,0.0,0.0,0.381280124187469,0.0,4.28445720672607,147.691741943359,0.0,2.0,0.134143576025963,2.27005553245544,51.9615287780762,0.0461459383368492,0.203862652182579,1.80209517478943,17.8749771118164,0.39484977722168,0.81649661064148,1.81979262828827,57.2095108032227,1.67003893852234,0.0,5.0,0.0,20.1276893615723,0.0,2.25,29.078592300415,25.2621994018555,0.0,1.0,0.0,4.0,6.92400789260864,0.0,0.0,3.76995767936705e-10,1.08967077732086,0.0,92.8363647460938,0.0,-32.6620788574219,0.371153742074966,0.384534329175949,-10.9196281433105,0.0,0.0,0,0.0,0.0,6.0,34.9710578918457,0.0,0.0,0.0,8.80775833129883,0.0,0.333333343267441,0.0,0.0,5.0,0.0,0.0,11.998706817627,2.25,0.0,0,5.76899528503418,0,0.0,4.0,1.75766539573669,2.0,0.420848786830902,2.0,0.0,3.0,0.0,0.0,0.0,18.0,0.0,3.32192802429199,0.0,0.0,2.0,0.601798951625824,0.676475048065186,-91.9740829467773,31.9054126739502,0.0,16.0,0.0,136.281768798828,0.0,0.0,0.40824830532074,46.0650253295898,0,5.03000020980835,0.0,0.0,4.0,0.0,0.618719875812531,0.0,0.0,0.0,0,2.75970983505249,-0.217680633068085,0.0,0.0,-0.0727752670645714,0.0,1.35000002384186,0.0,0.0,0.0,4.0,0,0.223458230495453,0.0,387.357543945312,0,0.0,0.0,0.0,2.64199995994568,0.0,-0.144798561930656,0.0,239.665817260742,2.35320711135864,0.0,0.0,-84.3202362060547,-28.1900482177734,0.0,0,0.0,0.0,0,0.0,0.0,2.5017,0.0,0.0,0.0,2.0,0.0,0.0,1.0,28.1382598876953,0.0,130.380996704102,0.0,0.0,9.85521221160889,0.0,0.40824830532074,0.0,17.5679664611816,0.0,4.57950258255005,17.4255065917969,0,0.0,0.0,0.0,0.0,0.0,250.480194091797,16.0,224.30989074707,4.47903060913086,188.053802490234,25.642,0,72.2740325927734,0.0,0,0.0,0.508299887180328,10.7267932891846,2.07722210884094
InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2,0.0,606.471252441406,0.0,2.0,3.71944761276245,0.443036794662476,0.454545454545455,2.78131771087646,-0.026647724211216,1.40377366542816,-0.243061184883118,4.0,0,0.695703029632568,0.00106764759402722,0.0,0.35623100399971,0.0585639998316765,12.0,0.00247908150777221,0.0,0.0,4.0,0.214285716414452,0.114851489663124,12.0,0.628978788852692,0.0,1.04273819923401,114.0,-0.241999998688698,0.0,5.0,0.0,11.0,0,0.75,0.0,0.0,0.0,0.528482139110565,0.0,0.0,0.467589050531387,0.0,9.723614692688,208.776306152344,0.0,0.0,0.856463849544525,5.54011106491089,382.407073974609,0.0485294386744499,0.230988785624504,4.48929786682129,21.6681652069092,0.204858690500259,3.91238260269165,12.0184459686279,93.2176361083984,4.34738302230835,0.0,12.0,0.0,170.742950439453,1.7799928188324,5.61224489795918,1.27799737453461,50.472599029541,1.66881787776947,0.0,0.753101885318756,3.515625,9.67473411560059,0.0,0.268245965242386,0.153822928667068,1.38870048522949,0.0555555559694767,106.140403747559,0.0,-194.413070678711,0.382951110601425,0.212026298046112,-26.1374988555908,0.0,0.0766553282737732,0,0.0,0.0,24.0,78.91943359375,0.0,0.0,4.0,8.9259614944458,0.0,0.428571432828903,0.0,0.0,12.0,0.0,0.0,11.9988508224487,5.61224508285522,0.0,0,5.58353137969971,0,4.0,3.515625,1.48857665061951,6.0,1.00509333610535,0.0,0.0,7.0,1.10625565052032,2.0,0.0,206.0,1.08679091930389,4.58496236801147,0.0,0.0,16.0,0.721703469753265,0.52447098493576,-28.9426746368408,6.10468912124634,3.96540641784668,50.0,2.0,817.827270507812,0.0,0.0,0.856304705142975,80.2074127197266,0,397.059997558594,0.0,165.659225463867,11.0,4.0,0.532410979270935,0.0,80.92,0.383276641368866,0,6.77882194519043,-0.975195467472076,4.0,0.0,-0.131108328700066,0.0,1.46000003814697,4.0,0.0,4.0,11.0,0,0.11297070235014,0.0,280.836059570312,0,0.0,0.0,0.0,-0.272000014781952,0.0,-0.389359951019287,0.0,237.718978881836,15.6984844207764,0.0,0.0,-435.420196533203,-58.539249420166,0.0,0,0.0,4.0,0,0.0,0.0,-0.7802,0.0,0.200000002980232,0.0,6.0,0.0,5.0,3.61440801620483,101.614059448242,0.0,295.869995117188,0.0,4.0,23.6337184906006,0.0,2.47916269302368,2.0,27.9620876312256,2.86081576347351,25.0925006866455,47.3452606201172,0,3.16954231262207,0.0,0.0,0.0,41.906608581543,681.130615234375,50.0,706.594787597656,9.44039058685303,827.613708496094,51.6152,0,817.472778320312,0.371021211147308,0,80.9199981689453,0.435623586177826,27.8695163726807,5.6267523765564
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InChI%3D1S%2FC2H5Cl%2Fc1-2-3%2Fh2H2%2C1H3,0.0,0.0,0.0,1.0,0.801783740520477,0.0441656224429607,0.0,0.0,-0.01770244166255,0.0,-0.00438037049025297,0.0,0,0.0,0.0,0.0,0.0,1.20340895652771,3.0,0.0,0.0,0.0,0.0,0.0,0.226532354950905,3.0,1.0,0.0,0.393376529216766,6.0,1.09700000286102,0.0,0.0,0.0,2.0,0,1.0,0.0,1.0,1.0,0.781995177268982,0.0,0.0,0.599188566207886,0.0,2.70710682868958,182.808685302734,0.0,0.0,0.131732448935509,1.41421353816986,40.190746307373,0.0203579589724541,0.168018415570259,0.70710676908493,6.2110857963562,0.263882428407669,0.0,1.42314839363098,55.7737846374512,1.22651553153992,0.0,3.0,0.0,12.261944770813,0.0,2.0,5.99859714508057,15.6061000823975,0.0,0.0,0.0,0.0,1.89496338367462,0.0,0.0,0.178759664297104,0.580696702003479,0.0,37.3084030151367,0.0,-8.20230484008789,0.0,0.790209472179413,-4.69398593902588,0.0,0.0,0,0.0,0.0,8.0,34.9693794250488,0.0,0.0,0.0,5.83542585372925,0.0,0.5,0.0,0.0,3.0,0.0,0.0,11.998706817627,2.0,0.0,0,4.60632181167603,0,0.0,0.0,1.86902594566345,2.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,4.0,0.0,2.58496260643005,0.0,0.0,0.0,0.697412073612213,0.499982506036758,60.5236320495605,60.348316192627,0.0,6.0,0.0,67.0752868652344,0.0,0.0,0.0,21.5964756011963,0,43.0099983215332,0.0,0.0,2.0,0.0,0.400811403989792,0.0,0.0,0.0,0,2.20058870315552,-0.0881189554929733,0.0,0.0,-0.0504284016788006,0.0,1.57000005245209,0.0,0.0,0.0,2.0,0,0.0918074995279312,0.0,305.09375,0,1.0,0.0,0.0,1.39800000190735,0.0,-0.219300657510757,0.0,122.285057067871,5.88603496551514,0.0,0.0,-26.8845405578613,-15.3853893280029,0.0,0,0.0,0.0,0,0.0,0.0,1.2451,0.0,0.0,0.0,1.0,0.0,0.0,0.0,10.7127532958984,0.0,59.4749984741211,0.0,0.0,3.95173740386963,0.0,0.0,1.0,2.95173740386963,0.0,3.90391325950623,0.0,0,0.0,0.0,0.0,0.0,0.0,78.7444686889648,6.0,55.1310768127441,2.84100031852722,22.3772716522217,16.394,0,0.0,0.0,0,0.0,0.587048292160034,9.03396511077881,1.50889050960541
InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3,0.0,0.0,0.0,1.0,1.38873016834259,0.0293095912784338,0.0,0.0,-0.0118375355377793,0.0,-0.00281726010143757,0.0,0,0.0,0.0,0.0,0.0,1.54132223129272,3.0,0.0,0.0,0.0,0.0,0.0,0.234540984034538,3.0,1.0,0.0,0.395966619253159,6.0,1.24150002002716,0.0,0.0,0.0,2.0,0,1.0,0.0,0.0,1.0,0.738964915275574,0.0,0.0,0.579734027385712,0.0,2.70710682868958,180.126754760742,0.0,0.0,0.112052418291569,1.41421353816986,34.8153419494629,0.0179837234318256,0.155498325824738,0.70710676908493,5.58764791488647,0.283678025007248,0.0,1.5151549577713,55.9664306640625,1.21876382827759,0.0,3.0,0.0,10.8173294067383,0.0,2.0,6.11727333068848,18.589599609375,0.0,0.0,0.0,0.0,1.7361147403717,0.0,0.0,0.17565755546093,0.639465928077698,0.0,40.5716857910156,0.0,-7.84179496765137,0.0,0.74269026517868,-4.49114608764648,0.0,0.0,0,0.0,0.0,8.0,78.9185180664062,0.0,0.0,0.0,6.99242544174194,0.0,0.5,0.0,0.0,3.0,0.0,0.0,11.9989070892334,2.0,0.0,0,5.42599678039551,0,0.0,0.0,1.82302176952362,2.0,0.0,0.0,0.0,2.0,0.0,2.0,0.0,4.0,0.0,2.58496260643005,0.0,0.0,0.0,0.7523393034935,0.499927848577499,49.5476608276367,63.0193099975586,0.0,6.0,1.0,60.0539894104004,0.0,0.0,0.0,20.0423049926758,0,43.0099983215332,0.0,0.0,2.0,0.0,0.420265972614288,0.0,0.0,0.0,0,2.25419640541077,-0.0812300369143486,0.0,0.0,-0.0465219989418983,0.0,1.57000005245209,0.0,0.0,0.0,2.0,0,0.0830138474702835,0.0,310.705841064453,0,1.0,0.0,0.0,1.73599994182587,0.0,-0.196960434317589,0.0,130.579086303711,6.75603485107422,0.0,0.0,-25.2386474609375,-14.4546566009521,0.0,0,0.0,0.0,0,0.0,0.0,1.4012,0.0,0.0,0.0,1.0,0.0,0.0,0.0,46.2580909729004,0.0,103.925998687744,0.0,0.0,7.65267562866211,0.0,0.0,1.0,6.65267562866211,0.0,4.07795095443726,0.0,0,0.0,0.0,0.0,0.0,0.0,111.527198791504,6.0,78.1987609863281,3.67106771469116,31.3256549835205,19.468,0,0.0,0.0,0,0.0,0.58412903547287,9.9039649963379,2.09583687782288
InChI%3D1S%2FC11H11N3O3%2Fc12-10%2815%296-9-11%2816%2917-13-14%289%297-8-4-2-1-3-5-8%2Fh1-5H%2C6-7H2%2C%28H2-%2C12%2C13%2C15%2C16%29%2Fp%2B1,6.0,1039.58410644531,0.0,0.0,3.93136715888977,0.340355277061462,0.222222222222222,2.61842560768127,-0.151437699794769,1.76062476634979,0.0203722715377808,2.0,0,1.08660686016083,-0.00092504604253918,5.0,0.503806471824646,0.0541958399116993,4.0,-0.124864645302296,5.0,1.0,2.0,0.28986594080925,0.114248722791672,17.0,0.608990073204041,1.0,1.22354996204376,250.0,0.232800006866455,0.0,4.0,1.0,18.0,0,0.800000011920929,0.0,0.0,0.0,0.498537391424179,0.0,0.0,0.589951276779175,1.0,12.2507123947144,299.919403076172,0.0,6.0,1.13141012191772,8.16470336914062,575.186218261719,0.0622521042823792,0.175646349787712,7.34785556793213,31.6477203369141,0.305227398872375,5.43359756469727,26.2852077484131,152.473007202148,5.45722055435181,0.0,13.4320987654321,0.0,292.413116455078,4.48246288299561,6.25,3.52321767807007,64.4306030273438,0.200000002980232,0.0,3.52555847167969,3.72889417360285,16.0890655517578,0.63245552778244,1.85798621177673,0.127244159579277,2.93499493598938,1.31580328941345,105.977157592773,0.0,-203.243255615234,0.454462468624115,0.190218016505241,-26.6198444366455,0.0,0.0565128102898598,0,1.0,0.0,32.0,15.9969272613525,0.0,1.0,4.0,9.4895658493042,0.0,0.444444447755814,0.0,0.096225045621395,13.4320983886719,0.334369868040085,0.0,11.8500003814697,6.25,0.334931492805481,0,4.78477048873901,0,1.0,3.72889423370361,1.32146894931793,2.0,0.805393815040588,1.0,0.0,9.0,1.00985062122345,2.0,0.200000002980232,537.0,1.01169955730438,5.08746290206909,0.25,0.0,21.0,0.703666090965271,0.446073204278946,91.458869934082,6.09434223175049,2.24957680702209,84.0,0.0,974.972351074219,0.0,0.0,1.15082406997681,84.0098266601562,0,817.059997558594,0.0,198.781616210938,18.0,4.0,0.410048693418503,0.0,95.27,0.164266422390938,0,9.61576557159424,-0.786392450332642,6.0,0.0,-0.102997973561287,1.0,2.00999999046326,3.0,0.0,3.0,18.0,0,0.194254517555237,0.0,309.598327636719,0,0.0,0.0,0.0,0.681999981403351,0.0,-0.364911317825317,0.0304290316998959,208.460540771484,18.3141040802002,1.0,0.0887164399027824,-399.7861328125,-52.3621063232422,0.0786565616726875,0,0.0,2.0,0,0.0,0.0,1.5889,11.0,8.1850233078003,6.0,8.0,1.0,4.0,8.36483192443848,20.4033718109131,0.0,222.138995170593,0.0,4.0,20.4082851409912,0.0,2.04312229156494,2.0,28.0409736633301,3.19735455513,55.4984664916992,24.4324111938477,0,4.20879936218262,0.0,0.0,1.0,22.5710258483887,931.722351074219,84.0,1060.87170410156,9.2055549621582,1400.87219238281,60.1683,0,1223.33764648438,0.391009956598282,0,,0.376858323812485,35.0678939819336,5.3290376663208
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InChI%3D1S%2FC12H11ClN2O5S%2Fc13-9-5-10%2815-6-7-2-1-3-20-7%298%2812%2816%2917%294-11%289%2921%2814%2C18%2919%2Fh1-5%2C15H%2C6H2%2C%28H%2C16%2C17%29%28H2%2C14%2C18%2C19%29,11.0,2088.92358398438,0.0,1.0,5.37824773788452,0.647244513034821,0.227272727272727,3.54459095001221,-0.251453310251236,2.42661547660828,-0.0184305366128683,0.0,0,1.357297539711,-0.0321527756750584,0.0,0.848384916782379,0.989826023578644,3.0,0.1481923609972,5.0,0.0,8.0,0.414886564016342,0.210690677165985,21.0,0.862502038478851,0.0,,341.0,-0.994899988174438,1.0,5.0,1.0,22.0,0,1.0,0.0,1.0,0.0,,0.0,0.0,0.524125754833221,0.0,15.6209554672241,240.421432495117,0.0,14.0,0.483418703079224,9.78671264648438,221.748733520508,0.0389411970973015,,9.81699085235596,17.8626956939697,,6.88214731216431,,110.283584594727,,0.0,17.3553719008264,0.0,101.718238830566,5.63892364501953,7.05078125,4.43275213241577,33.6077995300293,1.44224953651428,0.0,3.65180683135986,4.48753462603878,8.19378757476807,0.503952622413635,3.02327489852905,,,1.63835000991821,100.13077545166,1.0,-92.3539657592773,0.922211050987244,0.311814188957214,-13.2819709777832,0.0417188480496407,0.195802465081215,0,1.0,0.0120431939139962,32.0,34.9688529968262,0.0,1.0,6.0,12.252366065979,0.0,0.5,2.0,0.144337564706802,17.3553714752197,0.157617628574371,0.0,11.9989995956421,7.05078125,0.226860836148262,0,4.66960048675537,0,0.0,4.48753452301025,,0.0,1.59498012065887,1.0,0.0,10.0,2.07565832138062,2.0,0.16666667163372,939.0,2.1419529914856,5.39231729507446,0.0,0.0,30.0,,,22.1334209442139,10.887020111084,5.79836463928223,108.0,0.0,423.083068847656,0.0,0.0,2.55978560447693,46.8177795410156,0,669.090026855469,0.288675129413605,63.0716133117676,22.0,5.0,0.475874245166779,1.0,133.84,0.641010880470276,0,,-0.438914716243744,7.0,0.117851130664349,-0.0631229281425476,0.0,1.78999996185303,2.0,1.0,2.0,22.0,0,0.268666207790375,0.0,395.637847900391,0,0.0,0.0,0.0,0.88400000333786,3.0,-0.363529711961746,0.039283711463213,218.288024902344,21.7952766418457,0.0,0.0486111119389534,-201.334335327148,-28.9550838470459,0.0764097943902016,0,0.0,1.0,0,1.0,0.0,1.6368,11.0,4.50480794906616,11.0,9.0,0.0,5.0,11.0896501541138,39.4328269958496,0.0,319.660994529724,0.0,3.0,34.5085258483887,0.0,3.98825263977051,1.0,44.8883018493652,6.10385227203369,,48.3308639526367,0,7.33956098556519,0.0,0.0,5.0,50.9665107727051,1500.37390136719,108.0,1738.45886230469,11.7524185180664,2465.10302734375,73.9211,0,2361.29223632812,0.137497961521149,0,131.009994506836,,39.7447242736816,6.89382648468018
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