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

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InChI%3D1S%2FC39H59Cl2NO2%2Fc1-27%282%297-6-8-28%283%2934-15-16-35-33-14-11-30-26-32%2817-19-38%2830%2C4%2936%2833%2918-20-39%2834%2C35%295%2944-37%2843%2925-29-9-12-31%2813-10-29%2942%2823-21-40%2924-22-41%2Fh9-13%2C27-28%2C32-36H%2C6-8%2C14-26H2%2C1-5H3,28.5515289306641,96.2717361450195,266.674377441406,10.7301111221313,25.4948921203613,-21.5507755279541,72.6661758422852,-3.78737950325012,3.79098439216614,21.4500198364258,16.787691116333,327.808471679688,0.474806219339371,0.228735640645027,21.1303081512451,0.0721614733338356,7.92385768890381,-0.172650307416916,80.8130722045898,0.165455833077431,-0.030341936275363,-60.997932434082,2.0,2.87327408790588,-10.7199077606201,0.927838504314423,0.771264374256134,1.0,0.582152545452118,272.490295410156,0.0303708147257566,191.677230834961,205.67643737793
InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3,50.8624725341797,129.297271728516,395.451049804688,15.7695827484131,49.9519271850586,-47.3872261047363,120.462867736816,-8.14198589324951,6.69343566894531,34.9519195556641,16.9504833221436,374.500366210938,0.338667839765549,0.282318741083145,27.2055168151855,0.117685616016388,8.54535961151123,-0.26302894949913,119.830833435059,0.170934543013573,-0.0451931469142437,-111.64323425293,0.0,0.999872922897339,-19.1823348999023,0.882314383983612,0.717681288719177,0.0,0.668644785881042,304.621459960938,0.0371527820825577,184.790618896484,283.807800292969
InChI%3D1S%2FC14H7Br2NO2%2Fc15-8-5-9%2816%2912%2817%2911-10%288%2913%2818%296-3-1-2-4-7%286%2914%2811%2919%2Fh1-5H%2C17H2,138.594055175781,106.49764251709,651.15234375,17.3517246246338,69.0453796386719,-182.290023803711,140.074249267578,-18.6388282775879,8.59027290344238,55.0008010864258,11.4884490966797,426.02197265625,0.228440493345261,0.565478384494781,38.1115493774414,0.139466643333435,4.0234203338623,-0.74376255273819,279.949890136719,0.148967191576958,-0.0760483890771866,-368.212585449219,3.0,1.26021587848663,-37.6490745544434,0.860533356666565,0.434521615505219,1.0,0.571517765522003,215.117477416992,0.0350492186844349,-64.8324127197266,282.939788818359
InChI%3D1S%2FC7H10N2O%2Fc1-10-7-3-2-5%288%294-6%287%299%2Fh2-4H%2C8-9H2%2C1H3,30.4544277191162,39.1535186767578,178.875122070312,20.6088771820068,58.463077545166,-20.6476669311523,26.545524597168,-6.05528831481934,5.43730545043945,43.5600776672363,5.99282789230347,205.370101928711,0.418331414461136,0.437513679265976,9.52717208862305,0.22159107029438,15.9924993515015,-0.296627998352051,115.430625915527,0.278585582971573,-0.0869913399219513,-78.2603073120117,2.0,9.90991687774658,-22.9512004852295,0.778408944606781,0.562486350536346,2.0,0.381357669830322,148.402557373047,0.0781132876873016,32.9719314575195,100.614807128906
InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3,47.0644454956055,52.8828048706055,164.532409667969,8.29984474182129,0.0,-24.4939594268799,27.5220317840576,-4.44521188735962,2.62394881248474,22.3605480194092,8.90844917297363,316.144348144531,0.243461221456528,0.470892876386642,19.6915512084961,0.0,11.1560001373291,-0.245068863034248,148.8701171875,0.24844266474247,-0.044475581496954,-77.4771347045898,0.0,0.750065922737122,-14.0607032775879,1.0,0.52910715341568,0.0,0.275365591049194,167.274230957031,0.0262533370405436,18.4041118621826,87.0552749633789
InChI%3D1S%2FC3H9O4P%2Fc1-5-8%284%2C6-2%297-3%2Fh1-3H3,25.7241497039795,93.1354217529297,372.779235839844,15.3640756607056,77.4792175292969,-27.8147830963135,100.704650878906,-6.55060434341431,5.29692125320435,34.3645439147949,24.0248622894287,267.280944824219,0.265187621116638,0.216424733400345,18.1191368103027,0.224733680486679,2.43937420845032,-0.234013840556145,74.6146240234375,0.419031977653503,-0.0551121309399605,-80.6786499023438,4.0,1.20035588741302,-19.000467300415,0.775266349315643,0.783575296401978,0.0,0.847257375717163,270.145538330078,0.0445645302534103,195.530914306641,292.1005859375
InChI%3D1S%2FC6H13NO3S%2Fc8-11%289%2C10%297-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2%2C%28H%2C8%2C9%2C10%29,44.3395195007324,100.327125549316,401.471618652344,18.6644248962402,66.3535079956055,-46.801700592041,105.898307800293,-8.55798244476318,7.09902667999268,41.164665222168,21.3476905822754,313.997192382812,0.25900411605835,0.306494414806366,25.6343097686768,0.174453496932983,6.1295747756958,-0.323514133691788,116.57536315918,0.316032499074936,-0.0591565668582916,-123.048812866211,4.0,0.815456986427307,-22.5002422332764,0.825546503067017,0.693505585193634,2.0,0.732016086578369,263.775329589844,0.0490716211497784,147.199951171875,278.422821044922
InChI%3D1S%2FC8H12%2Fc1-2-8-6-4-3-5-7-8%2Fh2-4%2C8H%2C1%2C5-7H2,24.5345897674561,97.6355743408203,171.4638671875,11.8165235519409,0.0,-12.0356302261353,47.8958778381348,-1.85712027549744,4.13021183013916,17.1297397613525,13.118483543396,349.528503417969,0.208656489849091,0.200823083519936,22.0815162658691,0.0,4.65243339538574,-0.0985153019428253,70.1933898925781,0.116024285554886,-0.0152010945603251,-34.4339027404785,0.0,1.61188435554504,-5.31321573257446,1.0,0.799176931381226,0.0,0.392042338848114,279.335113525391,0.0338070392608643,209.141708374023,137.029968261719
InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918,235.382583618164,0.0,874.567199707031,0.0,0.0,-424.30712890625,0.0,-35.3205451965332,0.0,72.8014831542969,5.03999996185303,485.162445068359,0.0877137333154678,1.0,43.7599983215332,0.0,3.46251368522644,-1.80262756347656,485.162445068359,0.126115366816521,-0.150055900216103,-874.567199707031,0.0,0.0,-72.8014831542969,1.0,0.0,0.0,0.0,0.0,0.0,-485.162445068359,0.0
InChI%3D1S%2FC17H13N3O3%2Fc1-11-6-8-14%2815%2810-11%2920%2822%2923%2918-19-17-13-5-3-2-4-12%2813%297-9-16%2817%2921%2Fh2-10%2C18H%2C1H3,164.366775512695,203.153442382812,867.052856445312,20.163330078125,53.9467506408691,-235.081802368164,290.555541992188,-19.3461494445801,12.223705291748,52.0753211975098,17.0856914520264,552.287719726562,0.200345665216446,0.447231948375702,44.2943077087402,0.0889866128563881,9.52267456054688,-0.63964319229126,271.127410888672,0.143894895911217,-0.052639689296484,-387.773742675781,3.0,0.923161268234253,-31.9119930267334,0.91101336479187,0.552768051624298,1.0,0.790583789348602,335.107055664062,0.033259954303503,63.9796295166016,479.279144287109
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,264.531707763672,157.250335693359,1461.44543457031,24.1321125030518,115.020874023438,-595.273132324219,353.858917236328,-39.167552947998,15.6725397109985,84.4411468505859,25.929069519043,534.426635742188,0.152720645070076,0.627176284790039,46.8309288024902,0.177105739712715,3.54033875465393,-1.41132879257202,407.318054199219,0.185181498527527,-0.092862069606781,-916.583923339844,4.0,3.17392110824585,-60.3090362548828,0.822894275188446,0.372823715209961,1.0,0.838961601257324,242.129425048828,0.0371579118072987,-165.18864440918,544.861511230469
InChI%3D1S%2FC11H7N3O3%2Fc15-14%2816%2911-5-4-9%2817-11%298-7-12-10-3-1-2-6-13%288%2910%2Fh1-7H,109.043678283691,119.022178649902,581.693054199219,18.9072380065918,51.8456153869629,-132.820236206055,144.974517822266,-12.4524526596069,9.02938556671143,44.9822616577148,14.1244487762451,425.716796875,0.244399026036263,0.478123635053635,29.7335510253906,0.108563013374805,0.518266439437866,-0.582376658916473,228.333877563477,0.193092212080956,-0.0546002462506294,-278.121215820312,2.0,1.48775994777679,-26.0750255584717,0.891436994075775,0.521876394748688,0.0,0.635669529438019,249.228530883789,0.0395911335945129,20.8946590423584,303.571868896484
InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-1-2-8%286-10%294-3-7%2Fh1-4H2,38.518310546875,84.596923828125,203.67448425293,9.80260848999023,0.0,-22.358772277832,49.1060829162598,-5.12215089797974,3.43951773643494,24.4007129669189,11.9816560745239,350.877807617188,0.276108384132385,0.312863886356354,18.3783435821533,0.0,1.84597837924957,-0.181608498096466,109.776992797852,0.079826757311821,-0.0416045263409615,-63.7223892211914,2.0,1.96371567249298,-14.598105430603,1.0,0.687136113643646,0.0,0.398862779140472,241.100814819336,0.0279373861849308,131.323822021484,139.952087402344
InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2,162.625869750977,101.023124694824,735.795166015625,10.9871053695679,73.9585723876953,-233.041625976562,144.765365600586,-23.9276695251465,5.6415228843689,57.5872611999512,17.6948623657227,439.509033203125,0.194431900978088,0.616827189922333,37.9251365661621,0.144037470221519,4.73984336853027,-0.883908689022064,316.720794677734,0.188113421201706,-0.09075578302145,-453.858459472656,3.0,0.0,-46.600154876709,0.855962514877319,0.383172810077667,0.0,0.549083709716797,196.746826171875,0.0213978551328182,-119.973968505859,281.936676025391
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,51.70458984375,27.3401203155518,143.021636962891,5.25129413604736,0.0,-26.3023414611816,13.908034324646,-8.77112007141113,1.47639560699463,36.4487113952637,6.72603511810303,281.14892578125,0.336679548025131,0.654118299484253,15.1539649963379,0.0,22.1470375061035,-0.332752704620361,183.904647827148,0.192337721586227,-0.11096403002739,-93.5530624389648,0.0,0.0,-31.197416305542,1.0,0.345881730318069,0.0,0.175951480865479,97.244270324707,0.018677981570363,-86.6603775024414,49.4685668945312
InChI%3D1S%2FCH6N2%2Fc1-3-2%2Fh3H%2C2H2%2C1H3,29.274564743042,58.7481651306152,158.917510986328,15.9219560623169,51.2472305297852,-15.6806764602661,31.4679641723633,-4.07201719284058,4.72382545471191,29.6469497680664,5.23924207687378,245.439025878906,0.506360113620758,0.332579612731934,7.96075820922852,0.172732070088387,11.0509309768677,-0.178143486380577,98.6717987060547,0.261896342039108,-0.0462609715759754,-52.8527221679688,2.0,6.79019737243652,-13.7249946594238,0.827267944812775,0.667420387268066,2.0,0.35749813914299,198.014450073242,0.0536659732460976,99.342658996582,106.064788818359
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,119.89640045166,25.611234664917,374.909149169922,11.1807069778442,57.0122413635254,-117.839065551758,25.1717643737793,-17.4706840515137,4.26493215560913,56.9808692932129,3.19320702552795,324.4423828125,0.362385421991348,0.823987007141113,22.9287929534912,0.149460092186928,10.0623168945312,-0.809848010540009,314.313659667969,0.221260190010071,-0.12006713449955,-308.920257568359,0.0,6.47083139419556,-45.800163269043,0.850539922714233,0.176012992858887,1.0,0.172992751002312,67.1409759521484,0.0293107107281685,-247.17268371582,65.988883972168
InChI%3D1S%2FC7H14N2O%2Fc1-7%282%294-5-8-9%283%296-10%2Fh5-7H%2C4H2%2C1-3H3,81.6171722412109,103.262268066406,348.893249511719,10.9313344955444,68.2868194580078,-66.2261962890625,83.7895660400391,-9.19496440887451,4.7002124786377,32.316162109375,18.24289894104,361.689270019531,0.348448485136032,0.441461592912674,24.6571025848389,0.158815383911133,16.4927196502686,-0.358212858438492,189.817916870117,0.25725257396698,-0.0497349202632904,-154.022964477539,3.0,3.0419328212738,-21.3848266601562,0.841184616088867,0.558538436889648,0.0,0.453211903572083,240.158172607422,0.0254231207072735,50.3402442932129,194.87028503418
InChI%3D1S%2FC13H16F3N3O4%2Fc1-3-5-17%286-4-2%2912-10%2818%2820%2921%297-9%2813%2814%2C15%2916%298-11%2812%2919%2822%2923%2Fh7-8H%2C3-6H2%2C1-2H3,193.777252197266,228.363876342773,990.5458984375,9.51159286499023,0.0,-295.425903320312,348.155426025391,-24.5878105163574,6.17990875244141,47.3550720214844,25.5923118591309,649.723876953125,0.177592813968658,0.459034293889999,41.7276878356934,0.0,0.0,-0.699827313423157,298.245544433594,0.273385167121887,-0.0582454800605774,-454.694519042969,1.0,0.0,-37.8434791564941,1.0,0.540965735912323,0.0,0.824737071990967,351.478332519531,0.0146394381299615,53.2328071594238,535.851379394531
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,67.1884994506836,15.4190464019775,103.582420349121,8.87235546112061,21.6366729736328,-24.2142543792725,5.55691480636597,-8.07141876220703,2.55005049705505,36.9551315307617,2.35320711135864,265.778594970703,0.333333343267441,0.813345789909363,8.96679306030273,0.075280174612999,23.0551013946533,-0.29312402009964,233.768005371094,0.712559044361115,-0.0977080091834068,-84.2483215332031,0.0,15.4174060821533,-28.0827751159668,0.92471981048584,0.186654224991798,0.0,0.0672688558697701,53.6472778320312,0.0308694634586573,-180.120727539062,19.3340969085693
InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3,96.3971557617188,127.531181335449,336.660064697266,9.89863204956055,1.76714587211609,-68.5805969238281,90.7305297851562,-8.38236331939697,4.68413829803467,27.6124401092529,21.1248989105225,471.443511962891,0.370579421520233,0.430482149124146,32.4951019287109,0.00373437441885471,0.654867887496948,-0.306261360645294,203.708755493164,0.136465519666672,-0.0374332405626774,-144.926147460938,1.0,0.459207236766815,-17.7138080596924,0.996265649795532,0.569517850875854,0.0,0.405176639556885,269.501922607422,0.0209180228412151,65.7931671142578,191.733901977539
InChI%3D1S%2FCH4N2O%2Fc2-3-1-4%2Fh1H%2C2H2%2C%28H%2C3%2C4%29,21.7470664978027,44.1177520751953,195.562652587891,27.1770706176758,102.025215148926,-16.5714244842529,33.618049621582,-5.78575420379639,6.97476148605347,49.7211875915527,3.7128279209137,154.616195678711,0.458762109279633,0.330177277326584,7.42917203903198,0.39753994345665,16.5664501190186,-0.25159752368927,84.7371673583984,0.287248551845551,-0.0878428667783737,-64.5703430175781,3.0,12.7662439346313,-22.544116973877,0.602460026741028,0.669822692871094,2.0,0.510409832000732,171.904251098633,0.105895102024078,87.1670913696289,130.992309570312
InChI%3D1S%2FC9H10O2%2Fc1-8%2810%2911-7-9-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3,56.0646286010742,92.9317321777344,346.293518066406,14.1778011322021,69.0448913574219,-50.2973937988281,83.3720703125,-8.3533411026001,5.47263765335083,35.8185539245605,13.8060703277588,316.95556640625,0.346717715263367,0.37628185749054,24.111930847168,0.178872555494308,3.71267175674438,-0.337574630975723,145.244979858398,0.288289874792099,-0.056064061820507,-130.303970336914,2.0,2.38444423675537,-21.6407527923584,0.821127414703369,0.62371814250946,0.0,0.559557735919952,240.755493164062,0.0367300100624561,95.5105209350586,215.989547729492
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,50.5597991943359,154.267868041992,453.006469726562,12.6023998260498,42.815013885498,-50.6075668334961,154.413604736328,-7.73230409622192,5.70358037948608,29.687385559082,21.9833126068115,409.763885498047,0.301293849945068,0.246840685606003,29.3546886444092,0.0946023240685463,0.566313445568085,-0.247073888778687,111.714889526367,0.362270295619965,-0.0377502925693989,-111.820434570312,3.0,2.11908173561096,-17.0849857330322,0.905397653579712,0.753159284591675,0.0,0.753870844841003,340.864013671875,0.0278457514941692,229.149124145508,341.18603515625
InChI%3D1S%2FC6H12N2O3%2Fc1-8%282%297-5%289%293-4-6%2810%2911%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C9%29%28H%2C10%2C11%29,42.6856422424316,104.567169189453,509.360565185547,16.8057270050049,132.765182495117,-56.659839630127,138.7998046875,-12.2886056900024,6.44895124435425,48.8293762207031,16.0564842224121,250.970153808594,0.261501520872116,0.289879977703094,23.167516708374,0.345981121063232,8.90693092346191,-0.384779334068298,111.237190246582,0.195351764559746,-0.083452433347702,-147.653427124023,5.0,1.17341792583466,-32.0236473083496,0.654018878936768,0.710120022296906,2.0,0.942595303058624,272.498138427734,0.0437950976192951,161.260955810547,361.707122802734
InChI%3D1S%2FC12HBr9%2Fc13-2-1-3%2814%296%2815%297%2816%294%282%295-8%2817%2910%2819%2912%2821%2911%2820%299%285%2918%2Fh1H,342.58984375,35.1701622009277,550.124145507812,4.40415191650391,0.0,-306.638854980469,31.4794445037842,-32.3679161071777,2.70688796043396,57.0672912597656,12.7032070159912,614.621826171875,0.110931016504765,0.906898140907288,49.2367935180664,0.0,7.6140513420105,-0.811729252338409,557.3994140625,0.107774540781975,-0.0856838077306747,-498.906555175781,0.0,0.630421698093414,-52.6631393432617,1.0,0.093101866543293,0.0,0.083331860601902,57.2224426269531,0.0071656284853816,-500.176971435547,51.2175827026367
InChI%3D1S%2FC4H8Cl2O2%2Fc5-3-7-1-2-8-4-6%2Fh1-4H2,184.402603149414,256.5166015625,1172.25427246094,29.6119174957275,75.60791015625,-325.543731689453,452.853576660156,-24.7879066467285,19.6628303527832,66.9421157836914,22.574104309082,588.409606933594,0.223086312413216,0.418223112821579,44.3478965759277,0.113864332437515,8.32275104522705,-0.738329648971558,277.707458496094,0.118845582008362,-0.0562187023460865,-490.263824462891,4.0,3.36525774002075,-37.3302001953125,0.886135637760162,0.581776916980743,3.0,1.02706694602966,386.310028076172,0.0445950888097286,108.602577209473,681.990417480469
InChI%3D1S%2FC11H17N3O4%2Fc1-12-10-3-2-9%288-11%2810%2914%2817%2918%2913%284-6-15%295-7-16%2Fh2-3%2C8%2C12%2C15-16H%2C4-7H2%2C1H3,149.041549682617,208.464416503906,1020.63848876953,24.5336990356445,102.976776123047,-254.412048339844,355.846099853516,-21.9220581054688,14.6691408157349,61.197681427002,22.4805183410645,494.941253662109,0.231047660112381,0.416892498731613,37.2034797668457,0.172225579619408,7.27745246887207,-0.71163022518158,249.267547607422,0.122897759079933,-0.0613194182515144,-425.496551513672,4.0,1.26693761348724,-36.6639862060547,0.827774405479431,0.583107471466064,3.0,0.995357096195221,348.650482177734,0.0410318747162819,99.382942199707,595.141967773438
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-3-1-2-4-6%285%298%289%2910%2Fh1-4H,80.8442077636719,45.6666069030762,200.966018676758,8.66000843048096,0.0,-45.6780662536621,25.8022480010986,-8.32882976531982,3.08022284507751,32.0764083862305,6.048828125,355.68359375,0.226421847939491,0.639030039310455,18.1111717224121,0.0,15.0231885910034,-0.361060559749603,227.292495727539,0.267208397388458,-0.0658349245786667,-128.423324584961,0.0,1.45377850532532,-23.4164009094238,1.0,0.360969990491867,0.0,0.203952893614769,128.391098022461,0.0243475064635277,-98.9013977050781,72.5427017211914
InChI%3D1S%2FC6H8N2%2Fc7-8-6-4-2-1-3-5-6%2Fh1-5%2C8H%2C7H2,51.9216194152832,73.1329803466797,270.202667236328,19.0785083770752,39.1128273010254,-39.67236328125,55.8795700073242,-5.65915632247925,6.74674415588379,35.0815238952637,7.42565584182739,314.517761230469,0.34882789850235,0.415191620588303,18.0943431854248,0.110603630542755,8.30125427246094,-0.317240327596664,146.824462890625,0.192207485437393,-0.0452534854412079,-112.185890197754,2.0,4.32430791854858,-16.0030174255371,0.889396369457245,0.58480840921402,2.0,0.446841388940811,206.806137084961,0.0539503879845142,59.9816741943359,158.016784667969
InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3,125.443008422852,176.949478149414,335.553619384766,9.38893699645996,0.0,-76.5460662841797,107.975624084473,-8.80291557312012,5.16299772262573,25.3970832824707,21.295726776123,549.902221679688,0.266992032527924,0.414835065603256,29.0842742919922,0.0,1.21885240077972,-0.253134816884995,228.118728637695,0.0736788734793663,-0.0291108936071396,-139.199401855469,1.0,1.49138379096985,-16.0081462860107,1.0,0.585164964199066,0.0,0.357071131467819,321.783508300781,0.0170738287270069,93.6647872924805,196.354217529297
InChI%3D1S%2FC9H12N2O2%2Fc1-7%2813%2910-11-9-4-2-8%286-12%293-5-9%2Fh2-5%2C11-12H%2C6H2%2C1H3%2C%28H%2C10%2C13%29,53.1281700134277,122.220916748047,549.15283203125,24.1564598083496,107.717651367188,-69.6732864379883,160.282836914062,-11.5093622207642,10.1154460906982,51.6417007446289,13.7784843444824,311.029388427734,0.298197209835052,0.302985161542892,27.6455154418945,0.257238000631332,9.18868827819824,-0.397340476512909,126.874137878418,0.167110800743103,-0.0656368583440781,-166.385147094727,4.0,3.53417253494263,-27.4852390289307,0.742761969566345,0.69701486825943,3.0,0.914078533649445,291.872894287109,0.0576874762773514,164.998764038086,382.767669677734
InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296,48.0649261474609,11.4634294509888,162.942230224609,15.6889667510986,46.9842834472656,-32.0996284484863,7.6557240486145,-8.02490711212158,3.82786202430725,48.5800399780273,4.81199979782104,197.000045776367,0.25,0.807429075241089,5.7480001449585,0.19257090985775,11.8549556732178,-0.539232552051544,197.000045776367,0.5,-0.134808138012886,-131.564300537109,0.0,18.4289093017578,-32.8910751342773,0.807429075241089,0.19257090985775,0.0,0.128606349229813,46.9842834472656,0.0643031746149063,-150.015762329102,31.3779335021973
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3,39.9805335998535,69.9869537353516,274.081451416016,15.8795013427734,76.8942794799805,-33.044261932373,57.8448371887207,-7.20554876327515,5.26585674285889,37.6082611083984,10.6616563796997,254.719192504883,0.436047166585922,0.363566845655441,19.2583446502686,0.231879234313965,16.2056560516357,-0.300491183996201,120.563659667969,0.263501137495041,-0.0655243545770645,-99.6469268798828,0.0,5.6135048866272,-21.7287578582764,0.768120765686035,0.636433184146881,1.0,0.526017606258392,211.0498046875,0.047885574400425,90.4861450195312,174.434524536133
InChI%3D1S%2FC9H4Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-4H,130.071929931641,79.6533660888672,544.9453125,14.9245204925537,96.8894271850586,-154.778671264648,94.7832641601562,-17.4393768310547,6.83479976654053,53.0052757263184,11.8088283538818,361.068328857422,0.229636758565903,0.620201408863068,30.6511726379395,0.211568489670753,7.62540006637573,-0.738006711006165,284.026062011719,0.277622014284134,-0.0831534266471863,-337.975891113281,3.0,0.0,-38.0807571411133,0.788431525230408,0.37979856133461,0.0,0.451940089464188,173.931686401367,0.0325892977416515,-110.094360351562,206.969451904297
InChI%3D1S%2FC18H23NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C14-15%2C20%2C23H%2C2%2C5-10H2%2C1H3,190.038879394531,304.873840332031,1791.73193359375,24.2611255645752,131.61491394043,-484.006500244141,776.477478027344,-30.6732921600342,17.0677108764648,67.8620910644531,32.8717613220215,571.885437011719,0.153866082429886,0.38398465514183,52.9282379150391,0.187085792422295,4.77630519866943,-0.977963387966156,270.133331298828,0.11800279468298,-0.0619771778583527,-687.99755859375,7.0,0.0,-43.6009635925293,0.812914192676544,0.616015374660492,2.0,1.56891810894012,433.367004394531,0.0344863049685955,163.233673095703,1103.734375
InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29,34.6472511291504,57.805850982666,283.776519775391,14.9217748641968,114.704429626465,-32.335865020752,53.9495086669922,-8.0653829574585,4.5371298789978,41.4473152160645,9.56844902038574,189.356582641602,0.349160969257355,0.374754905700684,12.6515512466431,0.377241492271423,13.4438934326172,-0.349754273891449,113.948356628418,0.295053899288177,-0.0872375518083572,-106.346641540527,3.0,2.21769237518311,-26.5255393981934,0.622758507728577,0.625245094299316,2.0,0.583533763885498,190.112655639648,0.049074936658144,76.164306640625,177.429870605469
InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2,35.8482437133789,68.3764343261719,111.434829711914,16.9699287414551,62.7042274475098,-12.3738126754761,23.6016368865967,-6.58032274246216,5.47854566574097,37.3526382446289,3.93962097167969,260.134246826172,0.745722830295563,0.34395158290863,8.38037872314453,0.194227859377861,46.7599716186523,-0.118722483515739,111.040802001953,0.416630834341049,-0.0631359368562698,-38.3281860351562,1.0,28.2096347808838,-20.3827095031738,0.805772125720978,0.65604841709137,0.0,0.226449608802795,211.797668457031,0.0525647662580013,100.756866455078,73.1066436767578
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,63.5803642272949,10.6695623397827,153.781265258789,3.21209812164307,0.0,-35.8821449279785,6.02146291732788,-8.97053623199463,0.875259459018707,36.1329002380371,3.86641407012939,272.488403320312,0.25,0.85630202293396,13.5735864639282,0.0,13.8313856124878,-0.483261704444885,233.332366943359,0.354643374681473,-0.120815426111221,-131.683212280273,0.0,0.0,-32.9208030700684,1.0,0.143697962164879,0.0,0.0810972228646278,39.1560249328613,0.0117880180478096,-194.176345825195,22.0980529785156
InChI%3D1S%2FC2H8N2%2Fc1-3-4-2%2Fh3-4H%2C1-2H3,18.4687366485596,53.2188339233398,140.18879699707,12.9885444641113,49.008846282959,-9.67004585266113,27.8648509979248,-3.42581915855408,3.47762250900269,25.7836093902588,8.74565601348877,218.73649597168,0.497684478759766,0.25762814283371,11.0543441772461,0.183042749762535,16.9300098419189,-0.134891539812088,68.9787368774414,0.268374055624008,-0.0477881878614426,-36.1165809631348,2.0,6.13884115219116,-12.7950649261475,0.816957235336304,0.74237185716629,2.0,0.388698488473892,198.7666015625,0.0485108159482479,129.787857055664,104.072212219238
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InChI%3D1S%2FC6H8O%2Fc1-2-3-4-5-6-7%2Fh2-6H%2C1H3,52.5252571105957,97.6129608154297,224.772659301758,18.6388072967529,58.9797286987305,-30.4695510864258,56.6246223449707,-8.23304843902588,7.2221040725708,39.886661529541,9.70365619659424,328.497009277344,0.513765335083008,0.349846035242081,16.6963443756104,0.152214884757996,30.3017425537109,-0.202943339943886,135.557189941406,0.245679840445518,-0.0548364594578743,-78.6358184814453,1.0,12.3466272354126,-21.2478523254395,0.847785115242004,0.650153994560242,0.0,0.377149969339371,251.919540405273,0.0481030382215977,116.362342834473,146.136840820312
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InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3%2C5-8H%2C1%2C4H2%2C2H3,42.4256324768066,126.922790527344,315.575958251953,16.4732685089111,18.9384441375732,-32.5343132019043,97.3313903808594,-5.01017951965332,6.77907371520996,28.6480922698975,15.0344839096069,392.581207275391,0.454656660556793,0.250522762537003,26.4035167694092,0.0460207536816597,8.61048984527588,-0.192114666104317,103.095039367676,0.0980195105075836,-0.0295850392431021,-79.0589599609375,0.0,0.554864645004272,-12.1748247146606,0.953979253768921,0.74947726726532,0.0,0.574740469455719,308.424621582031,0.0400303304195404,205.329574584961,236.516998291016
InChI%3D1S%2FC6H12N2%2Fc1-3-5-7-8-6-4-2%2Fh3-4%2C7-8H%2C1-2%2C5-6H2,64.2654571533203,141.950042724609,391.546661376953,18.880277633667,16.2282886505127,-55.4115715026855,122.393508911133,-7.01371049880981,8.57371425628662,34.325252532959,13.118483543396,437.881256103516,0.293639183044434,0.311642229557037,20.7615165710449,0.035736508667469,2.89720988273621,-0.268707126379013,141.519714355469,0.163795292377472,-0.0340115614235401,-122.022476196289,2.0,2.62340474128723,-15.444974899292,0.964263498783112,0.688357770442963,2.0,0.593522369861603,312.58984375,0.0415764786303043,171.070129394531,269.524169921875
InChI%3D1S%2FC30H22O12%2Fc1-5-3-7%2831%299-11%2819%285%2933%2927%2841%2929-13-14-24%2838%2917%2829%2926%2840%2916-22%2836%2910-8%2832%294-6%282%2920%2834%2912%2810%2928%2842%2930%2814%2C16%2918%2823%2813%2937%2925%2839%2915%2829%2921%289%2935%2Fh3-4%2C13-14%2C17-18%2C23-24%2C31-38H%2C1-2H3,594.645080566406,503.499267578125,4479.255859375,41.0129585266113,401.404052734375,-2541.7568359375,2152.16235351562,-120.680923461914,42.978458404541,156.174880981445,27.8825531005859,646.519775390625,0.0916309207677841,0.5414999127388,77.0934448242188,0.383046984672546,3.4341607093811,-2.31459259986877,567.45068359375,0.0510170608758926,-0.109895318746567,-2425.51684570312,8.0,0.399525076150894,-115.161926269531,0.616953015327454,0.4585000872612,8.0,1.95981729030609,480.47314453125,0.0391373485326767,-86.9775238037109,2053.7392578125
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InChI%3D1S%2FC2H5N%2Fc1-2-3-1%2Fh3H%2C1-2H2,5.69038200378418,35.1532859802246,63.3724250793457,8.77567577362061,28.1565246582031,-1.78434717655182,11.0231037139893,-1.78434717655182,1.77354788780212,17.6047878265381,6.12603521347046,173.941635131836,1.0,0.139321029186249,7.95396518707275,0.139321029186249,28.1565246582031,-0.0436872430145741,28.1565246582031,0.389146417379379,-0.0436872430145741,-8.82911109924316,1.0,10.40793800354,-8.82911109924316,0.860678970813751,0.860678970813751,1.0,0.269885241985321,173.941635131836,0.0434228368103504,145.785110473633,54.5433120727539
InChI%3D1S%2FC3H5Cl%2Fc1-2-3-4%2Fh2-3H%2C1H3,41.0996055603027,64.6138916015625,82.7519760131836,7.83543491363525,0.0,-10.4604606628418,16.4451961517334,-4.39214277267456,2.54758286476135,21.3440628051758,5.88603496551514,325.136108398438,0.547146081924438,0.388782948255539,10.7939653396606,0.0,42.6473045349121,-0.0989510342478752,126.407379150391,0.3219895362854,-0.041547603905201,-32.1725578308105,0.0,7.53620624542236,-13.5086269378662,1.0,0.611217021942139,0.0,0.155563816428185,198.728744506836,0.0240989364683628,72.3213577270508,50.579418182373
InChI%3D1S%2FC3H5ClO%2Fc1-3%284%292-5%2Fh2-3H%2C1H3,38.3461303710938,54.7590866088867,152.393493652344,13.8345375061035,51.9454498291016,-19.1514186859131,27.3486328125,-8.16524028778076,4.22135257720947,40.5942802429199,6.84403514862061,253.186019897461,0.601967394351959,0.41185799241066,11.595965385437,0.170239567756653,31.2694664001465,-0.205696508288383,125.670837402344,0.286625176668167,-0.0876990631222725,-62.764476776123,1.0,16.1800842285156,-26.759744644165,0.829760432243347,0.588141977787018,0.0,0.29373899102211,179.460632324219,0.0453395955264568,53.789794921875,89.6290130615234
InChI%3D1S%2FC5H10N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H2,23.616039276123,92.3818054199219,143.089401245117,8.97875022888184,0.0,-9.92177963256836,38.8122634887695,-2.58139753341675,3.05802392959595,16.5580654144287,12.55006980896,340.584564208984,0.387785345315933,0.2035903185606,18.4699306488037,0.0,1.30201923847198,-0.0855341702699661,69.3397216796875,0.107013434171677,-0.0222538411617279,-29.1316184997559,1.0,2.22294759750366,-7.57931470870972,1.0,0.796409666538239,0.0,0.334594696760178,271.244842529297,0.0263627637177706,201.905120849609,113.957786560059
InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2,24.0833396911621,115.481315612793,287.566864013672,12.8454561233521,15.1385498046875,-18.5382099151611,88.8920288085938,-1.72544276714325,4.79885101318359,17.4640827178955,25.3984832763672,358.444976806641,0.326152205467224,0.172560453414917,28.3915157318115,0.0405225269496441,2.18055653572083,-0.132828831672668,64.4657440185547,0.157511442899704,-0.0123630343005061,-49.6226654052734,3.0,0.0,-4.6186261177063,0.959477484226227,0.827439546585083,0.0,0.636923611164093,309.117797851562,0.0343844257295132,244.652053833008,237.944183349609
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InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,49.0724143981934,55.83447265625,71.5610275268555,8.92767333984375,0.0,-10.8420648574829,12.3360748291016,-5.56954145431519,2.89161396026611,26.1232776641846,3.69962096214294,323.893341064453,0.631549954414368,0.467771142721176,7.70037889480591,0.0,52.8239517211914,-0.103349409997463,151.507949829102,0.369666755199432,-0.0530903302133083,-33.4741859436035,0.0,10.6474771499634,-17.1956043243408,1.0,0.532228827476501,0.0,0.117590703070164,172.385375976562,0.0275636222213507,20.877420425415,38.0868453979492
InChI%3D1S%2FC2H5Cl%2Fc1-2-3%2Fh2H2%2C1H3,37.3084030151367,55.7737846374512,67.0752868652344,6.2110857963562,0.0,-8.20230484008789,12.261944770813,-4.69398593902588,1.89496338367462,21.5964756011963,5.88603496551514,305.09375,0.790209472179413,0.400811403989792,9.03396511077881,0.0,60.348316192627,-0.0881189554929733,122.285057067871,0.226532354950905,-0.0504284016788006,-26.8845405578613,0.0,5.99859714508057,-15.3853893280029,1.0,0.599188566207886,0.0,0.131732448935509,182.808685302734,0.0203579589724541,60.5236320495605,40.190746307373
InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3,40.5716857910156,55.9664306640625,60.0539894104004,5.58764791488647,0.0,-7.84179496765137,10.8173294067383,-4.49114608764648,1.7361147403717,20.0423049926758,6.75603485107422,310.705841064453,0.74269026517868,0.420265972614288,9.90396499633789,0.0,63.0193099975586,-0.0812300369143486,130.579086303711,0.234540984034538,-0.0465219989418983,-25.2386474609375,0.0,6.11727333068848,-14.4546566009521,1.0,0.579734027385712,0.0,0.112052418291569,180.126754760742,0.0179837234318256,49.5476608276367,34.8153419494629
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%2B1,110.047912597656,189.982650756836,1876.34460449219,39.2907180786133,272.376525878906,-376.974243164062,650.794372558594,-39.8008079528809,21.5215091705322,111.953010559082,29.5777263641357,275.373962402344,0.110938206315041,0.366789013147354,39.2542724609375,0.497263878583908,2.60650014877319,-1.25645267963409,200.908843994141,0.0621478781104088,-0.132655844092369,-688.222595214844,12.0,0.234536036849022,-72.6622924804688,0.502736151218414,0.633211016654968,6.0,2.1690936088562,346.841613769531,0.0717310532927513,145.932769775391,1188.12194824219
InChI%3D1S%2FC7H9N%2Fc1-6-3-2-4-7%288%295-6%2Fh2-5H%2C8H2%2C1H3,46.9752311706543,100.90258026123,229.287628173828,17.3844184875488,39.2895431518555,-28.0090293884277,60.1632652282715,-6.11316108703613,6.68515825271606,33.2813873291016,9.17886257171631,345.259307861328,0.50722873210907,0.317662477493286,19.4211368560791,0.102170489728451,19.928783416748,-0.18940657377243,122.15673828125,0.208133935928345,-0.0413392707705498,-72.8360824584961,1.0,6.58421897888184,-15.8969688415527,0.897829532623291,0.682337522506714,1.0,0.406844437122345,262.39208984375,0.0452073104679585,140.235366821289,156.451553344727
InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3,46.773323059082,60.3912506103516,124.793998718262,8.44441223144531,0.0,-17.8306140899658,23.0219497680664,-7.65919399261475,2.76436305046082,31.8412666320801,7.39924192428589,327.360015869141,0.449470728635788,0.436462551355362,13.64075756073,0.0,30.8166656494141,-0.166385337710381,142.880386352539,0.199925646185875,-0.0714713260531425,-54.4679069519043,0.0,2.89848756790161,-23.3968544006348,1.0,0.563537418842316,0.0,0.214827984571457,184.479629516602,0.025795491412282,41.599235534668,70.3260879516602
InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,64.7490539550781,135.129653930664,536.722717285156,25.1595115661621,56.425048828125,-77.732048034668,162.224838256836,-9.13720035552979,11.2482633590698,45.597110748291,13.7144842147827,390.652923583984,0.258128225803375,0.323941737413406,32.1235160827637,0.126208513975143,3.6020872592926,-0.388896077871323,144.827209472656,0.103372484445572,-0.0457137227058411,-173.86686706543,2.0,3.1192102432251,-20.4375991821289,0.873791456222534,0.676058292388916,2.0,0.81161642074585,302.250762939453,0.0562754459679127,157.423553466797,362.855804443359
InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H,55.9671173095703,72.6619491577148,210.0673828125,17.3356761932373,47.3318748474121,-32.7809867858887,42.5594596862793,-7.36452865600586,6.2174220085144,37.8697624206543,7.51724195480347,311.317077636719,0.507710754871368,0.435104757547379,17.1227588653564,0.131972715258598,24.0308990478516,-0.25484898686409,156.049865722656,0.255588263273239,-0.0572540014982224,-91.4013214111328,1.0,11.4459781646729,-20.5340881347656,0.86802726984024,0.564895272254944,0.0,0.33086970448494,202.599090576172,0.0483360588550568,46.5492248535156,118.666069030762
InChI%3D1S%2FC10H8Cl8%2Fc1-4-7%282-11%2C3-12%299%2816%296%2814%295%2813%298%284%2C15%2910%289%2C17%2918%2Fh5-6H%2C1-3H2,191.634872436523,67.6051788330078,706.767883300781,7.26174306869507,0.0,-266.011413574219,93.8438262939453,-29.9245491027832,3.69736170768738,66.0345687866211,12.105655670166,509.156219482422,0.124163895845413,0.739217817783356,40.3743438720703,0.0,6.56985950469971,-1.02612006664276,376.377349853516,0.163230746984482,-0.115431807935238,-522.455383300781,0.0,0.0,-58.7728233337402,1.0,0.260782152414322,0.0,0.361995875835419,132.778854370117,0.0142623083665967,-243.598510742188,184.312438964844
InChI%3D1S%2FC22H28O3%2Fc1-4-22%2825-14%282%2923%2912-10-20-19-7-5-15-13-16%2824%296-8-17%2815%2918%2819%299-11-21%2820%2C22%293%2Fh1%2C13%2C17-20H%2C5-12H2%2C2-3H3,87.6981887817383,301.651306152344,972.184753417969,20.6388454437256,79.2533340454102,-136.637405395508,469.985229492188,-16.8947734832764,12.8782014846802,47.7147254943848,34.4417953491211,544.725402832031,0.189779549837112,0.225242853164673,59.7962036132812,0.127012863755226,0.643160045146942,-0.350937694311142,140.546752929688,0.166522175073624,-0.0433923080563545,-218.977661132812,3.0,0.345635235309601,-27.0758800506592,0.872987151145935,0.774757146835327,0.0,1.20710372924805,483.432006835938,0.0330761969089508,342.88525390625,753.207092285156
InChI%3D1S%2FC7H10N2OS%2Fc1-2-3-5-4-6%2810%299-7%2811%298-5%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C8%2C9%2C10%2C11%29,52.0034408569336,92.1635055541992,379.62744140625,15.7169313430786,70.5181579589844,-51.9944343566895,92.1475372314453,-9.784348487854,5.96761226654053,41.4860191345215,15.8520698547363,309.175048828125,0.344647526741028,0.360716819763184,24.8899307250977,0.185724049806595,12.4947118759155,-0.360654324293137,136.961730957031,0.219496220350266,-0.0678681805729866,-136.938003540039,2.0,4.96738719940186,-25.7690887451172,0.814275979995728,0.639283180236816,1.0,0.639172434806824,242.731491088867,0.0413937643170357,105.769760131836,242.689437866211
InChI%3D1S%2FC24H51O4P%2Fc1-7-13-16-22%2810-4%2919-26-29%2825%2C27-20-23%2811-5%2917-14-8-2%2928-21-24%2812-6%2918-15-9-3%2Fh22-24H%2C7-21H2%2C1-6H3,87.3472442626953,685.423767089844,1880.30834960938,21.7931079864502,49.8337173461914,-186.83268737793,1466.09741210938,-12.8828182220459,19.1577529907227,36.4480972290039,69.9395599365234,829.240234375,0.132349222898483,0.113031208515167,83.0844421386719,0.056688878685236,0.719908714294434,-0.241769790649414,99.36279296875,0.212210521101952,-0.0166709385812283,-212.53352355957,4.0,0.561135411262512,-14.6549873352051,0.943311095237732,0.886968791484833,0.0,1.8971951007843,779.711181640625,0.0247909836471081,680.348388671875,1667.77478027344
InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3,43.655345916748,119.657600402832,365.922241210938,12.6512336730957,53.6195411682129,-39.5290107727051,108.347473144531,-7.50304126739502,5.11261606216431,31.2176036834717,18.178897857666,350.500427246094,0.343967795372009,0.267310976982117,25.0191020965576,0.132682234048843,3.75179624557495,-0.242044553160667,108.02571105957,0.289350479841232,-0.0459427200257778,-97.8150405883789,2.0,1.02826404571533,-18.566370010376,0.867317736148834,0.732689023017883,0.0,0.663434684276581,296.094268798828,0.0313056372106075,188.068542480469,268.107208251953
InChI%3D1S%2FC10H9Cl7%2Fc1-4-6%282%2C3%298%2813%295%2811%297%284%2C12%299%2814%2C15%2910%288%2C16%2917%2Fh5H%2C1H2%2C2-3H3,141.012664794922,57.3299713134766,558.473449707031,4.64049386978149,0.0,-176.828643798828,71.8912811279297,-19.8207740783691,2.06667518615723,49.1458778381348,12.778862953186,445.356750488281,0.130952432751656,0.710954904556274,38.8611373901367,0.0,6.11284399032593,-0.89153116941452,316.628570556641,0.19543331861496,-0.0999319851398468,-397.049438476562,0.0,0.0,-44.5053863525391,1.0,0.289045125246048,0.0,0.362460047006607,128.72819519043,0.0104197226464748,-187.900360107422,161.424026489258
InChI%3D1S%2FC10H6Cl8%2Fc11-3-1-2-4%285%283%2912%299%2816%297%2814%296%2813%298%282%2C15%2910%289%2C17%2918%2Fh2-5H%2C1H2,261.519561767578,76.3413314819336,697.526000976562,8.67315673828125,1.32084333896637,-313.830841064453,91.6117477416992,-38.3447074890137,5.04134225845337,74.6416320800781,9.9192419052124,579.937194824219,0.13970097899437,0.77404510974884,39.0407562255859,0.0022723872680217,8.45933437347412,-0.928875923156738,449.919921875,0.191200703382492,-0.113492585718632,-539.916564941406,0.0,0.252546161413193,-65.9684753417969,0.997727632522583,0.225954920053482,0.0,0.271152257919312,131.338104248047,0.0149213541299105,-318.581817626953,157.609436035156
InChI%3D1S%2FC12H9N%2Fc1-3-7-11-9%285-1%2910-6-2-4-8-12%2810%2913-11%2Fh1-8%2C13H,45.8228187561035,91.6539154052734,256.268188476562,15.7576704025269,11.250828742981,-31.6710109710693,63.3477401733398,-3.32952499389648,5.84260606765747,24.737491607666,10.4988632202148,359.527709960938,0.372646331787109,0.333313256502151,28.2211360931396,0.0303437951952219,4.19257974624634,-0.230373606085777,123.585411071777,0.193317487835884,-0.0242188256233931,-85.4175872802734,1.0,4.14400482177734,-8.97982120513916,0.969656229019165,0.666686713695526,1.0,0.460788816213608,247.193145751953,0.0424988716840744,123.607727050781,170.850601196289
InChI%3D1S%2FC13H11ClO%2Fc14-12-6-7-13%2815%2911%289-12%298-10-4-2-1-3-5-10%2Fh1-7%2C9%2C15H%2C8H2,97.205078125,129.720550537109,449.399322509766,21.4146633148193,66.4057006835938,-91.7021636962891,122.376892089844,-12.4718265533447,10.2012414932251,47.5957870483398,12.4452772140503,409.96142578125,0.381714940071106,0.428356558084488,33.1967239379883,0.139400258660316,12.8166828155518,-0.404106706380844,204.054977416992,0.230868622660637,-0.0549599714577198,-192.503143310547,0.0,7.57921409606934,-26.1811237335205,0.860599756240845,0.571643471717834,1.0,0.539281904697418,272.312133789062,0.0449541173875332,68.2571640014648,256.896179199219
InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,28.0468502044678,98.7248764038086,306.652648925781,16.337438583374,33.3917846679688,-24.1556987762451,85.0280227661133,-4.46181583404541,5.81694793701172,28.8688640594482,13.2812767028809,322.658386230469,0.402958989143372,0.221239015460014,23.316722869873,0.0937839299440384,4.94607639312744,-0.190544858574867,78.7721862792969,0.144185394048691,-0.0351956710219383,-67.8435287475586,1.0,2.85794997215271,-12.5314245223999,0.906216084957123,0.778760969638824,1.0,0.670717597007751,277.277984619141,0.0458852164447308,198.505798339844,238.809112548828
InChI%3D1S%2FC4H8N2O%2Fc1-3-5-6%282%294-7%2Fh3-4H%2C1-2H3,24.3687896728516,86.0329055786133,218.989334106445,19.080810546875,102.183181762695,-16.0608692169189,56.7021713256836,-5.51594638824463,6.33993339538574,35.6817321777344,11.6836557388306,230.084320068359,0.428994536399841,0.220728397369385,15.3763437271118,0.307532876729965,19.1566905975342,-0.145476654171944,73.3408737182617,0.316717892885208,-0.0499625168740749,-48.3371658325195,3.0,13.7054424285889,-16.6009197235107,0.692467153072357,0.779271602630615,0.0,0.513598740100861,258.926635742188,0.0574260540306568,185.585754394531,170.65217590332
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,15.2932271957397,74.9232482910156,130.782531738281,10.8523740768433,26.2290344238281,-6.6589527130127,32.6229629516602,-3.20174932479858,3.25962543487549,21.5120601654053,10.6616563796997,274.131561279297,0.874144494533539,0.169517010450363,13.1763439178467,0.0873251557350159,22.9279670715332,-0.0738108232617378,50.9162254333496,0.129341155290604,-0.0354896299540997,-22.1698627471924,1.0,3.45930123329163,-10.6596851348877,0.912674844264984,0.830483019351959,0.0,0.361607581377029,249.444351196289,0.0361311547458172,198.528121948242,108.612663269043
InChI%3D1S%2FC19H20N2O2%2Fc1-2-3-14-17-18%2822%2920%2815-10-6-4-7-11-15%2921%2819%2817%2923%2916-12-8-5-9-13-16%2Fh4-13%2C17H%2C2-3%2C14H2%2C1H3,318.086669921875,417.177764892578,1343.19128417969,36.171802520752,120.365211486816,-498.266357421875,653.487487792969,-28.9128608703613,31.0164394378662,69.890380859375,26.4201393127441,737.110412597656,0.177294686436653,0.432615339756012,50.5798606872559,0.140371590852737,5.07439708709717,-0.677669584751129,370.957092285156,0.149024114012718,-0.0393230766057968,-581.085144042969,4.0,0.309316098690033,-33.7185821533203,0.859628438949585,0.567384660243988,0.0,0.888778805732727,486.518524169922,0.0421840623021126,115.561424255371,762.106201171875
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InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,92.8682174682617,0.0,201.849624633789,0.0,0.0,-61.5122337341309,0.0,-10.2520389556885,0.0,33.6416053771973,2.51999998092651,304.742858886719,0.16666667163372,1.0,16.6000003814697,0.0,8.48928165435791,-0.662360489368439,304.742858886719,0.5,-0.110393412411213,-201.849624633789,0.0,0.0,-33.6416053771973,1.0,0.0,0.0,0.0,0.0,0.0,-304.742858886719,0.0
InChI%3D1S%2FC9H8N4O2S%2Fc10-12-9-11-8%285-16-9%296-1-3-7%284-2-6%2913%2814%2915%2Fh1-5H%2C10H2%2C%28H%2C11%2C12%29,93.2197875976562,109.611755371094,615.241271972656,21.7098236083984,25.7414245605469,-127.346153259277,149.738967895508,-11.4612588882446,9.77741527557373,47.1584625244141,12.2816562652588,424.626800537109,0.20823435485363,0.459592163562775,30.0783443450928,0.0571563951671124,0.441576570272446,-0.627841949462891,206.985717773438,0.104883171617985,-0.0565062910318375,-282.760070800781,3.0,2.37359595298767,-25.4486389160156,0.942843616008759,0.540407836437225,2.0,0.738242983818054,243.382522583008,0.0482046045362949,36.3968086242676,332.481201171875
InChI%3D1S%2FC12H14N4%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%2Fh1-6H%2C13-16H2,90.0093688964844,152.623306274414,736.536376953125,29.8970985412598,97.2224731445312,-134.588287353516,228.213012695312,-16.0804538726807,14.7266397476196,62.5426216125488,12.6648979187012,395.355102539062,0.201304972171783,0.370969712734222,34.8551025390625,0.197374954819679,4.4704065322876,-0.554699778556824,182.731353759766,0.0829052925109863,-0.0662748888134956,-273.232666015625,4.0,1.29299449920654,-32.6455268859863,0.802625060081482,0.629030287265778,4.0,0.940569996833801,309.846221923828,0.0606952048838139,127.114860534668,463.303680419922
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,68.2801284790039,16.2471618652344,98.6959228515625,8.63898277282715,22.0140552520752,-23.1790218353271,5.51541566848755,-7.61916828155518,2.51166152954102,34.8454856872559,3.22320699691772,268.721710205078,0.36738058924675,0.807787954807281,9.83679294586182,0.0757184252142906,24.3019962310791,-0.274219363927841,234.852874755859,0.710292398929596,-0.0901385545730591,-79.7253799438477,0.0,15.6364164352417,-26.2065029144287,0.924281597137451,0.192212015390396,0.0,0.0652501136064529,55.8829116821289,0.0297142062336206,-178.969955444336,18.9705429077148
InChI%3D1S%2FC7H7NO3%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3,53.1971588134766,64.778938293457,266.741180419922,11.4185352325439,10.7365322113037,-41.3125,50.3068237304688,-6.15312337875366,3.92199850082397,29.33278465271,10.8244485855103,332.739959716797,0.445908278226852,0.450914710760117,20.4935512542725,0.0312584191560745,4.78750848770142,-0.350176870822906,154.878601074219,0.201315388083458,-0.052155677229166,-120.277519226074,0.0,0.60778534412384,-17.914249420166,0.968741595745087,0.549085319042206,0.0,0.426415383815765,188.597885131836,0.0332440100610256,33.7192878723145,146.463653564453
InChI%3D1S%2FC7H9NO%2Fc1-9-7-5-3-2-4-6%287%298%2Fh2-5H%2C8H2%2C1H3,29.64231300354,87.290771484375,286.873229980469,18.439432144165,33.0334854125977,-24.8675727844238,73.2301025390625,-4.49192571640015,6.3054518699646,31.5754528045654,11.0948629379272,308.921325683594,0.413690388202667,0.253498077392578,20.2231369018555,0.0966019108891487,5.13670444488525,-0.212664976716042,86.6848831176758,0.148024991154671,-0.0384144969284534,-72.721809387207,1.0,3.83784985542297,-13.136022567749,0.903398096561432,0.746501922607422,1.0,0.626256465911865,255.269912719727,0.0539235919713974,168.585021972656,214.151412963867
InChI%3D1S%2FC7H8N2O2%2Fc8-9-6-3-1-5%282-4-6%297%2810%2911%2Fh1-4%2C9H%2C8H2%2C%28H%2C10%2C11%29,60.3217163085938,87.0493850708008,484.545288085938,31.5035247802734,167.953186035156,-76.1380767822266,109.873741149902,-12.2979516983032,12.0938711166382,63.5386657714844,8.3836555480957,215.936264038086,0.259614020586014,0.409318506717682,21.4583435058594,0.437504053115845,7.11995267868042,-0.516641855239868,157.133041381836,0.230241656303406,-0.0834488645195961,-198.333343505859,4.0,6.97288036346436,-32.0351409912109,0.562495946884155,0.590681493282318,3.0,0.745558261871338,226.756393432617,0.0820640549063683,69.6233444213867,286.211944580078
InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295,21.2227096557617,99.7050018310547,160.656295776367,8.74462413787842,0.0,-9.80473041534424,46.0629501342773,-2.52284932136536,3.04091358184814,15.9994735717773,14.7364835739136,347.746612548828,0.346630871295929,0.175499141216278,21.5635166168213,0.0,2.14391565322876,-0.0810792669653893,61.0292320251465,0.104547642171383,-0.0208624582737684,-28.1950397491455,1.0,1.50795078277588,-7.25484943389893,1.0,0.824500858783722,0.0,0.380913108587265,286.717376708984,0.0251465402543545,225.68815612793,132.461242675781
InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2,11.3952379226685,50.9114151000977,187.692901611328,12.1033611297607,45.6516189575195,-8.56848526000977,38.2821044921875,-4.28424263000488,3.02115654945374,29.2668991088867,12.5776557922363,203.961395263672,0.5,0.182889580726624,13.978343963623,0.182889580726624,11.4912214279175,-0.13752119243145,45.6516189575195,0.0938867479562759,-0.0687605962157249,-34.327075958252,2.0,0.283450722694397,-17.163537979126,0.817110419273376,0.817110419273376,0.0,0.614414393901825,203.961395263672,0.0484885014593601,158.309768676758,153.365829467773
InChI%3D1S%2FC10H13NO2%2Fc1-3-13-10-6-4-9%285-7-10%2911-8%282%2912%2Fh4-7H%2C3H2%2C1-2H3%2C%28H%2C11%2C12%29,44.3457183837891,133.413955688477,459.907562255859,15.9656391143799,67.5305404663086,-48.373291015625,145.530883789062,-8.06748294830322,6.73136186599731,35.1003303527832,17.4476909637451,354.085021972656,0.319197446107864,0.249470084905624,28.9723091125488,0.160170897841454,9.68125534057617,-0.272127479314804,105.180465698242,0.200870364904404,-0.0453842133283615,-114.733177185059,2.0,2.47512078285217,-19.1346893310547,0.839829087257385,0.750529944896698,1.0,0.818694651126862,316.435089111328,0.0378677658736706,211.254623413086,345.174377441406
InChI%3D1S%2FC17H21N3%2Fc1-19%282%2915-9-5-13%286-10-15%2917%2818%2914-7-11-16%2812-8-14%2920%283%294%2Fh5-12%2C18H%2C1-4H3,143.78271484375,299.963012695312,847.474853515625,23.6953372955322,41.5868339538574,-182.92219543457,381.616760253906,-11.2420568466187,15.7844686508179,40.5716934204102,26.9173469543457,624.555603027344,0.235096111893654,0.324020504951477,47.2226524353027,0.0624293424189091,7.04186248779297,-0.412223011255264,215.843811035156,0.147186368703842,-0.0253344550728798,-274.599243164062,3.0,3.01837110519409,-16.8763561248779,0.937570631504059,0.675979495048523,1.0,0.859989702701569,450.298614501953,0.0355709753930569,234.454803466797,572.875610351562
InChI%3D1S%2FC2H4N2O2%2Fc5-1-3-4-2-6%2Fh1-2H%2C%28H%2C3%2C5%29%28H%2C4%2C6%29,73.8811950683594,166.205337524414,721.659301757812,26.7453556060791,63.4405364990234,-108.813362121582,244.789779663086,-12.1833457946777,13.1048564910889,51.6100234985352,17.7181053161621,426.545715332031,0.212946712970734,0.307727366685867,34.8618965148926,0.129474118351936,4.50315141677856,-0.453225612640381,150.782180786133,0.127654105424881,-0.0507456436753273,-222.074325561523,5.0,4.84875679016113,-24.8646678924561,0.870525896549225,0.692272663116455,3.0,1.01958978176117,339.204071044922,0.0545838922262192,188.421890258789,499.584991455078
InChI%3D1S%2FC14H8O4%2Fc15-9-5-1-3-7-11%289%2914%2818%2912-8%2813%287%2917%294-2-6-10%2812%2916%2Fh1-6%2C15-16H,109.785034179688,130.789855957031,772.229187011719,25.1961898803711,159.161376953125,-172.847946166992,205.918380737305,-22.197696685791,12.3583364486694,70.452880859375,10.6616563796997,331.322967529297,0.22842188179493,0.456344544887543,33.1823425292969,0.324498385190964,8.20955753326416,-0.718478739261627,223.829849243164,0.138346612453461,-0.0922693833708763,-352.402587890625,2.0,3.87766671180725,-45.2566871643066,0.675501644611359,0.543655455112457,2.0,0.855942964553833,266.654479980469,0.0513700172305107,42.8246459960938,419.826629638672
InChI%3D1S%2FCHBr2Cl%2Fc2-1%283%294%2Fh1H,50.132137298584,6.13201093673706,75.5463333129883,2.49348020553589,0.56607574224472,-15.9666481018066,1.95299196243286,-5.28481149673462,0.591455161571503,24.7733993530273,4.09320688247681,236.634582519531,0.406662255525589,0.891013860702515,10.7067928314209,0.00238648476079106,26.8186893463135,-0.283780157566071,211.349075317383,0.706184029579163,-0.0939285755157471,-67.3128356933594,0.0,0.399753630161285,-22.2799205780029,0.997613489627838,0.108986109495163,0.0,0.0347111262381077,25.8515777587891,0.010512113571167,-185.497497558594,8.23350143432617
InChI%3D1S%2FC22H14%2Fc1-3-7-19-15%285-1%299-11-17-14-22-18%2813-21%2817%2919%2912-10-16-6-2-4-8-20%2816%2922%2Fh1-14H,133.286376953125,156.358856201172,469.341583251953,18.0677700042725,0.0,-116.236259460449,136.357269287109,-6.09491920471191,9.72383880615234,29.3926792144775,15.3048982620239,538.18701171875,0.0701382607221603,0.460171163082123,48.055103302002,0.0,0.974943101406097,-0.401305615901947,247.658126831055,0.0722237750887871,-0.0210427045822144,-215.977462768555,0.0,0.934676587581635,-11.3249101638794,1.0,0.539828836917877,0.0,0.47077339887619,290.528869628906,0.0335715487599373,42.8707313537598,253.364120483398
InChI%3D1S%2FC11H10N4%2Fc1-7-3-2-6-15-10%287%2913-8-4-5-9%2812%2914-11%288%2915%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29,87.6981887817383,301.651306152344,972.184753417969,20.6388454437256,79.2533340454102,-136.637405395508,469.985229492188,-16.8947734832764,12.8782014846802,47.7147254943848,34.4417953491211,544.725402832031,0.189779549837112,0.225242853164673,59.7962036132812,0.127012863755226,0.643160045146942,-0.350937694311142,140.546752929688,0.166522175073624,-0.0433923080563545,-218.977661132812,3.0,0.345635235309601,-27.0758800506592,0.872987151145935,0.774757146835327,0.0,1.20710372924805,483.432006835938,0.0330761969089508,342.88525390625,753.207092285156
InChI%3D1S%2FC18H22O5%2Fc1-12-6-5-8-13%2819%297-3-2-4-9-15-16%2818%2822%2923-12%2910-14%2820%2911-17%2815%2921%2Fh4%2C9-12%2C20-21H%2C2-3%2C5-8H2%2C1H3,264.55517578125,449.449615478516,1632.85571289062,30.579610824585,192.329788208008,-511.226684570312,868.516906738281,-43.5768356323242,25.8394069671631,82.1505661010742,27.8825531005859,652.658264160156,0.186586499214172,0.370522975921631,50.359447479248,0.227612435817719,6.48811483383179,-0.715998947620392,313.087463378906,0.152121692895889,-0.0610315762460232,-605.010559082031,3.0,2.18151426315308,-51.5709533691406,0.772387564182281,0.629477024078369,2.0,1.21640205383301,531.900573730469,0.0361894033849239,218.813095092773,1027.84521484375
InChI%3D1S%2FC12H10Cl2N2%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%2Fh1-6H%2C15-16H2,116.665260314941,106.958023071289,536.872009277344,20.5568943023682,37.6991119384766,-132.450561523438,121.429893493652,-14.5851278305054,9.72111320495605,51.3995475769043,10.4520702362061,435.189117431641,0.264956295490265,0.521704435348511,34.3479309082031,0.0797209739685059,4.99430847167969,-0.592293262481689,246.707901000977,0.10936301201582,-0.06522186845541,-280.088531494141,2.0,2.45804333686829,-30.8426532745361,0.920279026031494,0.478295534849167,2.0,0.543010950088501,226.18034362793,0.0434709340333939,-20.5275592803955,256.783477783203
InChI%3D1S%2FC15H15N3O2%2Fc1-10-3-8-15%2820%2914%289-10%2918-17-13-6-4-12%285-7-13%2916-11%282%2919%2Fh3-9%2C17H%2C1-2H3%2C%28H%2C16%2C19%29,152.768737792969,252.218048095703,1000.48529052734,26.5599498748779,110.687683105469,-240.173324584961,396.521209716797,-20.9325313568115,16.9023723602295,59.4527854919434,19.3361053466797,525.698059082031,0.221474170684814,0.377219080924988,41.3058967590332,0.173931747674942,5.35492563247681,-0.593039870262146,240.056838989258,0.139373287558556,-0.0516869463026524,-377.402130126953,5.0,2.93214464187622,-32.8928375244141,0.826068222522736,0.622780919075012,2.0,0.979096651077271,396.328887939453,0.041735615581274,156.272064208984,623.083129882812
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%29,100.13077545166,110.283584594727,423.083068847656,17.8626956939697,63.0716133117676,-92.3539657592773,101.718238830566,-13.2819709777832,8.19378757476807,46.8177795410156,21.7952766418457,395.637847900391,0.311814188957214,0.475874245166779,39.7447242736816,0.137497961521149,10.887020111084,-0.438914716243744,218.288024902344,0.210690677165985,-0.0631229281425476,-201.334335327148,6.0,4.43275213241577,-28.9550838470459,0.862502038478851,0.524125754833221,3.0,0.483418703079224,240.421432495117,0.0389411970973015,22.1334209442139,221.748733520508
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,51.0590896606445,71.5897369384766,206.255401611328,16.3922786712646,21.2941074371338,-30.0709190368652,42.1623115539551,-6.22658777236938,5.74078178405762,34.1717338562012,6.31924200057983,328.918426513672,0.51353257894516,0.416303128004074,17.8407573699951,0.0608033835887909,10.9352178573608,-0.245179027318954,145.794570922852,0.210716232657433,-0.050767607986927,-85.8647689819336,1.0,6.30231332778931,-17.7794532775879,0.939196586608887,0.583696901798248,1.0,0.34376448392868,204.41796875,0.0468066595494747,58.6233940124512,120.390640258789
InChI%3D1S%2FC8H6N4O4%2Fc9-8-10-6%2811-16-8%293-1-5-2-4-7%2815-5%2912%2813%2914%2Fh1-4H%2C%28H2%2C9%2C10%2C11%29,123.825912475586,105.391235351562,740.217712402344,27.5738887786865,109.601119995117,-191.446502685547,162.944763183594,-17.6892719268799,13.2014484405518,64.5215072631836,13.8336563110352,369.165161132812,0.185972943902016,0.540212213993073,27.0223445892334,0.228924065828323,1.58359313011169,-0.835218966007233,258.635406494141,0.152077406644821,-0.0771725550293922,-399.874664306641,2.0,1.28652727603912,-36.9476165771484,0.771075963973999,0.459787756204605,3.0,0.710875153541565,220.130874633789,0.0575936324894428,-38.5045280456543,340.343048095703
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InChI%3D1S%2FC6H6ClN%2Fc7-4-6-2-1-3-8-5-6%2Fh1-3%2C5H%2C4H2,49.7362442016602,85.5568466186523,198.017608642578,14.8026857376099,27.1256885528564,-26.7755851745605,46.0596618652344,-7.62044906616211,5.4447546005249,35.5204429626465,8.29924201965332,340.696411132812,0.489779651165009,0.367618501186371,17.8407573699951,0.0737467631697655,13.2856111526489,-0.197908014059067,135.218200683594,0.155686259269714,-0.0563254877924919,-72.7949371337891,1.0,3.58530688285828,-20.7177581787109,0.926253259181976,0.632381498813629,0.0,0.340443581342697,232.603881835938,0.0402441471815109,97.3856735229492,125.222671508789
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InChI%3D1S%2FC7H9N%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5H%2C8H2%2C1H3,33.2140731811523,81.4841384887695,201.871047973633,14.4298057556152,19.7331295013428,-19.7978420257568,48.5700798034668,-3.2784469127655,4.88696050643921,24.11012840271,9.17886257171631,318.938110351562,0.507396936416626,0.289577931165695,19.4211368560791,0.0582663230597973,10.0125293731689,-0.172608107328415,98.0717163085938,0.208197668194771,-0.0285832416266203,-58.4574012756348,1.0,4.95579671859741,-9.68032264709473,0.941733658313751,0.710422039031982,1.0,0.423459768295288,240.599533081055,0.0426071174442768,142.527801513672,143.413650512695
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InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,70.8231887817383,72.5339279174805,134.214263916016,11.0786876678467,0.0,-25.1052474975586,25.7116680145264,-9.7576732635498,4.19467163085938,36.8500061035156,5.21282815933228,378.625305175781,0.476484477519989,0.49403327703476,12.3071718215942,0.0,36.1017227172852,-0.175123825669289,187.053497314453,0.231378927826881,-0.0680654942989349,-66.3063125610352,0.0,11.6038112640381,-25.7713184356689,1.0,0.50596672296524,0.0,0.179353967308998,191.571792602539,0.0292602945119143,4.51829767227173,67.9079513549805
InChI%3D1S%2FC32H24N6O16S4%2Fc33-19-11-17%2855%2843%2C44%2945%295-15-9-25%2857%2849%2C50%2951%2929%2831%2841%2927%2815%2919%2937-35-21-3-1-13%287-23%2821%2939%2914-2-4-22%2824%2840%298-14%2936-38-30-26%2858%2852%2C53%2954%2910-16-6-18%2856%2846%2C47%2948%2912-20%2834%2928%2816%2932%2830%2942%2Fh1-12%2C35-36%2C39-40H%2C33-34H2%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29,707.416076660156,442.699401855469,6178.29248046875,54.9973678588867,351.952423095703,-4075.4228515625,2550.39038085938,-144.328018188477,58.981071472168,189.577178955078,54.0569686889648,720.48193359375,0.0622641332447529,0.615082621574402,103.355033874512,0.328180849552155,1.48595154285431,-3.54348993301392,659.635803222656,0.0515727698802948,-0.12549002468586,-3800.16040039062,20.0,0.0311079621315002,-134.579818725586,0.671819150447845,0.384917348623276,10.0,2.21750807762146,412.798583984375,0.051282737404108,-246.837173461914,2378.13208007812
InChI%3D1S%2FC17H22N2%2Fc1-18%282%2916-9-5-14%286-10-16%2913-15-7-11-17%2812-8-15%2919%283%294%2Fh5-12H%2C13H2%2C1-4H3,136.522933959961,284.736846923828,705.34814453125,19.878044128418,9.51313495635986,-148.365905761719,309.436981201172,-5.35338258743286,12.9017505645752,28.1261310577393,28.0105533599854,639.532165527344,0.258293598890305,0.324082493782043,46.7894477844238,0.0146571211516857,1.31607580184937,-0.352195739746094,210.344223022461,0.0585708767175674,-0.0127080306410789,-228.59098815918,2.0,0.78260749578476,-8.24808788299561,0.985342860221863,0.675917506217957,0.0,0.734551429748535,438.701049804688,0.0306265894323587,228.356842041016,476.757141113281
InChI%3D1S%2FC18H27NO3%2Fc1-14%282%298-6-4-5-7-9-18%2821%2919-13-15-10-11-16%2820%2917%2812-15%2922-3%2Fh6%2C8%2C10-12%2C14%2C20H%2C4-5%2C7%2C9%2C13H2%2C1-3H3%2C%28H%2C19%2C21%29,118.866882324219,414.350524902344,1383.5595703125,32.3659172058105,134.280944824219,-225.219802856445,785.079406738281,-24.003116607666,23.6341552734375,65.2371139526367,32.7525901794434,595.936462402344,0.188812732696533,0.22292385995388,53.1894111633301,0.183891728520393,5.87724924087524,-0.422378927469254,162.78288269043,0.11564339697361,-0.0450156293809414,-308.428436279297,2.0,3.1696949005127,-32.8711929321289,0.816108286380768,0.777076125144958,2.0,1.47234392166138,567.434509277344,0.0443236753344536,404.651611328125,1075.13110351562
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InChI%3D1S%2FC2H3Cl3%2Fc3-1-2%284%295%2Fh2H%2C1H2,80.1150512695312,53.7230682373047,166.887969970703,12.7210140228271,0.0,-36.5467910766602,24.5073280334473,-12.1530628204346,4.65384197235107,45.9407234191895,4.53962087631226,365.838928222656,0.371445685625076,0.598596632480621,12.0603790283203,0.0,25.9774417877197,-0.273067116737366,218.989944458008,0.390548408031464,-0.0908041968941689,-99.8985824584961,0.0,9.997727394104,-33.2197113037109,1.0,0.401403367519379,0.0,0.18311171233654,146.848968505859,0.0347721725702286,-72.140983581543,66.9893951416016
InChI%3D1S%2FC12H11N%2Fc13-12-8-6-11%287-9-12%2910-4-2-1-3-5-10%2Fh1-9H%2C13H2,66.1116027832031,132.826293945312,367.808258056641,22.2112216949463,37.0217056274414,-54.5180625915527,109.533447265625,-7.64067125320435,9.90675067901611,39.3418273925781,11.3652772903442,409.002838134766,0.366758733987808,0.332322835922241,29.554723739624,0.0830037444829941,13.5780344009399,-0.274045646190643,148.224136352539,0.150490432977676,-0.0384073182940483,-122.231079101562,1.0,4.54096937179565,-17.1306076049805,0.916996240615845,0.667677164077759,1.0,0.550591170787811,297.800415039062,0.0497982054948807,149.576263427734,245.577178955078
InChI%3D1S%2FC8H20N2%2Fc1-3-5-7-9-10-8-6-4-2%2Fh9-10H%2C3-8H2%2C1-2H3,199.884704589844,278.2607421875,576.420593261719,14.4659967422485,9.86656475067139,-166.624557495117,231.959075927734,-12.1252384185791,10.0029563903809,32.0011787414551,21.8641395568848,681.614074707031,0.308597147464752,0.41804164648056,29.6158599853516,0.0142687503248453,0.0,-0.34848091006279,289.067687988281,0.168968960642815,-0.0253588929772377,-240.967803955078,2.0,2.23528790473938,-17.5351829528809,0.985731244087219,0.58195835351944,2.0,0.485122442245483,402.412933349609,0.0209203213453293,113.345230102539,335.452758789062
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InChI%3D1S%2FC6H4O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,51.0818824768066,60.8962097167969,208.313827514648,20.0784168243408,97.1129302978516,-31.7993640899658,37.9089546203613,-9.60944843292236,6.7188663482666,48.7949447631836,6.28882789611816,237.518341064453,0.465003460645676,0.456177473068237,14.8311719894409,0.290208756923676,22.5789241790771,-0.283978462219238,152.651245117188,0.286902904510498,-0.0858154371380806,-95.0280685424805,2.0,10.2046852111816,-28.7165279388428,0.709791243076324,0.543822526931763,0.0,0.338539034128189,181.980026245117,0.060001615434885,29.3287792205811,113.285751342773
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