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

SMILES,Weta2.unity,Weta1.unity,BCUTc-1h,Weta3.unity,BCUTp-1l,WV.unity,WT.unity,Wnu1.unity,BCUTw-1h,Wnu2.unity,BCUTc-1l,WA.unity,Wlambda3.unity,Wlambda1.unity,WD.unity,WK.unity,Wlambda2.unity,BCUTw-1l,BCUTp-1h
InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,0.385848432779312,0.497195899486542,0.114273779094219,0.572235703468323,5.42349481582642,7.27513980865479,4.11467885971069,5.99460736339097e-06,34.9693794250488,0.248330801725388,-0.180390506982803,3.16038298606873,3.09285259246826,2.46658837568248e-05,1.4552800655365,0.313747406005859,1.02180147171021,11.9985990524292,7.92974948883057
InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2,0.308224409818649,0.346866458654404,0.102133847773075,0.588407874107361,6.09799766540527,8.62317657470703,3.52318787574768,0.199644237756729,78.91943359375,0.287291556596756,-0.191176891326904,3.81304740905762,1.80762159824371,0.703384160995483,1.24349868297577,0.134798154234886,1.01218211650848,11.9988794326782,10.7745018005371
InChI%3D1S%2FC11H11N5%2Fc1-6-5-13-7-3-4-8-10%289%287%2914-6%2915-11%2812%2916%288%292%2Fh3-5H%2C1-2H3%2C%28H2%2C12%2C15%29,0.503408551216125,0.138558551669121,0.164086848497391,0.488824218511581,5.75795888900757,98.8208618164062,12.9665384292603,0.127074435353279,14.0147838592529,0.23762945830822,-0.302408397197723,44.0321273803711,8.23759174346924,1.64771568775177,1.13079130649567,0.226472079753876,3.08123159408569,11.9884147644043,10.1326465606689
InChI%3D1S%2FC11H14O2%2Fc1-4-5-9-6-7-10%2812-2%2911%288-9%2913-3%2Fh4%2C6-8H%2C1%2C5H2%2C2-3H3,0.394278764724731,0.347760766744614,0.106572493910789,0.476901978254318,4.86938667297363,55.6435470581055,11.3144569396973,0.0475654937326908,15.9982604980469,0.299823224544525,-0.374986231327057,30.8483734130859,7.38394212722778,0.538177728652954,1.21894145011902,0.239458456635475,3.39233708381653,11.9962329864502,8.94060325622559
InChI%3D1S%2FC3H6ClNO%2Fc1-5%282%293%284%296%2Fh1-2H3,0.479386389255524,0.313338458538055,0.355639487504959,0.537014484405518,4.38074636459351,8.53880882263184,3.75933456420898,0.0720244795084,34.9693794250488,0.422144323587418,-0.253766924142838,3.96236610412598,1.90158867835999,0.270764112472534,1.3297393321991,0.129373386502266,1.58698177337646,11.9986352920532,7.16250705718994
InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-2-1-3-8-4-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29,0.602334439754486,0.478291451931,0.186541929841042,0.569417715072632,4.72432136535645,22.793399810791,6.8018741607666,0.0995842590928078,15.9949178695679,0.226425871253014,-0.343439698219299,11.2090167999268,4.5843939781189,0.677359580993652,1.65004360675812,0.255492389202118,1.54012024402618,11.9885530471802,8.41463088989258
InChI%3D1S%2FC13H14N2%2Fc14-12-5-1-10%282-6-12%299-11-3-7-13%2815%298-4-11%2Fh1-8H%2C9%2C14-15H2,0.503461003303528,0.396458148956299,0.0998508855700493,0.536206662654877,5.58554124832153,67.1517562866211,12.8361959457397,0.0958103984594345,14.0040874481201,0.143217459321022,-0.303443014621735,32.2311210632324,9.76798725128174,1.22984099388123,1.43612575531006,0.320729106664658,1.83836734294891,11.8500003814697,9.25030708312988
InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H,,,0.203258097171783,,3.51624727249146,,,,16.0007247924805,,-0.39732152223587,,,,,,,11.9939661026001,6.5589337348938
InChI%3D1S%2FC14H13N3O3%2Fc1-20-13-8-10%282-3-12%2813%2918%299-16-17-14%2819%2911-4-6-15-7-5-11%2Fh2-9%2C16H%2C1H3%2C%28H%2C17%2C19%29,0.268043339252472,0.449073821306229,0.244852110743523,0.545392990112305,4.82495021820068,122.600067138672,18.7379722595215,0.0436188019812107,15.9969301223755,0.180114507675171,-0.34479957818985,63.7383766174316,14.5456638336182,0.817327916622162,1.26251018047333,0.332200020551682,3.37498068809509,11.8500003814697,9.70279121398926
InChI%3D1S%2FC13H18Cl2N2O2%2Fc14-5-7-17%288-6-15%2911-3-1-10%282-4-11%299-12%2816%2913%2818%2919%2Fh1-4%2C12H%2C5-9%2C16H2%2C%28H%2C18%2C19%29,0.521860837936401,0.490024566650391,0.295597225427628,0.656055986881256,4.10146331787109,87.0447235107422,14.4468564987183,0.0734265595674515,34.9698524475098,0.182467386126518,-0.349701702594757,42.5375633239746,10.7499933242798,1.06078290939331,1.6679413318634,0.308079540729523,2.63608026504517,11.9962062835693,10.3184604644775
InChI%3D1S%2FC24H38O4%2Fc1-5-9-13-19%287-3%2917-27-23%2825%2921-15-11-12-16-22%2821%2924%2826%2928-18-20%288-4%2914-10-6-2%2Fh11-12%2C15-16%2C19-20H%2C5-10%2C13-14%2C17-18H2%2C1-4H3,0.35042017698288,0.417022168636322,0.295188248157501,0.49677374958992,5.07698106765747,366.243896484375,25.1932964324951,0.0771273225545883,15.9979391098022,0.227915599942207,-0.312484472990036,145.708755493164,17.5082607269287,1.94309163093567,1.2642160654068,0.271217823028564,5.74194526672363,11.8900003433228,9.83025169372559
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,0.727560758590698,0.361663669347763,0.0796170309185982,0.583142518997192,5.1578631401062,6.28042697906494,3.06788349151611,0.0935362353920937,15.9974174499512,0.375253230333328,-0.376168370246887,2.67416524887085,1.62969207763672,0.286958277225494,1.67236697673798,0.148407906293869,1.15123319625854,11.9969358444214,5.96626329421997
InChI%3D1S%2FC20H12%2Fc1-2-7-17-15%284-1%2912-16-9-8-13-5-3-6-14-10-11-18%2817%2920%2816%2919%2813%2914%2Fh1-12H,0.511210978031158,0.43348902463913,0.148047715425491,0.514210760593414,7.21006488800049,51.1544876098633,13.6580944061279,2.47956446486342e-08,12.1502704620361,0.278654187917709,-0.152164399623871,37.4963798522949,9.85220813751221,3.38661266141571e-07,1.45891082286835,0.291009336709976,3.80588531494141,11.8500003814697,11.6682014465332
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,0.588813722133636,0.396527409553528,0.145878687500954,0.570150315761566,5.71635961532593,7.27906847000122,3.77704095840454,6.14148509825441e-10,14.0030765533447,0.43276908993721,-0.264029264450073,3.5020272731781,2.14245438575745,2.3196640164258e-09,1.55549144744873,0.175423175096512,1.63458657264709,11.8500003814697,6.16526651382446
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-7%282%298%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,0.458141148090363,0.213093265891075,0.139932289719582,0.564655601978302,5.87873315811157,20.9727973937988,7.32193899154663,0.0224283691495657,14.0030784606934,0.291220605373383,-0.302245378494263,11.8911361694336,5.02542018890381,0.16421914100647,1.2358900308609,0.26476326584816,2.13229942321777,11.8500003814697,8.31507873535156
InChI%3D1S%2FC18H22ClNO%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%2Fh2-11%2C16H%2C12-15H2%2C1H3,0.43146476149559,0.289922744035721,0.0910941958427429,0.471260488033295,5.62158155441284,151.584381103516,15.604941368103,0.156455412507057,34.9688529968262,0.18942853808403,-0.343921095132828,62.3117179870605,10.2074422836304,2.44147753715515,1.19264805316925,0.240587025880814,2.95602130889893,11.8500003814697,10.4890012741089
InChI%3D1S%2FC24H29ClO4%2Fc1-12%2826%2924%2829-13%282%2927%298-6-16-14-10-20%2825%2919-11-21%2828%2915-9-18%2815%2923%2819%2C4%2917%2814%295-7-22%2816%2C24%293%2Fh10-11%2C14-18H%2C5-9H2%2C1-4H3,0.522440016269684,0.539819717407227,0.259187608957291,0.545228660106659,4.42728090286255,137.608276367188,15.7271690368652,0.140455275774002,34.9688529968262,0.167533963918686,-0.377861171960831,58.5371131896973,10.8833703994751,2.2089638710022,1.60748839378357,0.269008070230484,2.63483500480652,11.9883785247803,13.5527124404907
InChI%3D1S%2FC7H16O2%2Fc1-6%288%295-9-7%282%2C3%294%2Fh6%2C8H%2C5H2%2C1-4H3,0.242843434214592,0.454326331615448,0.132441684603691,0.42856764793396,4.46358871459961,50.1076965332031,9.0689868927002,0.12202063202858,15.9959182739258,0.35709822177887,-0.390487909317017,24.1095275878906,4.72386407852173,1.10660350322723,1.12573742866516,0.140660852193832,3.23851919174194,11.8900003433228,8.01995182037354
InChI%3D1S%2FC2H3ClO%2Fc3-1-2-4%2Fh2H%2C1H2,0.610866189002991,0.288285613059998,0.143939793109894,0.637585461139679,3.33474826812744,3.88414239883423,2.26427626609802,0.100824311375618,34.9693794250488,0.312803119421005,-0.300961822271347,1.40518295764923,1.32770943641663,0.228294089436531,1.53673720359802,0.189779415726662,0.708272695541382,11.998706817627,5.98385858535767
InChI%3D1S%2FC2HCl5%2Fc3-1%284%292%285%2C6%297%2Fh1H,0.499998867511749,0.352496117353439,0.334519654512405,0.790293872356415,7.06024980545044,7.96214389801025,3.2902295589447,0.240021347999573,34.9729766845703,0.30801385641098,-0.139938309788704,3.48176002502441,1.48706793785095,0.789725363254547,1.64278888702393,0.0889736041426659,1.01343631744385,11.998706817627,11.6964206695557
InChI%3D1S%2FC16H19ClN4O2S%2Fc1-10-4-3-5-12%2811%2810%292%2919-14-8-13%2817%2920-16%2821-14%2924-9-15%2823%2918-6-7-22%2Fh3-5%2C8%2C22H%2C6-7%2C9H2%2C1-2H3%2C%28H%2C18%2C23%29%28H%2C19%2C20%2C21%29,0.436885088682175,0.21207220852375,0.145626917481422,0.27832293510437,3.98049855232239,250.203857421875,19.5982685089111,0.0778316557407379,34.9688529968262,0.403852313756943,-0.393923997879028,107.967147827148,10.1580963134766,1.52536571025848,0.927280247211456,0.13873702287674,7.91480588912964,11.8900003433228,11.7244691848755
InChI%3D1S%2FC2H6N2O%2Fc1-2%285%294-3%2Fh3H2%2C1H3%2C%28H%2C4%2C5%29,0.387522280216217,0.365899562835693,0.150434866547585,0.554071068763733,4.16948843002319,8.45865726470947,3.82978963851929,0.0678487047553062,15.9949159622192,0.335970044136047,-0.347354054450989,3.86548018455505,2.28324866294861,0.259846270084381,1.30749297142029,0.19713594019413,1.28669452667236,11.9989995956421,5.71250486373901
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-8%289%297%282%295-6%2Fh3-5H%2C9H2%2C1-2H3,0.518230020999908,0.217914864420891,0.106735751032829,0.582639813423157,5.80014562606812,21.254674911499,7.22937774658203,0.0227696001529694,14.0030784606934,0.323007702827454,-0.302252292633057,12.2072849273682,4.72962284088135,0.164610043168068,1.31878471374512,0.240667030215263,2.33514451980591,11.8500003814697,8.3963794708252
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,,,0.262490808963776,,4.8863673210144,,,,34.969856262207,,-0.312112808227539,,,,,,,11.8999996185303,12.7248973846436
InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3,0.379592329263687,0.377031475305557,0.206126391887665,0.540516436100006,5.32294368743896,33.3439178466797,10.3137950897217,0.0476536974310875,15.9959192276001,0.141492024064064,-0.316523253917694,17.0318393707275,8.36298561096191,0.491490513086319,1.29714024066925,0.358140707015991,1.4593198299408,11.8500003814697,8.72925853729248
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%2C17H2,0.487222760915756,0.301232784986496,0.197130918502808,0.538420557975769,6.01527261734009,41.4489250183105,11.7686548233032,0.00410174671560526,78.91943359375,0.280182629823685,-0.300641745328903,28.3395709991455,8.42300987243652,0.048272043466568,1.32687604427338,0.286786705255508,3.29737281799316,11.9988346099854,12.0512847900391
InChI%3D1S%2FC7H10N2O%2Fc1-10-7-3-2-5%288%294-6%287%299%2Fh2-4H%2C8-9H2%2C1H3,0.436431288719177,0.131372511386871,0.0930308029055595,0.49358081817627,4.83090114593506,22.7208671569824,7.83308887481689,0.0121316965669394,15.9949178695679,0.311365067958832,-0.347122937440872,13.6596021652222,5.2991099357605,0.0950286537408829,1.06138467788696,0.257377445697784,2.4389500617981,11.9935121536255,8.16068172454834
InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3,0.544127345085144,0.254110813140869,0.16107976436615,0.575705766677856,3.64778113365173,16.7045936584473,5.98703384399414,0.0290474649518728,15.9959192276001,0.414715200662613,-0.137175694108009,9.27957820892334,3.3302116394043,0.173908144235611,1.37394392490387,0.167177990078926,2.48291397094727,11.8900003433228,8.05840015411377
InChI%3D1S%2FC3H9O4P%2Fc1-5-8%284%2C6-2%297-3%2Fh1-3H3,0.495763212442398,0.321278393268585,0.453101277351379,0.522035360336304,2.68936967849731,24.4988040924072,6.61700296401978,0.0912277549505234,30.973762512207,0.395272612571716,-0.319630563259125,12.5170726776123,3.3978283405304,0.603654325008392,1.33907699584961,0.135124713182449,2.61552000045776,11.9965486526489,4.91875648498535
InChI%3D1S%2FC6H13NO3S%2Fc8-11%289%2C10%297-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2%2C%28H%2C8%2C9%2C10%29,0.537876188755035,0.414665877819061,0.333608150482178,0.476641148328781,6.17334365844727,23.9259624481201,6.75948572158813,0.112870760262012,31.9720706939697,0.242487743496895,-0.273441910743713,11.7173042297363,4.35744524002075,0.762948334217072,1.42918312549591,0.233481124043465,1.63909244537354,11.8999996185303,9.64963531494141
InChI%3D1S%2FC8H12%2Fc1-2-8-6-4-3-5-7-8%2Fh2-4%2C8H%2C1%2C5-7H2,0.554363489151001,0.490246444940567,0.0464405082166195,0.480837345123291,5.53627729415894,19.2054424285889,5.38458108901978,0.190258175134659,12.1001262664795,0.337364226579666,-0.162179484963417,9.08730602264404,2.54355549812317,1.02446055412292,1.52544724941254,0.104283198714256,1.81656515598297,11.8999996185303,8.69313049316406
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%2918,0.401108771562576,0.353641510009766,0.228884190320969,0.410150408744812,9.8203125,33.4523048400879,6.87090015411377,0.257881075143814,34.9799118041992,0.311087131500244,-0.189675450325012,15.3650522232056,2.96157622337341,1.77187514305115,1.16490066051483,0.0732738450169563,2.13744854927063,11.9985313415527,17.4356994628906
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%2C1H3,0.448605477809906,0.444705098867416,,0.565784752368927,,97.6027984619141,18.1666221618652,0.0260711126029491,,0.185255244374275,,56.5986061096191,14.3275356292725,0.473624020814896,1.45909535884857,0.341505229473114,3.36546206474304,,
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,0.437931329011917,0.360117971897125,0.137440055608749,0.551906943321228,4.69335746765137,26.5737457275391,8.48638343811035,0.0569176711142063,15.9959192276001,0.172881662845612,-0.360501110553741,13.4553709030151,6.53621816635132,0.483025163412094,1.34995627403259,0.327650487422943,1.46714007854462,11.8500003814697,8.32169437408447
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,0.504258871078491,0.483100146055222,0.27791365981102,0.562727987766266,3.42927932739258,37.3348579406738,11.5702257156372,5.66795415579691e-06,15.9969272613525,0.260089844465256,-0.332781732082367,25.7629432678223,8.56086158752441,6.55795083730482e-05,1.55008697509766,0.304928362369537,3.00929832458496,11.9884147644043,9.62836265563965
InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-1-2-8%286-10%294-3-7%2Fh1-4H2,0.552303791046143,0.2559934258461,0.173813924193382,0.371897369623184,3.20574235916138,15.3620986938477,5.19557237625122,0.0964678749442101,16.0168724060059,0.345586568117142,-0.275181621313095,7.55778121948242,2.89884662628174,0.501205801963806,1.18019461631775,0.168459162116051,1.79552006721497,11.9989995956421,7.13404893875122
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%2C3-4H2,0.55962461233139,0.49405437707901,0.269728600978851,0.506786406040192,6.02031230926514,48.4236602783203,11.1534204483032,0.07448960095644,34.9720077514648,0.165848523378372,-0.279619425535202,24.2490177154541,8.47282791137695,0.830813825130463,1.56046545505524,0.319746404886246,1.849778175354,11.9985313415527,14.4949722290039
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,0.292324870824814,0.336219489574432,0.114917285740376,0.579317688941956,5.65861177444458,8.27052211761475,3.44336032867432,0.208780407905579,34.9710578918457,0.270075559616089,-0.213589757680893,3.62744116783142,1.79448676109314,0.718906223773956,1.20786201953888,0.140858024358749,0.92996746301651,11.9986352920532,9.03900241851807
InChI%3D1S%2FCH6N2%2Fc1-3-2%2Fh3H%2C2H2%2C1H3,0.40783479809761,0.248888462781906,-0.00142072385642678,0.606154680252075,3.95105862617493,4.23266839981079,2.54260873794556,0.0769803076982498,14.1130752563477,0.229594334959984,-0.3771812915802,1.48860418796539,1.7631094455719,0.195730805397034,1.26287794113159,0.270069032907486,0.583768546581268,11.9999990463257,4.61719274520874
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,0.430033683776855,0.23921149969101,0.171827271580696,0.489688515663147,6.18343162536621,14.3947553634644,5.86912631988525,8.14897749279453e-09,34.9729766845703,0.450024336576462,-0.356198877096176,8.5256290435791,3.22787666320801,4.78273811665986e-08,1.15893375873566,0.162481740117073,2.64124965667725,11.9985628128052,11.1922044754028
InChI%3D1S%2FC7H14N2O%2Fc1-7%282%294-5-8-9%283%296-10%2Fh5-7H%2C4H2%2C1-3H3,0.482359617948532,0.369198203086853,0.286287605762482,0.575033366680145,3.60474610328674,32.2117729187012,8.49520397186279,0.11984708160162,16.0059261322021,0.151810303330421,-0.360255837440491,15.5922679901123,6.18741941452026,1.01812541484833,1.4265912771225,0.296256959438324,1.28965950012207,11.9886617660522,7.59640550613403
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%2C1-2H3,0.350246548652649,0.398695170879364,0.396390616893768,0.504906237125397,3.66730070114136,107.780372619629,13.1653938293457,0.148695737123489,19.0004138946533,0.227119743824005,-0.290773004293442,46.5124473571777,8.21763515472412,1.95763790607452,1.25384795665741,0.21813839673996,2.99012088775635,11.9989995956421,10.7771339416504
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,0.399982690811157,0.385363727807999,0.286561369895935,0.400001734495163,5.93843698501587,3.74932885169983,2.06961226463318,0.217433214187622,34.9710578918457,0.39127242565155,-0.14991594851017,1.38461232185364,0.809827566146851,0.450002431869507,1.18534815311432,0.0434707663953304,0.809782207012177,11.9994735717773,8.48476219177246
InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3,0.538143992424011,0.438073962926865,0.104249462485313,0.577628672122955,6.17049980163574,52.2641181945801,11.0603075027466,0.0815628245472908,34.9693794250488,0.188690677285194,-0.263689130544662,26.0082626342773,8.07122135162354,0.902109920978546,1.55384659767151,0.297309875488281,2.08697700500488,11.9985437393188,13.0387535095215
InChI%3D1S%2FCH4N2O%2Fc2-3-1-4%2Fh1H%2C2H2%2C%28H%2C3%2C4%29,0.266473799943924,0.250000774860382,0.16349732875824,0.633586764335632,3.51569890975952,4.78683996200562,3.2801947593689,0.0503059886395931,15.9979419708252,0.0923622474074364,-0.373170763254166,1.36605286598206,2.81221508979797,0.165013432502747,1.15006136894226,0.392998814582825,0.302966177463531,11.9969720840454,4.55926418304443
InChI%3D1S%2FC9H10O2%2Fc1-8%2810%2911-7-9-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3,0.372248649597168,0.188071891665459,0.258673906326294,0.574710130691528,3.8018946647644,28.2439765930176,9.31776523590088,0.0519298985600471,15.9959192276001,0.14089760184288,-0.311099797487259,14.1484699249268,7.52104377746582,0.483870595693588,1.13503074645996,0.355379372835159,1.31285071372986,11.8500003814697,8.24794387817383
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,0.391425669193268,0.299991250038147,0.283323168754578,0.583379983901978,4.67467164993286,99.5336074829102,16.7428436279297,0.0507480278611183,15.9959230422974,0.171902775764465,-0.325512439012527,50.9630126953125,13.0150365829468,0.84966629743576,1.27479696273804,0.333011895418167,2.87814140319824,11.9934053421021,8.82687091827393
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%29,0.557713389396667,0.586774408817291,0.279163718223572,0.592565298080444,3.73891568183899,30.8934116363525,8.88774013519287,0.0974810943007469,15.9987049102783,0.132651284337044,-0.351490080356598,15.0165605545044,6.84238338470459,0.866386651992798,1.73705303668976,0.327400714159012,1.17897021770477,11.9963550567627,7.38347673416138
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,0.24041074514389,0.244758486747742,0.129849001765251,0.490211337804794,8.95215797424316,64.2879104614258,11.4604120254517,0.138400182127953,78.9263610839844,0.154811277985573,-0.151459991931915,30.0330238342285,8.10008811950684,1.58612310886383,0.975380599498749,0.280091404914856,1.77420115470886,11.9988374710083,16.5983848571777
InChI%3D1S%2FC4H8Cl2O2%2Fc5-3-7-1-2-8-4-6%2Fh1-4H2,0.412446588277817,0.412466257810593,0.184379518032074,0.585542380809784,4.7848072052002,16.1751747131348,7.11542654037476,0.0709596127271652,34.9701538085938,0.0894480720162392,-0.357721537351608,7.13995885848999,5.97405767440796,0.50490790605545,1.41045522689819,0.379694253206253,0.636461198329926,11.9985990524292,6.25295686721802
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%2C1H3,0.539183378219604,0.395892739295959,0.178883716464043,0.556398510932922,3.88158941268921,72.8543243408203,12.9064674377441,0.0588126145303249,16.0170001983643,0.250731468200684,-0.39540895819664,38.0582733154297,8.91134643554688,0.759063065052032,1.49147462844849,0.267841935157776,3.23605751991272,11.9989995956421,9.82785797119141
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-3-1-2-4-6%285%298%289%2910%2Fh1-4H,0.426045745611191,0.144617557525635,0.183547109365463,0.534319579601288,3.73509383201599,13.7427825927734,5.4025092124939,0.0301541872322559,34.9693794250488,0.364190071821213,-0.196897238492966,7.29148483276367,3.27206063270569,0.162908270955086,1.10498285293579,0.204241812229156,1.96754002571106,11.9985628128052,8.75554656982422
InChI%3D1S%2FC6H8N2%2Fc7-8-6-4-2-1-3-5-6%2Fh1-5%2C8H%2C7H2,0.477339804172516,0.265768051147461,0.0986933708190918,0.535793960094452,4.91909027099609,14.3725185394287,5.94281148910522,0.0168544817715883,14.0040798187256,0.292199671268463,-0.266581177711487,7.71551513671875,4.10616111755371,0.100163005292416,1.27890181541443,0.268209367990494,1.73648762702942,11.8500003814697,7.87838125228882
InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3,0.473570138216019,0.306840896606445,0.173747673630714,0.606190323829651,3.38467359542847,48.2829780578613,9.2405309677124,0.13423028588295,16.0168170928955,0.245348736643791,-0.275211304426193,22.9207172393799,5.73301935195923,1.24035918712616,1.38660132884979,0.215315729379654,2.2671525478363,11.9989995956421,7.83963680267334
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%29,0.482215285301208,0.333371788263321,0.151179894804955,0.578677654266357,4.33920240402222,41.8696174621582,13.8744449615479,0.019076582044363,15.9959211349487,0.11582075804472,-0.391113102436066,22.8901062011719,12.0028190612793,0.264676988124847,1.39426469802856,0.398826986551285,1.60694873332977,11.8500003814697,8.52972888946533
InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296,0.666666686534882,0.682030975818634,0.357081592082977,0.802808225154877,2.65272426605225,3.52497816085815,2.32019710540771,1.03587605160271e-09,19.0020332336426,0.338133037090302,-0.190124750137329,1.20478093624115,1.53566193580627,2.40343656088271e-09,2.15150594711304,0.246400237083435,0.78453528881073,11.9978256225586,3.66421484947205
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3,0.420354038476944,0.117646485567093,0.120789863169193,0.5249342918396,4.66280746459961,16.523494720459,6.90631151199341,0.0136691089719534,15.9959182739258,0.226156309247017,-0.360495567321777,8.8430757522583,5.25000238418579,0.0944031327962875,1.06293475627899,0.320130944252014,1.56190598011017,11.8500003814697,7.40144920349121
InChI%3D1S%2FC9H4Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-4H,0.472138315439224,0.335685700178146,0.356705754995346,0.483676314353943,5.88453102111816,34.3731079101562,9.79063510894775,0.0430973172187805,34.9710578918457,0.19994343817234,-0.274255514144897,18.4609107971191,7.41111135482788,0.421950101852417,1.29150032997131,0.317719429731369,1.95757305622101,11.9985370635986,13.2208757400513
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%2C1H3,0.408419340848923,0.526768743991852,0.360632508993149,0.388482004404068,4.92150735855103,2024.18835449219,101.529975891113,0.0248959623277187,16.0066509246826,0.0496972016990185,-0.392007738351822,724.328430175781,93.9565353393555,2.52768659591675,1.32367014884949,0.444055140018463,5.04575538635254,11.9884386062622,10.6020040512085
InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29,0.42555296421051,0.378064930438995,0.294877767562866,0.562925755977631,3.96614265441895,9.81912231445312,4.08517837524414,0.131117656826973,15.9982585906982,0.236482247710228,-0.345390141010284,4.39708757400513,2.58346724510193,0.535639047622681,1.36654365062714,0.224300056695938,0.966072201728821,11.9965486526489,5.3898344039917
InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2,0.359905958175659,0.644644141197205,0.312460422515869,0.47959977388382,3.51580190658569,4.13669729232788,2.71386790275574,1.69992700471688e-10,14.0499544143677,0.261642813682556,-0.426043748855591,1.42282915115356,2.00380396842957,4.61337745782942e-10,1.48414981365204,0.303767889738083,0.710064113140106,11.9530916213989,5.33800506591797
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,0.707129895687103,0.484001576900482,0.23259262740612,0.687969028949738,6.56798601150513,6.78815317153931,3.01246571540833,0.239405080676079,34.9720077514648,0.287053763866425,-0.173516392707825,2.8860342502594,1.42652654647827,0.721199631690979,1.87910056114197,0.105155862867832,0.864739656448364,11.998706817627,9.74158191680908
InChI%3D1S%2FC2H8N2%2Fc1-3-4-2%2Fh3-4H%2C1-2H3,0.566699981689453,0.394258171319962,0.039202619343996,0.540389835834503,4.54363441467285,6.87096118927002,3.32795691490173,0.152767032384872,14.0092763900757,0.193015590310097,-0.30096098780632,2.83199167251587,2.17720723152161,0.508402109146118,1.50134801864624,0.240663021802902,0.642347574234009,11.9938325881958,5.2450270652771
InChI%3D1S%2FC20H14O4%2Fc21-15-9-5-13%286-10-15%2920%2814-7-11-16%2822%2912-8-14%2918-4-2-1-3-17%2818%2919%2823%2924-20%2Fh1-12%2C21-22H,0.416411280632019,0.421114474534988,0.295191198587418,0.38110089302063,4.90078210830688,142.657363891602,13.8173770904541,0.146292224526405,15.9979343414307,0.413236081600189,-0.361399173736572,58.595157623291,6.08616352081299,2.02137470245361,1.21862661838531,0.0803537666797638,5.7098388671875,11.8500003814697,13.1256303787231
InChI%3D1S%2FC7H8N2O%2Fc8-9-7%2810%296-4-2-1-3-5-6%2Fh1-5H%2C8H2%2C%28H%2C9%2C10%29,0.582172989845276,0.454107165336609,0.185020476579666,0.583430409431458,4.74516582489014,22.5734806060791,6.90595054626465,0.0671299621462822,15.9949178695679,0.276981920003891,-0.343465089797974,11.6508436203003,4.52953100204468,0.463596194982529,1.61971056461334,0.241916090250015,1.91282343864441,11.8500003814697,8.58138084411621
InChI%3D1S%2FC15H13NO2%2Fc1-10%2817%2916%2818%2913-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9%2C18H%2C8H2%2C1H3,0.451553165912628,0.189558073878288,0.227203205227852,0.538561582565308,4.40842008590698,63.5439109802246,15.6340713500977,0.0334999412298203,15.9959230422974,0.128086224198341,-0.301107108592987,34.1624221801758,13.1078214645386,0.523740470409393,1.17967283725739,0.378810375928879,2.00250911712646,11.8500003814697,10.1284475326538
InChI%3D1S%2FC6H4Cl3N%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2H%2C10H2,0.436081975698471,0.265526533126831,0.139415115118027,0.493857949972153,6.44328546524048,13.4825229644775,5.6930513381958,0.00139245903119445,34.9710578918457,0.388675272464752,-0.299190670251846,7.72856140136719,3.47237586975098,0.00792734138667583,1.1954665184021,0.207449212670326,2.21274828910828,11.9985628128052,9.72657775878906
InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3,0.588236749172211,0.270817041397095,0.0673320740461349,0.659962296485901,5.95733261108398,27.0065174102783,8.14348030090332,0.0264929383993149,14.0030784606934,0.331256926059723,-0.302248537540436,15.8191432952881,5.23015165328979,0.215744733810425,1.51901602745056,0.231687590479851,2.69758439064026,11.8900003433228,8.58035278320312
InChI%3D1S%2FC6Cl5NO2%2Fc7-1-2%288%294%2810%296%2812%2813%2914%295%2811%293%281%299,0.422274947166443,0.151979625225067,0.213407382369041,0.508661389350891,4.28521871566772,17.6682624816895,6.48403644561768,0.0132972160354257,34.9729766845703,0.390542566776276,-0.192789793014526,10.3402547836304,3.86552453041077,0.0862196311354637,1.08291602134705,0.197120174765587,2.53229212760925,11.9985628128052,11.2744207382202
InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H,0.508299887180328,0.676475048065186,0.223458230495453,0.57289046049118,5.76899528503418,4.57950258255005,2.75970983505249,3.76995767936705e-10,34.9710578918457,0.39484977722168,-0.144798561930656,1.81979262828827,1.67003893852234,1.04039887816043e-09,1.75766539573669,0.203862652182579,1.08967077732086,11.998706817627,8.80775833129883
InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2,0.435623586177826,0.52447098493576,0.11297070235014,0.528482139110565,5.58353137969971,25.0925006866455,6.77882194519043,0.153822928667068,78.91943359375,0.204858690500259,-0.389359951019287,12.0184459686279,4.34738302230835,1.04273819923401,1.48857665061951,0.230988785624504,1.38870048522949,11.9988508224487,8.9259614944458
InChI%3D1S%2FC15H13NO%2Fc1-10%2817%2916-13-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9H%2C8H2%2C1H3%2C%28H%2C16%2C17%29,0.445098012685776,0.294827401638031,0.137473955750465,0.452039927244186,4.78504514694214,89.2233657836914,13.7965545654297,0.108010016381741,15.9949188232422,0.165870442986488,-0.348237693309784,41.2640419006348,10.0179481506348,1.49016606807709,1.19196534156799,0.294589668512344,2.28844046592712,11.8500003814697,10.0872745513916
InChI%3D1S%2FC6H12Cl2O%2Fc1-5%283-7%299-6%282%294-8%2Fh5-6H%2C3-4H2%2C1-2H3,0.62225615978241,0.452747881412506,0.299426376819611,0.633170008659363,4.0085973739624,8.62971210479736,5.20537424087524,7.01055910212744e-07,15.9982585906982,0.148399755358696,-0.344972491264343,3.42432498931885,4.43289422988892,3.6492583603831e-06,1.70817410945892,0.388699650764465,0.772476315498352,11.9965486526489,5.55851697921753
InChI%3D1S%2FC8H12N4O5%2Fc9-7-10-2-12%288%2816%2911-7%296-5%2815%294%2814%293%281-13%2917-6%2Fh2-6%2C13-15H%2C1H2%2C%28H2%2C9%2C11%2C16%29,0.501257300376892,0.42685067653656,0.17237862944603,0.52134782075882,4.30835771560669,50.2779083251953,9.83089351654053,0.0973759442567825,16.0,0.264844417572021,-0.408791244029999,24.8194179534912,6.26994371414185,0.95729261636734,1.44945573806763,0.228334724903107,2.60365724563599,11.9962921142578,9.42023468017578
InChI%3D1S%2FC12H12N2O2%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%2Fh1-6%2C15-16H%2C13-14H2,0.528474688529968,0.545746326446533,0.194100216031075,0.559957563877106,5.27607822418213,50.4267616271973,13.4779863357544,0.0299724899232388,15.9959230422974,0.151738822460175,-0.359773725271225,27.8370380401611,11.028883934021,0.403968840837479,1.63417851924896,0.363716512918472,2.04513382911682,11.8500003814697,9.7813892364502
InChI%3D1S%2FC12H17NO3%2Fc1-3-16-11-6-4-10%285-7-11%2913-12%2815%298-9%282%2914%2Fh4-7%2C9%2C14H%2C3%2C8H2%2C1-2H3%2C%28H%2C13%2C15%29,0.440370470285416,0.331079572439194,0.206903293728828,0.546816349029541,4.64147853851318,69.4614334106445,15.7710781097412,0.0271472614258528,15.998706817627,0.164005160331726,-0.417630821466446,39.5638618469238,12.7563982009888,0.428141593933105,1.31826639175415,0.356635689735413,2.58653807640076,11.9962186813354,8.79890060424805
InChI%3D1S%2FC12H13N3O%2Fc13-8-1-3-9%284-2-8%2916-10-5-6-11%2814%2912%2815%297-10%2Fh1-7H%2C13-15H2,0.401460379362106,0.404914200305939,0.162237480282784,0.5833500623703,5.5415997505188,68.8908081054688,13.7224435806274,0.0815990343689919,15.9949188232422,0.130556210875511,-0.310134172439575,33.4804611206055,10.8111553192139,1.11973822116852,1.38972461223602,0.340883553028107,1.79155039787292,11.8500003814697,8.73480319976807
InChI%3D1S%2FC12H4Cl4O2%2Fc13-5-1-9-10%282-6%285%2914%2918-12-4-8%2816%297%2815%293-11%2812%2917-9%2Fh1-4H,,,0.168600007891655,,6.6611008644104,,,,34.9720077514648,,-0.355713248252869,,,,,,,11.9985237121582,9.7629337310791
InChI%3D1S%2FC10Cl10O%2Fc11-2-1%2821%293%2812%296%2815%294%282%2C13%298%2817%295%282%2C14%297%283%2C16%299%286%2C18%2910%288%2C19%2920,0.419405698776245,0.310833990573883,0.227750346064568,0.384889185428619,7.08480787277222,30.5811653137207,6.56050825119019,0.254115641117096,34.9779205322266,0.342923402786255,-0.293300718069077,14.1053991317749,2.64362859725952,1.66712784767151,1.11512887477875,0.0522207021713257,2.24975180625916,11.9985313415527,16.7201957702637
InChI%3D1S%2FC26H34O6%2Fc1-25%282%2C23%2827%2928%2914-8-16-31-20-12-13-22%2821%2818-20%2919-10-6-5-7-11-19%2932-17-9-15-26%283%2C4%2924%2829%2930%2Fh5-7%2C10-13%2C18H%2C8-9%2C14-17H2%2C1-4H3%2C%28H%2C27%2C28%29%28H%2C29%2C30%29,0.0804470032453537,0.441881239414215,0.337834179401398,0.572483837604523,4.32627773284912,677.919677734375,34.6516304016113,0.0590266995131969,16.0066566467285,0.218136861920357,-0.346152812242508,256.020568847656,25.0474605560303,2.04537129402161,1.09481203556061,0.292127341032028,7.55879783630371,11.9883632659912,10.7343349456787
InChI%3D1S%2FC7H9N%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C8H2%2C1H3,0.525409936904907,0.137043952941895,0.0497513934969902,0.565382659435272,5.71616888046265,15.0006694793701,5.77672004699707,0.0174471009522676,14.0090999603271,0.414966344833374,-0.33662161231041,8.43179035186768,3.27878856658936,0.10078702121973,1.22783648967743,0.175689920783043,2.39714431762695,11.9935121536255,8.04589366912842
InChI%3D1S%2FC7H5Cl2NO2%2Fc8-3-1-4%287%2811%2912%296%289%295%2810%292-3%2Fh1-2H%2C10H2%2C%28H%2C11%2C12%29,0.438054651021957,0.202380463480949,0.292752802371979,0.564714848995209,4.47721290588379,20.519702911377,6.88179349899292,0.0239030104130507,34.9701538085938,0.38346791267395,-0.32770636677742,11.8675174713135,4.07835102081299,0.164495587348938,1.20514988899231,0.194471806287766,2.63894701004028,11.9985513687134,9.81963443756104
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H,0.584676504135132,0.153908848762512,0.126760989427567,0.563982427120209,4.70625352859497,11.1832513809204,5.00473308563232,1.66244802812798e-07,15.9982585906982,0.442321747541428,-0.382762879133224,6.1785135269165,2.79102993011475,8.32010812246153e-07,1.30256772041321,0.16825857758522,2.21370220184326,11.9963550567627,6.95473098754883
InChI%3D1S%2FC6H7N3O2%2Fc7-4-1-2-5%288%296%283-4%299%2810%2911%2Fh1-3H%2C7-8H2,0.496854513883591,0.359319895505905,0.178614720702171,0.545059025287628,3.67611265182495,17.8424644470215,6.8544397354126,0.00222203810699284,16.0168724060059,0.354972332715988,-0.323234558105469,10.8247423171997,4.40607213973999,0.0152308261021972,1.40123343467712,0.23210421204567,2.43313646316528,11.9989995956421,8.16389083862305
InChI%3D1S%2FC7H9N3O%2Fc8-7%2811%2910-9-6-4-2-1-3-5-6%2Fh1-5%2C9H%2C%28H3%2C8%2C10%2C11%29,0.495260685682297,0.305494219064713,0.221419751644135,0.55829119682312,4.48026514053345,24.8488311767578,9.46127700805664,0.0148332007229328,15.9949178695679,0.168992921710014,-0.335241287946701,13.6548051834106,7.72204732894897,0.140341028571129,1.35904610157013,0.362130403518677,1.59888887405396,11.8500003814697,8.39475631713867
InChI%3D1S%2FC6H6N6O%2Fc1-12%2811-13%296-4-5%288-2-7-4%299-3-10-6%2Fh2-3H%2C1H3%2C%28H%2C7%2C8%2C9%2C10%29,0.393965810537338,0.205093413591385,0.153810679912567,0.572004079818726,3.40919971466064,25.7369937896729,8.10024929046631,0.025175653398037,15.9949188232422,0.301158756017685,-0.295512080192566,14.922082901001,5.45685911178589,0.203929051756859,1.17106330394745,0.255249202251434,2.43946075439453,11.9945430755615,9.06374835968018
InChI%3D1S%2FC16H11N3O6%2Fc1-18-8-12%2816%2821%2922%2914%2820%2911-6-3-9%2817-15%2811%2918%292-4-10-5-7-13%2825-10%2919%2823%2924%2Fh2-8H%2C1H3%2C%28H%2C21%2C22%29,0.189921572804451,0.343745738267899,,0.463377445936203,,163.712203979492,15.2916116714478,0.166829615831375,,0.232346683740616,,65.1452560424805,9.18756294250488,2.55109357833862,0.997044742107391,0.200617775321007,3.55295515060425,,
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3,0.210468098521233,0.54795777797699,0.0421749949455261,0.482771903276443,3.80328798294067,25.9894123077393,6.22199249267578,0.198464378714561,16.0009727478027,0.343172937631607,-0.331851780414581,12.2478446960449,2.85192918777466,1.2348438501358,1.24119770526886,0.0937720090150833,2.13521957397461,11.9989995956421,6.81850528717041
InChI%3D1S%2FC9H11NO2%2Fc1-2-12-8-6-4-3-5-7%288%299%2810%2911%2Fh3-6H%2C2H2%2C1H3%2C%28H2%2C10%2C11%29,0.426374554634094,0.372256517410278,0.189774960279465,0.478808224201202,5.01782417297363,37.1311302185059,8.94623470306396,0.0481715463101864,15.9982604980469,0.364390850067139,-0.367290049791336,20.8017616271973,5.25535488128662,0.430953949689865,1.27743923664093,0.190578207373619,3.25992608070374,11.9962692260742,9.01569557189941
InChI%3D1S%2FC8H13NO2%2Fc1-9-5-3-4-7%286-9%298%2810%2911-2%2Fh4H%2C3%2C5-6H2%2C1-2H3,0.462361425161362,0.360737264156342,0.289889454841614,0.482321113348007,4.54083251953125,32.6597328186035,8.79802227020264,0.0789771005511284,15.9959192276001,0.19013786315918,-0.329131782054901,16.3873481750488,6.43034267425537,0.694842278957367,1.30541980266571,0.298163771629333,1.67283725738525,11.9944725036621,8.79600811004639
InChI%3D1S%2FC8H10N2S%2Fc1-2-7-5-6%288%289%2911%293-4-10-7%2Fh3-5H%2C2H2%2C1H3%2C%28H2%2C9%2C11%29,0.386144191026688,0.371190696954727,0.138115152716637,0.595518231391907,5.57255744934082,36.1164817810059,8.64298152923584,0.0901365578174591,31.972677230835,0.239678934216499,-0.293129980564117,18.125560760498,5.79239225387573,0.779048562049866,1.35285305976868,0.252638399600983,2.07154059410095,11.9984741210938,9.96507358551025
InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H,0.559560418128967,0.484766662120819,0.107915632426739,0.55895733833313,3.40496802330017,41.4051628112793,11.9338283538818,0.0283282157033682,15.9949188232422,0.166535034775734,-0.258832335472107,23.015775680542,9.60836315155029,0.338064044713974,1.60328447818756,0.353852570056915,1.98740041255951,11.8500003814697,9.02811431884766
InChI%3D1S%2FC6H7ClN2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H%2C8-9H2,0.576739251613617,0.386880993843079,0.0744823962450027,0.518357038497925,5.80192375183105,14.1982984542847,5.80487155914307,0.00261615868657827,34.9688529968262,0.42187163233757,-0.334154278039932,8.2691822052002,3.34077429771423,0.0151864644140005,1.48197734355927,0.181634157896042,2.44891047477722,11.9935512542725,8.60813617706299
InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3,0.399003863334656,0.477585881948471,0.190624639391899,0.575621008872986,3.63411474227905,23.4612293243408,7.20175361633301,0.0875485837459564,16.0168704986572,0.201536357402802,-0.265907466411591,11.5742015838623,5.11983489990234,0.630503296852112,1.45221078395844,0.283186286687851,1.45141518115997,11.9989995956421,7.84538078308105
InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2,0.310963600873947,0.427197813987732,0.10469364374876,0.569364666938782,3.65949654579163,6.84685850143433,3.46920323371887,0.124294184148312,15.9977836608887,0.170127391815186,-0.393309623003006,2.75469613075256,2.44779491424561,0.431201785802841,1.30752611160278,0.279183804988861,0.590206503868103,11.9970207214355,5.44575548171997
InChI%3D1S%2FC24H36O5%2Fc1-5-15%283%2924%2827%2929-21-11-14%282%2910-17-7-6-16%284%2920%2823%2817%2921%299-8-19-12-18%2825%2913-22%2826%2928-19%2Fh6-7%2C10%2C14-16%2C18-21%2C23%2C25H%2C5%2C8-9%2C11-13H2%2C1-4H3,0.409746706485748,0.333922624588013,0.281334728002548,0.344060719013214,4.24397087097168,263.998199462891,17.9157447814941,0.14903612434864,15.9997577667236,0.34366974234581,-0.391941726207733,96.6664199829102,9.08855152130127,2.67009305953979,1.08773005008698,0.130470603704453,6.1570987701416,11.996636390686,12.2281122207642
InChI%3D1S%2FC6H4F4N2%2Fc7-1-2%288%295%2811%294%2810%296%2812%293%281%299%2Fh11-12H2,0.484612584114075,0.358797997236252,0.211468711495399,0.553701817989349,4.06046724319458,15.8756656646729,6.30837059020996,0.00189496984239668,19.0020370483398,0.38350522518158,-0.298506677150726,9.45516586303711,3.87712335586548,0.011954172514379,1.39711236953735,0.210949867963791,2.41929292678833,11.9975233078003,7.48176908493042
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,0.509990632534027,0.219182327389717,0.175847336649895,0.52132660150528,3.59882807731628,22.1194076538086,7.38752269744873,0.0228453148156404,16.0169982910156,0.324716061353683,-0.275286048650742,12.7805261611938,4.81990528106689,0.168770268559456,1.25049960613251,0.239328980445862,2.3988471031189,11.9989995956421,8.25090026855469
InChI%3D1S%2FC5H8%2Fc1-4-5%282%293%2Fh4H%2C1-2H2%2C3H3,0.577608168125153,0.153854951262474,0.0612239465117455,0.485876083374023,5.24886846542358,9.50950813293457,4.31229257583618,0.0280466750264168,12.1100559234619,0.380312919616699,-0.159536510705948,4.69115209579468,2.55132627487183,0.12094546854496,1.21733927726746,0.193730294704437,1.64002048969269,11.8900003433228,7.23342752456665
InChI%3D1S%2FC15H11ClN2O2%2Fc16-10-6-7-12-11%288-10%2913%289-4-2-1-3-5-9%2918-15%2820%2914%2819%2917-12%2Fh1-8%2C15%2C20H%2C%28H%2C17%2C19%29,0.422191649675369,0.486706048250198,0.211560651659966,0.506704926490784,5.37996768951416,84.2602844238281,12.2105340957642,0.0881625264883041,34.9688529968262,0.338196814060211,-0.364829391241074,40.911262512207,7.00445890426636,1.07651150226593,1.41560256481171,0.180230498313904,4.12956380844116,11.8500003814697,11.2746505737305
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,0.612549304962158,0.450028419494629,0.0551623143255711,0.546312093734741,5.49149465560913,11.4118309020996,4.21959447860718,0.191219091415405,14.0082683563232,0.244505882263184,-0.330045133829117,5.21014499664307,2.38101196289062,0.806867122650146,1.60888981819153,0.173206269741058,1.03171575069427,11.9946517944336,7.11350584030151
InChI%3D1S%2FC14H19NO2%2Fc1-17-14%2816%2913%2811-7-3-2-4-8-11%2912-9-5-6-10-15-12%2Fh2-4%2C7-8%2C12-13%2C15H%2C5-6%2C9-10H2%2C1H3,0.381265491247177,0.482162773609161,0.270336866378784,0.413960367441177,4.89371013641357,86.5772094726562,11.2399730682373,0.14408452808857,15.9959230422974,0.377152651548386,-0.342147678136826,38.3926544189453,5.38128137588501,1.61950612068176,1.27738857269287,0.109072133898735,4.23918533325195,11.9943561553955,10.8809442520142
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,0.339734256267548,0.389124244451523,0.457887351512909,0.455392777919769,3.13474416732788,31.6007251739502,8.24731826782227,0.0787847712635994,34.970157623291,0.24143348634243,-0.287472993135452,16.0999088287354,5.60637617111206,0.64976304769516,1.18425130844116,0.259836316108704,1.99117875099182,11.9985990524292,8.39773941040039
InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3,0.551641523838043,0.504769206047058,0.170067086815834,0.608690738677979,4.20426750183105,21.0683002471924,5.74765634536743,0.189186230301857,126.904472351074,0.280239075422287,-0.417714297771454,9.97946548461914,3.04956126213074,1.08737742900848,1.66510152816772,0.147931024432182,1.61071789264679,11.9963550567627,11.7190961837769
InChI%3D1S%2FC6H6O4%2Fc7-2-4-1-5%288%296%289%293-10-4%2Fh1%2C3%2C7%2C9H%2C2H2,0.474859595298767,0.481450468301773,0.166036695241928,0.535756707191467,4.14775705337524,18.1832504272461,5.33205318450928,0.203090772032738,15.9989624023438,0.258977115154266,-0.394000768661499,8.56213283538818,2.86828279495239,1.08289074897766,1.49206674098969,0.153449088335037,1.38087975978851,11.9968357086182,7.39882612228394
InChI%3D1S%2FC12H14N2O2%2Fc1-2-12%289-6-4-3-5-7-9%2910%2815%2913-8-14-11%2812%2916%2Fh3-7H%2C2%2C8H2%2C1H3%2C%28H%2C13%2C15%29%28H%2C14%2C16%29,,,0.153584122657776,,5.91479682922363,,,,15.9959230422974,,-0.348427027463913,,,,,,,11.8500003814697,11.9546918869019
InChI%3D1S%2FC7H5Cl3%2Fc8-7%289%2C10%296-4-2-1-3-5-6%2Fh1-5H,0.522832572460175,0.127114683389664,0.321513444185257,0.557454288005829,6.76730298995972,16.394458770752,5.89370203018188,0.0459828823804855,34.9710578918457,0.321425676345825,-0.139393776655197,8.58665657043457,3.72830533981323,0.271009415388107,1.20740151405334,0.224443569779396,1.89438724517822,11.9985513687134,11.6391286849976
InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,0.627315998077393,0.222221478819847,0.153052613139153,0.737355470657349,3.88754177093506,5.1954402923584,2.92630219459534,0.0597096048295498,15.9979419708252,0.262159526348114,-0.372745186090469,2.00313854217529,1.98441588878632,0.174728348851204,1.58689296245575,0.258598148822784,0.767157971858978,11.9966878890991,5.17695713043213
InChI%3D1S%2FC2H8N2O%2Fc3-4-1-2-5%2Fh4-5H%2C1-3H2,0.531406819820404,0.228640764951706,0.0828494131565094,0.553485035896301,3.72455358505249,8.65374946594238,4.24204349517822,0.0754562839865685,15.9979429244995,0.177975296974182,-0.419731229543686,3.64637351036072,3.16697549819946,0.320088803768158,1.31353259086609,0.309926331043243,0.754978895187378,11.9966878890991,5.73975563049316
InChI%3D1S%2FC6H8O%2Fc1-2-3-4-5-6-7%2Fh2-6H%2C1H3,0.500748217105865,0.133334532380104,0.22660993039608,0.56953239440918,3.51526832580566,13.9179563522339,6.76460123062134,0.0154648581519723,16.0059242248535,0.153753161430359,-0.382098793983459,6.54187297821045,5.61990880966187,0.104613594710827,1.20361518859863,0.373086482286453,1.04007875919342,11.9886989593506,6.97365760803223
InChI%3D1S%2FC12H8Cl6O%2Fc13-8-9%2814%2911%2816%295-3-1-2%286-7%283%2919-6%294%285%2910%288%2C15%2912%2811%2C17%2918%2Fh2-7H%2C1H2,0.396700859069824,0.458064943552017,0.260110318660736,0.552885591983795,6.51899480819702,34.5265884399414,7.34609842300415,0.219552531838417,34.9739608764648,0.231829643249512,-0.368371039628983,16.1104946136475,4.03020048141479,1.61285448074341,1.40765142440796,0.161463379859924,1.70304334163666,11.9985237121582,15.5097017288208
InChI%3D1S%2FC14H8Cl4%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2918%2910-3-7-12%2816%298-4-10%2Fh1-8H,0.265506416559219,0.500004947185516,0.21543838083744,0.529582023620605,6.17832612991333,69.1245803833008,11.2657623291016,0.161431044340134,34.9720077514648,0.170105963945389,-0.146463736891747,31.6126613616943,7.53074502944946,1.81864368915558,1.29509341716766,0.251347243785858,1.91637325286865,11.9985179901123,12.4378805160522
InChI%3D1S%2FC13H19NO4S%2Fc1-3-9-14%2810-4-2%2919%2817%2C18%2912-7-5-11%286-8-12%2913%2815%2916%2Fh5-8H%2C3-4%2C9-10H2%2C1-2H3%2C%28H%2C15%2C16%29,0.408102840185165,0.424520581960678,0.309682041406631,0.504185855388641,4.21176815032959,134.096939086914,15.7703704833984,0.126370117068291,31.9720726013184,0.174654230475426,-0.346716344356537,57.8187828063965,11.0231056213379,1.99290359020233,1.33680927753448,0.274231731891632,2.75436186790466,11.9962062835693,12.058536529541
InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3,0.349346667528152,0.316668391227722,0.0949969589710236,0.6044921875,4.17043542861938,5.37952756881714,2.89213061332703,0.115307681262493,15.9974164962769,0.220621302723885,-0.394129395484924,2.07872605323792,1.9205801486969,0.333484888076782,1.27050721645355,0.248053267598152,0.63806563615799,11.9970207214355,5.21050453186035
InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3%2C5-8H%2C1%2C4H2%2C2H3,0.389614820480347,0.339596420526505,0.075649619102478,0.52940160036087,4.72248363494873,34.1256675720215,10.4142513275146,0.0532865896821022,15.9979438781738,0.132902726531029,-0.377474546432495,17.2017402648926,8.47522926330566,0.554939925670624,1.25861287117004,0.360357999801636,1.38408243656158,11.9962491989136,8.6657886505127
InChI%3D1S%2FC6H12N2%2Fc1-3-5-7-8-6-4-2%2Fh3-4%2C7-8H%2C1-2%2C5-6H2,0.508246541023254,0.4062539935112,0.121488086879253,0.633330404758453,5.04504251480103,27.469747543335,8.3121395111084,0.0822650045156479,14.0040798187256,0.157665312290192,-0.299343913793564,13.4959564208984,6.31780529022217,0.68379819393158,1.54783093929291,0.320052266120911,1.31053602695465,11.789999961853,6.87429809570312
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%2C1-2H3,0.273009896278381,0.412744045257568,0.180210560560226,0.403406411409378,5.90612030029297,467.051544189453,28.4548206329346,0.0688825696706772,16.0063915252686,0.230163842439651,-0.392668128013611,182.55940246582,19.9455089569092,1.96004116535187,1.08916032314301,0.275715202093124,6.54927110671997,11.9961137771606,14.961874961853
InChI%3D1S%2FC12H15N3O5%2Fc13-9%2812%2819%2920%295-6-10%2816%2915-14-8-3-1-7%282-4-8%2911%2817%2918%2Fh1-4%2C9%2C14H%2C5-6%2C13H2%2C%28H%2C15%2C16%29%28H%2C17%2C18%29%28H%2C19%2C20%29,0.520966053009033,0.386898756027222,0.295586317777634,0.546135127544403,4.00863361358643,92.5453491210938,16.6505947113037,0.053056638687849,16.0000019073486,0.148656651377678,-0.349928081035614,46.8296279907227,13.2919492721558,0.883424580097198,1.45399987697601,0.348715037107468,2.47522163391113,11.9962186813354,8.71062088012695
InChI%3D1S%2FC16H14Cl2O3%2Fc1-2-21-15%2819%2916%2820%2C11-3-7-13%2817%298-4-11%2912-5-9-14%2818%2910-6-12%2Fh3-10%2C20H%2C2H2%2C1H3,0.389367938041687,0.385313957929611,0.30301359295845,0.412946820259094,5.05576229095459,103.944595336914,12.1274738311768,0.147740364074707,34.969856262207,0.370735198259354,-0.371003687381744,44.7744064331055,5.839674949646,1.7917172908783,1.18762874603271,0.111143335700035,4.49608135223389,11.8500003814697,11.7646942138672
InChI%3D1S%2FC12H5Cl5%2Fc13-8-3-1-2-6%2810%288%2915%297-4-5-9%2814%2912%2817%2911%287%2916%2Fh1-5H,0.524482369422913,0.525441467761993,0.142961367964745,0.527349889278412,6.86269426345825,45.5124473571777,10.2635440826416,0.114766448736191,34.9729766845703,0.144430130720139,-0.172561705112457,21.9728851318359,7.60326910018921,1.17791056632996,1.57727372646332,0.305602580308914,1.48236501216888,11.9985237121582,11.8445825576782
InChI%3D1S%2FC2H5N%2Fc1-2-3-1%2Fh3H%2C1-2H2,0.364591777324677,0.529935657978058,0.0370628796517849,0.641497373580933,4.33660650253296,3.66983985900879,2.07184410095215,0.183501198887825,14.0080547332764,0.334103226661682,-0.342097848653793,1.33497250080109,0.999448418617249,0.38018587231636,1.53602480888367,0.111796669661999,0.692209839820862,11.9948453903198,4.61493253707886
InChI%3D1S%2FC3H5Cl%2Fc1-2-3-4%2Fh2-3H%2C1H3,0.384249150753021,0.222221687436104,0.0859039500355721,0.494833141565323,5.09068775177002,5.49027442932129,3.11629509925842,0.0559777580201626,34.9693794250488,0.227790370583534,-0.193005353212357,2.09759092330933,2.23198986053467,0.17444321513176,1.10130393505096,0.287173897027969,0.709861993789673,11.9986352920532,6.49442768096924
InChI%3D1S%2FC3H5ClO%2Fc1-3%284%292-5%2Fh2-3H%2C1H3,0.26607808470726,0.378641277551651,0.226792544126511,0.547404408454895,3.6251962184906,6.52411365509033,3.03838658332825,0.191415309906006,34.9688529968262,0.254026651382446,-0.38426285982132,2.72936105728149,1.6849616765976,0.581593692302704,1.19212377071381,0.165918543934822,0.771831154823303,11.9888439178467,7.23200225830078
InChI%3D1S%2FC5H10N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H2,0.54292368888855,0.379870176315308,0.0973048061132431,0.414257049560547,3.21393537521362,13.7149324417114,4.62141132354736,0.146192952990532,15.9949169158936,0.375551581382751,-0.162982970476151,6.50185012817383,2.21021509170532,0.675617754459381,1.3370509147644,0.108691595494747,1.73557841777802,11.8999996185303,7.06577014923096
InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2,0.510857462882996,0.377397239208221,0.121969997882843,0.51087474822998,6.42700004577637,46.5673980712891,8.34197425842285,0.162638619542122,31.9720726013184,0.418650835752487,-0.252056479454041,21.6754951477051,3.49287271499634,1.35672724246979,1.39912950992584,0.0640329048037529,3.49237489700317,11.8999996185303,11.133002281189
InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920%2921-11-12-3-5-13%286-4-12%2914-7-9-15%2818%2910-8-14%2Fh3-10H%2C11H2%2C1-2H3%2C%28H%2C19%2C20%29,0.480287104845047,0.388036102056503,0.309684932231903,0.536935031414032,4.20662307739258,105.866546630859,19.0120697021484,0.053809329867363,34.9688529968262,0.112249754369259,-0.360011845827103,52.2393074035645,15.8549432754517,1.02302670478821,1.40525817871094,0.375455677509308,2.13410019874573,11.9961700439453,9.81289482116699
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,0.567940950393677,0.599945545196533,0.0834903791546822,0.634450256824493,4.77382135391235,3.06072163581848,2.08433222770691,7.51464002135549e-10,34.9693794250488,0.341080158948898,-0.193793177604675,0.976389229297638,1.37340795993805,1.56630075576203e-09,1.80233669281006,0.244189888238907,0.710924386978149,11.998706817627,5.86817216873169
InChI%3D1S%2FC2H5Cl%2Fc1-2-3%2Fh2H2%2C1H3,0.587048292160034,0.499982506036758,0.0918074995279312,0.781995177268982,4.60632181167603,3.90391325950623,2.20058870315552,0.178759664297104,34.9693794250488,0.263882428407669,-0.219300657510757,1.42314839363098,1.22651553153992,0.393376529216766,1.86902594566345,0.168018415570259,0.580696702003479,11.998706817627,5.83542585372925
InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3,0.58412903547287,0.499927848577499,0.0830138474702835,0.738964915275574,5.42599678039551,4.07795095443726,2.25419640541077,0.17565755546093,78.9185180664062,0.283678025007248,-0.196960434317589,1.5151549577713,1.21876382827759,0.395966619253159,1.82302176952362,0.155498325824738,0.639465928077698,11.9989070892334,6.99242544174194
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%2B1,0.374997138977051,0.372276395559311,0.194254517555237,0.492573738098145,4.78477048873901,55.7099876403809,10.2093706130981,0.0960239544510841,15.9969272613525,0.28558012843132,-0.364911317825317,27.4550266265869,6.3134331703186,0.980344176292419,1.23984730243683,0.213796928524971,2.91559338569641,11.8500003814697,9.4895658493042
InChI%3D1S%2FC7H9N%2Fc1-6-3-2-4-7%288%295-6%2Fh2-5H%2C8H2%2C1H3,0.489764153957367,0.137007459998131,0.138066157698631,0.570468008518219,5.56436824798584,16.1717643737793,6.21826791763306,0.0160216111689806,14.003077507019,0.342672973871231,-0.302459627389908,9.10693264007568,3.9878089427948,0.0996266752481461,1.19723963737488,0.230979055166245,2.13083243370056,11.8500003814697,7.77341508865356
InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3,0.363533496856689,0.429789960384369,0.113158449530602,0.475867837667465,5.41362619400024,7.19797611236572,3.30974197387695,0.155418887734413,34.9701538085938,0.247291997075081,-0.213894069194794,3.05593228340149,1.97687292098999,0.51439642906189,1.2691912651062,0.19796684384346,0.818472683429718,11.9986352920532,8.06100273132324
InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,0.51197361946106,0.508576631546021,0.114693038165569,0.566284954547882,5.53635358810425,56.0517959594727,13.4880466461182,0.0710036903619766,15.9949188232422,0.104019783437252,-0.310138016939163,27.6122207641602,11.1273212432861,0.957701086997986,1.58683514595032,0.368732392787933,1.4030237197876,11.8500003814697,8.46330738067627
InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H,0.513889670372009,0.167045935988426,0.149764657020569,0.51488184928894,3.79509139060974,11.491982460022,5.21506929397583,1.96951518205424e-07,15.9949159622192,0.361415714025497,-0.29739835858345,6.27690696716309,3.33026027679443,1.02711589988758e-06,1.19581747055054,0.228938072919846,1.88480806350708,11.8500003814697,7.6498818397522
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%2C1-3H2,0.353408813476562,0.481626331806183,0.257467210292816,0.292319744825363,7.2653751373291,48.0703277587891,8.66451358795166,0.20348995923996,34.9759330749512,0.233019754290581,-0.173353880643845,22.02561378479,4.88236951828003,1.76314151287079,1.12735486030579,0.172617718577385,2.01900291442871,11.9985313415527,16.3920059204102
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%2C2-3H3,0.515922963619232,0.399851411581039,0.333123087882996,0.488746106624603,4.34051609039307,114.67325592041,14.56236743927,0.111328281462193,16.0061473846436,0.209650978446007,-0.340099722146988,51.1689262390137,9.88814926147461,1.6212033033371,1.4045205116272,0.259265542030334,3.05301475524902,11.988395690918,12.5465898513794
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%29,0.328689247369766,0.301155000925064,0.224180117249489,0.603919804096222,5.03663396835327,32.1573715209961,8.76960849761963,0.0482924170792103,31.972677230835,0.263509333133698,-0.344624102115631,17.4812755584717,6.03522920608521,0.42350560426712,1.23376405239105,0.266148686408997,2.31087398529053,11.9984836578369,9.25635623931885
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%2C1-6H3,0.541096329689026,0.385370820760727,0.453969925642014,0.448558211326599,3.95668864250183,745.400634765625,28.7965850830078,0.115498550236225,30.973762512207,0.302829742431641,-0.284090340137482,230.783477783203,16.7501583099365,3.32596373558044,1.37502539157867,0.186253786087036,8.72046184539795,11.8900003433228,8.89439105987549
InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3,0.445628792047501,0.455249458551407,0.262033939361572,0.476847529411316,4.29299449920654,27.8115882873535,8.27938938140869,0.0867909416556358,15.9959182739258,0.158601507544518,-0.311501413583755,13.6370086669922,6.24768972396851,0.718576014041901,1.37772583961487,0.31595566868782,1.31312370300293,11.8900003433228,7.50366020202637
InChI%3D1S%2FC10H9Cl7%2Fc1-4-6%282%2C3%298%2813%295%2811%297%284%2C12%299%2814%2C15%2910%288%2C16%2917%2Fh5H%2C1H2%2C2-3H3,0.395676881074905,0.419317692518234,0.272349834442139,0.493541717529297,8.44173526763916,33.7990264892578,6.9296350479126,0.251757442951202,34.9749450683594,0.305354416370392,-0.16488279402256,15.5398683547974,3.06905341148376,1.74458718299866,1.30853629112244,0.0821661129593849,2.11599469184875,11.9985313415527,15.9030141830444
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%2C1H2,0.433319211006165,0.354052275419235,0.260149985551834,0.460998296737671,7.26024341583252,31.3706016540527,6.79562997817993,0.227212384343147,34.9759330749512,0.290765374898911,-0.16848136484623,14.5811643600464,3.27564477920532,1.54405128955841,1.24836981296539,0.111516676843166,1.97593402862549,11.9985313415527,15.8327598571777
InChI%3D1S%2FC12H9N%2Fc1-3-7-11-9%285-1%2910-6-2-4-8-12%2810%2913-11%2Fh1-8%2C13H,0.529582381248474,0.390966027975082,0.127198740839958,0.554708659648895,6.99253129959106,25.9183521270752,9.33359622955322,1.6587922857525e-07,14.003080368042,0.255817919969559,-0.257607638835907,16.5847320556641,6.94589328765869,1.54824965648004e-06,1.47525703907013,0.308136433362961,2.3877010345459,11.8500003814697,9.76390075683594
InChI%3D1S%2FC13H11ClO%2Fc14-12-6-7-13%2815%2911%289-12%298-10-4-2-1-3-5-10%2Fh1-7%2C9%2C15H%2C8H2,0.46923953294754,0.359912604093552,0.0903838500380516,0.572989583015442,5.42532920837402,51.0305404663086,10.1839151382446,0.0920857191085815,34.9688529968262,0.239533975720406,-0.360145390033722,25.2752380371094,6.80672836303711,0.937793076038361,1.40214169025421,0.251285225152969,2.4393937587738,11.8500003814697,9.80322933197021
InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,0.422256916761398,0.195301547646523,0.0929321274161339,0.515889346599579,4.83613586425781,25.4467658996582,8.266921043396,0.0206212885677814,15.9949169158936,0.284062951803207,-0.347108125686646,14.8786993026733,5.74812030792236,0.170474573969841,1.13344776630402,0.271486818790436,2.3483259677887,11.9934787750244,8.20251178741455
InChI%3D1S%2FC4H8N2O%2Fc1-3-5-6%282%294-7%2Fh3-4H%2C1-2H3,0.467316210269928,0.270736336708069,0.286272138357162,0.614719212055206,3.52507853507996,14.8884239196777,6.05177164077759,0.0365414395928383,16.0059261322021,0.230119973421097,-0.360252618789673,7.46989297866821,4.43799781799316,0.221140444278717,1.3527717590332,0.300003945827484,1.39263355731964,11.988787651062,6.81088018417358
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,0.81501841545105,0.618470847606659,0.0694901272654533,0.722472667694092,4.99268484115601,7.53748512268066,3.30574440956116,0.146238893270493,15.9974174499512,0.353749662637711,-0.402844548225403,3.29731059074402,1.65290999412537,0.483428418636322,2.15596199035645,0.125008568167686,1.16940593719482,11.9969358444214,5.7985143661499
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%2C1H3,0.397907286882401,0.406475991010666,0.234621196985245,0.37961357831955,5.30177450180054,325.713562011719,24.5081806182861,0.0782727971673012,15.9959259033203,0.205356642603874,-0.27872297167778,131.697280883789,17.5569381713867,1.91832363605499,1.18399679660797,0.287277936935425,5.03291749954224,11.8500003814697,11.2287511825562
InChI%3D1S%2FC18H16N2O7S2%2Fc1-10-3-6-15%2811%282%297-10%2919-20-17-14-9-13%2828%2822%2C23%2924%295-4-12%2814%298-16%2818%2817%2921%2929%2825%2C26%2927%2Fh3-9%2C19H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29,0.317198425531387,0.539110541343689,0.299098193645477,0.456625759601593,6.09752416610718,250.175888061523,20.0757179260254,0.0680058971047401,31.9730739593506,0.415266871452332,-0.285488307476044,112.027770996094,10.3736696243286,1.36526715755463,1.31293475627899,0.137545421719551,8.3367805480957,11.8500003814697,12.1747999191284
InChI%3D1S%2FC6H10N6O%2Fc1-12%282%2911-10-6-4%285%287%2913%298-3-9-6%2Fh3H%2C1-2H3%2C%28H2%2C7%2C13%29%28H%2C8%2C9%29,0.36996927857399,0.453500300645828,0.29493373632431,0.559027254581451,4.4594988822937,49.2647552490234,9.5874195098877,0.110458329319954,16.0059280395508,0.255301415920258,-0.355769038200378,23.9153594970703,6.08072710037231,1.05901026725769,1.38249683380127,0.225680187344551,2.44768190383911,11.988697052002,8.86913108825684
InChI%3D1S%2FC10H12O2%2Fc1-3-10%2811%298-4-6-9%2812-2%297-5-8%2Fh3-7%2C10-11H%2C1H2%2C2H3,0.493068516254425,0.471190899610519,0.0976644158363342,0.202414527535439,4.72988843917847,200.641311645508,18.8331928253174,0.0635812804102898,15.9982604980469,0.353972226381302,-0.383834153413773,94.2439575195312,10.9693279266357,1.19743859767914,1.1666738986969,0.186834886670113,6.66642713546753,11.9962491989136,8.90103912353516
InChI%3D1S%2FC12H19N3O%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29,0.473351210355759,0.346943765878677,0.231248423457146,0.573435842990875,4.97613048553467,72.2875137329102,14.2798109054565,0.0878630131483078,15.9949188232422,0.113470673561096,-0.275052219629288,34.8218803405762,11.4048042297363,1.25466728210449,1.39373087882996,0.348999738693237,1.62033987045288,11.8900003433228,9.11466121673584
InChI%3D1S%2FC19H30O5%2Fc1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18%2823-15-24-19%2912-16%2817%296-4-2%2Fh12-13H%2C3-11%2C14-15H2%2C1-2H3,0.517014861106873,0.438211113214493,0.15946426987648,0.48851203918457,5.0154275894165,194.05680847168,20.0398807525635,0.0672890469431877,15.9989385604858,0.222013667225838,-0.378762751817703,88.5704650878906,14.2422885894775,1.34846448898315,1.44373798370361,0.283022969961166,4.44912719726562,11.8900003433228,9.76204872131348
InChI%3D1S%2FC22H42O4%2Fc1-5-9-13-19%287-3%2917-25-21%2823%2915-11-12-16-22%2824%2926-18-20%288-4%2914-10-6-2%2Fh19-20H%2C5-18H2%2C1-4H3,,,0.262632638216019,,4.45367765426636,,,,15.9979372024536,,-0.316324681043625,,,,,,,11.8900003433228,9.01786708831787
InChI%3D1S%2FC14H16N2%2Fc1-9-7-11%283-5-13%289%2915%2912-4-6-14%2816%2910%282%298-12%2Fh3-8H%2C15-16H2%2C1-2H3,0.586961627006531,0.396227210760117,0.109306521713734,0.612129628658295,5.93190622329712,68.0111618041992,14.8366584777832,0.0386319272220135,14.0040884017944,0.162701234221458,-0.303225100040436,36.7795104980469,11.8495473861694,0.573168694972992,1.59531855583191,0.349000126123428,2.41394257545471,11.8500003814697,10.0765161514282
InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3,0.513335287570953,0.266643792390823,0.285360097885132,0.58952671289444,3.96330833435059,14.9415559768677,7.13775205612183,0.0295267812907696,15.9959173202515,0.121078833937645,-0.31257238984108,6.69952726364136,6.06276655197144,0.210754841566086,1.36950576305389,0.387045800685883,0.864230692386627,11.789999961853,6.08470726013184
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,0.525152504444122,0.622581303119659,0.120973698794842,0.406333029270172,6.00330066680908,9.84656238555908,4.60770845413208,1.34552799457843e-10,34.9701538085938,0.443036764860153,-0.178569987416267,5.238853931427,2.56632423400879,6.19980067284587e-10,1.55406677722931,0.167722433805466,2.04138422012329,11.9985628128052,8.44905281066895
InChI%3D1S%2FC4H12N2%2Fc1-2-3-4-6-5%2Fh6H%2C2-5H2%2C1H3,0.439928829669952,0.361472070217133,0.0101464251056314,0.533745884895325,4.50972747802734,14.9613428115845,6.08413696289062,0.0934039652347565,14.1130781173706,0.126866027712822,-0.375575512647629,6.79630374908447,4.74398422241211,0.56828248500824,1.33514678478241,0.334797501564026,0.771870255470276,11.9989995956421,6.5732626914978
InChI%3D1S%2FC5H6O2%2Fc6-4-5-2-1-3-7-5%2Fh1-3%2C6H%2C4H2,,,0.169376835227013,,3.99474692344666,,,,16.0007247924805,,-0.404704570770264,,,,,,,11.9939661026001,6.64411687850952
InChI%3D1S%2FC6H15NO3%2Fc8-4-1-7%282-5-9%293-6-10%2Fh8-10H%2C1-6H2,0.457562357187271,0.555159449577332,0.0819768831133842,0.484483540058136,4.09075975418091,23.0824565887451,5.97634601593018,0.180982500314713,15.9987030029297,0.315566390752792,-0.419871896505356,10.9686050415039,3.00879812240601,1.08161401748657,1.49720537662506,0.127588331699371,1.88593399524689,11.9963550567627,8.26262950897217
InChI%3D1S%2FC4H8Cl2O%2Fc5-1-3-7-4-2-6%2Fh1-4H2,0.669822514057159,0.533310890197754,0.114896833896637,0.535806477069855,5.02324676513672,13.6975059509277,5.97692155838013,0.0708552822470665,34.9701538085938,0.132529065012932,-0.377215027809143,6.12336397171021,4.7613091468811,0.423496454954147,1.73893988132477,0.347461730241776,0.792115807533264,11.9985990524292,6.6621527671814
InChI%3D1S%2FC18H12O6%2Fc1-21-11-7-12-13%288-5-6-22-18%288%2924-12%2917-15%2811%2916%2820%2914-9%2819%293-2-4-10%2814%2923-17%2Fh2-8%2C18-19H%2C1H3,0.436927646398544,0.259667009115219,0.260079950094223,0.519814908504486,5.18460464477539,106.264053344727,15.681097984314,0.0335747338831425,15.9999418258667,0.367337614297867,-0.359740793704987,62.0926132202148,9.39435195922852,0.526488661766052,1.21640956401825,0.199315741658211,5.76025676727295,11.8999996185303,10.6924905776978
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H,0.520732641220093,0.169794052839279,0.175369933247566,0.471362560987473,3.53151726722717,12.4963006973267,5.54307842254639,4.67145582661033e-07,34.9688529968262,0.346048295497894,-0.275413900613785,6.95320463180542,3.62490272521973,2.58942441178078e-06,1.16188931465149,0.240463420748711,1.91817283630371,11.9989995956421,8.33725643157959
InChI%3D1S%2FC15H12N2O2%2Fc18-13-15%2817-14%2819%2916-13%2C11-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H%2C%28H2%2C16%2C17%2C18%2C19%29,0.343536198139191,0.482728719711304,0.26398441195488,0.444322109222412,5.12747764587402,81.4720306396484,10.848165512085,0.170854240655899,15.9959239959717,0.308728784322739,-0.345643043518066,35.5790977478027,5.64556932449341,1.85345494747162,1.27058696746826,0.140312731266022,3.34914088249207,11.8500003814697,12.5015048980713
InChI%3D1S%2FC10H10N2%2Fc11-9-5-1-3-7-8%289%294-2-6-10%287%2912%2Fh1-6H%2C11-12H2,0.541837692260742,0.25669127702713,0.126750335097313,0.554064691066742,6.12990617752075,25.0073928833008,8.21089935302734,0.00429669534787536,14.0040845870972,0.391351461410522,-0.302935808897018,16.2339401245117,4.96227216720581,0.0352797321975231,1.35259366035461,0.203263878822327,3.21334767341614,11.8500003814697,9.69633007049561
InChI%3D1S%2FC8H6N4O4S%2Fc13-4-9-11-8-10-5%283-17-8%296-1-2-7%2816-6%2912%2814%2915%2Fh1-4H%2C%28H%2C9%2C13%29%28H%2C10%2C11%29,,,0.277929544448853,,3.41172909736633,,,,31.9720726013184,,-0.349673211574554,,,,,,,11.9989995956421,10.134165763855
InChI%3D1S%2FC11H16N4O4%2Fc16-8-4-14%285-9%2817%2912-8%292-1-3-15-6-10%2818%2913-11%2819%297-15%2Fh1-7H2%2C%28H%2C12%2C16%2C17%29%28H%2C13%2C18%2C19%29,0.436185985803604,0.420612633228302,0.283178865909576,0.503382861614227,4.39067077636719,56.002799987793,9.52162837982178,0.163460657000542,15.9979333877563,0.251271039247513,-0.347937911748886,25.7299137115479,5.5727071762085,1.55641174316406,1.36018145084381,0.188951224088669,2.3925096988678,11.994402885437,8.95776844024658
InChI%3D1S%2FC10H14N2O2%2Fc1-3-14-10-5-4-8%286-9%2810%2911%2912-7%282%2913%2Fh4-6H%2C3%2C11H2%2C1-2H3%2C%28H%2C12%2C13%29,0.139474034309387,0.346977531909943,0.161145329475403,0.525352656841278,4.73648548126221,159.299209594727,16.8948059082031,0.107304066419601,15.9982624053955,0.20988130569458,-0.371994137763977,68.2473602294922,11.536021232605,1.81288135051727,1.01180422306061,0.262110978364944,3.54590392112732,11.9962491989136,8.71209526062012
InChI%3D1S%2FC6H8N2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H%2C7-8H2,0.498882681131363,0.7504802942276,0.186238631606102,0.727145254611969,4.77278184890747,6.23527908325195,3.10556173324585,0.145255610346794,34.9701538085938,0.216235861182213,-0.337501972913742,2.5290310382843,1.98292756080627,0.451100260019302,1.97650825977325,0.228881388902664,0.671533823013306,11.998706817627,6.16513395309448
InChI%3D1S%2FC7H6O3%2Fc8-5-1-2-6-7%283-5%2910-4-9-6%2Fh1-3%2C8H%2C4H2,0.438888520002365,0.125000014901161,0.215978667140007,0.542904615402222,4.73680686950684,15.7514982223511,6.34335374832153,0.016303401440382,15.996919631958,0.280775666236877,-0.3603635430336,8.58684635162354,4.45887613296509,0.103418245911598,1.10679316520691,0.277190685272217,1.78105938434601,11.8500003814697,7.54720163345337
InChI%3D1S%2FC10H10O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh2%2C4-6H%2C1%2C3%2C7H2,0.114417053759098,0.471904665231705,0.206222757697105,0.501501202583313,5.35444307327271,69.6096496582031,11.7377023696899,0.0682240799069405,15.9959192276001,0.327707976102829,-0.316523164510727,36.0315933227539,7.0903697013855,0.800793945789337,1.08782291412354,0.203050956130028,3.84653878211975,11.8500003814697,8.81363296508789
InChI%3D1S%2FC7H8N2O3%2Fc1-12-7-3-2-5%289%2810%2911%294-6%287%298%2Fh2-4H%2C8H2%2C1H3,0.479288697242737,0.460700124502182,0.175470590591431,0.0643127784132957,3.57327485084534,184.086349487305,15.4857597351074,0.160370126366615,16.0169315338135,0.30549094080925,-0.372166901826859,71.4213180541992,8.27154731750488,2.48345327377319,1.00430154800415,0.15060418844223,4.73075914382935,11.9989995956421,8.158766746521
InChI%3D1S%2FC10H9N%2Fc11-10-6-5-8-3-1-2-4-9%288%297-10%2Fh1-7H%2C11H2,0.518250107765198,0.186546847224236,0.123880438506603,0.535498678684235,5.73497915267944,21.3361797332764,8.02958583831787,0.000866066780872643,14.0030794143677,0.286340147256851,-0.302460759878159,13.2150812149048,5.72343921661377,0.00695415772497654,1.24029564857483,0.284595340490341,2.29919290542603,11.8500003814697,9.15949249267578
InChI%3D1S%2FC8H8O%2Fc1-2-4-7%285-3-1%298-6-9-8%2Fh1-5%2C8H%2C6H2,0.42981430888176,0.182282209396362,0.106728918850422,0.534496605396271,5.11977910995483,17.2746086120605,6.20022869110107,0.0559422075748444,15.9974184036255,0.252628147602081,-0.388844400644302,8.74525547027588,4.28702163696289,0.346854478120804,1.14659309387207,0.268572211265564,1.56635236740112,11.9967775344849,8.1713809967041
InChI%3D1S%2FC2H3F%2Fc1-2-3%2Fh2H%2C1H2,0.655269145965576,0.566980123519897,0.116314359009266,0.801995575428009,2.7268283367157,2.67729997634888,1.89190638065338,2.35348296406812e-10,19.0001316070557,0.325145691633224,-0.25181770324707,0.785393536090851,1.27676117420197,4.45256942427363e-10,2.02424478530884,0.256140738725662,0.615145206451416,11.9978256225586,3.85553574562073
InChI%3D1S%2FC15H24O%2Fc1-10-8-11%2814%282%2C3%294%2913%2816%2912%289-10%2915%285%2C6%297%2Fh8-9%2C16H%2C1-7H3,0.604525208473206,0.408758759498596,0.0809597671031952,0.153061270713806,6.2446436882019,219.748199462891,19.4000015258789,0.0717702582478523,15.9949188232422,0.320118576288223,-0.359840601682663,98.3379821777344,11.7973575592041,1.3923431634903,1.16634523868561,0.206083372235298,6.2103009223938,11.8900003433228,10.7237062454224
InChI%3D1S%2FC24H12O2%2Fc25-23-17-7-3-1-5-13%2817%2915-9-11-20-22-16%2810-12-19%2823%2921%2815%2922%2914-6-2-4-8-18%2814%2924%2820%2926%2Fh1-12H,0.50713038444519,0.0839918255805969,0.175849720835686,0.523402154445648,5.91391229629517,80.3395919799805,18.0419311523438,0.00861103180795908,15.9959268569946,0.199969783425331,-0.293625175952911,54.294246673584,14.2787313461304,0.155359640717506,1.11452436447144,0.343564391136169,3.60784125328064,11.8500003814697,12.4715404510498
InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3,0.390562117099762,0.511703908443451,0.0723837167024612,0.50649619102478,4.37945222854614,33.4779319763184,7.85792303085327,0.115723110735416,15.9979429244995,0.263893097639084,-0.421305805444717,16.427547454834,4.87492799758911,0.909343302249908,1.40876221656799,0.215287834405899,2.0736517906189,11.9962921142578,8.34881782531738
InChI%3D1S%2FC15H16N4O%2Fc1-3-19-15-13%2810%282%2918-19%2917-12%2820%299-16-14%2815%2911-7-5-4-6-8-11%2Fh4-8H%2C3%2C9H2%2C1-2H3%2C%28H%2C17%2C20%29,0.484815359115601,0.364592522382736,0.157709419727325,0.183711007237434,5.32110548019409,250.933120727539,17.5196762084961,0.190310835838318,15.9949207305908,0.249935686588287,-0.346929401159286,90.2385559082031,9.80669975280762,3.33418440818787,1.03311884403229,0.169815108180046,4.37879276275635,11.8500003814697,11.6757907867432
InChI%3D1S%2FCH5N3O%2Fc2-1%285%294-3%2Fh3H2%2C%28H3%2C2%2C4%2C5%29,0.459867894649506,0.243912234902382,0.241836562752724,0.592740476131439,4.0774974822998,6.35770225524902,3.43288159370422,0.0433529056608677,15.9979429244995,0.257286339998245,-0.356193482875824,2.6092381477356,2.40082263946533,0.148825392127037,1.29652059078217,0.274520546197891,0.883233606815338,11.9969720840454,5.55325508117676
InChI%3D1S%2FC12H14O4%2Fc1-2-9%2813-5-11-7-15-11%294-10%283-1%2914-6-12-8-16-12%2Fh1-4%2C11-12H%2C5-8H2,0.241239830851555,0.283835649490356,0.107248842716217,0.544805943965912,4.70726680755615,149.894638061523,20.45383644104,0.0619283095002174,15.9989681243896,0.138696923851967,-0.391443938016891,70.6876983642578,16.3502807617188,1.26667153835297,1.06988143920898,0.349531084299088,2.83688449859619,11.996711730957,8.2209587097168
InChI%3D1S%2FC3H8N2O%2Fc1-2-5%284%293-6%2Fh3H%2C2%2C4H2%2C1H3,0.455678075551987,0.4535111784935,0.280887871980667,0.542772173881531,3.48014998435974,10.4836330413818,4.02567195892334,0.14722840487957,16.0059242248535,0.324231773614883,-0.361410588026047,4.81192207336426,2.1277277469635,0.592693269252777,1.45196139812469,0.146404847502708,1.30525076389313,11.9888429641724,6.63375473022461
InChI%3D1S%2FC12H13NO4S2%2Fc1-2-18%2814%2C15%2911-7-8-12%2819%2813%2C16%2917%2910-6-4-3-5-9%2810%2911%2Fh3-8H%2C2H2%2C1H3%2C%28H2%2C13%2C16%2C17%29,0.432103395462036,0.256800264120102,0.322378873825073,0.541041076183319,6.77820587158203,74.4296035766602,13.8570346832275,0.038034476339817,31.9751644134521,0.260241717100143,-0.290040284395218,42.0913047790527,9.72381114959717,0.527045071125031,1.22994482517242,0.276292860507965,3.60617876052856,11.9989995956421,12.8143854141235
InChI%3D1S%2FC14H9Cl5%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13H,0.380896061658859,0.566694617271423,0.306619226932526,0.196125760674477,6.19721698760986,133.286422729492,15.6436910629272,0.132694363594055,34.9729804992676,0.170624986290932,-0.144389227032661,57.2553100585938,10.8986568450928,2.07582950592041,1.14371645450592,0.272510498762131,2.66920471191406,11.9985179901123,13.3603820800781
InChI%3D1S%2FC2H2Cl2%2Fc1-2%283%294%2Fh1H2,0.570684134960175,0.650701820850372,0.201657861471176,0.799564301967621,5.76896047592163,3.83111977577209,2.42800378799438,3.55846685451411e-10,34.9701538085938,0.390500366687775,-0.148938372731209,1.40311598777771,1.47986733913422,8.63997096089975e-10,2.02095031738281,0.207124724984169,0.948136329650879,11.998706817627,7.83088684082031
InChI%3D1S%2FC7H8ClN%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C9H2%2C1H3,0.519146859645844,0.134831726551056,0.074270598590374,0.491902858018875,5.96118974685669,16.0868644714355,6.0561056137085,0.0169466957449913,34.9688529968262,0.398412704467773,-0.336401283740997,9.15398406982422,3.54064536094666,0.102630987763405,1.14588141441345,0.18848043680191,2.41282963752747,11.9935121536255,8.62907695770264
InChI%3D1S%2FC18H20O2%2Fc1-3-17%2813-5-9-15%2819%2910-6-13%2918%284-2%2914-7-11-16%2820%2912-8-14%2Fh5-12%2C19-20H%2C3-4H2%2C1-2H3,0.326003819704056,0.496363759040833,0.108995750546455,0.408552348613739,4.86094284057617,99.7780685424805,14.243257522583,0.0993265509605408,15.9959239959717,0.194902330636978,-0.361398875713348,46.0550727844238,10.0524797439575,1.41473364830017,1.23091995716095,0.279328346252441,2.77604413032532,11.8500003814697,11.5337781906128
InChI%3D1S%2FC8H12N2%2Fc9-10-7-6-8-4-2-1-3-5-8%2Fh1-5%2C10H%2C6-7%2C9H2,0.37044495344162,0.37352654337883,0.0898644328117371,0.525813519954681,4.67864465713501,28.8220539093018,8.96977519989014,0.0693936869502068,14.0040817260742,0.142459079623222,-0.271078318357468,14.2293548583984,7.06950378417969,0.62244576215744,1.26978504657745,0.341110438108444,1.27782595157623,11.8500003814697,8.53838157653809
InChI%3D1S%2FC11H10N4%2Fc1-15-9-5-4-8-7%283-2-6-13-8%2910%289%2914-11%2815%2912%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29,0.48543256521225,0.0764143317937851,0.158499091863632,0.531161725521088,5.75915718078613,33.512809753418,10.2947397232056,0.00704523967579007,14.0060968399048,0.275681346654892,-0.278246968984604,21.6981029510498,7.38414287567139,0.0725289061665535,1.09300863742828,0.287955045700073,2.83806777000427,11.8500003814697,10.1422071456909
InChI%3D1S%2FH2O4S%2Fc1-5%282%2C3%294%2Fh%28H2%2C1%2C2%2C3%2C4%29,,,0.41275629401207,,5.05649995803833,,,,31.972827911377,,-0.281596809625626,,,,,,,15.9933319091797,6.1619930267334
InChI%3D1S%2FC7H14N2O%2Fc1-3-4-5-6-8-9%282%297-10%2Fh6-7H%2C3-5H2%2C1-2H3,0.495294243097305,0.412459343671799,0.286287516355515,0.44599986076355,3.59479236602783,207.568222045898,28.2650451660156,0.0362066812813282,16.0059261322021,0.109672956168652,-0.360255867242813,102.715942382812,24.1417503356934,1.02338349819183,1.35375344753265,0.390590280294418,3.09991097450256,11.9886617660522,7.23639535903931
InChI%3D1S%2FC20H38N6O4%2Fc1-12%282%299-16%2824-14%285%2928%2919%2830%2926-17%2810-13%283%294%2918%2829%2925-15%2811-27%297-6-8-23-20%2821%2922%2Fh11-13%2C15-17H%2C6-10H2%2C1-5H3%2C%28H%2C24%2C28%29%28H%2C25%2C29%29%28H%2C26%2C30%29%28H4%2C21%2C22%2C23%29,0.3694928586483,0.385413020849228,0.169669419527054,0.394833296537399,4.13136148452759,246.868438720703,17.2409629821777,0.164839595556259,15.9979467391968,0.321992874145508,-0.349283844232559,90.0383911132812,8.84750270843506,2.84199333190918,1.1497391462326,0.134875655174255,5.5514669418335,11.9932918548584,10.5796794891357
InChI%3D1S%2FC14H10Cl4%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2918%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13-14H,0.369689077138901,0.41691529750824,0.204974785447121,0.474932193756104,6.16665410995483,62.822826385498,10.6345634460449,0.139910772442818,34.9720077514648,0.211355969309807,-0.178918287158012,29.115966796875,6.8989953994751,1.48789000511169,1.26153659820557,0.236549943685532,2.24767851829529,11.9985179901123,12.3823804855347
InChI%3D1S%2FC14H9Cl5O%2Fc15-11-5-1-9%282-6-11%2913%2820%2C14%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C20H,0.403921008110046,0.506233274936676,0.330760270357132,0.472317695617676,6.2119197845459,72.6612930297852,10.9883613586426,0.142701372504234,34.9729804992676,0.248418390750885,-0.374137967824936,33.0349464416504,6.69059610366821,1.56805419921875,1.38247191905975,0.206660181283951,2.72971105575562,11.9985179901123,13.8308811187744
InChI%3D1S%2FC2H5N5O3%2Fc1-6%285-8%292%283%294-7%289%2910%2Fh1H3%2C%28H2%2C3%2C4%29,0.432414561510086,0.470403611660004,0.237160116434097,0.488008797168732,3.15979909896851,17.3461761474609,5.17509174346924,0.183515906333923,16.0169334411621,0.306147426366806,-0.275765091180801,8.19719886779785,2.6410391330719,0.949711680412292,1.3908269405365,0.132752493023872,1.58434104919434,11.9989995956421,7.2362585067749
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-4-10-14%2812%2911%286-3-9%295-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,0.471633970737457,0.444852650165558,0.149009257555008,0.503248274326324,6.29478883743286,69.4261016845703,11.2224369049072,0.129057303071022,34.9739608764648,0.21916851401329,-0.358533978462219,32.1469612121582,7.31449508666992,1.44833755493164,1.41973495483398,0.238830640912056,2.45960474014282,11.9985208511353,11.8190536499023
InChI%3D1S%2FC14H14N2%2Fc1-2-16-13-6-4-3-5-11%2813%2912-9-10%2815%297-8-14%2812%2916%2Fh3-9H%2C2%2C15H2%2C1H3,0.516527831554413,0.158933818340302,0.148732721805573,0.513650059700012,5.90457057952881,68.1584777832031,12.4778518676758,0.035822406411171,14.0040884017944,0.386539101600647,-0.302486836910248,40.1415977478027,7.20768785476685,0.446986705064774,1.18911170959473,0.183228880167007,4.82317781448364,11.8500003814697,10.4951543807983
InChI%3D1S%2FC6H10N3O6P%2Fc1-5-7-4-6%289%2810%2911%298%285%292-3-15-16%2812%2C13%2914%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C12%2C13%2C14%29,0.481163620948792,0.398107975721359,,0.353186905384064,,56.8876953125,9.86516094207764,0.173223972320557,,0.200326845049858,,26.1514282226562,6.1800217628479,1.70888233184814,1.23245847225189,0.219836890697479,1.97625648975372,,
InChI%3D1S%2FC20H18ClNO6%2Fc1-10-7-12-14%2821%299-13%2817%2823%2916%2812%2920%2827%2928-10%2918%2824%2922-15%2819%2825%2926%298-11-5-3-2-4-6-11%2Fh2-6%2C9-10%2C15%2C23H%2C7-8H2%2C1H3%2C%28H%2C22%2C24%29%28H%2C25%2C26%29,0.455076992511749,0.481762081384659,0.312695205211639,0.617356479167938,4.46844434738159,178.01628112793,16.6057872772217,0.126286491751671,34.9688529968262,0.243281781673431,-0.35898420214653,72.7188110351562,10.4688148498535,2.09708642959595,1.55419552326202,0.222823798656464,4.03988552093506,11.9966526031494,10.5890645980835
InChI%3D1S%2FC15H23ClO4S%2Fc1-12%2820-21%2817%2919-10-9-16%2911-18-14-7-5-13%286-8-14%2915%282%2C3%294%2Fh5-8%2C12H%2C9-11H2%2C1-4H3,0.476865023374557,0.510447263717651,0.305258810520172,0.535978376865387,5.29558801651001,164.55012512207,22.7868595123291,0.055216372013092,34.9693794250488,0.118338078260422,-0.342834740877151,77.869270324707,18.8320980072021,1.25820767879486,1.52329063415527,0.369834154844284,2.69655299186707,11.9985160827637,9.65967178344727
InChI%3D1S%2FC9H7N7O2S%2Fc1-15-4-14-7%2816%2817%2918%299%2815%2919-8-5-6%2811-2-10-5%2912-3-13-8%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C12%2C13%29,0.421483218669891,0.39255091547966,0.300104588270187,0.609619617462158,3.82044148445129,64.0603866577148,13.0057258605957,0.0543193854391575,31.9720726013184,0.195704460144043,-0.266490250825882,33.5155830383301,9.75398445129395,0.706463038921356,1.42365372180939,0.312482118606567,2.54527854919434,11.8500003814697,11.2368860244751
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,0.502701938152313,0.345179170370102,0.0922131165862083,0.523338437080383,5.47908926010132,14.2207536697388,6.20779895782471,1.92086971328997e-10,12.1500825881958,0.294890582561493,-0.207942187786102,8.01295471191406,4.37717723846436,1.1924372600447e-09,1.37121951580048,0.278832048177719,1.83062148094177,11.8500003814697,8.29837989807129
InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3,0.555803835391998,0.285714119672775,0.166402727365494,0.810365974903107,2.50187182426453,3.25175404548645,2.01623344421387,0.110716313123703,16.0168685913086,0.272204846143723,-0.280141919851303,1.08309066295624,1.24417495727539,0.223229914903641,1.6518839597702,0.212809130549431,0.548828482627869,11.9999990463257,3.71501851081848
InChI%3D1S%2FC8H5N3O4S%2Fc12-4-9-8-10-5%283-16-8%296-1-2-7%2815-6%2911%2813%2914%2Fh1-4H%2C%28H%2C9%2C10%2C12%29,,,0.277933925390244,,3.40983009338379,,,,31.9720726013184,,-0.350755363702774,,,,,,,11.9989995956421,9.89373207092285
InChI%3D1S%2FC2H8N2%2Fc1-2-4-3%2Fh4H%2C2-3H2%2C1H3,0.374779522418976,0.404845207929611,0.0072840116918087,0.527751624584198,4.27146291732788,7.13416481018066,3.4026951789856,0.166609719395638,14.113076210022,0.178847908973694,-0.375708431005478,2.96306324005127,2.22720813751221,0.566922068595886,1.30737638473511,0.240906774997711,0.608564913272858,11.9989995956421,5.50450658798218
InChI%3D1S%2FC6H7ClN2%2Fc7-5-2-1-4%288%293-6%285%299%2Fh1-3H%2C8-9H2,0.526159405708313,0.466731607913971,0.160536900162697,0.548727810382843,5.66568040847778,15.0152063369751,6.11163139343262,0.00257976679131389,34.9688529968262,0.369963467121124,-0.302876174449921,8.76686668395996,3.83478450775146,0.0157665833830833,1.54161882400513,0.220592573285103,2.26108050346375,11.8500003814697,8.88063430786133
InChI%3D1S%2FC6H11Cl3O3%2Fc7-3-10-1-6%2812-5-9%292-11-4-8%2Fh6H%2C1-5H2,0.447664558887482,0.381455332040787,0.184893444180489,0.473630160093307,4.92080450057983,37.9377708435059,7.96052408218384,0.122840777039528,34.9710578918457,0.351065188646317,-0.357339948415756,18.5321731567383,4.18798398971558,0.977876961231232,1.30275011062622,0.144570529460907,2.79466271400452,11.9985628128052,8.30350685119629
InChI%3D1S%2FC8H10N2O%2Fc1-6-2-4-7%285-3-6%2910-8%289%2911%2Fh2-5H%2C1H3%2C%28H3%2C9%2C10%2C11%29,0.436678141355515,0.288198471069336,0.232823744416237,0.527471125125885,4.61589288711548,26.4248790740967,8.76034355163574,0.0476605817675591,15.9979438781738,0.165720745921135,-0.357173413038254,13.4875421524048,6.8910493850708,0.417523056268692,1.25234770774841,0.339964002370834,1.45177054405212,11.9962921142578,8.52332019805908
InChI%3D1S%2FC13H13N3O%2Fc1-17-13-9-11%287-8-12%2813%2914%2916-15-10-5-3-2-4-6-10%2Fh2-9H%2C14H2%2C1H3,0.506025373935699,0.44944429397583,0.104167252779007,0.100043594837189,4.93019866943359,170.87629699707,18.0213642120361,0.0952041819691658,15.9949197769165,0.201252058148384,-0.347041964530945,73.9597625732422,12.6788177490234,1.71570920944214,1.05551326274872,0.277657806873322,3.62683653831482,11.8500003814697,8.78825092315674
InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2,0.498882681131363,0.7504802942276,0.186238631606102,0.727145254611969,4.77278184890747,6.23527908325195,3.10556173324585,0.145255610346794,34.9701538085938,0.216235861182213,-0.337501972913742,2.5290310382843,1.98292756080627,0.451100260019302,1.97650825977325,0.228881388902664,0.671533823013306,11.998706817627,6.16513395309448
InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29,0.444035589694977,0.199850246310234,0.244296982884407,0.563698053359985,4.60374212265015,19.8347778320312,7.20184755325317,0.040180429816246,15.9949178695679,0.212848737835884,-0.27377125620842,10.2466516494751,5.37957000732422,0.289373338222504,1.20758390426636,0.310228139162064,1.53290414810181,11.8500003814697,8.39600563049316
InChI%3D1S%2FC26H29NO%2Fc1-4-25%2821-11-7-5-8-12-21%2926%2822-13-9-6-10-14-22%2923-15-17-24%2818-16-23%2928-20-19-27%282%293%2Fh5-18H%2C4%2C19-20H2%2C1-3H3,0.0590966157615185,0.284943670034409,0.0761179253458977,0.503998756408691,5.54172658920288,1033.9052734375,35.7274475097656,0.0827633664011955,15.9949216842651,0.28004401922226,-0.344497978687286,324.672302246094,22.765266418457,2.95692372322083,0.848039031028748,0.227894455194473,10.0052585601807,11.9932527542114,12.8652935028076
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,0.500000417232513,0.49996629357338,0.357137441635132,0.884060978889465,8.03598403930664,9.29221057891846,3.56451725959778,0.284946382045746,34.9739570617676,0.284958332777023,-0.136371359229088,4.1460394859314,1.53308212757111,1.01569628715515,1.88402760028839,0.0725714564323425,1.01573896408081,11.998706817627,12.6744661331177
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%29,0.533465266227722,0.298518389463425,0.191225305199623,0.523243546485901,3.58039736747742,46.9163360595703,11.1172590255737,0.0707066655158997,31.9720726013184,0.1637943983078,-0.275425553321838,23.6176795959473,8.51025009155273,0.786064267158508,1.35522723197937,0.324124217033386,1.82094478607178,11.9989995956421,10.1661405563354
InChI%3D1S%2FC12H14N4%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%2Fh1-6H%2C13-16H2,0.530752897262573,0.168989658355713,0.151954084634781,0.591819524765015,5.88872241973877,49.0068168640137,14.4575719833374,0.00476163718849421,14.0060987472534,0.185506850481033,-0.302005261182785,32.3878021240234,11.7067518234253,0.0688417181372643,1.2915620803833,0.357298642396927,2.68197870254517,11.8500003814697,10.0137023925781
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,0.400000005960464,0.403893411159515,0.27433830499649,0.343090027570724,6.52099990844727,3.91255211830139,2.12397623062134,0.225765258073807,78.9185180664062,0.381421357393265,-0.125714510679245,1.46446228027344,0.834326267242432,0.479520052671432,1.14698350429535,0.0446100309491158,0.810129880905151,11.9998188018799,9.64176177978516
InChI%3D1S%2FC7H7NO3%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3,0.427006334066391,0.216244518756866,0.189124897122383,0.500692009925842,3.60853624343872,21.490255355835,6.91675806045532,0.0310423951596022,16.0169315338135,0.391171395778656,-0.371313691139221,12.2518453598022,3.99640727043152,0.214712738990784,1.14394283294678,0.183339655399323,2.70563793182373,11.9989995956421,7.89644336700439
InChI%3D1S%2FC7H9NO%2Fc1-9-7-5-3-2-4-6%287%298%2Fh2-5H%2C8H2%2C1H3,0.441985070705414,0.124328434467316,0.0929016619920731,0.516623556613922,4.79683923721313,18.6366386413574,6.68824291229248,0.0148711642250419,15.9949169158936,0.378542900085449,-0.347105711698532,10.9267778396606,4.05699443817139,0.0994619578123093,1.08293700218201,0.20493945479393,2.53178691864014,11.9935121536255,7.8891978263855
InChI%3D1S%2FC7H8N2O2%2Fc8-9-6-3-1-5%282-4-6%297%2810%2911%2Fh1-4%2C9H%2C8H2%2C%28H%2C10%2C11%29,0.507164597511292,0.270938664674759,0.309630632400513,0.512633383274078,4.09343147277832,20.3079986572266,8.36130332946777,0.00221284432336688,15.9982604980469,0.210304692387581,-0.346704214811325,11.7324733734131,6.58437967300415,0.0185022614896297,1.29073655605316,0.340611845254898,1.75842130184174,11.996319770813,8.10157012939453
InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295,0.355824142694473,0.427129507064819,0.399312883615494,0.38088396191597,6.91758489608765,4.96389150619507,2.44040417671204,0.333317667245865,34.9720077514648,0.333335429430008,-0.118298806250095,1.98519086837769,0.813501119613647,0.813429832458496,1.16383755207062,1.01611385616707e-05,0.813473224639893,11.999472618103,10.4394407272339
InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2,0.687700510025024,0.314686894416809,0.0921870470046997,0.668623089790344,5.14009809494019,8.65217113494873,3.58813309669495,0.167843416333199,15.9977836608887,0.294400840997696,-0.39736932516098,3.83650279045105,1.9295392036438,0.60224449634552,1.67101049423218,0.153316795825958,1.05634951591492,11.9969358444214,5.4162769317627
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%29,0.385739237070084,0.294235527515411,0.161129385232925,0.539439141750336,4.70232963562012,42.5561180114746,14.1742191314697,0.0313366018235683,15.9982614517212,0.0871206000447273,-0.371988624334335,21.5283813476562,12.4951810836792,0.444171845912933,1.21941387653351,0.411157101392746,1.23486649990082,11.9962491989136,8.43958759307861
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%2C1-4H3,0.419183611869812,0.347017109394073,0.0691192895174026,0.544424057006836,6.01162242889404,153.45393371582,23.1477355957031,0.0453609526157379,14.0095205307007,0.116310156881809,-0.319642126560211,75.4482192993164,19.4054164886475,1.05000329017639,1.31062471866608,0.378746658563614,2.69231677055359,11.9933195114136,10.0454006195068
InChI%3D1S%2FC2H4N2O2%2Fc5-1-3-4-2-6%2Fh1-2H%2C%28H%2C3%2C5%29%28H%2C4%2C6%29,0.391931653022766,0.487929850816727,0.171854048967361,0.645650744438171,3.66973209381104,8.681565284729,5.52380657196045,2.56254907071707e-07,15.9982585906982,0.117234393954277,-0.372415870428085,3.15775442123413,4.87622499465942,1.41550253829337e-06,1.52551221847534,0.412073999643326,0.647580146789551,11.9966878890991,5.16938781738281
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,0.535361468791962,0.22936287522316,0.252414166927338,0.541985213756561,5.49807024002075,35.9274368286133,11.051664352417,3.42347561854695e-07,15.9979286193848,0.284747153520584,-0.360632389783859,24.8756771087646,7.90473079681396,3.78351046492753e-06,1.30670952796936,0.286439388990402,3.14692997932434,11.8999996185303,10.1118154525757
InChI%3D1S%2FCHBr2Cl%2Fc2-1%283%294%2Fh1H,0.400000005960464,0.418747276067734,0.259139686822891,0.552301347255707,7.10049629211426,4.09437274932861,2.18151497840881,0.240091681480408,78.91943359375,0.362182378768921,-0.129896730184555,1.55380153656006,0.867645025253296,0.523763537406921,1.37104856967926,0.0482944510877132,0.790106236934662,11.9998188018799,10.7978801727295
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,0.400000005960464,0.403893411159515,0.27433830499649,0.343090027570724,6.52099990844727,3.91255211830139,2.12397623062134,0.225765258073807,78.9185180664062,0.381421357393265,-0.125714510679245,1.46446228027344,0.834326267242432,0.479520052671432,1.14698350429535,0.0446100309491158,0.810129880905151,11.9998188018799,9.64176177978516
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%29,0.456547528505325,0.49455514550209,0.109662301838398,0.466217368841171,5.57931518554688,43.2131652832031,8.98590278625488,0.152370512485504,14.0089273452759,0.188832223415375,-0.295905470848083,20.4737396240234,5.91988849639893,1.36918663978577,1.41732001304626,0.244097948074341,1.69682800769806,11.994402885437,10.248104095459
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%2C1H3,0.530937075614929,0.38646212220192,0.310205578804016,0.206099018454552,4.75988578796387,157.435974121094,16.8425922393799,0.059670589864254,15.9997510910034,0.427156656980515,-0.361301243305206,78.0994491577148,8.64315891265869,1.00500738620758,1.12349820137024,0.134879559278488,7.19442510604858,11.9966630935669,10.3780612945557
InChI%3D1S%2FC12H10Cl2N2%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%2Fh1-6H%2C15-16H2,0.496960997581482,0.302581906318665,0.136612713336945,0.538832366466522,6.11198806762695,37.3279151916504,13.1272668838501,0.000728258048184216,34.970157623291,0.166093170642853,-0.301806002855301,23.9726657867432,10.9373579025269,0.00956003833562136,1.33837532997131,0.3748839199543,2.18034934997559,11.9985237121582,10.3384552001953
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%29,0.505952417850494,0.305124133825302,0.282760590314865,0.488766133785248,4.72460412979126,109.195175170898,15.8957777023315,0.0624799281358719,16.0060291290283,0.216037333011627,-0.36407682299614,54.184642791748,11.4685297012329,0.993167042732239,1.29984271526337,0.291112065315247,3.43408131599426,11.9884796142578,9.48136520385742
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,,,0.268666207790375,,4.66960048675537,,,,34.9688529968262,,-0.363529711961746,,,,,,,11.9989995956421,12.252366065979
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,0.495234131813049,0.278969526290894,0.111129604279995,0.476970613002777,5.52943229675293,11.6173505783081,5.24591398239136,0.00166071439161897,34.9688529968262,0.353258341550827,-0.302465289831161,6.31680250167847,3.38403940200806,0.00871196575462818,1.25117433071136,0.23381070792675,1.85316288471222,11.8500003814697,8.33563137054443
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%29,0.446843236684799,0.324371248483658,0.278198599815369,0.573916673660278,3.38434267044067,40.6150894165039,11.2907094955444,0.0520688705146313,15.9979305267334,0.141006603837013,-0.330374330282211,20.7970294952393,9.11075019836426,0.58789449930191,1.34513115882874,0.35519340634346,1.59206461906433,11.9944725036621,8.48798274993896
InChI%3D1S%2FC4H10N2O%2Fc1-2-3-6%285%294-7%2Fh4H%2C2-3%2C5H2%2C1H3,0.473185479640961,0.489794731140137,0.280901163816452,0.574243426322937,3.55987143516541,14.592658996582,5.39863777160645,0.114524766802788,16.0059261322021,0.190252259373665,-0.36141037940979,6.81057167053223,3.75325703620911,0.618277728557587,1.53722357749939,0.271417230367661,1.0271030664444,11.988787651062,6.94813776016235
InChI%3D1S%2FC12H11N3%2Fc1-7-12-8-4-2-3-5-9%288%2915-10%2812%296-11%2813%2914-7%2Fh2-6%2C15H%2C1H3%2C%28H2%2C13%2C14%29,0.515999555587769,0.325287699699402,0.0990799516439438,0.460353046655655,5.6653847694397,46.7051734924316,8.63502311706543,0.135386794805527,14.0050926208496,0.358363717794418,-0.293199598789215,22.2556495666504,4.37147617340088,1.16906809806824,1.3016402721405,0.129687115550041,3.09447908401489,11.8999996185303,10.7663288116455
InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3,0.466667264699936,0.337282091379166,0.0826524198055267,0.478702872991562,4.57643604278564,9.58509635925293,3.64448189735413,0.224292248487473,15.9979419708252,0.379644095897675,-0.415690958499908,4.30807685852051,1.44344675540924,0.817429065704346,1.28265225887299,0.0470477379858494,1.38360607624054,11.9964618682861,6.86031246185303
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,0.666666686534882,0.762228667736053,0.246189966797829,0.783337414264679,6.75458335876465,5.46610021591187,3.10321760177612,1.52579782142226e-10,34.9720077514648,0.431940317153931,-0.140288695693016,2.36288285255432,1.76281273365021,4.73488248609044e-10,2.21223258972168,0.176044747233391,1.34040486812592,11.998706817627,9.79723739624023
InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,0.438623189926147,0.413528382778168,0.150100141763687,0.470818251371384,5.6944317817688,12.3705520629883,5.35391902923584,1.15544263046274e-09,34.9710578918457,0.427786469459534,-0.356718212366104,7.01663303375244,3.06358480453491,6.18614626191061e-09,1.32296979427338,0.17916014790535,2.29033398628235,11.9985628128052,9.41702556610107
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,0.520140469074249,0.170015797019005,0.248806267976761,0.513671875,3.49059367179871,11.6885690689087,5.26889085769653,4.43695398644195e-07,15.9959182739258,0.3630530834198,-0.132697328925133,6.41966390609741,3.35600113868713,2.33778246183647e-06,1.20382821559906,0.227709844708443,1.91288709640503,11.8500003814697,7.38454151153564
InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2,0.49421289563179,0.412568718194962,0.110591277480125,0.61179506778717,5.28791189193726,10.3849353790283,4.81549835205078,0.0813966244459152,34.9701538085938,0.155772283673286,-0.212266653776169,4.48937511444092,3.67341160774231,0.391965299844742,1.51857674121857,0.322123318910599,0.750121116638184,11.9985990524292,7.25531339645386
InChI%3D1S%2FC8H10N2O%2Fc1-7%2811%299-10-8-5-3-2-4-6-8%2Fh2-6%2C10H%2C1H3%2C%28H%2C9%2C11%29,0.43487685918808,0.252486079931259,0.151159688830376,0.597582757472992,4.56401824951172,31.1319408416748,8.71586513519287,0.0749068483710289,15.9949178695679,0.18442939221859,-0.347358137369156,15.6411552429199,6.45552539825439,0.652877926826477,1.28494572639465,0.305497825145721,1.60746157169342,11.8500003814697,8.34313201904297
InChI%3D1S%2FC16H15NO2%2Fc17-15-11-5-4-10-14%2815%2916%2818%2919-12-6-9-13-7-2-1-3-8-13%2Fh1-11H%2C12%2C17H2,0.485837489366531,0.388591915369034,0.295127302408218,0.618618488311768,4.8484673500061,114.173316955566,21.3245162963867,0.0353453494608402,15.9959239959717,0.114015147089958,-0.307794183492661,59.6075019836426,18.139476776123,0.753722488880157,1.49304783344269,0.387979626655579,2.4313178062439,11.8500003814697,9.11202049255371
InChI%3D1S%2FC6H6Cl2N2%2Fc7-4-1-3%289%292-5%288%296%284%2910%2Fh1-2H%2C9-10H2,0.409173578023911,0.37796750664711,0.139045834541321,0.536423742771149,5.96430492401123,15.980263710022,6.57504844665527,0.00154682225547731,34.9701538085938,0.311102896928787,-0.30263414978981,9.31119632720947,4.51936101913452,0.0101704308763146,1.32356488704681,0.265512704849243,2.04551649093628,11.9985628128052,9.51022052764893
InChI%3D1S%2FC6H8N4O3S%2Fc1-2-7-5%2811%299-6-8-3-4%2814-6%2910%2812%2913%2Fh3H%2C2H2%2C1H3%2C%28H2%2C7%2C8%2C9%2C11%29,0.510657250881195,0.309320777654648,0.228400766849518,0.476131021976471,3.9799542427063,40.4074401855469,10.0596103668213,0.0533802472054958,31.9720726013184,0.224751025438309,-0.335782408714294,21.5315780639648,7.26171827316284,0.536984503269196,1.29610908031464,0.291401535272598,2.26090788841248,11.9989995956421,10.1447868347168
InChI%3D1S%2FC6H6ClN%2Fc7-4-6-2-1-3-8-5-6%2Fh1-3%2C5H%2C4H2,0.472223252058029,0.130828961730003,0.117882013320923,0.553927481174469,5.51820087432861,12.6592044830322,5.19482088088989,0.0442223772406578,34.9693794250488,0.283414274454117,-0.263703584671021,6.28303050994873,3.49280738830566,0.229727327823639,1.15697968006134,0.254272520542145,1.47228646278381,11.9985628128052,8.31212997436523
InChI%3D1S%2FC17H22N2O%2Fc1-17%2820-14-13-19%282%293%2C15-9-5-4-6-10-15%2916-11-7-8-12-18-16%2Fh4-12H%2C13-14H2%2C1-3H3,0.424374163150787,0.370372384786606,0.132808655500412,0.400511801242828,5.64162874221802,143.630340576172,14.5499591827393,0.118646875023842,15.9949197769165,0.346308767795563,-0.362327843904495,61.3638153076172,7.78487348556519,1.72630715370178,1.19525837898254,0.151283264160156,5.03877830505371,11.9883184432983,11.7221927642822
InChI%3D1S%2FC14H14ClN3O2S%2Fc1-8-4-3-5-10%289%288%292%2916-12-6-11%2815%2917-14%2818-12%2921-7-13%2819%2920%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C16%2C17%2C18%29,0.466344773769379,0.411261439323425,0.269032299518585,0.549232065677643,4.30402994155884,127.498443603516,13.8940696716309,0.141323119401932,34.9688529968262,0.265922337770462,-0.330977261066437,53.8552742004395,8.23577308654785,1.96355330944061,1.42683827877045,0.194565907120705,3.69474339485168,11.8900003433228,11.4962892532349
InChI%3D1S%2FC10H17Cl2NOS%2Fc1-7%282%2913%288%283%294%2910%2814%2915-6-9%2812%295-11%2Fh5%2C7-8H%2C6H2%2C1-4H3,0.488067865371704,0.493011206388474,0.262023746967316,0.436058938503265,6.16656970977783,74.5407943725586,11.9074506759644,0.132783934473991,34.970157623291,0.185644567012787,-0.267473816871643,34.2675132751465,8.11577892303467,1.58111810684204,1.41713798046112,0.261178612709045,2.21055340766907,11.9985313415527,10.958890914917
InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29,0.485329538583755,0.335337728261948,0.159928798675537,0.465755730867386,4.82612133026123,7.99413061141968,3.74318742752075,0.0637283846735954,14.1031160354614,0.318571895360947,-0.319627285003662,3.59322094917297,2.3121657371521,0.238547280430794,1.28642296791077,0.213274791836739,1.19247436523438,11.9989995956421,6.59975957870483
InChI%3D1S%2FC3H4O2%2Fc4-3-1-2-5-3%2Fh1-2H2,0.519117474555969,0.44437164068222,0.263769000768661,0.410872399806976,3.26224732398987,4.92744493484497,2.57296586036682,0.137933522462845,15.9977836608887,0.325882494449615,-0.339681208133698,1.94394731521606,1.37958300113678,0.35489821434021,1.37436151504517,0.152137994766235,0.838484525680542,11.9970207214355,5.23300647735596
InChI%3D1S%2FC13H14Cl2O3%2Fc1-12%282%2C11%2816%2917%2918-9-5-3-8%284-6-9%2910-7-13%2810%2C14%2915%2Fh3-6%2C10H%2C7H2%2C1-2H3%2C%28H%2C16%2C17%29,0.475105673074722,0.330420225858688,0.361884593963623,0.598337531089783,4.24156522750854,68.0179977416992,14.1154308319092,0.0710451379418373,34.9698524475098,0.127407714724541,-0.333471715450287,33.4973373413086,11.3141832351685,1.0028327703476,1.40386343002319,0.3511603474617,1.79841470718384,11.9885129928589,10.2970247268677
InChI%3D1S%2FC9H8O4%2Fc10-7-3-1-6%285-8%287%2911%292-4-9%2812%2913%2Fh1-5%2C10-11H%2C%28H%2C12%2C13%29,0.568796634674072,0.315349638462067,0.283392518758774,0.604943990707397,3.89729380607605,35.7566680908203,8.68541812896729,0.095844991505146,15.9979238510132,0.215796753764153,-0.358746975660324,17.7429809570312,5.97867965698242,0.832453846931458,1.48909020423889,0.266268700361252,1.87428510189056,11.8500003814697,8.88825702667236
InChI%3D1S%2FC9H8O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-4H%2C5-6H2,0.522722363471985,0.129105433821678,0.266850382089615,0.570054054260254,4.12385606765747,19.4072151184082,6.76997232437134,0.0332370921969414,15.9977855682373,0.296813607215881,-0.303208827972412,10.5865087509155,4.53553819656372,0.225014179944992,1.22188186645508,0.252461969852448,2.0094199180603,11.9967565536499,8.57438373565674
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3,0.566699981689453,0.394258171319962,0.039202619343996,0.540389835834503,4.54363441467285,6.87096118927002,3.32795691490173,0.152767032384872,14.0092763900757,0.193015590310097,-0.30096098780632,2.83199167251587,2.17720723152161,0.508402109146118,1.50134801864624,0.240663021802902,0.642347574234009,11.9938325881958,5.2450270652771
InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,0.499420046806335,0.326077342033386,0.105317510664463,0.595789313316345,5.69485330581665,61.6464347839355,14.3224172592163,0.0537110604345798,31.9720726013184,0.123573496937752,-0.30344232916832,31.2809371948242,11.7832746505737,0.769272267818451,1.42128670215607,0.367036581039429,1.7698712348938,11.8500003814697,10.9992933273315
InChI%3D1S%2FC6H11N2O4PS3%2Fc1-10-5-7-8%286%289%2916-5%294-15-13%2814%2C11-2%2912-3%2Fh4H2%2C1-3H3,0.396410703659058,0.361441403627396,0.309434205293655,0.548918306827545,5.21768760681152,96.180305480957,15.8056497573853,0.0822883099317551,31.9742698669434,0.137099012732506,-0.355085611343384,45.6014213562012,12.3380908966064,1.30062007904053,1.30677044391632,0.335459500551224,2.16693902015686,11.9985847473145,11.3674831390381
InChI%3D1S%2FC12H9NO2%2Fc14-13%2815%2911-7-6-9-5-4-8-2-1-3-10%2811%2912%288%299%2Fh1-3%2C6-7H%2C4-5H2,0.492005884647369,0.320906192064285,0.162112727761269,0.493290424346924,3.88489055633545,33.8962364196777,8.54248905181885,0.0437401346862316,15.995922088623,0.399839133024216,-0.156266584992409,19.2874755859375,4.75321769714355,0.373649597167969,1.3062025308609,0.167315542697906,3.41562128067017,11.8500003814697,10.2320804595947
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,0.496343612670898,0.473623663187027,0.312512814998627,0.504581034183502,4.31948900222778,10.2541532516479,4.77246284484863,2.81126188994563e-09,15.9959182739258,0.403429180383682,-0.344640821218491,5.48168992996216,2.84711217880249,1.34166429077709e-08,1.47454833984375,0.197428122162819,1.92535078525543,11.9886379241943,6.41464805603027
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,0.564611792564392,0.358141154050827,0.174878552556038,0.415079712867737,6.56010770797729,9.47947788238525,4.20968723297119,0.0656647533178329,31.972677230835,0.284566789865494,-0.266930758953094,4.36400699615479,2.73532176017761,0.276428073644638,1.33783268928528,0.237326338887215,1.19793713092804,11.9985771179199,8.60701370239258
InChI%3D1S%2FC2HCl3O2%2Fc3-2%284%2C5%291%286%297%2Fh%28H%2C6%2C7%29,0.552836298942566,0.249999523162842,0.3779536485672,0.618196785449982,4.55999565124512,7.5475001335144,3.42044401168823,0.148811712861061,34.9710578918457,0.248667925596237,-0.326948195695877,3.23482751846313,2.06088709831238,0.509002149105072,1.42103254795074,0.201890274882317,0.850554704666138,11.998706817627,10.1373453140259
InChI%3D1S%2FC15H11NO2%2Fc1-8-6-7-11-12%2813%288%2916%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C16H2%2C1H3,0.516142010688782,0.282237976789474,0.19644983112812,0.549610257148743,5.59734344482422,48.3023948669434,12.7824401855469,0.0158297754824162,15.9959230422974,0.219509214162827,-0.33505579829216,29.9706611633301,9.7742338180542,0.20234315097332,1.34799027442932,0.323495775461197,2.80586338043213,11.9933423995972,10.663480758667
InChI%3D1S%2FC16H17NO2%2Fc1-18-15-9-10-16%2819-2%2913%2811-15%296-3-12-4-7-14%2817%298-5-12%2Fh3-11H%2C17H2%2C1-2H3,0.386647462844849,0.443876296281815,0.102096647024155,0.484774857759476,4.87375020980835,111.336479187012,14.0968065261841,0.112113133072853,15.9959239959717,0.229394227266312,-0.349384069442749,49.7988586425781,9.28264331817627,1.58043718338013,1.31529855728149,0.243869483470917,3.23372602462769,11.8500003814697,9.92890167236328
InChI%3D1S%2FC9H13N%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5H%2C10H2%2C1-3H3,0.490345537662506,0.279978841543198,0.106902748346329,0.49818617105484,6.11449337005615,28.0930595397949,8.03574275970459,0.0264298282563686,14.0030784606934,0.442260563373566,-0.302037864923477,16.8347759246826,4.2694673538208,0.212383285164833,1.26851058006287,0.148482203483582,3.55389213562012,11.8500003814697,8.74811363220215
InChI%3D1S%2FC18H14N4O5S%2Fc23-16-9-6-13%2811-15%2816%2918%2824%2925%2921-20-12-4-7-14%288-5-12%2928%2826%2C27%2922-17-3-1-2-10-19-17%2Fh1-11%2C20H%2C%28H%2C19%2C22%29%28H%2C24%2C25%29,0.581390976905823,0.538623690605164,0.294418752193451,0.601848602294922,4.3900671005249,186.670944213867,17.5633964538574,0.106689266860485,31.9720726013184,0.241947010159492,-0.327805608510971,78.0134735107422,11.4401597976685,1.8738260269165,1.72186326980591,0.238522782921791,4.24941158294678,11.9883060455322,11.6217594146729
InChI%3D1S%2FC3H10N2%2Fc1-2-3-5-4%2Fh5H%2C2-4H2%2C1H3,0.524710953235626,0.529223263263702,0.00988201703876257,0.31148162484169,4.43042087554932,712.133056640625,126.671615600586,0.0034081491176039,14.1130771636963,0.0237579550594091,-0.375580102205276,425.356689453125,123.230445861816,0.431715756654739,1.3654158115387,0.479625433683395,3.00945854187012,11.9989995956421,6.13325881958008
InChI%3D1S%2FC34H27N9O7S2%2Fc35-22-10-15-27%2826%2836%2918-22%2941-38-24-11-6-19%287-12-24%2920-8-13-25%2814-9-20%2940-42-32-28%2851%2845%2C46%2947%2916-21-17-29%2852%2848%2C49%2950%2933%2834%2844%2930%2821%2931%2832%2937%2943-39-23-4-2-1-3-5-23%2Fh1-18%2C39H%2C35-37H2%2C%28H%2C45%2C46%2C47%29%28H%2C48%2C49%2C50%29,0.344006508588791,0.242981553077698,0.298490583896637,0.556726813316345,5.68001699447632,1106.62890625,73.8318939208984,0.0150878336280584,31.9730758666992,0.092559278011322,-0.303004264831543,531.24560546875,65.8841018676758,1.11396324634552,1.14371490478516,0.419264674186707,6.83382654190063,11.8500003814697,12.9514112472534
InChI%3D1S%2FC20H26O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C16-18%2C22H%2C4-12H2%2C2H3,0.493253976106644,0.278402090072632,0.136612713336945,0.545429706573486,6.11198806762695,38.904670715332,13.596981048584,0.000739321403671056,34.970157623291,0.160756289958954,-0.301806002855301,25.0571727752686,11.4011287689209,0.0100525394082069,1.31708574295044,0.3788782954216,2.18580031394958,11.9985237121582,10.3384552001953
InChI%3D1S%2FC19H17N3%2Fc20-16-7-1-13%282-8-16%2919%2814-3-9-17%2821%2910-4-14%2915-5-11-18%2822%2912-6-15%2Fh1-12%2C20H%2C21-22H2,0.396973937749863,0.358090221881866,0.102252848446369,0.471413016319275,5.68897008895874,167.968978881836,16.5144481658936,0.0781489238142967,14.0051031112671,0.422692805528641,-0.303442746400833,77.1905364990234,8.24332332611084,1.29058635234833,1.22647714614868,0.124368697404861,6.9805383682251,11.8500003814697,12.5848503112793
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,0.464689671993256,0.348887145519257,0.146525427699089,0.410210639238358,7.54407739639282,17.9416198730469,5.2153172492981,0.173174008727074,34.9739570617676,0.396150320768356,-0.204267740249634,8.53513336181641,2.24611020088196,0.903157353401184,1.22378742694855,0.0730067640542984,2.06604957580566,11.9985628128052,11.6940746307373
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,0.523446261882782,0.58770215511322,0.0882962495088577,0.523455679416656,6.09337520599365,8.17278575897217,4.05732154846191,1.68189420723941e-10,12.1500539779663,0.499992787837982,-0.211758151650429,4.11546468734741,2.02869009971619,6.82398582085852e-10,1.63460409641266,0.125005409121513,2.02863144874573,11.8500003814697,6.39342927932739
InChI%3D1S%2FC12H15N3O6%2Fc1-6-9%2813%2816%2917%297%282%2911%2815%2820%2921%298%2812%283%2C4%295%2910%286%2914%2818%2919%2Fh1-5H3,0.514475226402283,0.411715090274811,0.171808674931526,0.567709624767303,4.04108572006226,65.1381301879883,10.816180229187,0.0869796052575111,15.9999418258667,0.356153905391693,-0.154177993535995,32.4932403564453,6.02316808700562,0.940787076950073,1.4938999414444,0.167649865150452,3.85222506523132,11.8900003433228,11.2567577362061
InChI%3D1S%2FC5H14N2%2Fc1-2-3-4-5-7-6%2Fh7H%2C2-6H2%2C1H3,0.450751632452011,0.441301226615906,0.0101735107600689,0.565976440906525,4.54934692382812,20.338888168335,7.02281188964844,0.0946284085512161,14.1130790710449,0.145778313279152,-0.375575453042984,9.68672657012939,5.33448076248169,0.66455751657486,1.45802927017212,0.319694966077805,1.02377378940582,11.9989995956421,6.8876428604126
InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2,0.799133241176605,0.500000059604645,0.0982715487480164,0.407041698694229,6.54528713226318,5.06537866592407,2.6099739074707,0.153468176722527,78.91943359375,0.302652031183243,-0.192232117056847,2.00627326965332,1.41951215267181,0.400547921657562,1.70617508888245,0.157909855246544,0.789913892745972,11.9989070892334,8.54524803161621
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3,0.522753715515137,0.333332747220993,0.0883190557360649,0.548615276813507,5.41268491744995,8.47954654693604,3.75107359886169,0.0698222741484642,34.9693794250488,0.426768273115158,-0.192226141691208,3.93674826622009,1.88832592964172,0.261908501386642,1.40470170974731,0.127557083964348,1.6008392572403,11.9985990524292,7.406005859375
InChI%3D1S%2FC10H12Cl2O2%2Fc11-7-13-5-9-1-2-10%284-3-9%296-14-8-12%2Fh1-4H%2C5-8H2,0.456486523151398,0.508957922458649,0.184729650616646,0.618952453136444,4.93975114822388,175.151626586914,17.7294025421143,0.0769114792346954,34.970157623291,0.284984946250916,-0.355424970388412,79.4775238037109,11.3131952285767,1.36359465122223,1.58439683914185,0.228577673435211,5.05261278152466,11.9985313415527,8.55247211456299
InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2,0.494576841592789,0.406052380800247,0.207053765654564,0.560462713241577,5.37238645553589,38.8109817504883,9.37021827697754,0.0928386524319649,15.996922492981,0.186269327998161,-0.38378033041954,19.1844921112061,6.75491571426392,0.869918465614319,1.46109187602997,0.290669023990631,1.74538421630859,11.8500003814697,9.04888343811035
InChI%3D1S%2FC24H31Cl2N5O7%2Fc1-2-14-21%2835%2930-16%2810-32%2922%2836%2929-15%2812-6-4-3-5-7-12%298-18%2834%2927-17%2811-33%2924%2838%2931-9-13%2825%2919%2826%2920%2831%2923%2837%2928-14%2Fh3-7%2C13-17%2C19-20%2C32-33H%2C2%2C8-11H2%2C1H3%2C%28H%2C27%2C34%29%28H%2C28%2C37%29%28H%2C29%2C36%29%28H%2C30%2C35%29,0.510656654834747,0.383150935173035,0.23073610663414,0.390586823225021,4.74484443664551,303.198303222656,19.5464115142822,0.142440855503082,34.969856262207,0.287565886974335,-0.394042313098907,109.293510437012,11.1413230895996,2.78420758247375,1.28439438343048,0.177494943141937,5.6208815574646,11.8500003814697,11.9616804122925
InChI%3D1S%2FC12H11N%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9H%2C13H2,0.468285113573074,0.392051875591278,0.0924354642629623,0.528379201889038,6.19622468948364,39.5835227966309,9.484543800354,0.0802208036184311,14.003080368042,0.208128571510315,-0.301978379487991,19.9613857269287,6.74968147277832,0.760857701301575,1.38871622085571,0.28373795747757,1.97400450706482,11.8500003814697,9.94457149505615
InChI%3D1S%2FC18H28O3S%2Fc1-3-4-5-6-7-8-11-22%2819%2915%282%2912-16-9-10-17-18%2813-16%2921-14-20-17%2Fh9-10%2C13%2C15H%2C3-8%2C11-12%2C14H2%2C1-2H3,0.529997408390045,0.457495450973511,0.206122294068336,0.43101292848587,5.14809465408325,333.521484375,20.009693145752,0.140648752450943,31.9720726013184,0.32467457652092,-0.316761136054993,117.89924621582,10.6987171173096,2.81433844566345,1.41850578784943,0.151007518172264,6.49663829803467,11.8500003814697,11.5755014419556
InChI%3D1S%2FC7H10N2%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C8-9H2%2C1H3,0.481038510799408,0.143591016530991,0.0511917434632778,0.536178410053253,5.62202215194702,18.746639251709,6.89271402359009,0.014116233214736,14.0092802047729,0.324738591909409,-0.336456805467606,10.8614482879639,4.55708456039429,0.0972991585731506,1.16080796718597,0.245858877897263,2.23833036422729,11.9935121536255,8.23973178863525
InChI%3D1S%2FC20H28O6%2Fc1-9-5-13-18%2824%2C15%289%2922%297-11%288-21%296-12-14-17%283%2C4%2920%2814%2C26%2916%2823%2910%282%2919%2812%2C13%2925%2Fh5-6%2C10%2C12-14%2C16%2C21%2C23-26H%2C7-8H2%2C1-4H3,0.395688205957413,0.391845732927322,0.269551128149033,0.506663739681244,4.98200368881226,141.884017944336,13.9384784698486,0.149666652083397,16.0066509246826,0.332367748022079,-0.391937434673309,58.1719818115234,7.21965217590332,2.08612537384033,1.29419767856598,0.138474211096764,4.63270044326782,11.9884157180786,13.2456035614014
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,0.538402676582336,0.544284999370575,0.115228086709976,0.54387366771698,6.89796876907349,17.2617797851562,6.830735206604,1.46705048109652e-08,12.1501121520996,0.337394207715988,-0.18704180419445,10.4310445785522,4.52608489990234,1.00210336029249e-07,1.62656128406525,0.246954336762428,2.30465054512024,11.8500003814697,8.88276863098145
InChI%3D1S%2FC15H9NO4%2Fc1-8-6-7-11-12%2813%288%2916%2819%2920%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C1H3,0.507135510444641,0.346931368112564,0.228846684098244,0.553902566432953,4.09287118911743,54.6776008605957,12.7697277069092,0.0284130647778511,15.9979314804077,0.225652575492859,-0.298709064722061,31.949146270752,9.52537822723389,0.362827092409134,1.40796947479248,0.309450775384903,2.88152194023132,11.8500003814697,10.7168750762939
InChI%3D1S%2FC4H6%2Fc1-3-4-2%2Fh3-4H%2C1-2H2,0.522187173366547,0.448107242584229,0.12646709382534,0.546173214912415,4.8872218132019,6.39305210113525,3.51806354522705,0.0151592334732413,12.2100191116333,0.302358984947205,-0.294572412967682,2.73878049850464,2.40101432800293,0.0533311441540718,1.51646769046783,0.261861324310303,1.06371819972992,11.789999961853,5.9972972869873
InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920-3%2921-15-10-6-13%287-11-15%2912-4-8-14%2818%299-5-12%2Fh4-11H%2C1-3H3,0.117921590805054,0.390176177024841,0.293601423501968,0.57431697845459,4.57387161254883,192.321853637695,19.9664993286133,0.0805912688374519,34.9688529968262,0.187627762556076,-0.329419136047363,84.2764434814453,14.6111030578613,1.60912537574768,1.08241474628448,0.298835724592209,3.7462694644928,11.8500003814697,9.79938983917236
InChI%3D1S%2FC27H44O6%2Fc1-15%2820%2828%298-9-24%282%2C3%2932%2916-7-11-27%2833%2918-12-21%2829%2919-13-22%2830%2923%2831%2914-25%2819%2C4%2917%2818%296-10-26%2816%2C27%295%2Fh12%2C15-17%2C19-20%2C22-23%2C28%2C30-33H%2C6-11%2C13-14H2%2C1-5H3,,,0.15943406522274,,5.33250570297241,,,,16.0008144378662,,-0.415720492601395,,,,,,,11.9961223602295,13.0450096130371
InChI%3D1S%2FC7H5N3O3S%2Fc8-7-9-4%283-14-7%295-1-2-6%2813-5%2910%2811%2912%2Fh1-3H%2C%28H2%2C8%2C9%29,,,0.277895539999008,,3.41176962852478,,,,31.9720726013184,,-0.333191871643066,,,,,,,11.9989995956421,9.9207592010498
InChI%3D1S%2FC14H19Cl2NO2%2Fc15-8-10-17%2811-9-16%2913-6-4-12%285-7-13%292-1-3-14%2818%2919%2Fh4-7H%2C1-3%2C8-11H2%2C%28H%2C18%2C19%29,0.478863716125488,0.500999808311462,0.258930623531342,0.600364983081818,3.77535319328308,90.7721252441406,17.4307823181152,0.0428705252707005,34.970157623291,0.140398323535919,-0.331600069999695,47.3067665100098,14.2362632751465,0.74726676940918,1.58022856712341,0.362548381090164,2.44725251197815,11.9985179901123,10.3081569671631
InChI%3D1S%2FC10H12N2O4%2Fc1-3-16-10-5-4-8%2811-7%282%2913%296-9%2810%2912%2814%2915%2Fh4-6H%2C3H2%2C1-2H3%2C%28H%2C11%2C13%29,0.333697021007538,0.347210496664047,0.191392838954926,0.504469811916351,3.77548861503601,53.7474365234375,13.9770250320435,0.0349164269864559,16.0169982910156,0.138039782643318,-0.368425965309143,28.8859519958496,11.5596113204956,0.488027781248093,1.18537735939026,0.370282828807831,1.92938554286957,11.9989995956421,8.71534633636475
InChI%3D1S%2FC12H11Cl2NO%2Fc1-4-12%282%2C3%2915-11%2816%298-5-9%2813%297-10%2814%296-8%2Fh1%2C5-7H%2C2-3H3%2C%28H%2C15%2C16%29,0.362252861261368,0.320134073495865,0.169000819325447,0.516916990280151,5.05009889602661,52.8684883117676,9.56016731262207,0.152699157595634,34.970157623291,0.225048720836639,-0.344522178173065,24.6240520477295,5.94883441925049,1.45982956886292,1.19930398464203,0.216689079999924,2.15150356292725,11.9985237121582,10.1191663742065
InChI%3D1S%2FC11H11N5%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29,0.536494731903076,0.449135571718216,0.112328507006168,0.550591945648193,5.40272903442383,62.7602653503418,13.2913026809692,0.0718239098787308,14.0094022750854,0.138171628117561,-0.313738375902176,31.0603904724121,10.5001878738403,0.954633355140686,1.53622221946716,0.3425033390522,1.83648097515106,11.994402885437,9.29199504852295
InChI%3D1S%2FC2H6N2O%2Fc1-4%283%292-5%2Fh2H%2C3H2%2C1H3,0.422030627727509,0.472605407238007,0.283414870500565,0.580017566680908,4.74211311340332,63.8481178283691,10.5936822891235,0.120625011622906,15.9983062744141,0.262004911899567,-0.357960015535355,30.0573616027832,6.54022264480591,1.27786302566528,1.47465360164642,0.213027566671371,2.77559661865234,11.996711730957,9.2446813583374
InChI%3D1S%2FC8H20N2%2Fc1-3-5-7-10%289%298-6-4-2%2Fh3-9H2%2C1-2H3,0.353635787963867,0.436134308576584,0.0502981953322887,0.508279800415039,5.15499305725098,44.7757720947266,10.3372087478638,0.0781966373324394,14.0040817260742,0.188743650913239,-0.268398106098175,22.4874153137207,7.57779121398926,0.808334946632385,1.29804992675781,0.299794793128967,1.95108234882355,11.8900003433228,8.05663394927979
InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29,0.3725506067276,0.252230882644653,0.304435521364212,0.609309792518616,4.07099580764771,6.38910913467407,3.16481924057007,0.16018009185791,34.9701538085938,0.191932216286659,-0.328706383705139,2.59289240837097,2.05044746398926,0.506941020488739,1.23409128189087,0.235915765166283,0.607430815696716,11.998706817627,8.18281364440918
InChI%3D1S%2FC43H58N4O12%2Fc1-21-12-11-13-22%282%2942%2855%2945-33-28%2820-44-47-17-15-46%289%2916-18-47%2937%2852%2930-31%2838%2833%2953%2936%2851%2926%286%2940-32%2830%2941%2854%2943%288%2C59-40%2957-19-14-29%2856-10%2923%283%2939%2858-27%287%2948%2925%285%2935%2850%2924%284%2934%2821%2949%2Fh11-14%2C19-21%2C23-25%2C29%2C34-35%2C39%2C44%2C49-51%2C53H%2C15-18H2%2C1-10H3%2C%28H%2C45%2C55%29,0.314919799566269,0.362549096345901,0.300965428352356,0.17564868927002,4.27695894241333,1646.5869140625,40.6492385864258,0.110666863620281,16.00905418396,0.247511327266693,-0.392637997865677,425.115814208984,26.0895671844482,4.4985237121582,0.85311758518219,0.231366351246834,10.061146736145,11.9882774353027,12.0744886398315
InChI%3D1S%2FC12H12N4%2Fc1-7-6-9-8%284-3-5-14-9%2910-11%287%2916%282%2912%2813%2915-10%2Fh3-6H%2C1-2H3%2C%28H2%2C13%2C15%29,0.471265912055969,0.100075803697109,0.15652559697628,0.392625361680984,5.83775043487549,67.6470184326172,12.9319877624512,0.0458338186144829,14.0089292526245,0.254261344671249,-0.278252393007278,37.0749244689941,9.05116081237793,0.592722415924072,0.963967084884644,0.274928629398346,3.28810453414917,11.994384765625,10.481333732605
InChI%3D1S%2FC7H7Cl%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6H2,0.468856483697891,0.119831286370754,0.116603851318359,0.563321828842163,5.55999898910522,14.0574550628662,5.47682905197144,0.0396863333880901,34.9693794250488,0.31623438000679,-0.210813507437706,7.25269031524658,3.52751231193542,0.217355266213417,1.15200960636139,0.233059465885162,1.73196160793304,11.9985513687134,8.47887992858887
InChI%3D1S%2FC7H9N%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5H%2C8H2%2C1H3,0.452304154634476,0.137001171708107,0.099439449608326,0.544404447078705,5.48577499389648,15.5201473236084,6.45843505859375,0.015503135509789,14.003077507019,0.249953776597977,-0.302466452121735,8.29491806030273,4.74399900436401,0.100125998258591,1.13370978832245,0.3009073138237,1.6143102645874,11.8500003814697,7.63714265823364
InChI%3D1S%2FC11H17F3N6O%2Fc12-11%2813%2C14%297-17-10%2816%2918-9-4-6-20%2819-9%295-2-1-3-8%2815%2921%2Fh4%2C6H%2C1-3%2C5%2C7H2%2C%28H2%2C15%2C21%29%28H3%2C16%2C17%2C18%2C19%29,0.412127763032913,0.401924192905426,0.422291845083237,0.588961064815521,3.13346838951111,114.132606506348,13.9979791641235,0.114897198975086,19.001256942749,0.245282605290413,-0.348503947257996,50.6773529052734,8.95618915557861,1.60832858085632,1.40301299095154,0.229865148663521,3.43346071243286,11.9974336624146,8.80393695831299
InChI%3D1S%2FC2H2Cl4%2Fc3-1-2%284%2C5%296%2Fh1H2,0.701116681098938,0.419664859771729,0.313979119062424,0.706574320793152,6.0832462310791,6.80212163925171,3.0177264213562,0.233705684542656,34.9720077514648,0.292994409799576,-0.167204841971397,2.89375042915344,1.42828965187073,0.705259799957275,1.82735586166382,0.104974940419197,0.884176909923553,11.998706817627,10.7188091278076
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,0.434697031974792,0.249254256486893,0.087548516690731,0.497304528951645,5.25948715209961,6.56432390213013,3.40789270401001,0.0819505006074905,34.9701538085938,0.220146894454956,-0.1925930082798,2.65810132026672,2.37837719917297,0.279278516769409,1.18125581741333,0.273426949977875,0.750237047672272,11.9986352920532,7.11486625671387
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%29,0.493299037218094,0.482360631227493,0.315780818462372,0.122331500053406,5.71229553222656,1728.63562011719,65.2298202514648,0.039557907730341,31.9753131866455,0.116855420172215,-0.359703570604324,581.098937988281,55.0270042419434,2.58035516738892,1.09799110889435,0.382690012454987,7.62245798110962,11.9989995956421,12.9253206253052
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%2C1-4H3,0.481806337833405,0.534710764884949,0.0312850810587406,0.616795361042023,5.9936785697937,167.967681884766,19.8118305206299,0.104298248887062,14.0092868804932,0.11930987238884,-0.319627434015274,73.0267486572266,15.3817434310913,2.06633925437927,1.63331246376038,0.332293897867203,2.36374688148499,11.9933195114136,9.44680118560791
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%29,0.437986344099045,0.385003566741943,0.135506704449654,0.566081464290619,4.87099885940552,233.210006713867,29.3829669952393,0.0416103936731815,15.9969301223755,0.103228181600571,-0.357959032058716,110.64436340332,25.1271800994873,1.2226368188858,1.38907134532928,0.391371071338654,3.03315019607544,11.8900003433228,9.00277137756348
InChI%3D1S%2FC6H12N2O%2Fc9-7-8-5-3-1-2-4-6-8%2Fh1-6H2,0.491819202899933,0.444288522005081,0.0973032861948013,0.393137514591217,3.30462265014648,16.8168621063232,5.068039894104,0.167759627103806,15.9949169158936,0.378831207752228,-0.16299095749855,7.99785232543945,2.29789566993713,0.850212514400482,1.32924520969391,0.0900568813085556,1.91993165016174,11.8999996185303,7.42852210998535
InChI%3D1S%2FC2H3Cl3%2Fc3-1-2%284%295%2Fh2H%2C1H2,0.483167558908463,0.420221567153931,0.212212473154068,0.883493542671204,5.59424543380737,5.75068664550781,2.73202300071716,0.257617741823196,34.9710578918457,0.258661717176437,-0.177462980151176,2.3613760471344,1.32153570652008,0.703817546367645,1.78688263893127,0.112790413200855,0.706669807434082,11.998706817627,8.76401519775391
InChI%3D1S%2FC12H11N%2Fc13-12-8-6-11%287-9-12%2910-4-2-1-3-5-10%2Fh1-9H%2C13H2,0.550412178039551,0.552608489990234,0.0924028605222702,0.544295430183411,5.60444307327271,35.5199966430664,10.9755020141602,0.0308899004012346,14.003080368042,0.160541176795959,-0.302484452724457,19.2430629730225,8.87444972991943,0.339032173156738,1.6473160982132,0.356426686048508,1.76201999187469,11.8500003814697,9.53583335876465
InChI%3D1S%2FC8H20N2%2Fc1-3-5-7-9-10-8-6-4-2%2Fh9-10H%2C3-8H2%2C1-2H3,0.494731724262238,0.423966139554977,0.050284568220377,0.200531959533691,5.08076667785645,166.940628051758,21.5834865570068,0.030657734721899,14.0040817260742,0.229692727327347,-0.25824761390686,92.987678527832,15.9642152786255,0.661700785160065,1.11922979354858,0.304737150669098,4.95757007598877,11.8900003433228,7.03813600540161
InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3,0.481266021728516,0.330369263887405,0.0023641767911613,0.57969743013382,4.58894443511963,7.09121704101562,3.31853032112122,0.08326106518507,14.113076210022,0.419728100299835,-0.370959162712097,3.13792133331299,1.64934551715851,0.276304364204407,1.39133274555206,0.122758127748966,1.3928804397583,11.9989995956421,5.86555194854736
InChI%3D1S%2FC13H12Cl2N2%2Fc14-10-6-8%281-3-12%2810%2916%295-9-2-4-13%2817%2911%2815%297-9%2Fh1-4%2C6-7H%2C5%2C16-17H2,0.455370903015137,0.405432134866714,0.136348307132721,0.552887618541718,6.08218145370483,76.6309585571289,13.3189420700073,0.101364515721798,34.970157623291,0.151359841227531,-0.301806271076202,36.2234115600586,9.95292091369629,1.35006809234619,1.41369068622589,0.310456722974777,2.01595282554626,11.9985208511353,9.86156463623047
InChI%3D1S%2FC6H14O2%2Fc1-2-3-5-8-6-4-7%2Fh7H%2C2-6H2%2C1H3,0.48130339384079,0.407300293445587,0.0920869782567024,0.566226720809937,3.72817587852478,23.5140762329102,8.69234657287598,0.065176747739315,15.9982585906982,0.103894628584385,-0.41832822561264,11.1263380050659,7.22271966934204,0.566538870334625,1.45483040809631,0.373196482658386,0.903088092803955,11.9963550567627,6.4919810295105
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3,0.442522644996643,0.543794214725494,0.13202939927578,0.482839912176132,4.65437078475952,14.0052080154419,4.54573678970337,0.235134929418564,15.9949159622192,0.273287534713745,-0.378271877765656,6.49230432510376,2.23458218574524,1.06886148452759,1.46915674209595,0.118683159351349,1.24229311943054,11.8900003433228,7.49042320251465
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,0.806643664836884,0.400000005960464,0.185354650020599,0.400000005960464,4.95766448974609,2.74642729759216,1.69786155223846,0.188353389501572,34.9701538085938,0.335659831762314,-0.18513411283493,0.901275336742401,0.808159649372101,0.319797992706299,1.60664367675781,0.106990084052086,0.569903910160065,11.9994735717773,6.53172636032104
InChI%3D1S%2FC12H11N7%2Fc13-9-7%286-4-2-1-3-5-6%2916-8-10%2814%2918-12%2815%2919-11%288%2917-9%2Fh1-5H%2C%28H6%2C13%2C14%2C15%2C17%2C18%2C19%29,0.420457392930984,0.433112800121307,0.147718459367752,0.486605912446976,5.57485389709473,69.5806198120117,10.5386066436768,0.149628087878227,14.0106678009033,0.270721346139908,-0.314211636781693,31.5598125457764,6.10870933532715,1.57687163352966,1.34017610549927,0.184737920761108,2.85302591323853,11.994384765625,10.8326835632324
InChI%3D1S%2FC12H7Cl2NO3%2Fc13-8-1-6-12%2811%2814%297-8%2918-10-4-2-9%283-5-10%2915%2816%2917%2Fh1-7H,0.39756041765213,0.242174580693245,0.219878777861595,0.551459610462189,3.56416296958923,55.268871307373,12.5213108062744,0.0867939814925194,34.9698524475098,0.116293333470821,-0.358482837677002,26.9567451477051,9.97839164733887,1.08677434921265,1.19119453430176,0.347684502601624,1.45614492893219,11.8500003814697,9.72992134094238
InChI%3D1S%2FC3H5NO2%2Fc1-2-6-3%284%295%2Fh2H%2C1H2%2C%28H2%2C4%2C5%29,0.609258353710175,0.499304175376892,0.299426376819611,0.633412063121796,4.0085973739624,8.97641181945801,5.12789916992188,1.6151196177816e-05,15.9982585906982,0.178024441003799,-0.344972491264343,3.84819340705872,4.21492481231689,8.28217089292593e-05,1.74197459220886,0.36646956205368,0.912891387939453,11.9965486526489,5.55851697921753
InChI%3D1S%2FC9H8Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-2%2C5-6H%2C3-4H2,0.49626237154007,0.448939144611359,0.356682658195496,0.400932401418686,5.94171857833862,39.2200660705566,8.16178417205811,0.176541849970818,34.9710578918457,0.216618806123734,-0.27961865067482,18.4407958984375,4.95289182662964,1.44089651107788,1.34613394737244,0.205129504203796,1.76799595355988,11.9985370635986,13.2399339675903
InChI%3D1S%2FC10H8N4%2Fc11-8-5-4-7-10%2813-8%2914-6-2-1-3-9%2814%2912-7%2Fh1-6H%2C%28H2%2C11%2C13%29,0.523054122924805,0.434183746576309,0.109640255570412,0.573656499385834,5.55966711044312,38.6772804260254,8.90622425079346,0.0969168096780777,14.0089263916016,0.229233309626579,-0.296101897954941,19.195068359375,6.00145816802979,0.863162875175476,1.53089439868927,0.255387425422668,2.04160332679749,11.9944229125977,10.0911874771118
InChI%3D1S%2FC14H16N2O2%2Fc1-17-13-7-9%283-5-11%2813%2915%2910-4-6-12%2816%2914%288-10%2918-2%2Fh3-8H%2C15-16H2%2C1-2H3,0.466966211795807,0.37580931186676,0.253991484642029,0.351808577775955,3.37362122535706,100.417633056641,19.6596183776855,0.0506834574043751,15.9982604980469,0.0942109599709511,-0.355057150125504,49.7329521179199,16.8110504150391,0.996417462825775,1.19458413124084,0.391329199075699,1.85215163230896,11.9963998794556,7.70458602905273
InChI%3D1S%2FC8H16N2O%2Fc1-3-4-5-6-7-9-10%282%298-11%2Fh7-8H%2C3-6H2%2C1-2H3,0.465237528085709,0.398581266403198,0.286292612552643,0.583080410957336,3.599769115448,41.4609336853027,14.0265617370605,0.0347646810114384,16.0059261322021,0.0804455652832985,-0.360256940126419,20.60573387146,12.4105577468872,0.487628936767578,1.44689917564392,0.413592308759689,1.12837469577789,11.9886302947998,7.39358568191528
InChI%3D1S%2FC16H12N2O2%2Fc19-15-13-7-3-1-5-11%2813%299-17-16%2820%2914-8-4-2-6-12%2814%2910-18%2815%2917%2Fh1-8H%2C9-10H2,0.512449443340302,0.439130693674088,0.249410271644592,0.540975868701935,5.55814838409424,78.1038208007812,12.9684314727783,0.10892516374588,15.995924949646,0.165888622403145,-0.274272263050079,36.5557556152344,9.40452766418457,1.4125884771347,1.49255609512329,0.293889671564102,2.15131521224976,11.9943332672119,10.2324371337891
InChI%3D1S%2FC6H6O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4%2C7-8H,0.462286442518234,0.189125180244446,0.120624952018261,0.474775850772858,4.62259387969971,11.2116737365723,5.16391563415527,1.26664545518906e-09,15.9959173202515,0.347672641277313,-0.361396819353104,6.04775810241699,3.36856341362,6.54085008378047e-09,1.12618744373322,0.239245519042015,1.79535222053528,11.8500003814697,6.77386045455933
InChI%3D1S%2FC10H9N%2Fc11-10-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7H%2C11H2,0.553400218486786,0.123407065868378,0.125789299607277,0.543721497058868,6.06277465820312,20.7752075195312,7.41389179229736,0.000890120514668524,14.0030794143677,0.404960483312607,-0.301971137523651,13.2740392684937,4.4049596786499,0.00659925723448396,1.22052884101868,0.19561205804348,3.00233316421509,11.8500003814697,9.42484188079834
InChI%3D1S%2FC12H8Cl6%2Fc13-8-9%2814%2911%2816%297-5-2-1-4%283-5%296%287%2910%288%2C15%2912%2811%2C17%2918%2Fh1-2%2C4-7H%2C3H2,0.429523855447769,0.40214878320694,0.260111182928085,0.491667807102203,8.47373390197754,32.0832672119141,6.80662393569946,0.256413191556931,34.9739570617676,0.27718311548233,-0.166057482361794,14.8230781555176,3.17463445663452,1.74530816078186,1.32334041595459,0.0998027771711349,1.88668119907379,11.9985237121582,15.5414514541626
InChI%3D1S%2FC3H4O2%2Fc4-2-1-3-5%2Fh1-4H,0.411154180765152,0.414571613073349,0.228288814425468,0.549259543418884,3.27396249771118,5.71204471588135,3.56348252296448,2.66947997040745e-09,16.0060234069824,0.215745434165001,-0.381784737110138,2.14856219291687,2.79467725753784,9.51264489401638e-09,1.37498533725739,0.338190913200378,0.768805027008057,11.9888439178467,5.54275465011597
InChI%3D1S%2FC9H4F3N3O4S%2Fc10-9%2811%2C12%297%2816%2914-8-13-4%283-20-8%295-1-2-6%2819-5%2915%2817%2918%2Fh1-3H%2C%28H%2C13%2C14%2C16%29,,,0.475094169378281,,3.3925347328186,,,,31.9720726013184,,-0.341592609882355,,,,,,,11.9974594116211,10.1799783706665
InChI%3D1S%2FC8H9N3O2%2Fc1-6%2812%2910-11-8%2813%297-2-4-9-5-3-7%2Fh2-5H%2C1H3%2C%28H%2C10%2C12%29%28H%2C11%2C13%29,0.359408676624298,0.364120185375214,0.250635534524918,0.635278880596161,4.54146003723145,45.2873649597168,9.94420337677002,0.127083361148834,15.995922088623,0.150772958993912,-0.347376614809036,21.7366809844971,7.18114376068115,1.26374292373657,1.35880768299103,0.291607767343521,1.49931693077087,11.8500003814697,8.62838172912598
InChI%3D1S%2FC34H59NO15%2Fc1-5-6-9-20%283%2932%2850-31%2844%2917-23%2834%2847%2948%2915-29%2841%2942%2927%2849-30%2843%2916-22%2833%2845%2946%2914-28%2839%2940%2913-19%282%2912-24%2836%2910-7-8-11-25%2837%2918-26%2838%2921%284%2935%2Fh19-27%2C32%2C36-38H%2C5-18%2C35H2%2C1-4H3%2C%28H%2C39%2C40%29%28H%2C41%2C42%29%28H%2C45%2C46%29%28H%2C47%2C48%29,0.493629992008209,0.333336114883423,0.283436745405197,0.124778486788273,3.94511389732361,2668.82080078125,48.7758598327637,0.0960442796349525,16.0093593597412,0.291269510984421,-0.39342188835144,631.115417480469,29.8842964172363,4.68464231491089,0.951744616031647,0.209514662623405,14.2069206237793,11.9961042404175,11.1920433044434
InChI%3D1S%2FC12H11N3%2Fc1-7-6-9-8-4-2-3-5-10%288%2914-12%289%2915-11%287%2913%2Fh2-6H%2C1H3%2C%28H3%2C13%2C14%2C15%29,0.529376745223999,0.409951001405716,0.110833071172237,0.447465807199478,5.82257175445557,43.1561470031738,8.62560367584229,0.147042647004128,14.0050926208496,0.246005609631538,-0.29286715388298,20.4405422210693,5.2353253364563,1.26833164691925,1.38679361343384,0.20521380007267,2.12194681167603,11.8500003814697,10.4352607727051
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,0.432934492826462,0.342279940843582,0.0900528952479362,0.568751096725464,5.44758939743042,18.3389129638672,6.27086448669434,0.0708043053746223,12.1500825881958,0.243496358394623,-0.210048526525497,9.15285110473633,4.29992771148682,0.444004207849503,1.34396553039551,0.264274507761002,1.52693271636963,11.8500003814697,8.12963104248047
InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2,0.442869395017624,0.305362701416016,0.4540795981884,0.484250664710999,3.52768158912659,57.6297187805176,10.321216583252,0.0749012008309364,34.9710578918457,0.411911457777023,-0.282609671354294,29.9000091552734,5.29671764373779,0.773071467876434,1.23248279094696,0.134890496730804,4.25142765045166,11.9985628128052,6.59544563293457
InChI%3D1S%2FC2H5NS%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,0.564017474651337,0.2192362844944,0.109367303550243,0.666223466396332,5.37799692153931,6.36001062393188,3.33311676979065,0.0523788072168827,31.972677230835,0.287276655435562,-0.298427104949951,2.6589527130127,2.20100545883179,0.174584671854973,1.44947719573975,0.245258405804634,0.957526624202728,11.9986572265625,7.7129545211792
InChI%3D1S%2FC4H3FN2O2%2Fc5-2-1-6-4%289%297-3%282%298%2Fh1H%2C%28H2%2C6%2C7%2C8%2C9%29,0.508246541023254,0.4062539935112,0.121488086879253,0.633330404758453,5.04504251480103,27.469747543335,8.3121395111084,0.0822650045156479,14.0040798187256,0.157665312290192,-0.299343913793564,13.4959564208984,6.31780529022217,0.68379819393158,1.54783093929291,0.320052266120911,1.31053602695465,11.789999961853,6.87429809570312
InChI%3D1S%2FC24H34O9%2Fc1-12%282%297-18%2827%2932-16-9-23%2810-29-14%284%2925%2917%288-13%2816%293%2933-21-19%2828%2920%2831-15%285%2926%2922%2823%2C6%2924%2821%2911-30-24%2Fh8%2C12%2C16-17%2C19-21%2C28H%2C7%2C9-11H2%2C1-6H3,0.300974547863007,0.548141002655029,0.263158529996872,0.464746564626694,4.13779020309448,326.383056640625,19.5055541992188,0.153940826654434,16.0033874511719,0.323112398386002,-0.387696117162704,113.8408203125,10.200366973877,3.00270128250122,1.31386208534241,0.142210081219673,6.30248641967773,11.996636390686,13.7884788513184
InChI%3D1S%2FC4H8N2O%2Fc7-5-6-3-1-2-4-6%2Fh1-4H2,0.586648046970367,0.417366832494736,0.0977471917867661,0.413945019245148,3.12324786186218,10.5879726409912,4.12564039230347,0.111397512257099,15.9949169158936,0.372879594564438,-0.162973523139954,4.95803165435791,2.12768721580505,0.459586054086685,1.41795992851257,0.136792168021202,1.53836715221405,11.8999996185303,6.7030177116394
InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29,0.367802113294601,0.572534441947937,0.295259267091751,0.604347229003906,4.083909034729,31.3991317749023,7.96854066848755,0.108524732291698,31.9720706939697,0.216204792261124,-0.349697142839432,15.4136590957642,5.38091993331909,0.864783704280853,1.54468381404877,0.256452858448029,1.72283661365509,11.9963550567627,9.13381862640381
InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3,0.437115848064423,0.344836950302124,0.173324480652809,0.645217478275299,2.82572150230408,6.92853164672852,3.29497289657593,0.0883395969867706,16.0168151855469,0.351259112358093,-0.275394976139069,3.01149106025696,1.84650695323944,0.291076570749283,1.42717027664185,0.170300960540771,1.15738928318024,11.9989995956421,5.63900327682495
InChI%3D1S%2FC4H4N2OS%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,0.48434254527092,0.354787170886993,0.22392526268959,0.449119031429291,4.76155948638916,11.7038335800171,5.26193475723267,2.64411603723147e-09,31.972677230835,0.368321001529694,-0.344622194766998,6.44189834594727,3.3238537311554,1.39131666188064e-08,1.28824877738953,0.22375924885273,1.93808114528656,11.9985370635986,8.70703887939453
InChI%3D1S%2FC12H12N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29,0.461907297372818,0.312915295362473,0.371319651603699,0.426647067070007,4.33389711380005,54.0722427368164,8.93801975250244,0.195323973894119,15.9969263076782,0.286750197410583,-0.34783923625946,24.4208507537842,4.62923145294189,1.74580943584442,1.2014696598053,0.138444378972054,2.56297898292542,11.8500003814697,11.9949417114258
InChI%3D1S%2FC7H6N4O3S%2Fc8-10-7-9-4%283-15-7%295-1-2-6%2814-5%2911%2812%2913%2Fh1-3H%2C8H2%2C%28H%2C9%2C10%29,,,0.277917504310608,,3.40932416915894,,,,31.9720726013184,,-0.332738518714905,,,,,,,11.9989995956421,9.82960891723633
InChI%3D1S%2FC4H7NO2%2Fc1-2-4%287%295-3-6%2Fh2%2C6H%2C1%2C3H2%2C%28H%2C5%2C7%29,0.428316473960876,0.443953394889832,0.162171170115471,0.616348087787628,3.7968921661377,14.1494512557983,5.51915454864502,0.0798815563321114,15.9982585906982,0.203088775277138,-0.396621942520142,6.67466449737549,3.9573974609375,0.440878659486771,1.48861789703369,0.287772238254547,1.12087833881378,11.9964609146118,6.71138143539429
InChI%3D1S%2FC10H9Cl4O4P%2Fc1-16-19%2815%2C17-2%2918-10%285-11%296-3-8%2813%299%2814%294-7%286%2912%2Fh3-5H%2C1-2H3,0.406306207180023,0.444015502929688,0.458425849676132,0.482240945100784,3.51548457145691,72.6333084106445,11.2712783813477,0.106268882751465,34.9720077514648,0.294768929481506,-0.287458896636963,34.4957962036133,6.75107002258301,1.19778621196747,1.33256268501282,0.199221640825272,3.32242274284363,11.9985313415527,11.0784463882446
InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,0.464656561613083,0.390700399875641,0.343333184719086,0.597678124904633,5.02549982070923,8.5283899307251,3.51435518264771,0.187666058540344,34.9710578918457,0.295702964067459,-0.36408331990242,3.76963877677917,1.81562471389771,0.659525156021118,1.45303511619568,0.137473240494728,1.03920519351959,11.998706817627,10.2115564346313
InChI%3D1S%2FC7H8ClN%2Fc1-5-4-6%288%292-3-7%285%299%2Fh2-4H%2C9H2%2C1H3,0.562833070755005,0.141963854432106,0.0730936080217361,0.545258760452271,5.83869504928589,16.1536884307861,6.04997158050537,0.0169720239937305,34.9688529968262,0.411642223596573,-0.336609929800034,9.21973514556885,3.45686769485474,0.102680265903473,1.25005567073822,0.17853932082653,2.49042391777039,11.9935121536255,8.65001678466797
InChI%3D1S%2FC42H50Cl4N2O4%2Fc1-42-17-16-36-35-13-11-34%2851-40%2849%2926-29-2-7-32%288-3-29%2947%2822-18-43%2923-19-44%2928-31%2835%296-12-37%2836%2938%2842%2914-15-39%2842%2952-41%2850%2927-30-4-9-33%2810-5-30%2948%2824-20-45%2925-21-46%2Fh2-5%2C7-11%2C13%2C28%2C36-39H%2C6%2C12%2C14-27H2%2C1H3,0.521952390670776,0.49975910782814,0.271376609802246,0.565851628780365,4.83483362197876,1082.06127929688,37.1418151855469,0.0629125237464905,34.9720153808594,0.367579609155655,-0.311660349369049,370.115478515625,21.1525554656982,2.33668541908264,1.5875631570816,0.177130907773972,13.6525735855103,11.9984951019287,11.9044675827026
InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29,0.442008435726166,0.380357980728149,0.233517661690712,0.445632249116898,3.2210738658905,14.3238401412964,4.99741125106812,0.11352426558733,16.0169315338135,0.293568402528763,-0.394356518983841,6.86027526855469,2.96300196647644,0.567327439785004,1.26799869537354,0.194680511951447,1.46708202362061,11.9989995956421,7.19338083267212
InChI%3D1S%2FC12H10FN%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C14H2,0.550992786884308,0.553588271141052,0.123359344899654,0.535952866077423,4.04070329666138,36.0531578063965,11.0775260925293,0.0310270730406046,18.998405456543,0.159477099776268,-0.302491635084152,19.5308303833008,8.96721076965332,0.343703210353851,1.64053392410278,0.357121855020523,1.76661169528961,11.8500003814697,9.53014469146729
InChI%3D1S%2FC23H36N2O2%2Fc1-21%282%2C3%2925-20%2827%2917-8-7-15-14-6-9-18-23%285%2C13-11-19%2826%2924-18%2916%2814%2910-12-22%2815%2C17%294%2Fh11%2C13-18H%2C6-10%2C12H2%2C1-5H3%2C%28H%2C24%2C26%29%28H%2C25%2C27%29,0.508633852005005,0.453200280666351,0.160063564777374,0.513400137424469,5.22136735916138,162.317413330078,18.0670280456543,0.114969082176685,15.9959278106689,0.150499626994133,-0.348354429006577,69.2977447509766,13.2707977294922,2.0771496295929,1.47523427009583,0.300898462533951,2.71908092498779,11.8900003433228,12.4836111068726
InChI%3D1S%2FC8H6N4O4S%2Fc1-4%2813%299-8-11-10-7%2817-8%295-2-3-6%2816-5%2912%2814%2915%2Fh2-3H%2C1H3%2C%28H%2C9%2C11%2C13%29,0.452932268381119,0.0833497941493988,0.277969568967819,0.61749792098999,3.45917582511902,48.2304306030273,18.2342166900635,0.00360869779251516,31.9720726013184,0.0896313712000847,-0.372283726930618,28.2180824279785,16.5340576171875,0.065801776945591,1.15377998352051,0.430069953203201,1.63435792922974,11.9962921142578,10.5850076675415
InChI%3D1S%2FC6H13NO%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H2%2C7%2C8%29,0.437889665365219,0.39549595117569,0.156153500080109,0.5923872590065,4.4799633026123,23.2692775726318,7.26491212844849,0.0995467454195023,15.9979429244995,0.169601619243622,-0.372406810522079,11.2730979919434,5.30957317352295,0.723198354244232,1.42577290534973,0.298138737678528,1.23214089870453,11.9963550567627,7.10289907455444
InChI%3D1S%2FC33H40N2O9%2Fc1-38-19-7-8-20-21-9-10-35-16-18-13-27%2844-32%2836%2917-11-25%2839-2%2930%2841-4%2926%2812-17%2940-3%2931%2842-5%2928%2833%2837%2943-6%2922%2818%2915-24%2835%2929%2821%2934-23%2820%2914-19%2Fh7-8%2C11-12%2C14%2C18%2C22%2C24%2C27-28%2C31%2C34H%2C9-10%2C13%2C15-16H2%2C1-6H3,,,0.270629167556763,,4.85477447509766,,,,16.0029983520508,,-0.377639710903168,,,,,,,11.8500003814697,11.6698369979858
InChI%3D1S%2FC9H10N4S%2Fc10-7-3-1-6%282-4-7%298-5-14-9%2812-8%2913-11%2Fh1-5H%2C10-11H2%2C%28H%2C12%2C13%29,0.432226896286011,0.485488593578339,0.119251184165478,0.528168499469757,5.46138477325439,54.7805366516113,10.7952518463135,0.124625682830811,31.9720726013184,0.159915819764137,-0.302564024925232,26.0469665527344,7.72355461120605,1.34536552429199,1.44588398933411,0.28659388422966,1.72633147239685,11.8500003814697,10.5310735702515
InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2,0.571428596973419,0.207977369427681,0.0920329913496971,0.730319082736969,3.54168629646301,2.91568183898926,1.85840117931366,0.128890424966812,15.9974164962769,0.253036051988602,-0.397339552640915,0.927902340888977,1.14862847328186,0.239530131220818,1.50972497463226,0.213555127382278,0.470242500305176,11.997163772583,3.97737240791321
InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H,0.522722363471985,0.129105433821678,0.266850382089615,0.570054054260254,4.12385606765747,19.4072151184082,6.76997232437134,0.0332370921969414,15.9977855682373,0.296813607215881,-0.303208827972412,10.5865087509155,4.53553819656372,0.225014179944992,1.22188186645508,0.252461969852448,2.0094199180603,11.9967565536499,8.57438373565674
InChI%3D1S%2FC7H10N2%2Fc8-9-6-7-4-2-1-3-5-7%2Fh1-5%2C9H%2C6%2C8H2,0.461807608604431,0.345256686210632,0.0905170068144798,0.579878091812134,4.75879335403442,22.4486770629883,6.78470134735107,0.0935396179556847,14.0040807723999,0.231604307889938,-0.270762056112289,11.0978746414185,4.57869672775269,0.634638369083405,1.3869423866272,0.256142050027847,1.57136607170105,11.8500003814697,8.31838130950928
InChI%3D1S%2FC2H5N3O2%2Fc1-5%284-7%292%283%296%2Fh1H3%2C%28H2%2C3%2C6%29,0.493485391139984,0.418985486030579,0.25370928645134,0.592922210693359,3.05924677848816,8.31052303314209,3.76023888587952,0.0710146203637123,15.9982595443726,0.346895039081573,-0.355067610740662,3.78788471221924,2.18879866600037,0.267031937837601,1.50539302825928,0.186567768454552,1.30440819263458,11.9966869354248,6.44700574874878
InChI%3D1S%2FC10H5Cl7%2Fc11-4-2-1-3-5%284%299%2815%297%2813%296%2812%298%283%2C14%2910%289%2C16%2917%2Fh1-5H,0.439946472644806,0.33403292298317,0.260443121194839,0.438950747251511,7.45921230316162,29.1366996765137,6.4887375831604,0.24097703397274,34.9749450683594,0.304992228746414,-0.16647632420063,13.5314168930054,2.94608640670776,1.56363677978516,1.21293008327484,0.0905230492353439,1.97901463508606,11.9985313415527,15.644510269165
InChI%3D1S%2FC6H8N2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C7-8H2,0.58199268579483,0.139556854963303,0.0639757141470909,0.581547617912292,5.67403602600098,13.7203979492188,5.50406360626221,0.0134691195562482,14.0092792510986,0.43681538105011,-0.334188550710678,7.67704057693481,3.02566885948181,0.074134886264801,1.3030971288681,0.162286624312401,2.40425944328308,11.9935512542725,7.88406467437744
InChI%3D1S%2FC8H6N4O5%2Fc13-6-4-11%288%2814%2910-6%299-3-5-1-2-7%2817-5%2912%2815%2916%2Fh1-3H%2C4H2%2C%28H%2C10%2C13%2C14%29,0.41531902551651,0.48066970705986,0.34438556432724,0.428149223327637,3.3716356754303,70.9721145629883,10.9423542022705,0.109222732484341,15.9989347457886,0.325800955295563,-0.346941888332367,33.6890258789062,6.18217086791992,1.19515383243561,1.32413792610168,0.173732236027718,3.56502938270569,11.8999996185303,8.25598335266113
InChI%3D1S%2FC7H5N3O2%2Fc11-10%2812%295-1-2-6-7%283-5%299-4-8-6%2Fh1-4H%2C%28H%2C8%2C9%29,0.479956865310669,0.163262516260147,0.256289482116699,0.536952257156372,3.59579682350159,20.348690032959,7.54226541519165,0.0154465269297361,15.9959211349487,0.259203881025314,-0.207846507430077,11.5604028701782,5.47077894210815,0.116501808166504,1.18017160892487,0.294012188911438,1.9549845457077,11.8500003814697,8.202392578125
InChI%3D1S%2FC13H13N3%2Fc1-7-12-11%288%282%2915-13%287%2914%299-5-3-4-6-10%289%2916-12%2Fh3-6%2C16H%2C1-2H3%2C%28H2%2C14%2C15%29,0.513804256916046,0.256307512521744,0.0992720574140549,0.45676451921463,5.97975826263428,55.7037734985352,9.71757316589355,0.120810464024544,14.0050935745239,0.305069118738174,-0.292918741703033,26.5693302154541,5.57905721664429,1.17398452758789,1.22687637805939,0.180590331554413,2.9645311832428,11.8999996185303,11.0772953033447
InChI%3D1S%2FC6H9NO6%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29,0.490475118160248,0.424533694982529,0.292727530002594,0.487866908311844,3.88559365272522,22.8072261810303,6.24840879440308,0.120326511561871,16.0007858276367,0.33131155371666,-0.35003873705864,11.225793838501,3.42638945579529,0.751849293708801,1.40287566184998,0.161271438002586,2.07017016410828,11.9963550567627,8.50413036346436
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,0.80692994594574,0.500000298023224,0.110870480537415,0.507998466491699,5.09803342819214,4.69904041290283,2.50438785552979,0.157691702246666,34.9701538085938,0.273702681064606,-0.214484810829163,1.80917084217072,1.42400896549225,0.394921183586121,1.81492877006531,0.176454201340675,0.685457646846771,11.998706817627,6.81075191497803
InChI%3D1S%2FC17H20N2O%2Fc1-18%282%2915-9-5-13%286-10-15%2917%2820%2914-7-11-16%2812-8-14%2919%283%294%2Fh5-12H%2C1-4H3,0.446321427822113,0.430524706840515,0.192921474575996,0.606233835220337,5.53189325332642,118.605171203613,22.4744968414307,0.0334571786224842,15.9949197769165,0.104621283710003,-0.319636195898056,61.8817481994629,19.3712520599365,0.751933217048645,1.48308002948761,0.396441161632538,2.35131072998047,11.9933195114136,9.60779476165771
InChI%3D1S%2FC11H8N2O5%2Fc12-11%2814%298%289-2-1-5-17-9%296-7-3-4-10%2818-7%2913%2815%2916%2Fh1-6H%2C%28H2%2C12%2C14%29,,,0.27817490696907,,3.41343760490417,,,,16.0016937255859,,-0.401569694280624,,,,,,,11.9937677383423,9.94519424438477
InChI%3D1S%2FC6H4O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,0.531907737255096,0.388339400291443,0.189550459384918,0.481700271368027,4.38775014877319,9.06524658203125,4.34526634216309,3.5612811188912e-07,15.9959173202515,0.495596528053284,-0.290472775697708,4.71997261047363,2.19176602363586,1.54747158376267e-06,1.40194749832153,0.128302335739136,2.15349912643433,11.8000001907349,7.11116981506348
InChI%3D1S%2FC11H14N2O4%2Fc12-10%2814%2916-6-9%287-17-11%2813%2915%298-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2%2C%28H2%2C12%2C14%29%28H2%2C13%2C15%29,0.430165261030197,0.501945376396179,0.276499420404434,0.393758028745651,4.29689455032349,77.1494903564453,10.9603786468506,0.139267608523369,15.9979295730591,0.309635758399963,-0.326867401599884,34.8991012573242,6.04022741317749,1.52642583847046,1.32586872577667,0.16332246363163,3.39372539520264,11.8500003814697,9.7864465713501
InChI%3D1S%2FC9H15Br6O4P%2Fc10-1-7%2813%294-17-20%2816%2C18-5-8%2814%292-11%2919-6-9%2815%293-12%2Fh7-9H%2C1-6H2,0.476839184761047,0.450004518032074,0.454091250896454,0.482258260250092,4.27224493026733,119.218254089355,14.7445621490479,0.0753787383437157,78.9233703613281,0.323952049016953,-0.282610952854156,57.4560775756836,8.85660457611084,1.11142647266388,1.40910196304321,0.200501918792725,4.77653121948242,11.9988422393799,10.6298980712891
InChI%3D1S%2FC13H17N3O4S%2Fc1-10-12%2814%282%299-21%2818%2C19%2920%2913%2817%2916%2815%2810%293%2911-7-5-4-6-8-11%2Fh4-8H%2C9H2%2C1-3H3%2C%28H%2C18%2C19%2C20%29,0.255886971950531,0.308274626731873,0.299504488706589,0.432449072599411,5.83389377593994,132.740234375,16.084321975708,0.0719079673290253,31.9728298187256,0.271187722682953,-0.305180907249451,63.3521995544434,10.565860748291,1.15659093856812,0.996610701084137,0.242678239941597,4.36187076568604,11.9989995956421,11.2671213150024
InChI%3D1S%2FC7H8N2O2%2Fc1-5-2-3-6%289%2810%2911%294-7%285%298%2Fh2-4H%2C8H2%2C1H3,0.49460580945015,0.125238165259361,0.255158215761185,0.512890458106995,3.59801554679871,19.7678031921387,7.16717004776001,0.0126997334882617,15.9959201812744,0.319443583488464,-0.322605133056641,11.6031284332275,4.78664255142212,0.0910211503505707,1.13273441791534,0.250892519950867,2.28950643539429,11.8500003814697,8.2379035949707
InChI%3D1S%2FC9H7N3O2S%2Fc10-9-11-8%285-15-9%296-1-3-7%284-2-6%2912%2813%2914%2Fh1-5H%2C%28H2%2C10%2C11%29,0.50555682182312,0.381118893623352,0.175446391105652,0.51357901096344,3.581618309021,39.6006851196289,10.0337266921997,0.0868571400642395,31.9720726013184,0.150121062994003,-0.2833231985569,19.5168476104736,7.65595197677612,0.871500790119171,1.40025472640991,0.322266340255737,1.50627374649048,11.9989995956421,10.4095087051392
InChI%3D1S%2FC20H16%2Fc1-13-16-8-5-6-9-17%2816%2914%282%2920-18%2813%2912-11-15-7-3-4-10-19%2815%2920%2Fh3-12H%2C1-2H3,0.556990683078766,0.250286877155304,0.118216030299664,0.492962121963501,7.16275787353516,67.3608627319336,14.1471967697144,0.0147947417572141,12.1502704620361,0.305920749902725,-0.184649363160133,44.5084533691406,9.60997104644775,0.209304124116898,1.30023968219757,0.259463369846344,4.32792091369629,11.8500003814697,11.7756671905518
InChI%3D1S%2FC3H7N5O3%2Fc1-2-5-3%284%297%286-9%298%2810%2911%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29,0.368883311748505,0.334702849388123,,0.652572751045227,,25.1673793792725,7.0855860710144,0.136447578668594,,0.180333897471428,,12.1013946533203,4.84100389480591,0.966811060905457,1.3561589717865,0.262413889169693,1.27777135372162,,
InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2,0.496093839406967,0.488495618104935,0.118355363607407,0.558418571949005,5.53903722763062,49.8255271911621,12.0865573883057,0.0843019858002663,34.9688529968262,0.111577242612839,-0.310048550367355,24.3840103149414,9.71905136108398,1.01892077922821,1.54300808906555,0.353090584278107,1.34858477115631,11.8500003814697,8.57056617736816
InChI%3D1S%2FC3H8N2%2Fc1-2-3-5-4%2Fh2%2C5H%2C1%2C3-4H2,0.434702098369598,0.196432620286942,0.0279659405350685,0.532232820987701,4.47300291061401,9.51245594024658,4.79790830612183,0.0568461269140244,14.1130771636963,0.149714455008507,-0.373645186424255,3.96872735023499,3.80684971809387,0.272742509841919,1.16336750984192,0.345079571008682,0.718316256999969,11.9989995956421,6.30200624465942
InChI%3D1S%2FC2H5BrO%2Fc3-1-2-4%2Fh4H%2C1-2H2,0.435475766658783,0.355972945690155,0.104870960116386,0.75109988451004,4.10249853134155,5.03609943389893,2.54950833320618,0.180242598056793,78.9185180664062,0.325448870658875,-0.394338667392731,2.00607538223267,1.2602436542511,0.459529966115952,1.54254853725433,0.120731398463249,0.829734623432159,11.9989070892334,7.22680854797363
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh1%2C3H2%2C2H3,0.511281430721283,0.311597466468811,0.112629309296608,0.598463714122772,5.32911539077759,8.85559749603271,3.73116302490234,0.101001799106598,34.9693794250488,0.423931241035461,-0.211715161800385,4.06783151626587,1.7725522518158,0.376854181289673,1.42134261131287,0.106300204992294,1.58175659179688,11.9985990524292,7.40600967407227
InChI%3D1S%2FC4H9NO2%2Fc1-4%282%293-7-5-6%2Fh4H%2C3H2%2C1-2H3,0.447820574045181,0.340765416622162,0.229499146342278,0.373128801584244,2.50732326507568,12.5525560379028,4.70428705215454,0.107092209160328,16.0168704986572,0.28189492225647,-0.244230672717094,5.92793464660645,2.87437987327576,0.503792464733124,1.16171479225159,0.208259657025337,1.32611453533173,11.9989995956421,6.83800363540649
InChI%3D1S%2FC5H10Br2O2%2Fc6-1-5%282-7%2C3-8%294-9%2Fh8-9H%2C1-4H2,0.545870363712311,0.52938836812973,0.0948595255613327,0.544404745101929,5.10343742370605,18.6893348693848,5.17070770263672,0.239567503333092,78.91943359375,0.371093451976776,-0.395963549613953,8.73354816436768,2.01315832138062,1.23873353004456,1.61966347694397,0.0420042760670185,1.91881585121155,11.9988565444946,11.2255029678345
InChI%3D1S%2FC2Cl2%2Fc3-1-2-4,0.965290248394012,0.568693161010742,0.128251567482948,0.576107323169708,4.83736896514893,2.52378535270691,2.52378535270691,2.11574716080243e-11,34.9701538085938,9.49126821581103e-09,-0.128214880824089,6.05893220040343e-08,2.52378535270691,5.33969188309946e-11,2.11009073257446,0.5,2.39539232893549e-08,11.998706817627,6.08241701126099
InChI%3D1S%2FC14H7ClF3NO5%2Fc15-10-5-7%2814%2816%2C17%2918%291-4-12%2810%2924-8-2-3-11%2819%2822%2923%299%286-8%2913%2820%2921%2Fh1-6H%2C%28H%2C20%2C21%29,0.366761684417725,0.277584314346313,0.416929841041565,0.571449935436249,3.6125431060791,94.5539398193359,15.3830661773682,0.0809050425887108,34.9688529968262,0.150909543037415,-0.35851177573204,45.0290184020996,11.8170471191406,1.24456763267517,1.21579599380493,0.326139062643051,2.32145142555237,11.9974088668823,9.57289028167725
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,0.4656662940979,0.455987989902496,0.167216703295708,0.465662807226181,7.47172689437866,13.7643575668335,5.68488311767578,1.20191745445197e-09,34.9739570617676,0.499994963407516,-0.167001381516457,8.07947444915771,2.84247040748596,6.83276057955595e-09,1.38731706142426,0.125003784894943,2.8424129486084,11.9985628128052,11.3837738037109
InChI%3D1S%2FC7H3Cl5O%2Fc1-13-7-5%2811%293%289%292%288%294%2810%296%287%2912%2Fh1H3,0.379630118608475,0.315469592809677,0.172318279743195,0.527637362480164,5.45521450042725,21.515172958374,7.19719362258911,0.028868492692709,34.9729766845703,0.311997026205063,-0.344554662704468,12.1046905517578,4.74391841888428,0.207772135734558,1.22273707389832,0.244350865483284,2.24550294876099,11.9985513687134,11.2708101272583
InChI%3D1S%2FC8H15N3O7%2Fc1-11%2810-18%298%2817%299-4%282-12%296%2815%297%2816%295%2814%293-13%2Fh2%2C4-7%2C13-16H%2C3H2%2C1H3%2C%28H%2C9%2C17%29,0.526804029941559,0.417549401521683,0.236468508839607,0.562193989753723,3.26925539970398,55.1136169433594,9.65073204040527,0.1787269115448,16.0016536712646,0.202429637312889,-0.418066412210464,25.3383636474609,5.97229194641113,1.7248455286026,1.50654745101929,0.214132592082024,1.95359408855438,11.9962921142578,9.061354637146
InChI%3D1S%2FC12H9NO%2Fc13-8-5-6-12-10%287-8%299-3-1-2-4-11%289%2914-12%2Fh1-7H%2C13H2,0.405584692955017,0.385827541351318,0.303752869367599,0.612550914287567,3.75050091743469,109.332946777344,16.5601291656494,0.0525511130690575,34.970157623291,0.208855256438255,-0.259612262248993,55.957878112793,12.2312068939209,0.870253264904022,1.40396308898926,0.30394521355629,3.45867013931274,11.9985275268555,11.5428628921509
InChI%3D1S%2FC12H12N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10%2C13-14H,0.53965550661087,0.524563789367676,0.0988121852278709,0.571521759033203,6.54538106918335,52.0234489440918,11.2649755477905,0.10676035284996,14.0040864944458,0.135258898139,-0.222967281937599,25.1116981506348,8.53863525390625,1.20265281200409,1.63574111461639,0.31848555803299,1.52368819713593,11.8500003814697,8.66844177246094
InChI%3D1S%2FC9H4Cl6O4%2Fc10-3-4%2811%298%2813%292%286%2818%2919%291%285%2816%2917%297%283%2C12%299%288%2C14%2915%2Fh1-2H%2C%28H%2C16%2C17%29%28H%2C18%2C19%29,0.436185985803604,0.420612633228302,0.283178865909576,0.503382861614227,4.39067077636719,56.002799987793,9.52162837982178,0.163460657000542,15.9979333877563,0.251271039247513,-0.347937911748886,25.7299137115479,5.5727071762085,1.55641174316406,1.36018145084381,0.188951224088669,2.3925096988678,11.994402885437,8.95776844024658
InChI%3D1S%2FC4H6O2%2Fc1-3-6-4%282%295%2Fh3H%2C1H2%2C2H3,0.413991302251816,0.16668339073658,0.336067348718643,0.624037981033325,3.58210253715515,10.6288242340088,5.53560066223145,0.0236783586442471,16.0060234069824,0.153812497854233,-0.339034646749496,4.58508968353271,4.55308198928833,0.13107393682003,1.20471274852753,0.366881847381592,0.851444602012634,11.988787651062,5.5402684211731
InChI%3D1S%2FC12H14N4O2S%2Fc1-8-7-9%282%2915-12%2814-8%2916-19%2817%2C18%2911-5-3-10%2813%294-6-11%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29,0.428327292203903,0.410863161087036,0.24744288623333,0.554209351539612,5.72628784179688,97.4706954956055,11.5346593856812,0.225785955786705,31.9720726013184,0.248720467090607,-0.302525997161865,40.6472969055176,6.06138944625854,2.60436415672302,1.39339983463287,0.144120186567307,2.86890602111816,11.8500003814697,11.4853992462158
InChI%3D1S%2FC14H9NO2%2Fc15-8-5-6-11-12%287-8%2914%2817%2910-4-2-1-3-9%2810%2913%2811%2916%2Fh1-7H%2C15H2,0.533125162124634,0.314719349145889,0.195505529642105,0.548050999641418,5.52396297454834,40.9210968017578,12.0485982894897,0.0124469650909305,15.9959230422974,0.208202764391899,-0.302582800388336,25.3399143218994,9.3900785446167,0.149968490004539,1.39589548110962,0.334512710571289,2.50855159759521,11.8500003814697,10.0913963317871
InChI%3D1S%2FC6H12N2%2Fc1-3-5-8%287%296-4-2%2Fh3-4H%2C1-2%2C5-7H2,0.365532219409943,0.391912877559662,0.121632628142834,0.455398291349411,5.19157028198242,23.1774311065674,7.14360523223877,0.0856102555990219,14.0040798187256,0.206919342279434,-0.29921618103981,11.4651794433594,5.05388927459717,0.611565887928009,1.21284341812134,0.280602812767029,1.47815012931824,11.789999961853,7.91100692749023
InChI%3D1S%2FC13H12N4%2Fc1-17-11-7-10%289-5-3-2-4-6-9%298-15-12%2811%2916-13%2817%2914%2Fh2-8H%2C1H3%2C%28H2%2C14%2C15%2C16%29,0.453389048576355,0.18069626390934,0.157773166894913,0.578828513622284,5.66262340545654,81.1464157104492,14.6505947113037,0.0784614607691765,14.0061006546021,0.141677558422089,-0.278200656175613,39.2349052429199,11.4254274368286,1.14950716495514,1.21291387081146,0.334895730018616,2.07566046714783,11.8500003814697,9.97917556762695
InChI%3D1S%2FC6H6N4O4%2Fc7-6%2811%299-8-3-4-1-2-5%2814-4%2910%2812%2913%2Fh1-3H%2C%28H3%2C7%2C9%2C11%29,,,0.278227478265762,,3.3362238407135,,,,16.0169982910156,,-0.33490201830864,,,,,,,11.9989995956421,7.75269746780396
InChI%3D1S%2FC16H22N4O3%2Fc1-3-6-13-14%289-8-12%2811%282%2921%2916%2813%2922%2923-10-5-4-7-15-17-19-20-18-15%2Fh8-9%2C22H%2C3-7%2C10H2%2C1-2H3%2C%28H%2C17%2C18%2C19%2C20%29,0.458726555109024,0.426186174154282,0.244207054376602,0.479672968387604,4.67104148864746,133.624603271484,19.6208992004395,0.04049301892519,16.0061473846436,0.18514347076416,-0.375920444726944,70.1516418457031,15.1937074661255,0.79450935125351,1.36458563804626,0.330772638320923,3.63268136978149,11.9884653091431,10.0594606399536
InChI%3D1S%2FC5H9NO%2Fc1-6-4-2-3-5%286%297%2Fh2-4H2%2C1H3,0.47207698225975,0.360400944948196,0.281054526567459,0.569551229476929,4.2309398651123,11.6486721038818,4.54894351959229,0.0931698381900787,16.0059242248535,0.298643827438354,-0.358892798423767,5.50679731369019,2.76660513877869,0.423824310302734,1.40202915668488,0.206139743328094,1.35851395130157,11.9887399673462,7.24850797653198
InChI%3D1S%2FC5H12N2O%2Fc1-2-3-4-7%286%295-8%2Fh5H%2C2-4%2C6H2%2C1H3,0.420542925596237,0.523224651813507,0.280906409025192,0.573259711265564,3.59969663619995,20.0868873596191,6.68666172027588,0.108935222029686,16.0059261322021,0.160469636321068,-0.361411452293396,9.5819616317749,4.8852424621582,0.728412985801697,1.51702725887299,0.297946363687515,1.07300615310669,11.9887399673462,7.1509051322937
InChI%3D1S%2FC6H10O2%2Fc1-2-3-7-4-6-5-8-6%2Fh2%2C6H%2C1%2C3-5H2,0.526275396347046,0.411075681447983,0.105026327073574,0.575951337814331,4.57368421554565,20.8469429016113,8.23799324035645,0.0661185309290886,15.997784614563,0.0958253666758537,-0.391441583633423,9.64042186737061,6.90390062332153,0.544683992862701,1.51330244541168,0.378542065620422,0.7894087433815,11.9968357086182,6.24827432632446
InChI%3D1S%2FC2H6O3S%2Fc1-5-6%282%2C3%294%2Fh1-2H3,0.49949249625206,0.447586208581924,0.345498919487,0.645713031291962,5.28511953353882,10.8951854705811,4.76877784729004,0.109119832515717,31.9748306274414,0.153608649969101,-0.280155211687088,4.78621196746826,3.5158839225769,0.520368218421936,1.59279179573059,0.302953630685806,0.732525527477264,11.9989995956421,7.58499145507812
InChI%3D1S%2FC11H9N3%2Fc12-10-6-5-8-7-3-1-2-4-9%287%2913-11%288%2914-10%2Fh1-6H%2C%28H3%2C12%2C13%2C14%29,0.560146272182465,0.329082727432251,0.101742751896381,0.502366960048676,5.50819826126099,36.4364814758301,9.16104984283447,0.0652584582567215,14.0085563659668,0.236691623926163,-0.293202817440033,18.9856739044189,6.39486980438232,0.597836017608643,1.39159595966339,0.273537427186966,2.16834378242493,11.994402885437,10.1208868026733
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,0.501390278339386,0.235267356038094,0.115795120596886,0.593668162822723,6.25058889389038,15.7759504318237,6.04980611801147,0.0307676568627357,15.9949169158936,0.294996231794357,-0.34482878446579,8.37111854553223,4.07899808883667,0.186138361692429,1.33032584190369,0.255677074193954,1.78467011451721,11.8500003814697,8.19418430328369
InChI%3D1S%2FC12H12N2%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C13-14H2,0.409051835536957,0.525142967700958,0.280906409025192,0.579137027263641,3.59969663619995,20.0342426300049,6.76092481613159,0.100275255739689,16.0059261322021,0.161612778902054,-0.361411452293396,9.57665348052979,4.99031925201416,0.677953481674194,1.51333177089691,0.303583979606628,1.09265184402466,11.9887399673462,7.1509051322937