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

SMILES,SC-3,BCUTp-1h,FPSA-3,VP-3,SCH-7,VP-4,MLogP,BCUTw-1h,Wnu1.unity,THSA,TopoPSA,bpol,ATSc1,RNCS,khs.dO,VPC-5,RPCG,MDEC-23,MDEN-23,BCUTw-1l,VCH-6,khs.ssNH,Wnu2.unity,VCH-7,khs.sssN
InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,0.40824830532074,7.92974948883057,0.0294718872755766,0.375792592763901,0.0,0.0,1.78999996185303,34.9693794250488,5.99460736339097e-06,355.120635986328,0.0,5.88603496551514,0.025400809943676,24.2228965759277,0.0,0.0,0.187073335051537,1.0,0.0,11.9985990524292,0.0,0.0,0.248330801725388,0.0,0.0
InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2,0.288675129413605,10.7745018005371,0.0170025993138552,3.37808275222778,0.0,0.642857134342194,1.46000003814697,78.91943359375,0.199644237756729,290.461120605469,0.0,8.46603488922119,0.116667233407497,21.4370918273926,0.0,1.26254642009735,0.173232227563858,2.0,0.0,11.9988794326782,0.0,0.0,0.287291556596756,0.0,0.0
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%29,1.29174244403839,10.1326465606689,0.0539907924830914,2.75342798233032,0.715386986732483,1.88050019741058,2.11999988555908,14.0147838592529,0.0121206091716886,386.837219238281,64.9000015258789,17.3052768707275,0.300049245357513,6.32351016998291,0.0,1.42181015014648,0.143205851316452,6.98857831954956,0.877205312252045,11.9884147644043,0.107306219637394,1.0,0.238401621580124,0.158119574189186,1.0
InChI%3D1S%2FC11H14O2%2Fc1-4-5-9-6-7-10%2812-2%2911%288-9%2913-3%2Fh4%2C6-8H%2C1%2C5H2%2C2-3H3,0.537457466125488,8.94060325622559,0.0419566668570042,1.82799136638641,0.144337564706802,1.1742707490921,2.45000004768372,15.9982604980469,0.0475654937326908,430.125854492188,18.4599990844727,19.1368980407715,0.309429407119751,5.02638864517212,0.0,0.624802708625793,0.101118057966232,7.67819404602051,0.0,11.9962329864502,0.0240562614053488,0.0,0.299823224544525,0.0366521999239922,0.0
InChI%3D1S%2FC3H6ClNO%2Fc1-5%282%293%284%296%2Fh1-2H3,0.666666686534882,7.16250705718994,0.0258994214236736,0.689666748046875,0.0,0.0,1.46000003814697,34.9693794250488,0.0720244795084,250.107620239258,20.3099994659424,9.9172420501709,0.237975254654884,18.625207901001,1.0,0.0,0.578370928764343,0.0,0.0,11.9986352920532,0.0,0.0,0.422144323587418,0.0,1.0
InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-2-1-3-8-4-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29,0.402368932962418,8.41463088989258,0.0676767528057098,1.04202055931091,0.0589255653321743,0.569565117359161,1.67999994754791,15.9949178695679,0.0995842590928078,259.955474853516,71.5,8.31244945526123,0.18249736726284,9.4590129852295,0.0,0.231603920459747,0.199549213051796,3.94154000282288,0.0,11.9885530471802,0.0248451996594667,0.0,0.226425871253014,0.0124225998297334,0.0
InChI%3D1S%2FC13H14N2%2Fc14-12-5-1-10%282-6-12%299-11-3-7-13%2815%298-4-11%2Fh1-8H%2C9%2C14-15H2,0.98559856414795,9.25030708312988,0.0515776611864567,2.36768674850464,0.284517794847488,1.50667929649353,2.67000007629395,14.0040874481201,0.0958103984594345,426.849151611328,52.0400009155273,13.9848976135254,0.0341497547924519,5.73680257797241,0.0,0.662076830863953,0.113046564161777,14.3116302490234,0.0,11.8500003814697,0.0555555559694767,0.0,0.143217459321022,0.0713587254285812,0.0
InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H,0.20412415266037,6.5589337348938,,0.659336924552917,0.102062076330185,0.358319312334061,1.78999996185303,16.0007247924805,,,30.2099990844727,7.24682807922363,0.315179973840714,,1.0,0.100116394460201,,2.82842707633972,0.0,11.9939661026001,0.0226804614067078,0.0,,0.00925925932824612,0.0
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%29,1.00886201858521,9.70279121398926,0.0446811243891716,2.55472803115845,0.223191991448402,1.53438186645508,2.33999991416931,15.9969301223755,0.0511830672621727,462.129852294922,,19.3636913299561,0.535376489162445,3.85536623001099,2.0,0.694247782230377,0.140928372740746,11.6394462585449,0.0,11.8500003814697,0.0489014610648155,2.0,0.132205575704575,0.045953344553709,0.0
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%29,1.10649311542511,10.3184604644775,0.045217152684927,3.12122869491577,0.107038088142872,2.16621041297913,2.23000001907349,34.9698524475098,0.0722501277923584,513.470153808594,66.5599975585938,22.795726776123,0.423909604549408,3.98644590377808,1.0,1.15270662307739,0.155233219265938,10.9631490707397,0.0,11.9962062835693,0.0277777779847383,0.0,0.184056773781776,0.0320644564926624,1.0
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%2C1-4H3,1.15181839466095,9.83025169372559,0.027457082644105,5.35370397567749,0.096225045621395,3.17791032791138,3.66000008583069,15.9979391098022,0.0536987781524658,742.400329589844,52.5999984741211,47.289867401123,0.544975399971008,0.513401627540588,2.0,1.51242673397064,0.141805157065392,19.6782150268555,0.0,11.8900003433228,0.0277777779847383,0.0,0.185662925243378,0.0277777779847383,0.0
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,0.0,5.96626329421997,0.0402603559195995,0.594819009304047,0.0,0.340206921100616,1.78999996185303,15.9974174499512,0.091500535607338,247.771881103516,13.1400003433228,8.47524166107178,0.147537589073181,23.5781898498535,0.0,0.0,0.210752800107002,0.0,0.0,11.9969358444214,0.0,0.0,0.384772956371307,0.0,0.0
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,1.16105437278748,11.6682014465332,0.0322993583977222,4.37090396881104,0.675262272357941,3.48949384689331,3.66000008583069,12.1502704620361,2.47956446486342e-08,547.587890625,0.0,13.118483543396,0.0,1.12740218639374,0.0,2.47072172164917,0.0842571407556534,31.8787746429443,0.0,11.8500003814697,0.111542902886868,0.0,0.278654187917709,0.208587795495987,0.0
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,0.0,6.16526651382446,0.0442636981606483,0.566487431526184,0.0,0.312602013349533,1.89999997615814,14.0030765533447,6.14148509825441e-10,222.030624389648,12.8900003433228,6.78603506088257,0.0791397169232368,17.5788917541504,0.0,0.0,0.203332528471947,0.0,0.0,11.8500003814697,0.0286887660622597,0.0,0.43276908993721,0.0,0.0
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-7%282%298%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,0.760079681873322,8.31507873535156,0.0414706207811832,1.43473982810974,0.20412415266037,0.759900152683258,2.23000001907349,14.0030784606934,0.0224283691495657,324.115417480469,26.0200004577637,11.3652772903442,0.0171017944812775,8.94946479797363,0.0,0.524786233901978,0.200294524431229,5.85380077362061,0.0,11.8500003814697,0.0240562614053488,0.0,0.291220605373383,0.0620014108717442,0.0
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%2C1H3,0.810617208480835,10.4890012741089,0.0355155877768993,3.62700366973877,0.144337564706802,2.43783378601074,3.10999989509583,34.9688529968262,0.142308115959167,593.590576171875,12.4700002670288,28.3665542602539,0.291793048381805,1.31135702133179,0.0,1.22328150272369,0.0527256280183792,11.8647785186768,0.0,11.8500003814697,0.0641500279307365,0.0,0.198591083288193,0.0357750318944454,1.0
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%2C1-4H3,3.60888528823853,13.5527124404907,0.0279821548610926,9.59222602844238,2.28262734413147,8.29401969909668,3.54999995231628,34.9688529968262,0.132530406117439,520.658935546875,60.439998626709,36.9130020141602,0.539937973022461,0.0,3.0,11.7351980209351,0.147010937333107,21.3274383544922,0.0,11.9883785247803,0.692025065422058,0.0,0.166933432221413,1.61046206951141,0.0
InChI%3D1S%2FC7H16O2%2Fc1-6%288%295-9-7%282%2C3%294%2Fh6%2C8H%2C5H2%2C1-4H3,1.96890842914581,8.01995182037354,0.0354518964886665,0.757548272609711,0.0,0.370601147413254,2.00999999046326,15.9959182739258,0.139671742916107,313.862213134766,29.4599990844727,19.4073123931885,0.252092689275742,12.6529970169067,0.0,0.431605368852615,0.23135744035244,1.0,0.0,11.8900003433228,0.0,0.0,0.169790476560593,0.0,0.0
InChI%3D1S%2FC2H3ClO%2Fc3-1-2-4%2Fh2H%2C1H2,0.0,5.98385858535767,0.0565190985798836,0.188982233405113,0.0,0.0,1.46000003814697,34.9693794250488,0.100824311375618,237.861633300781,17.0699996948242,4.65762090682983,0.201686650514603,34.6858215332031,1.0,0.0,0.300661385059357,0.0,0.0,11.998706817627,0.0,0.0,0.312803119421005,0.0,0.0
InChI%3D1S%2FC2HCl5%2Fc3-1%284%292%285%2C6%297%2Fh1H,1.65470051765442,11.6964206695557,0.0158782359212637,2.22692251205444,0.0,0.0,1.12999999523163,34.9729766845703,0.240021347999573,324.134490966797,0.0,3.19320702552795,0.249357908964157,15.020359992981,0.0,0.954395353794098,0.500237584114075,0.0,0.0,11.998706817627,0.0,0.0,0.30801385641098,0.0,0.0
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%29,1.58041763305664,11.7244691848755,0.042335394769907,4.89977693557739,0.348461717367172,3.43097805976868,2.33999991416931,34.9688529968262,0.0873811915516853,596.342712402344,114.540000915527,31.8037605285645,0.514551281929016,5.94493103027344,0.0,2.15419459342957,0.0937473028898239,11.4985065460205,0.0,11.8900003433228,0.0535190440714359,2.0,0.38298225402832,0.141539007425308,0.0
InChI%3D1S%2FC2H6N2O%2Fc1-2%285%294-3%2Fh3H2%2C1H3%2C%28H%2C4%2C5%29,0.40824830532074,5.71250486373901,0.0638372600078583,0.186834469437599,0.0,0.0,1.35000002384186,15.9949159622192,0.0678487047553062,212.711410522461,58.6100006103516,5.89924192428589,0.0986404120922089,23.1652946472168,0.0,0.0,0.289791762828827,0.0,0.0,11.9989995956421,0.0,0.0,0.335970044136047,0.0,0.0
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-8%289%297%282%295-6%2Fh3-5H%2C9H2%2C1-2H3,0.760079681873322,8.3963794708252,0.0378947593271732,1.42530250549316,0.20412415266037,0.825623095035553,2.23000001907349,14.0030784606934,0.0227696001529694,318.727203369141,26.0200004577637,11.3652772903442,0.0173182040452957,9.11064052581787,0.0,0.590509176254272,0.200358912348747,5.85380077362061,0.0,11.8500003814697,0.0240562614053488,0.0,0.323007702827454,0.0620014108717442,0.0
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%2C1-5H3,3.69371318817139,12.7248973846436,0.0267848894000053,13.2548694610596,1.06582605838776,10.9536046981812,5.19999980926514,34.969856262207,0.197565734386444,793.247680664062,29.5400009155273,66.9135894775391,0.461381554603577,0.0416629426181316,1.0,12.0242528915405,0.104098469018936,38.9654388427734,0.0,11.8999996185303,0.399425983428955,0.0,0.355562895536423,0.893241763114929,1.0
InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3,0.537457466125488,8.72925853729248,0.0371527820825577,1.9756555557251,0.310301214456558,1.38513076305389,2.33999991416931,15.9959192276001,0.0476536974310875,374.500366210938,18.4599990844727,16.9504833221436,0.301699161529541,8.54535961151123,0.0,0.643812596797943,0.170934543013573,8.83114051818848,0.0,11.8500003814697,0.0580769516527653,0.0,0.141492024064064,0.0647992268204689,0.0
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%2C17H2,1.54314255714417,12.0512847900391,0.0336739085614681,4.4208607673645,0.453905135393143,3.58255457878113,2.45000004768372,78.91943359375,0.0123744886368513,420.0205078125,60.1599998474121,11.4884490966797,0.302769124507904,4.0234203338623,2.0,3.44091868400574,0.148967191576958,14.0497217178345,0.0,11.9988346099854,0.0614449754357338,0.0,0.280473530292511,0.17352993786335,0.0
InChI%3D1S%2FC7H10N2O%2Fc1-10-7-3-2-5%288%294-6%287%299%2Fh2-4H%2C8-9H2%2C1H3,0.6910440325737,8.16068172454834,0.0602238141000271,1.2537579536438,0.184195280075073,0.752830326557159,1.89999997615814,15.9949178695679,0.0250642020255327,304.929077148438,61.2700004577637,11.5280704498291,0.186346635222435,5.27326965332031,0.0,0.43373367190361,0.118950508534908,5.85380077362061,0.0,11.9935121536255,0.0240562614053488,0.0,0.293557733297348,0.0375987067818642,0.0
InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3,0.705118358135223,8.05840015411377,0.0262533370405436,1.31215047836304,0.131445854902267,0.768270313739777,1.89999997615814,15.9959192276001,0.030681699514389,316.144348144531,34.1399993896484,8.90844917297363,0.0564448907971382,11.1560001373291,2.0,0.491504997014999,0.24844266474247,4.29827976226807,0.0,11.8900003433228,0.0277777779847383,0.0,0.415601164102554,0.0402003787457943,0.0
InChI%3D1S%2FC3H9O4P%2Fc1-5-8%284%2C6-2%297-3%2Fh1-3H3,0.926776707172394,4.91875648498535,0.0445645302534103,1.00673413276672,0.0,0.33557802438736,1.24000000953674,30.973762512207,0.0912277549505234,267.280944824219,54.5699996948242,24.0248622894287,0.57679146528244,2.43937420845032,1.0,0.329927980899811,0.419031977653503,0.0,0.0,11.9965486526489,0.0,0.0,0.395272612571716,0.0,0.0
InChI%3D1S%2FC6H13NO3S%2Fc8-11%289%2C10%297-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2%2C%28H%2C8%2C9%2C10%29,1.76478433609009,9.6496353149414,0.0490716211497784,2.2754909992218,0.0721687823534012,1.80025029182434,1.57000005245209,31.9720706939697,0.111422136425972,313.997192382812,74.7799987792969,21.3476905822754,0.22983606159687,6.1295747756958,2.0,0.758583724498749,0.316032499074936,3.04182171821594,0.0,11.8999996185303,0.102062076330185,1.0,0.225151017308235,0.0510310381650925,0.0
InChI%3D1S%2FC8H12%2Fc1-2-8-6-4-3-5-7-8%2Fh2-4%2C8H%2C1%2C5-7H2,0.20412415266037,8.69313049316406,0.0338070392608643,1.64295637607574,0.0721687823534012,1.0310971736908,2.33999991416931,12.1001262664795,0.168313711881638,349.528503417969,0.0,13.118483543396,0.00488553149625659,4.65243339538574,0.0,0.343013048171997,0.116024285554886,3.96540641784668,0.0,11.8999996185303,0.0680413842201233,0.0,0.274516940116882,0.039283711463213,0.0
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%2918,5.0,17.4356994628906,0.0,17.2899150848389,11.3125,15.9015398025513,1.24000000953674,34.9799118041992,0.257881075143814,473.56787109375,0.0,5.03999996185303,0.602841317653656,3.34200167655945,0.0,53.3493461608887,0.126115366816521,0.0,0.0,11.9985313415527,4.06130933761597,0.0,0.311087131500244,13.5892601013184,0.0
InChI%3D1S%2FC17H13N3O3%2Fc1-11-6-8-14%2815%2810-11%2920%2822%2923%2918-19-17-13-5-3-2-4-12%2813%297-9-16%2817%2921%2Fh2-10%2C18H%2C1H3,1.59929239749908,,0.033259954303503,3.50165772438049,0.435882389545441,2.35384774208069,2.67000007629395,,0.0352500155568123,552.287719726562,75.5999984741211,17.0856914520264,0.255127787590027,9.52267456054688,3.0,1.42490601539612,0.143894895911217,17.8824920654297,0.577350258827209,,0.0726673752069473,1.0,0.179620355367661,0.118647456169128,0.0
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,0.901047587394714,8.32169437408447,0.0530049987137318,1.14061212539673,0.142258897423744,0.71400249004364,2.00999999046326,15.9959192276001,0.0569176711142063,220.19677734375,52.8199996948242,11.158863067627,0.186470657587051,11.8632001876831,,0.290459334850311,0.205735564231873,6.29469060897827,,11.8500003814697,0.0277777779847383,,0.172881662845612,0.0248451996594667,
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,1.10549890995026,9.62836265563965,0.0401401221752167,2.44121479988098,0.671273171901703,1.67827200889587,2.00999999046326,15.9969272613525,5.66795415579691e-06,429.191284179688,76.2600021362305,14.1244487762451,0.384926021099091,0.604644179344177,2.0,0.964957296848297,0.193092212080956,10.1808624267578,0.577350258827209,11.9884147644043,0.104837149381638,0.0,0.260089844465256,0.120751820504665,0.0
InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-1-2-8%286-10%294-3-7%2Fh1-4H2,0.40824830532074,7.13404893875122,0.0289566293358803,1.46339559555054,0.117851130664349,0.848634243011475,1.24000000953674,16.0168724060059,0.09646787494421,351.341369628906,65.3399963378906,11.9816560745239,0.130721837282181,0.870130777359009,2.0,0.341961145401001,0.079826757311821,0.0,2.0,11.9989995956421,0.0500000007450581,0.0,0.345586568117142,0.0447213612496853,2.0
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%2C3-4H2,2.13230037689209,14.4949722290039,0.0226216930896044,6.16645097732544,0.615596115589142,3.44831490516663,1.67999994754791,34.9720077514648,0.0567034818232059,442.177795410156,62.6800003051758,17.6948623657227,0.508817732334137,5.37108373641968,2.0,5.07513189315796,0.188113421201706,6.99928522109985,0.0,11.9985313415527,0.184332758188248,0.0,0.163548812270164,0.278502225875854,1.0
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,0.288675129413605,9.03900241851807,0.018677981570363,1.70443499088287,0.0,0.371153742074966,1.46000003814697,34.9710578918457,0.208780407905579,281.14892578125,0.0,6.72603511810303,0.149364098906517,22.1470375061035,0.0,0.420848786830902,0.192337721586227,2.0,0.0,11.9986352920532,0.0,0.0,0.270075559616089,0.0,0.0
InChI%3D1S%2FCH6N2%2Fc1-3-2%2Fh3H%2C2H2%2C1H3,0.0,4.61719274520874,0.0536659732460976,0.0,0.0,0.0,1.35000002384186,14.1130752563477,0.0769803076982498,245.439025878906,38.0499992370605,5.23924207687378,0.0300061777234077,11.0509309768677,0.0,0.0,0.261896342039108,0.0,0.0,11.9999990463257,0.0,1.0,0.229594334959984,0.0,0.0
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,1.15470051765442,11.1922044754028,0.0293107107281685,3.44343066215515,0.222222223877907,1.72171533107758,1.46000003814697,34.9729766845703,8.14897749279453e-09,324.4423828125,20.2299995422363,3.19320702552795,0.226349651813507,10.0623168945312,,2.87501883506775,0.221260190010071,0.0,0.0,11.9985628128052,0.015625,,0.450024336576462,0.0955731347203255,
InChI%3D1S%2FC7H14N2O%2Fc1-7%282%294-5-8-9%283%296-10%2Fh5-7H%2C4H2%2C1-3H3,0.696923434734344,7.59640550613403,0.0344629660248756,0.993149876594543,0.0,0.413965612649918,1.89999997615814,16.0059261322021,0.104291513562202,303.952087402344,32.6699981689453,18.24289894104,0.242552220821381,15.7881574630737,1.0,0.179766267538071,0.25725257396698,1.39247667789459,1.0,11.9886617660522,0.0,0.0,0.145971417427063,0.0,1.0
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%2C1-2H3,2.72697305679321,10.7771339416504,0.0167434625327587,3.09367704391479,0.124002821743488,2.24543881416321,1.78999996185303,19.0004138946533,0.153576985001564,560.842712402344,71.5199966430664,25.5923118591309,0.465274930000305,0.0,4.0,1.59590184688568,0.273385167121887,8.86262512207031,0.0,11.9989995956421,0.020833333954215,0.0,0.242580443620682,0.0383675172924995,1.0
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,0.577350258827209,8.48476219177246,0.0306878555566072,0.0,0.0,0.0,1.24000000953674,34.9710578918457,0.217433214187622,264.560455322266,0.0,2.35320711135864,0.146240457892418,22.7199974060059,0.0,0.0,0.712559044361115,0.0,0.0,11.9994735717773,0.0,0.0,0.39127242565155,0.0,0.0
InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3,0.810617208480835,13.0387535095215,0.0209180228412151,3.27570009231567,0.0,2.03264260292053,1.89999997615814,34.9693794250488,0.0815628245472908,471.443511962891,60.6300010681152,21.1248989105225,0.125866040587425,0.654867887496948,0.0,1.85827910900116,0.136465519666672,2.48111128807068,0.0,11.9985437393188,0.0,0.0,0.188690677285194,0.0,1.0
InChI%3D1S%2FCH4N2O%2Fc2-3-1-4%2Fh1H%2C2H2%2C%28H%2C3%2C4%29,0.0,4.55926418304443,0.105895102024078,0.0666666701436043,0.0,0.0,1.24000000953674,15.9979419708252,0.0503059886395931,154.616195678711,58.6100006103516,3.7128279209137,0.117822125554085,16.5664501190186,0.0,0.0,0.287248551845551,0.0,0.0,11.9969720840454,0.0,0.0,0.0923622474074364,0.0,0.0
InChI%3D1S%2FC9H10O2%2Fc1-8%2810%2911-7-9-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3,0.61237245798111,8.24794387817383,0.0367300100624561,1.28492319583893,0.0721687823534012,0.759200513362885,2.23000001907349,15.9959192276001,0.0519298985600471,316.95556640625,26.2999992370605,13.8060703277588,0.275741517543793,3.71267175674438,1.0,0.226925730705261,0.288289874792099,4.81370401382446,0.0,11.8500003814697,0.0320750139653683,0.0,0.14089760184288,0.0226804614067078,0.0
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,0.946923434734344,8.72513389587402,0.0446644723415375,2.8706750869751,0.139419376850128,2.23238754272461,1.46000003814697,34.970157623291,0.137521922588348,423.202667236328,51.3800010681152,30.232105255127,0.475796908140182,4.03130483627319,1.0,1.40006458759308,0.242071062326431,0.0,0.5,11.9985513687134,0.0484365150332451,1.0,0.217073887586594,0.0414355918765068,1.0
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%29,1.10517168045044,7.38347673416138,0.0430146716535091,0.877904295921326,0.0,0.499600201845169,1.57000005245209,15.9987049102783,0.0974810943007469,243.587768554688,73.129997253418,16.0564842224121,0.359595775604248,8.8548002243042,1.0,0.248860046267509,0.195351764559746,2.82842707633972,1.0,11.9963550567627,0.0,0.0,0.132651284337044,0.0,1.0
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,2.04077744483948,16.5983848571777,0.0071656284853816,12.5988855361938,0.414201349020004,7.89288759231567,1.78999996185303,78.9263610839844,0.138400182127953,614.621826171875,0.0,12.7032070159912,0.157341122627258,7.6140513420105,0.0,15.6546773910522,0.107774540781975,3.91398096084595,0.0,11.9988374710083,0.0336671955883503,0.0,0.154811277985573,0.312004715204239,0.0
InChI%3D1S%2FC4H8Cl2O2%2Fc5-3-7-1-2-8-4-6%2Fh1-4H2,0.0,6.25295686721802,0.0380619242787361,0.83491849899292,0.0,0.445177972316742,1.46000003814697,34.9701538085938,0.0709596127271652,308.868621826172,18.4599990844727,13.4176559448242,0.463006407022476,5.10781812667847,0.0,0.0,0.147497594356537,0.0,0.0,11.9985990524292,0.0,0.0,0.0894480720162392,0.0,0.0
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%2C1H3,0.969416081905365,9.8278579711914,0.046692606061697,2.55233263969421,0.126679942011833,1.69061100482941,1.89999997615814,16.0170001983643,0.0901370272040367,418.944793701172,89.870002746582,22.4805183410645,0.379887402057648,10.7845792770386,2.0,1.1070761680603,0.122897759079933,8.0069055557251,0.516397774219513,11.9989995956421,0.0240562614053488,1.0,0.226781755685806,0.0335447043180466,1.0
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-3-1-2-4-6%285%298%289%2910%2Fh1-4H,0.705118358135223,8.75554656982422,0.0243475064635277,1.36876165866852,0.131445854902267,0.80453473329544,1.67999994754791,34.9693794250488,0.00867295358330011,355.68359375,34.1399993896484,6.048828125,0.0910036116838455,15.0231885910034,2.0,0.537419259548187,0.267208397388458,4.29827976226807,0.0,11.9985628128052,0.0277777779847383,0.0,0.373125314712524,0.043919637799263,0.0
InChI%3D1S%2FC6H8N2%2Fc7-8-6-4-2-1-3-5-6%2Fh1-5%2C8H%2C7H2,0.20412415266037,7.87838125228882,0.0539998859167099,0.940455734729767,0.0721687823534012,0.534377872943878,1.89999997615814,14.0040798187256,0.0168544817715883,313.330047607422,38.0499992370605,7.42565584182739,0.0130144907161593,8.47590923309326,0.0,0.138888895511627,0.192207485437393,3.04182171821594,0.0,11.8500003814697,0.0320750139653683,1.0,0.292199671268463,0.0160375069826841,0.0
InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3,0.20412415266037,7.83963680267334,0.0244545638561249,1.65503239631653,0.0,0.874708950519562,2.00999999046326,16.0168170928955,0.0916910916566849,408.814025878906,32.6699981689453,21.295726776123,0.0583857148885727,0.841401398181915,1.0,0.207735031843185,0.0736788734793663,0.0,1.0,11.9989995956421,0.0,0.0,0.257618874311447,0.0,1.0
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%29,0.81649661064148,8.52972888946533,0.0576874762773514,1.48331451416016,0.117851130664349,0.830141961574554,2.00999999046326,15.9959211349487,0.019076582044363,311.029388427734,64.8499984741211,13.7784843444824,0.203630536794662,9.18868827819824,0.0,0.330740511417389,0.167110800743103,6.69682168960571,0.0,11.8500003814697,0.0277777779847383,1.0,0.11582075804472,0.0335307456552982,0.0
InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296,0.666666686534882,3.66421484947205,0.0643031746149063,0.142857149243355,0.0,0.0,1.24000000953674,19.0020332336426,1.03587605160271e-09,197.000045776367,0.0,4.81199979782104,0.3345066010952,11.8549556732178,0.0,0.0,0.5,0.0,0.0,11.9978256225586,0.0,0.0,0.338133037090302,0.0,0.0
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3,0.492799282073975,7.40144920349121,0.047885574400425,1.0724231004715,0.142258897423744,0.58222097158432,2.00999999046326,15.9959182739258,0.0136691089719534,254.719192504883,29.4599990844727,10.6616563796997,0.205934926867485,16.2056560516357,,0.208409935235977,0.263501137495041,5.65685415267944,0.0,11.8500003814697,0.0277777779847383,,0.226156309247017,0.0237628296017647,
InChI%3D1S%2FC9H4Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-4H,2.35380864143372,13.2208757400513,0.0325892977416515,3.29388976097107,0.615596115589142,2.54415130615234,1.67999994754791,34.9710578918457,0.0337355136871338,361.068328857422,62.6800003051758,11.8088283538818,0.436678647994995,7.62540006637573,2.0,2.9832911491394,0.277622014284134,6.87156677246094,0.0,11.9985370635986,0.117107070982456,0.0,0.187055215239525,0.171335071325302,1.0
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%2C1H3,2.11449432373047,10.6020040512085,0.0426961779594421,5.20849990844727,0.594116032123566,3.59655332565308,2.67000007629395,16.0066509246826,0.157810792326927,472.063690185547,96.3000030517578,32.8717613220215,0.852550268173218,4.66237497329712,2.0,3.05313563346863,0.11800279468298,17.0301761627197,0.0,11.9884386062622,0.225366085767746,0.0,0.286925911903381,0.301487296819687,1.0
InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29,0.40824830532074,5.3898344039917,0.049074936658144,0.281056076288223,0.0,0.136718511581421,1.46000003814697,15.9982585906982,0.131117656826973,189.356582641602,53.310001373291,9.56844902038574,0.251423269510269,13.4438934326172,0.0,0.0322748608887196,0.295053899288177,0.5,0.0,11.9965486526489,0.0,0.0,0.236482247710228,0.0,0.0
InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2,0.0,5.33800506591797,0.0525647662580013,0.0912870913743973,0.0,0.0,1.67999994754791,14.0499544143677,1.69992700471688e-10,260.134246826172,23.7900009155273,3.93962097167969,0.097551591694355,46.7599716186523,0.0,0.0,0.416630834341049,0.0,0.0,11.9530916213989,0.0,0.0,0.261642813682556,0.0,0.0
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,0.666666686534882,9.74158191680908,0.0117880180478096,1.71428573131561,0.0,0.0,1.24000000953674,34.9720077514648,0.239405080676079,272.488403320312,0.0,3.86641407012939,0.20918470621109,13.8313856124878,0.0,0.0,0.354643374681473,0.0,0.0,11.998706817627,0.0,0.0,0.287053763866425,0.0,0.0
InChI%3D1S%2FC2H8N2%2Fc1-3-4-2%2Fh3-4H%2C1-2H3,0.0,5.2450270652771,0.0485108159482479,0.25,0.0,0.0,1.46000003814697,14.0092763900757,0.152767032384872,218.73649597168,24.0599994659424,8.74565601348877,0.0673389583826065,16.9300098419189,0.0,0.0,0.268374055624008,0.0,0.0,11.9938325881958,0.0,2.0,0.193015590310097,0.0,0.0
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,1.80543994903564,13.1256303787231,0.0543951243162155,4.31972551345825,0.861536383628845,3.20492029190063,3.22000002861023,15.9979343414307,0.146292224526405,424.02685546875,66.7600021362305,18.178897857666,0.378451496362686,6.88440275192261,1.0,2.65164566040039,0.159760817885399,25.5196952819824,0.0,11.8500003814697,0.148728296160698,0.0,0.413236081600189,0.193665519356728,0.0
InChI%3D1S%2FC7H8N2O%2Fc8-9-7%2810%296-4-2-1-3-5-6%2Fh1-5H%2C8H2%2C%28H%2C9%2C10%29,0.402368932962418,8.58138084411621,0.0641783028841019,1.15427267551422,0.0589255653321743,0.661759674549103,1.89999997615814,15.9949178695679,0.11577196419239,290.999114990234,58.6100006103516,8.08565616607666,0.099979281425476,10.0262460708618,0.0,0.257582873106003,0.212690487504005,4.74510288238525,0.0,11.8500003814697,0.0320750139653683,0.0,0.231034100055695,0.0160375069826841,0.0
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%2C1H3,1.29794895648956,10.1284475326538,0.0389060638844967,3.32010507583618,0.619346439838409,2.44508051872253,2.77999997138977,15.9959230422974,0.0334999412298203,476.961059570312,40.5400009155273,15.8296909332275,0.167921483516693,5.26808834075928,1.0,1.7175041437149,0.209171205759048,17.9952964782715,0.0,11.8500003814697,0.153896108269691,0.0,0.128086224198341,0.218667790293694,1.0
InChI%3D1S%2FC6H4Cl3N%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2H%2C10H2,0.952529728412628,9.72657775878906,0.035315353423357,1.88746237754822,0.222222223877907,1.37034583091736,1.67999994754791,34.9710578918457,0.00139245903119445,367.682647705078,26.0200004577637,4.97282791137695,0.103236570954323,8.56182765960693,0.0,1.34548366069794,0.175448760390282,5.11154460906982,0.0,11.9985628128052,0.020833333954215,0.0,0.388675272464752,0.0828964710235596,0.0
InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3,0.942809045314789,8.58035278320312,0.0379340387880802,1.88237142562866,0.222222223877907,0.982852399349213,2.33999991416931,14.0030784606934,0.0261723920702934,342.602905273438,26.0200004577637,13.5516910552979,0.0189050417393446,8.63361835479736,0.0,0.882540822029114,0.19353649020195,5.65685415267944,0.0,11.8900003433228,0.020833333954215,0.0,0.330753862857819,0.0745281279087067,0.0
InChI%3D1S%2FC6Cl5NO2%2Fc7-1-2%288%294%2810%296%2812%2813%2914%295%2811%293%281%299,1.4066948890686,11.2744207382202,0.0170113425701857,3.62600493431091,0.206568524241447,2.02002215385437,1.24000000953674,34.9729766845703,0.0132972160354257,449.320861816406,34.1399993896484,3.35599994659424,0.229722589254379,5.79693746566772,2.0,3.18857359886169,0.203607723116875,0.0,0.0,11.9985628128052,0.015625,0.0,0.390542566776276,0.0955731347203255,0.0
InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H,0.40824830532074,8.80775833129883,0.0461459383368492,0.742307484149933,0.0,0.0,1.35000002384186,34.9710578918457,3.76995767936705e-10,387.357543945312,0.0,2.35320711135864,0.0976628810167313,31.9054126739502,0.0,0.0,0.531400680541992,1.0,0.0,11.998706817627,0.0,0.0,0.39484977722168,0.0,0.0
InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2,0.856304705142975,8.9259614944458,0.0485294386744499,2.78131771087646,0.0,1.40377366542816,1.46000003814697,78.91943359375,0.153822928667068,280.836059570312,80.9199981689453,15.6984844207764,0.443036794662476,6.10468912124634,0.0,1.10625565052032,0.114851489663124,3.61440801620483,0.0,11.9988508224487,0.0,0.0,0.204858690500259,0.0,0.0
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%29,1.21787130832672,10.0872745513916,0.0438819229602814,3.06816649436951,0.628175258636475,2.38791012763977,2.89000010490417,15.9949188232422,0.0322378687560558,483.1240234375,32.5900001525879,15.5316905975342,0.134301453828812,12.0270595550537,0.0,1.57566940784454,0.21260978281498,17.9952964782715,0.0,11.8500003814697,0.153896108269691,0.0,0.143305718898773,0.218667790293694,0.0
InChI%3D1S%2FC6H12Cl2O%2Fc1-5%283-7%299-6%282%294-8%2Fh5-6H%2C3-4H2%2C1-2H3,0.577350258827209,8.07851314544678,0.0246433634310961,1.76840019226074,0.0,0.614792108535767,1.78999996185303,34.9701538085938,0.116973154246807,343.878692626953,9.22999954223633,15.8744840621948,0.268622517585754,3.29303669929504,0.0,0.546750724315643,0.0953378081321716,2.30940103530884,0.0,11.9985628128052,0.0,0.0,0.304987967014313,0.0,0.0
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%29,1.34810972213745,9.42023468017578,0.094569280743599,2.87000226974487,0.601661562919617,1.90305685997009,1.35000002384186,16.0,0.0973759442567825,227.411087036133,141.300003051758,22.707311630249,0.764472544193268,3.73283791542053,0.0,1.46273601055145,0.0746685117483139,4.27112150192261,1.0,11.9962921142578,0.115754850208759,2.0,0.264844417572021,0.145443856716156,1.0
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%2C13-14H2,1.27614235877991,9.7813892364502,0.0645157471299171,2.39420700073242,0.350732952356339,1.44647336006165,2.33999991416931,15.9959230422974,0.0299724899232388,307.780456542969,92.5,11.7984838485718,0.153069943189621,7.26809167861938,0.0,0.868088901042938,0.137753054499626,15.0080585479736,0.0,11.8500003814697,0.0481125228106976,0.0,0.151738822460175,0.073350615799427,0.0
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%29,1.10517168045044,8.79890060424805,0.0408666431903839,1.92988407611847,0.117851130664349,1.28148639202118,2.33999991416931,15.998706817627,0.033152848482132,386.220855712891,58.560001373291,22.1185188293457,0.387063324451447,6.61036157608032,1.0,0.541820108890533,0.143079861998558,8.87303447723389,0.0,11.9962186813354,0.0277777779847383,1.0,0.158400312066078,0.0252291187644005,0.0
InChI%3D1S%2FC12H13N3O%2Fc13-8-1-3-9%284-2-8%2916-10-5-6-11%2814%2912%2815%297-10%2Fh1-7H%2C13-15H2,1.16832792758942,8.73480319976807,0.059923205524683,2.17405438423157,0.326454192399979,1.28828120231628,2.33999991416931,15.9949188232422,0.0626238510012627,408.356964111328,87.2900009155273,14.1476907730103,0.167521744966507,2.97375106811523,0.0,0.60065895318985,0.0862710773944855,12.8742036819458,0.0,11.8500003814697,0.0518340393900871,0.0,0.138928964734077,0.0649764463305473,0.0
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,1.60947573184967,9.7629337310791,,3.85741233825684,0.536491930484772,2.19124722480774,2.11999988555908,34.9720077514648,,,18.4599990844727,9.88482761383057,0.523164927959442,,0.0,1.77332270145416,,12.8930206298828,0.0,11.9985237121582,0.0520833320915699,0.0,,0.152568072080612,0.0
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%2920,4.49102544784546,16.7201957702637,0.0315180346369743,15.3058862686157,10.947527885437,13.9175109863281,1.35000002384186,34.9779205322266,0.254115641117096,662.022033691406,17.0699996948242,5.15799999237061,0.650667309761047,7.71003532409668,1.0,44.4492645263672,0.125341817736626,0.0,0.0,11.9985313415527,3.82886695861816,0.0,0.342923402786255,11.9094018936157,0.0
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%29,3.35184407234192,10.7343349456787,0.0416831634938717,5.6122579574585,0.194434314966202,3.18227863311768,3.66000008583069,16.0066566467285,0.0604566000401974,669.789184570312,93.0599975585938,42.9170379638672,0.661913633346558,0.835242569446564,2.0,2.63524985313416,0.101643837988377,19.7639865875244,0.0,11.9883632659912,0.0561312772333622,0.0,0.120173774659634,0.0477074943482876,0.0
InChI%3D1S%2FC7H9N%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C8H2%2C1H3,0.471404522657394,8.04589366912842,0.0409392006695271,1.18846142292023,0.16666667163372,0.586787641048431,2.11999988555908,14.0090999603271,0.0174471009522676,295.253753662109,26.0200004577637,9.17886257171631,0.0158196594566107,15.4239826202393,0.0,0.323895931243896,0.207780539989471,4.29827976226807,0.0,11.9935121536255,0.0277777779847383,0.0,0.414966344833374,0.0438152849674225,0.0
InChI%3D1S%2FC7H5Cl2NO2%2Fc8-3-1-4%287%2811%2912%296%289%295%2810%292-3%2Fh1-2H%2C10H2%2C%28H%2C11%2C12%29,1.18624353408813,9.81963443756104,0.0412323027849197,1.93597447872162,0.198741674423218,1.18255412578583,1.67999994754791,34.9701538085938,0.0239030104130507,296.068695068359,63.3199996948242,6.60403490066528,0.272572845220566,8.89704895019531,1.0,1.09116661548615,0.24678273499012,5.67623996734619,0.0,11.9985513687134,0.020833333954215,0.0,0.38346791267395,0.0696903541684151,0.0
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H,0.471404522657394,6.95473098754883,0.0664862468838692,0.881731867790222,0.16666667163372,0.464163094758987,1.89999997615814,15.9982585906982,1.66244802812798e-07,187.46826171875,40.4599990844727,6.559241771698,0.121545106172562,13.246940612793,,0.16243277490139,0.244030743837357,4.29827976226807,0.0,11.9963550567627,0.0277777779847383,,0.442321747541428,0.0248451996594667,
InChI%3D1S%2FC6H7N3O2%2Fc7-4-1-2-5%288%296%283-4%299%2810%2911%2Fh1-3H%2C7-8H2,0.993793487548828,8.16389083862305,0.0493197441101074,1.25118947029114,0.175366476178169,0.718813240528107,1.57000005245209,16.0168724060059,0.00222203810699284,298.712890625,86.1800003051758,7.58844900131226,0.0961242616176605,7.04897975921631,2.0,0.44450169801712,0.152903541922569,5.85380077362061,0.0,11.9989995956421,0.0240562614053488,0.0,0.354972332715988,0.0385360643267632,0.0
InChI%3D1S%2FC7H9N3O%2Fc8-7%2811%2910-9-6-4-2-1-3-5-6%2Fh1-5%2C9H%2C%28H3%2C8%2C10%2C11%29,0.61237245798111,8.39475631713867,0.0717580243945122,1.09902834892273,0.0721687823534012,0.652855813503265,1.78999996185303,15.9949178695679,0.0477539524435997,286.100616455078,68.1399993896484,9.83886337280273,0.143486276268959,8.68760585784912,0.0,0.166254609823227,0.173533409833908,3.58146524429321,0.0,11.8500003814697,0.0320750139653683,2.0,0.183935269713402,0.0160375069826841,0.0
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%29,0.674534440040588,9.06374835968018,0.0566052198410034,1.77726233005524,0.329943060874939,1.17343592643738,1.35000002384186,15.9949188232422,0.0370914563536644,326.226409912109,84.2300033569336,14.3236560821533,0.320334553718567,2.57275056838989,1.0,0.745739877223969,0.12629446387291,2.62074136734009,2.00685381889343,11.9945430755615,0.0562950782477856,2.0,0.292948096990585,0.0619459673762321,1.0
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%29,2.07798218727112,,0.0440037623047829,3.80561757087708,0.550861835479736,2.55776834487915,2.23000001907349,,0.111143797636032,463.021270751953,,21.5064830780029,0.746505558490753,0.440504640340805,4.0,1.73463225364685,0.126748040318489,15.4732446670532,0.534522473812103,,0.0763120427727699,0.0,0.184717401862144,0.127887472510338,0.0
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3,0.288675129413605,6.81850528717041,0.0388669446110725,0.682377934455872,0.0,0.0707106813788414,1.67999994754791,16.0009727478027,0.117811068892479,263.304656982422,32.5900001525879,9.83886337280273,0.0238622296601534,15.8710479736328,0.0,0.0707106813788414,0.483215779066086,1.0,0.0,11.9989995956421,0.0,0.0,0.273506462574005,0.0,0.0
InChI%3D1S%2FC9H11NO2%2Fc1-2-12-8-6-4-3-5-7%288%299%2810%2911%2Fh3-6H%2C2H2%2C1H3%2C%28H2%2C10%2C11%29,0.636082768440247,9.01569557189941,0.0496145747601986,1.4420211315155,0.107038088142872,0.943641483783722,2.11999988555908,15.9982604980469,0.0481715463101864,317.989410400391,53.310001373291,13.941276550293,0.244370818138123,2.48039579391479,0.0,0.477492660284042,0.18167807161808,6.5518536567688,0.0,11.9962692260742,0.0277777779847383,0.0,0.364390850067139,0.0252291187644005,0.0
InChI%3D1S%2FC8H13NO2%2Fc1-9-5-3-4-7%286-9%298%2810%2911-2%2Fh4H%2C3%2C5-6H2%2C1-2H3,0.6910440325737,8.79600811004639,0.0386428534984589,1.78940272331238,0.131445854902267,1.17254662513733,2.00999999046326,15.9959192276001,0.0789771005511284,316.481903076172,,19.0656909942627,0.376165568828583,4.32840538024902,1.0,0.67358535528183,0.294728338718414,3.94154000282288,0.0,11.9944725036621,0.0456435456871986,0.0,0.19013786315918,0.0684653222560883,1.0
InChI%3D1S%2FC8H10N2S%2Fc1-2-7-5-6%288%289%2911%293-4-10-7%2Fh3-5H%2C2H2%2C1H3%2C%28H2%2C9%2C11%29,0.70412415266037,9.96507358551025,0.0415077768266201,1.71044015884399,0.107038088142872,0.957914292812347,2.00999999046326,31.972677230835,0.0901365578174591,327.458099365234,75.5400009155273,14.5320701599121,0.118569627404213,11.6501455307007,0.0,0.567628145217896,0.230515018105507,6.4474196434021,0.0,11.9984741210938,0.0215165745466948,0.0,0.239678934216499,0.0259728021919727,0.0
InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H,0.61237245798111,9.02811431884766,0.0338557995855808,2.03517818450928,0.19001992046833,1.29377436637878,2.45000004768372,15.9949188232422,0.0541460253298283,461.013916015625,41.4599990844727,12.55006980896,0.073395237326622,2.68104219436646,1.0,0.454688489437103,0.157541796565056,10.1704950332642,0.0,11.8500003814697,0.0598527938127518,1.0,0.167931318283081,0.0423489958047867,0.0
InChI%3D1S%2FC6H7ClN2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H%2C8-9H2,0.760079681873322,8.60813617706299,0.0525687262415886,1.28393113613129,0.20412415266037,0.726155757904053,1.78999996185303,34.9688529968262,0.00261615868657827,299.295166015625,52.0400009155273,6.75244903564453,0.0605827607214451,7.45477485656738,0.0,0.461769163608551,0.150138646364212,5.85380077362061,0.0,11.9935512542725,0.0240562614053488,0.0,0.42187163233757,0.0550550147891045,0.0
InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3,0.5,7.84538078308105,0.0218971818685532,1.0364955663681,0.0,0.583597242832184,1.78999996185303,16.0168704986572,0.0875485837459564,376.561370849609,34.1399993896484,13.2812767028809,0.0521444082260132,10.8284378051758,2.0,0.297906488180161,0.208365708589554,2.38110160827637,0.0,11.9989995956421,0.0,0.0,0.201536357402802,0.0,0.0
InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2,0.20412415266037,5.44575548171997,0.0658017620444298,0.439337313175201,0.0,0.105409257113934,1.57000005245209,15.9977836608887,0.124294184148312,219.441909790039,32.7599983215332,8.47524166107178,0.277053087949753,26.8426666259766,0.0,0.0,0.275024473667145,2.0,0.0,11.9970207214355,0.0,0.0,0.170127391815186,0.0,0.0
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%2C1-4H3,2.3577835559845,12.2281122207642,0.031591210514307,6.93497276306152,0.516591250896454,5.06989574432373,3.54999995231628,15.9997577667236,0.11262684315443,599.147094726562,72.8300018310547,45.1034507751465,0.620561122894287,5.00157833099365,2.0,3.91983461380005,0.117290712893009,26.1195201873779,0.0,11.996636390686,0.105379417538643,0.0,0.398565471172333,0.245634317398071,0.0
InChI%3D1S%2FC6H4F4N2%2Fc7-1-2%288%295%2811%294%2810%296%2812%293%281%299%2Fh11-12H2,1.15470051765442,7.48176908493042,0.0617574416100979,1.33128607273102,0.222222223877907,0.670612394809723,1.46000003814697,19.0020370483398,0.00189496984239668,198.156051635742,52.0400009155273,7.86482810974121,0.349991887807846,4.18724060058594,0.0,0.608342826366425,0.140734255313873,0.0,0.0,11.9975233078003,0.015625,0.0,0.38350522518158,0.0416649766266346,0.0
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,1.20511829853058,8.25090026855469,0.0192850716412067,1.60023438930511,0.146608799695969,0.908044517040253,1.57000005245209,16.0169982910156,0.0228453148156404,394.716217041016,68.2799987792969,9.0712423324585,0.115718580782413,8.66079711914062,,0.643627762794495,0.202244848012924,5.85380077362061,0.0,11.9989995956421,0.0240562614053488,,0.324716061353683,0.0455728359520435,
InChI%3D1S%2FC5H8%2Fc1-4-5%282%293%2Fh4H%2C1-2H2%2C3H3,0.40824830532074,7.23342752456665,0.0301230512559414,0.348461717367172,0.0,0.0,2.00999999046326,12.1100559234619,0.0280466750264168,360.201446533203,0.0,8.74565601348877,0.00146101729478687,6.08793878555298,0.0,0.0,0.171055272221565,1.0,0.0,11.8900003433228,0.0,0.0,0.380312919616699,0.0,0.0
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%29,1.36557853221893,11.2746505737305,0.0573564767837524,3.21336913108826,0.214363172650337,2.22429800033569,2.55999994277954,34.9688529968262,0.104281790554523,391.914916992188,65.1800003051758,15.0852766036987,0.37039378285408,7.99811172485352,0.0,1.33400309085846,0.129583105444908,17.0809097290039,0.0,11.8500003814697,0.0561312772333622,0.0,0.325530081987381,0.0661011636257172,0.0
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,0.288675129413605,7.11350584030151,0.0442416183650494,1.02604758739471,0.0,0.649519026279449,1.67999994754791,14.0082683563232,0.191219091415405,285.568389892578,25.7800006866455,12.2520704269409,0.126900359988213,4.8187837600708,0.0,0.216506347060204,0.193905726075172,1.0,0.0,11.9946517944336,0.0721687823534012,2.0,0.244505882263184,0.0,0.0
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%2C1H3,0.68014669418335,10.8809442520142,0.0376546159386635,3.36460781097412,0.117851130664349,2.48328709602356,2.67000007629395,15.9959230422974,0.14408452808857,432.87646484375,,24.3049335479736,0.349337607622147,3.46099805831909,1.0,1.33257591724396,0.198366895318031,12.4115562438965,0.0,11.9943561553955,0.10424380004406,1.0,0.377152651548386,0.0601851865649223,0.0
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,1.33502495288849,8.39773941040039,0.0416450649499893,1.21125984191895,0.0,0.517270445823669,1.12999999523163,34.970157623291,0.0778584852814674,376.37939453125,54.5699996948242,22.6784496307373,0.62253075838089,3.13664197921753,1.0,0.386088639497757,0.363705605268478,1.0,0.0,11.9985990524292,0.0,0.0,0.34768483042717,0.0,0.0
InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3,0.70412415266037,11.7190961837769,0.0469124093651772,1.93882322311401,0.267528623342514,1.18412029743195,1.67999994754791,126.904472351074,0.189186230301857,280.863159179688,38.689998626709,19.4472770690918,0.448450475931168,11.2914743423462,0.0,0.96075040102005,0.173536017537117,2.94168281555176,0.0,11.9963550567627,0.050458237528801,0.0,0.280239075422287,0.108646027743816,0.0
InChI%3D1S%2FC6H6O4%2Fc7-2-4-1-5%288%296%289%293-10-4%2Fh1%2C3%2C7%2C9H%2C2H2,0.675528645515442,7.39882612228394,0.0649957358837128,1.49394929409027,0.184195280075073,0.856784701347351,1.67999994754791,15.9989624023438,0.199263215065002,168.674270629883,66.7600021362305,13.8060703277588,0.506349146366119,3.60753035545349,1.0,0.445083528757095,0.146140590310097,5.41988611221313,0.0,11.9968357086182,0.0340206921100616,0.0,0.250738531351089,0.0531596653163433,0.0
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%29,1.00236427783966,11.9546918869019,0.0532801747322083,3.00131630897522,0.244569525122643,2.04045033454895,2.33999991416931,15.9959230422974,0.154535219073296,324.451446533203,65.1800003051758,17.9448986053467,0.32059434056282,4.03751707077026,0.0,2.14442944526672,0.13725620508194,7.9133334159851,0.0,11.8500003814697,0.0497526861727238,0.0,0.278508692979813,0.0531877316534519,0.0
InChI%3D1S%2FC7H5Cl3%2Fc8-7%289%2C10%296-4-2-1-3-5-6%2Fh1-5H,1.51036298274994,11.6391286849976,0.0274870451539755,1.75576961040497,0.0510310381650925,1.0050995349884,1.89999997615814,34.9710578918457,0.0459828823804855,369.41259765625,0.0,6.72603511810303,0.125463396310806,9.53735637664795,0.0,1.47436606884003,0.469980090856552,3.04182171821594,0.0,11.9985513687134,0.0320750139653683,0.0,0.321425676345825,0.0160375069826841,0.0
InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,0.577350258827209,5.17695713043213,0.0724170431494713,0.0,0.0,0.0,1.46000003814697,15.9979419708252,0.0597096048295498,159.299072265625,44.0800018310547,5.46603488922119,0.0965122357010841,18.142635345459,0.0,0.0,0.346942931413651,0.0,0.0,11.9966878890991,0.0,0.0,0.262159526348114,0.0,0.0
InChI%3D1S%2FC2H8N2O%2Fc3-4-1-2-5%2Fh4-5H%2C1-3H2,0.0,5.73975563049316,0.0771599933505058,0.256140977144241,0.0,0.0645497217774391,1.35000002384186,15.9979429244995,0.0754562839865685,247.580703735352,58.2799987792969,7.42565584182739,0.123426102101803,19.945140838623,0.0,0.0,0.227306678891182,0.0,0.0,11.9966878890991,0.0,1.0,0.177975296974182,0.0,0.0
InChI%3D1S%2FC6H8O%2Fc1-2-3-4-5-6-7%2Fh2-6H%2C1H3,0.0,6.97365760803223,0.0481030382215977,0.493239730596542,0.0,0.220622062683105,2.00999999046326,16.0059242248535,0.0154648581519723,328.497009277344,17.0699996948242,9.70365619659424,0.139346495270729,30.3017425537109,1.0,0.0,0.245679840445518,0.0,0.0,11.9886989593506,0.0,0.0,0.153753161430359,0.0,0.0
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%2C1H2,2.89746475219727,15.5097017288208,0.0166416149586439,10.0797109603882,3.69101715087891,8.34370040893555,2.00999999046326,34.9739608764648,0.219552531838417,454.887329101562,12.5299997329712,13.1816558837891,0.419459044933319,9.57530784606934,0.0,17.6573753356934,0.181461408734322,4.0,0.0,11.9985237121582,1.21997487545013,0.0,0.231829643249512,3.18710446357727,0.0
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,1.35512804985046,12.4378805160522,0.0228116661310196,3.33669304847717,0.262891709804535,2.30640721321106,2.55999994277954,34.9720077514648,0.171665206551552,604.75390625,0.0,10.4256563186646,0.107385769486427,10.674241065979,0.0,1.83879125118256,0.206479996442795,17.8274536132812,0.0,11.9985179901123,0.0555555559694767,0.0,0.17200779914856,0.0907718539237976,0.0
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%29,1.69935870170593,12.058536529541,0.0343002304434776,3.76006984710693,0.0897791907191277,2.68220210075378,2.23000001907349,31.9720726013184,0.142959550023079,400.141906738281,83.0599975585938,30.1849327087402,0.399450480937958,5.62824869155884,3.0,2.18480658531189,0.182953238487244,7.83986806869507,0.0,11.9962062835693,0.0277777779847383,0.0,0.291940808296204,0.0379752777516842,1.0
InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3,0.288675129413605,5.21050453186035,0.0362289361655712,0.333333343267441,0.0,0.0,1.67999994754791,15.9974164962769,0.115307681262493,190.318206787109,12.5299997329712,8.47524166107178,0.174877882003784,34.7620849609375,0.0,0.0,0.192297324538231,1.0,0.0,11.9970207214355,0.0,0.0,0.220621302723885,0.0,0.0
InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3%2C5-8H%2C1%2C4H2%2C2H3,0.40824830532074,8.6657886505127,0.0400303304195404,1.53909397125244,0.117851130664349,0.928285896778107,2.45000004768372,15.9979438781738,0.0532865896821022,392.581207275391,9.22999954223633,15.0344839096069,0.153706252574921,8.61048984527588,0.0,0.374536633491516,0.0980195105075836,7.00378656387329,0.0,11.9962491989136,0.0277777779847383,0.0,0.132902726531029,0.0309820845723152,0.0
InChI%3D1S%2FC6H12N2%2Fc1-3-5-7-8-6-4-2%2Fh3-4%2C7-8H%2C1-2%2C5-6H2,0.0,6.87429809570312,0.0448506399989128,0.617799282073975,0.0,0.288675129413605,1.89999997615814,14.0040798187256,0.0820328295230865,415.095245361328,24.0599994659424,13.118483543396,0.0685958787798882,3.15666151046753,0.0,0.0,0.163795292377472,0.0,0.0,11.789999961853,0.0,2.0,0.139199659228325,0.0,0.0
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%2C1-2H3,4.60733795166016,14.961874961853,0.038646187633276,10.8157520294189,2.13546872138977,9.58610534667969,3.44000005722046,16.0063915252686,0.074458934366703,394.2353515625,230.119995117188,27.8825531005859,1.00753128528595,2.07458782196045,4.0,11.7946004867554,0.0510170608758926,9.4207944869995,0.0,11.9961137771606,0.451509565114975,0.0,0.130990982055664,1.11588370800018,0.0
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%29,1.5618349313736,8.71062088012695,0.0562493391335011,2.44205474853516,0.107038088142872,1.28039717674255,1.89999997615814,16.0000019073486,0.0273144543170929,311.952178955078,145.240005493164,18.3141040802002,0.549073815345764,4.1327691078186,2.0,0.537046194076538,0.120889738202095,10.774712562561,0.0,11.9962186813354,0.0277777779847383,1.0,0.180836230516434,0.0277777779847383,0.0
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%2C1H3,1.66637456417084,11.7646942138672,0.0391720421612263,3.59878826141357,0.25,2.27206492424011,2.67000007629395,34.969856262207,0.14651882648468,537.403747558594,46.5299987792969,19.0188980102539,0.428665369749069,3.96062254905701,1.0,1.81020605564117,0.188046604394913,15.5791988372803,0.0,11.8500003814697,0.0555555559694767,0.0,0.34446394443512,0.0907718539237976,0.0
InChI%3D1S%2FC12H5Cl5%2Fc13-8-3-1-2-6%2810%288%2915%297-4-5-9%2814%2912%2817%2911%287%2916%2Fh1-5H,1.32092034816742,11.8445825576782,0.0201673842966557,4.38945341110229,0.374108165502548,2.48529291152954,2.23000001907349,34.9729766845703,0.114766448736191,473.622161865234,0.0,7.56603479385376,0.142714470624924,9.13105201721191,0.0,2.89048099517822,0.141034826636314,12.614465713501,0.0,11.9985237121582,0.0448895953595638,0.0,0.144430130720139,0.147867605090141,0.0
InChI%3D1S%2FC2H5N%2Fc1-2-3-1%2Fh3H%2C1-2H2,0.0,4.61493253707886,0.0434228368103504,0.0,0.0,0.0,1.57000005245209,14.0080547332764,0.183501198887825,173.941635131836,21.9400005340576,6.12603521347046,0.0693461298942566,28.1565246582031,0.0,0.0,0.389146417379379,0.0,0.0,11.9948453903198,0.0,1.0,0.334103226661682,0.0,0.0
InChI%3D1S%2FC3H5Cl%2Fc1-2-3-4%2Fh2-3H%2C1H3,0.0,6.49442768096924,0.0240989364683628,0.377964466810226,0.0,0.0,1.67999994754791,34.9693794250488,0.0559777580201626,325.136108398438,0.0,5.88603496551514,0.0276564415544271,42.6473045349121,0.0,0.0,0.3219895362854,0.0,0.0,11.9986352920532,0.0,0.0,0.227790370583534,0.0,0.0
InChI%3D1S%2FC3H5ClO%2Fc1-3%284%292-5%2Fh2-3H%2C1H3,0.40824830532074,7.23200225830078,0.0453395955264568,0.290386110544205,0.0,0.0,1.57000005245209,34.9688529968262,0.191415309906006,253.186019897461,17.0699996948242,6.84403514862061,0.191449820995331,31.2694664001465,1.0,0.0,0.286625176668167,1.0,0.0,11.9888439178467,0.0,0.0,0.254026651382446,0.0,0.0
InChI%3D1S%2FC5H10N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H2,0.20412415266037,7.06577014923096,0.0263627637177706,1.44792556762695,0.0721687823534012,0.95886468887329,1.67999994754791,15.9949169158936,0.146192952990532,340.584564208984,32.6699981689453,12.55006980896,0.0583950057625771,1.30201923847198,1.0,0.207735031843185,0.107013434171677,0.0,1.0,11.8999996185303,0.079056940972805,0.0,0.375551581382751,0.0353553406894207,1.0
InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2,1.02923774719238,11.133002281189,0.0341254360973835,7.19453144073486,2.00969266891479,5.42447853088379,1.57000005245209,31.9720726013184,0.162638619542122,392.221221923828,50.9300003051758,25.3984832763672,0.229506134986877,0.749266088008881,0.0,6.78556060791016,0.157511442899704,0.0,0.0,11.8999996185303,1.13841998577118,0.0,0.418650835752487,3.33132171630859,3.0
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%29,2.16528463363647,9.812894821167,0.034675519913435,3.49818754196167,0.23848395049572,1.88724064826965,2.89000010490417,34.9688529968262,0.0592423900961876,520.355041503906,46.5299987792969,21.8785190582275,0.40036728978157,2.11956405639648,1.0,1.28462183475494,0.182699471712112,15.3864774703979,0.0,11.9961700439453,0.0555555559694767,0.0,0.106226481497288,0.0789166688919067,0.0
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,0.0,5.86817216873169,0.0275636222213507,0.0,0.0,0.0,1.57000005245209,34.9693794250488,7.51464002135549e-10,323.893341064453,0.0,3.69962096214294,0.0278811901807785,52.8239517211914,0.0,0.0,0.369666755199432,0.0,0.0,11.998706817627,0.0,0.0,0.341080158948898,0.0,0.0
InChI%3D1S%2FC2H5Cl%2Fc1-2-3%2Fh2H2%2C1H3,0.0,5.83542585372925,0.0203579589724541,0.0,0.0,0.0,1.57000005245209,34.9693794250488,0.178759664297104,305.09375,0.0,5.88603496551514,0.0441656224429607,60.348316192627,0.0,0.0,0.226532354950905,0.0,0.0,11.998706817627,0.0,0.0,0.263882428407669,0.0,0.0
InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3,0.0,6.99242544174194,0.0179837234318256,0.0,0.0,0.0,1.57000005245209,78.9185180664062,0.17565755546093,310.705841064453,0.0,6.75603485107422,0.0293095912784338,63.0193099975586,0.0,0.0,0.234540984034538,0.0,0.0,11.9989070892334,0.0,0.0,0.283678025007248,0.0,0.0
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%2B1,1.15082406997681,9.4895658493042,0.0622521042823792,2.61842560768127,0.334931492805481,1.76062476634979,2.00999999046326,15.9969272613525,0.127244159579277,309.598327636719,,18.3141040802002,0.340355277061462,6.09434223175049,0.0,1.00985062122345,0.114248722791672,8.36483192443848,1.0,11.8500003814697,0.0887164399027824,1.0,0.305227398872375,0.0786565616726875,1.0
InChI%3D1S%2FC7H9N%2Fc1-6-3-2-4-7%288%295-6%2Fh2-5H%2C8H2%2C1H3,0.577350258827209,7.77341508865356,0.0452073104679585,1.04212951660156,0.16666667163372,0.670121014118195,2.11999988555908,14.003077507019,0.0160216111689806,345.259307861328,26.0200004577637,9.17886257171631,0.0166525710374117,19.928783416748,0.0,0.335636228322983,0.208133935928345,5.11154460906982,0.0,11.8500003814697,0.0277777779847383,0.0,0.342672973871231,0.0438152849674225,0.0
InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3,0.40824830532074,8.06100273132324,0.025795491412282,0.98780071735382,0.0,0.0,1.57000005245209,34.9701538085938,0.155418887734413,327.360015869141,0.0,7.39924192428589,0.0941488593816757,30.8166656494141,0.0,0.0,0.199925646185875,1.0,0.0,11.9986352920532,0.0,0.0,0.247291997075081,0.0,0.0
InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,0.98559856414795,8.46330738067627,0.0552628003060818,1.99590170383453,0.284517794847488,1.20782077312469,2.45000004768372,15.9949188232422,0.0591076985001564,391.803100585938,61.2700004577637,13.7144842147827,0.147786676883698,3.51387310028076,0.0,0.456324309110641,0.103372484445572,12.3619976043701,0.0,11.8500003814697,0.0555555559694767,0.0,0.108455687761307,0.054755475372076,0.0
InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H,0.20412415266037,7.6498818397522,0.0483360588550568,0.935655236244202,0.0721687823534012,0.531606316566467,2.11999988555908,15.9949159622192,1.96951518205424e-07,311.317077636719,17.0699996948242,7.51724195480347,0.137378633022308,24.0308990478516,,0.14158596098423,0.255588263273239,3.96540641784668,0.0,11.8500003814697,0.0320750139653683,,0.361415714025497,0.0185185186564922,
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%2C1-3H2,2.72565174102783,16.3920059204102,0.0150026073679328,9.730149269104,2.1923816204071,7.54607057571411,1.67999994754791,34.9759330749512,0.23160357773304,491.084106445312,0.0,12.105655670166,0.390820860862732,6.32437372207642,0.0,20.5641345977783,0.163230746984482,2.0800838470459,0.0,11.9985313415527,0.590085685253143,0.0,0.310774445533752,2.27311015129089,0.0
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%2C2-3H3,2.56876659393311,12.5465898513794,0.0332615599036217,7.97078561782837,1.03485023975372,6.85861444473267,3.54999995231628,16.0061473846436,0.111328281462193,539.719299316406,43.3699989318848,34.4417953491211,0.396180242300034,0.643160045146942,2.0,8.05725002288818,0.166522175073624,22.7578048706055,0.0,11.988395690918,0.368305385112762,0.0,0.209650978446007,0.773914039134979,0.0
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%29,0.78147441148758,9.25635623931885,0.0413937643170357,1.46000862121582,0.184195280075073,1.08458745479584,1.78999996185303,31.972677230835,0.0482924170792103,309.175048828125,84.8099975585938,15.8520698547363,0.214425042271614,12.4947118759155,0.0,0.562226474285126,0.219496220350266,4.24583578109741,0.0,11.9984836578369,0.0144337564706802,0.0,0.263509333133698,0.0360260978341103,0.0
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%2C1-6H3,1.5391491651535,8.89439105987549,0.0245536342263222,6.38438177108765,0.0,3.74768924713135,3.54999995231628,30.973762512207,0.102783024311066,700.925170898438,54.5699996948242,69.9395599365234,0.549830913543701,0.968672931194305,1.0,1.67810106277466,0.212210521101952,10.8426628112793,0.0,11.8900003433228,0.0,0.0,0.245367661118507,0.0,0.0
InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3,0.696923434734344,7.50366020202637,0.0313056372106075,0.937087059020996,0.0,0.544130742549896,2.11999988555908,15.9959182739258,0.0867909416556358,350.500427246094,26.2999992370605,18.178897857666,0.273057341575623,3.75179624557495,1.0,0.282820582389832,0.289350479841232,2.70160007476807,0.0,11.8900003433228,0.0,0.0,0.158601507544518,0.0,0.0
InChI%3D1S%2FC10H9Cl7%2Fc1-4-6%282%2C3%298%2813%295%2811%297%284%2C12%299%2814%2C15%2910%288%2C16%2917%2Fh5H%2C1H2%2C2-3H3,3.64054441452026,15.9030141830444,0.0107792569324374,9.7920207977295,2.29086518287659,6.67425060272217,1.78999996185303,34.9749450683594,0.251757442951202,434.693908691406,0.0,12.778862953186,0.346211612224579,6.08212614059448,0.0,23.1522674560547,0.19543331861496,0.0,0.0,11.9985313415527,0.594636619091034,0.0,0.305354416370392,2.39115405082703,0.0
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%2C1H2,2.80291223526001,15.8327598571777,0.014607104472816,9.79196166992188,2.45943522453308,7.46047782897949,1.67999994754791,34.9759330749512,0.227212384343147,542.175415039062,0.0,9.9192419052124,0.342368513345718,7.50432395935059,0.0,17.654426574707,0.191200703382492,3.14734530448914,0.0,11.9985313415527,0.810432255268097,0.0,0.290765374898911,2.47151970863342,0.0
InChI%3D1S%2FC12H9N%2Fc1-3-7-11-9%285-1%2910-6-2-4-8-12%2810%2913-11%2Fh1-8%2C13H,0.605498850345612,9.76390075683594,0.0424988716840744,2.41363930702209,0.606913268566132,1.79905605316162,2.67000007629395,14.003080368042,0.000681884062942117,359.527709960938,12.8900003433228,10.4988632202148,0.0349450334906578,4.19257974624634,0.0,1.06618571281433,0.193317487835884,13.1604700088501,0.0,11.8500003814697,0.127724334597588,0.0,0.259394556283951,0.159722223877907,0.0
InChI%3D1S%2FC13H11ClO%2Fc14-12-6-7-13%2815%2911%289-12%298-10-4-2-1-3-5-10%2Fh1-7%2C9%2C15H%2C8H2,0.89516818523407,9.8032293319702,0.0453345775604248,2.51403856277466,0.256364077329636,1.70614719390869,2.67000007629395,34.9688529968262,0.0920857191085815,386.626495361328,20.2299995422363,12.4452772140503,0.0822494700551033,6.7725133895874,0.0,0.890861690044403,0.230868622660637,13.483832359314,0.0,11.8500003814697,0.0561312772333622,0.0,0.239533975720406,0.0777263268828392,0.0
InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,0.6910440325737,8.20251178741455,0.0458852164447308,1.3852037191391,0.184195280075073,0.853774070739746,2.11999988555908,15.9949169158936,0.0196996238082647,322.658386230469,35.25,13.2812767028809,0.1712396889925,4.94607639312744,0.0,0.529958724975586,0.144185394048691,5.85380077362061,0.0,11.9934787750244,0.0240562614053488,0.0,0.288068681955338,0.0477660782635212,0.0
InChI%3D1S%2FC4H8N2O%2Fc1-3-5-6%282%294-7%2Fh3-4H%2C1-2H3,0.288675129413605,6.81088018417358,0.0574260540306568,0.450156480073929,0.0,0.209353268146515,1.57000005245209,16.0059261322021,0.0365414395928383,230.084320068359,32.6699981689453,11.6836557388306,0.243262007832527,19.1566905975342,1.0,0.093883216381073,0.316717892885208,0.0,1.0,11.988787651062,0.0,0.0,0.230119973421097,0.0,1.0
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,0.0,5.7985143661499,0.0361311547458172,0.82735025882721,0.0,0.510310351848602,1.78999996185303,15.9974174499512,0.146238893270493,274.131561279297,9.22999954223633,10.6616563796997,0.168022021651268,22.9279670715332,0.0,0.0,0.129341155290604,0.0,0.0,11.9969358444214,0.0,0.0,0.353749662637711,0.0,0.0
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%2C1H3,1.07653844356537,11.2287511825562,0.0378778204321861,4.06157636642456,0.63146436214447,2.87698173522949,3.10999989509583,15.9959259033203,0.1201998218894,544.867126464844,40.6199989318848,26.4201393127441,0.333959251642227,6.76586246490479,2.0,1.6854362487793,0.149024114012718,18.2539119720459,0.0,11.8500003814697,0.137000188231468,0.0,0.276735723018646,0.149133294820786,2.0
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%29,4.316565990448,12.1747999191284,0.0516949519515038,5.21145153045654,0.469878643751144,3.4562087059021,2.23000001907349,31.9730739593506,0.0414577387273312,567.308654785156,166.960006713867,32.0613136291504,0.606836438179016,3.62420320510864,5.0,2.79015517234802,0.120577126741409,18.0072765350342,0.0,11.8500003814697,0.0661547183990479,1.0,0.326706558465958,0.158829405903816,0.0
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%29,1.04433107376099,8.86913108825684,0.0529831349849701,1.61036562919617,0.243120849132538,1.02552545070648,1.35000002384186,16.0059280395508,0.110458329319954,355.810424804688,17.0699996948242,18.9028987884521,0.41605669260025,2.43093061447144,1.0,0.594139099121094,0.139759227633476,1.31037068367004,1.59054148197174,11.988697052002,0.0558150969445705,2.0,0.255301415920258,0.0539997443556786,1.0
InChI%3D1S%2FC10H12O2%2Fc1-3-10%2811%298-4-6-9%2812-2%297-5-8%2Fh3-7%2C10-11H%2C1H2%2C2H3,0.606493055820465,8.90103912353516,0.0482072606682777,1.68058359622955,0.107038088142872,0.937170565128326,2.33999991416931,15.9982604980469,0.0938184633851051,337.751373291016,29.4599990844727,15.0344839096069,0.235021412372589,9.91032886505127,0.0,0.491834759712219,0.196094557642937,8.42163562774658,0.0,11.9962491989136,0.0277777779847383,0.0,0.145740032196045,0.027377737686038,0.0
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%29,1.01474142074585,9.11466121673584,0.0426576733589172,2.10518312454224,0.107038088142872,1.30994391441345,2.33999991416931,15.9949188232422,0.0878630131483078,435.485992431641,53.1599998474121,22.3889331817627,0.240192621946335,8.98528575897217,1.0,0.650233328342438,0.16689071059227,8.42557334899902,0.0,11.8900003433228,0.0277777779847383,3.0,0.113470673561096,0.0335307456552982,0.0
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%2C1-2H3,0.666666686534882,9.76204872131348,0.0384317636489868,3.85796165466309,0.312285453081131,2.53094530105591,3.0,15.9989385604858,0.0672890469431877,595.342407226562,46.1500015258789,42.3762092590332,0.837394177913666,1.75804543495178,0.0,1.02304577827454,0.07382932305336,11.9529457092285,0.0,11.8900003433228,0.0548540242016315,0.0,0.222013667225838,0.0733043998479843,0.0
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%2C1-4H3,0.98559856414795,9.01786708831787,0.0283766184002161,5.05840015411377,0.0,2.90082335472107,3.44000005722046,15.9979372024536,0.168879434466362,583.419555664062,52.5999984741211,51.6626930236816,0.536209285259247,0.599798440933228,2.0,1.02661406993866,0.13330814242363,12.4563493728638,0.0,11.8900003433228,0.0,0.0,0.326952368021011,0.0,0.0
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%2C1-2H3,1.27614235877991,10.0765161514282,0.0442927740514278,2.87293410301208,0.350732952356339,1.71052324771881,2.77999997138977,14.0040884017944,0.0386319272220135,438.131713867188,52.0400009155273,16.1713123321533,0.0316393189132214,8.4849500656128,0.0,1.19862878322601,0.115643985569477,15.0080585479736,0.0,11.8500003814697,0.0481125228106976,0.0,0.162701234221458,0.0999465584754944,0.0
InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3,0.288675129413605,6.08470726013184,0.0355875007808208,0.453263133764267,0.0,0.201184466481209,1.78999996185303,15.9959173202515,0.0295267812907696,305.200988769531,26.2999992370605,11.6196556091309,0.272876739501953,4.36751317977905,1.0,0.0580769516527653,0.403482526540756,1.41421353816986,0.0,11.789999961853,0.0,0.0,0.121078833937645,0.0,0.0
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,0.577350258827209,8.44905281066895,0.028698293492198,1.30749583244324,0.16666667163372,0.681525647640228,1.89999997615814,34.9701538085938,1.34552799457843e-10,348.145385742188,0.0,5.21282815933228,0.0509229935705662,23.0271263122559,0.0,0.344206035137177,0.180951297283173,5.65685415267944,0.0,11.9985628128052,0.0277777779847383,0.0,0.443036764860153,0.0629940778017044,0.0
InChI%3D1S%2FC4H12N2%2Fc1-2-3-4-6-5%2Fh6H%2C2-5H2%2C1H3,0.0,6.5732626914978,0.0501980297267437,0.674667656421661,0.0,0.278838753700256,1.67999994754791,14.1130781173706,0.0934039652347565,270.505767822266,38.0499992370605,11.7984838485718,0.0258236769586802,8.21860980987549,0.0,0.0,0.203650787472725,0.0,0.0,11.9989995956421,0.0,1.0,0.126866027712822,0.0,0.0
InChI%3D1S%2FC5H6O2%2Fc6-4-5-2-1-3-7-5%2Fh1-3%2C6H%2C4H2,0.20412415266037,6.64411687850952,,0.735937893390656,0.102062076330185,0.402544885873795,1.78999996185303,16.0007247924805,,,33.3699989318848,8.47524166107178,0.262317299842834,,0.0,0.126366481184959,,2.82842707633972,0.0,11.9939661026001,0.0277777779847383,0.0,,0.0124225998297334,0.0
InChI%3D1S%2FC6H15NO3%2Fc8-4-1-7%282-5-9%293-6-10%2Fh8-10H%2C1-6H2,0.20412415266037,8.26262950897217,0.0614969953894615,1.24868333339691,0.0,0.759674251079559,1.67999994754791,15.9987030029297,0.180982500314713,232.527572631836,63.9300003051758,18.3781051635742,0.370013624429703,5.132493019104,0.0,0.387170821428299,0.141803056001663,0.0,0.0,11.9963550567627,0.0,0.0,0.315566390752792,0.0,1.0
InChI%3D1S%2FC4H8Cl2O%2Fc5-1-3-7-4-2-6%2Fh1-4H2,0.0,6.6621527671814,0.0348935648798943,0.751585185527802,0.0,0.429388910531998,1.57000005245209,34.9701538085938,0.0708552822470665,375.270568847656,9.22999954223633,11.5016555786133,0.281933844089508,6.24358510971069,0.0,0.0,0.100713536143303,0.0,0.0,11.9985990524292,0.0,0.0,0.132529065012932,0.0,0.0
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%2C1H3,1.70031785964966,10.6924905776978,0.0514924451708794,4.50429058074951,1.01781952381134,3.43170738220215,2.77999997138977,15.9999418258667,0.0335747338831425,424.449401855469,74.2200012207031,21.7404842376709,0.74701189994812,4.59484910964966,1.0,2.53753423690796,0.103427432477474,18.3096237182617,0.0,11.8999996185303,0.166238144040108,0.0,0.367337614297867,0.245645403862,0.0
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H,0.788675129413605,8.33725643157959,0.028794439509511,1.28942108154297,0.131445854902267,0.688795149326324,1.67999994754791,34.9688529968262,4.67145582661033e-07,381.511413574219,34.1399993896484,6.048828125,0.082793116569519,18.003927230835,2.0,0.335099399089813,0.246834740042686,5.65685415267944,0.0,11.9989995956421,0.0277777779847383,0.0,0.346048295497894,0.043919637799263,0.0
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%29,1.23125290870667,12.5015048980713,0.0594728663563728,3.18034100532532,0.541706025600433,2.31329822540283,2.67000007629395,15.9959239959717,0.170854240655899,409.121612548828,65.1800003051758,15.7584838867188,0.301696985960007,6.3824143409729,0.0,1.87801253795624,0.156459599733353,12.3981561660767,0.0,11.8500003814697,0.111510708928108,0.0,0.308728784322739,0.0945532098412514,0.0
InChI%3D1S%2FC10H10N2%2Fc11-9-5-1-3-7-8%289%294-2-6-10%287%2912%2Fh1-6H%2C11-12H2,0.743570029735565,9.69633007049561,0.0535787306725979,1.98952960968018,0.310875236988068,1.35858237743378,2.33999991416931,14.0040845870972,0.00158653117250651,317.915649414062,52.0400009155273,9.61207008361816,0.030766174197197,6.80574464797974,0.0,0.897791862487793,0.135505944490433,11.106315612793,0.0,11.8500003814697,0.0481125228106976,0.0,0.404165148735046,0.0796118155121803,0.0
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%29,1.03745746612549,10.134165763855,0.0358944348990917,2.49326467514038,0.474854648113251,1.73439431190491,1.35000002384186,31.9720726013184,,357.782409667969,144.710006713867,13.9912424087524,0.490651518106461,3.81054401397705,2.0,0.842595636844635,0.258689552545547,6.06319618225098,0.458566069602966,11.9989995956421,0.111281804740429,1.0,,0.113859154284,0.0
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%29,1.56294882297516,8.95776844024658,0.0521292798221111,2.9039888381958,0.368390560150146,2.15783953666687,1.78999996185303,15.9979333877563,0.12292892485857,285.454467773438,,26.0073127746582,0.753251075744629,5.04212188720703,2.0,1.12242066860199,0.118181943893433,7.64750289916992,0.872871577739716,11.994402885437,0.0500000007450581,0.0,0.204955264925957,0.0781284347176552,2.0
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%29,1.01474142074585,8.71209526062012,0.0474544912576675,1.58411419391632,0.164266422390938,1.07918167114258,2.11999988555908,15.9982624053955,0.0343695282936096,363.218200683594,67.8399963378906,17.8808975219727,0.29498416185379,6.59210014343262,0.0,0.557734251022339,0.163485750555992,7.18844223022461,0.0,11.9962491989136,0.0240562614053488,0.0,0.116779707372189,0.0344681032001972,0.0
InChI%3D1S%2FC6H8N2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H%2C7-8H2,0.760079681873322,7.89214658737183,0.0717761367559433,1.05158722400665,0.20412415266037,0.572996973991394,1.78999996185303,15.9949169158936,0.00728347897529602,243.059097290039,72.2699966430664,7.42565584182739,0.09298737347126,10.4308443069458,0.0,0.306271016597748,0.206305131316185,5.85380077362061,0.0,11.8500003814697,0.0240562614053488,0.0,0.355384230613708,0.0385360643267632,0.0
InChI%3D1S%2FC7H6O3%2Fc8-5-1-2-6-7%283-5%2910-4-9-6%2Fh1-3%2C8H%2C4H2,0.622008442878723,7.54720163345337,0.0701298788189888,1.35615253448486,0.330230087041855,0.885225236415863,1.89999997615814,15.996919631958,0.016303401440382,230.127166748047,38.689998626709,10.3912420272827,0.358482718467712,12.1323194503784,0.0,0.418364018201828,0.207999840378761,6.89817905426025,0.0,11.8500003814697,0.0580769516527653,0.0,0.280775666236877,0.058547168970108,0.0
InChI%3D1S%2FC10H10O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh2%2C4-6H%2C1%2C3%2C7H2,0.537457466125488,8.81363296508789,0.0415020473301411,1.81702029705048,0.310301214456558,1.23458707332611,2.33999991416931,15.9959192276001,0.0571748502552509,386.795196533203,18.4599990844727,14.7640695571899,0.304060280323029,7.99985551834106,0.0,0.592117011547089,0.162219822406769,8.83114051818848,0.0,11.8500003814697,0.0580769516527653,0.0,0.157725870609283,0.0647992268204689,0.0
InChI%3D1S%2FC7H8N2O3%2Fc1-12-7-3-2-5%289%2810%2911%294-6%287%298%2Fh2-4H%2C8H2%2C1H3,1.46423423290253,8.158766746521,0.0423648618161678,5.09321546554565,0.244929805397987,3.88431334495544,1.67999994754791,16.0169315338135,0.0107141258195043,358.911804199219,69.3899993896484,11.2576560974121,0.229153513908386,4.09258890151978,2.0,2.76216554641724,0.132277294993401,5.85380077362061,0.0,11.9989995956421,0.0735306888818741,0.0,0.313312917947769,0.0750136449933052,0.0
InChI%3D1S%2FC10H9N%2Fc11-10-6-5-8-3-1-2-4-9%288%297-10%2Fh1-7H%2C11H2,0.622008442878723,9.15949249267578,0.0465419292449951,1.773521900177,0.282117545604706,1.20779895782471,2.45000004768372,14.0030794143677,0.000866066780872643,355.981018066406,26.0200004577637,9.17886257171631,0.0153828430920839,9.4139461517334,0.0,0.609116733074188,0.177004963159561,10.6178750991821,0.0,11.8500003814697,0.0518340393900871,0.0,0.286340147256851,0.0737416818737984,0.0
InChI%3D1S%2FC8H8O%2Fc1-2-4-7%285-3-1%298-6-9-8%2Fh1-5%2C8H%2C6H2,0.333333343267441,8.1713809967041,0.0428543090820312,1.3380241394043,0.294627815485001,0.860139191150665,2.23000001907349,15.9974184036255,0.0565185844898224,286.872863769531,12.5299997329712,10.6616563796997,0.17878982424736,17.076904296875,0.0,0.331264495849609,0.156108051538467,6.08555364608765,0.0,11.9967775344849,0.087630569934845,0.0,0.24199153482914,0.0826685503125191,0.0
InChI%3D1S%2FC2H3F%2Fc1-2-3%2Fh2H%2C1H2,0.0,3.85553574562073,0.0413756333291531,0.0,0.0,0.0,1.57000005245209,19.0001316070557,2.35348296406812e-10,254.824783325195,0.0,4.48262119293213,0.0702685862779617,42.8963813781738,0.0,0.0,0.329684108495712,0.0,0.0,11.9978256225586,0.0,0.0,0.325145691633224,0.0,0.0
InChI%3D1S%2FC15H24O%2Fc1-10-8-11%2814%282%2C3%294%2913%2816%2912%289-10%2915%285%2C6%297%2Fh8-9%2C16H%2C1-7H3,3.44887828826904,10.7237062454224,0.021865077316761,2.8702826499939,0.16666667163372,1.92223536968231,3.0,15.9949188232422,0.0911595746874809,515.448547363281,20.2299995422363,26.236967086792,0.0542099289596081,2.48599767684937,0.0,3.04190325737,0.232796147465706,5.11154460906982,0.0,11.8900003433228,0.020833333954215,0.0,0.302158802747726,0.050983615219593,0.0
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,1.69578456878662,12.4715404510498,0.0410798117518425,5.9295802116394,0.775404095649719,4.77788686752319,3.88000011444092,15.9959268569946,0.00861103180795908,576.539245605469,34.1399993896484,17.2208976745605,0.261925518512726,7.17366075515747,2.0,3.74004077911377,0.126797273755074,39.3146438598633,0.0,11.8500003814697,0.141901090741158,0.0,0.199969783425331,0.263590276241302,0.0
InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3,0.20412415266037,8.34881782531738,0.0397859290242195,1.8014749288559,0.0,0.917309939861298,2.23000001907349,15.9979429244995,0.115723110735416,329.424987792969,20.2299995422363,19.6777267456055,0.0831926763057709,8.51650524139404,0.0,0.402236461639404,0.278763711452484,3.49413561820984,0.0,11.9962921142578,0.0,0.0,0.263893097639084,0.0,0.0
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%29,1.24098742008209,11.6757907867432,0.0522375404834747,3.92032742500305,0.464726060628891,2.98904967308044,2.55999994277954,15.9949207305908,0.123205281794071,465.126678466797,62.7700004577637,25.8241405487061,0.372330754995346,7.07239151000977,0.0,2.19773721694946,0.12494046241045,12.2722549438477,1.44224953651428,11.8500003814697,0.146298781037331,1.0,0.328253477811813,0.186105743050575,1.0
InChI%3D1S%2FCH5N3O%2Fc2-1%285%294-3%2Fh3H2%2C%28H3%2C2%2C4%2C5%29,0.40824830532074,5.55325508117676,0.0999982804059982,0.136718511581421,0.0,0.0,1.12999999523163,15.9979429244995,0.0433529056608677,168.324569702148,82.129997253418,4.14603519439697,0.128116071224213,8.57612895965576,0.0,0.0,0.208636328577995,0.0,0.0,11.9969720840454,0.0,1.0,0.257286339998245,0.0,0.0
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%2C5-8H2,0.81649661064148,8.2209587097168,0.0463386289775372,2.14869022369385,0.353553384542465,1.22457730770111,2.33999991416931,15.9989681243896,0.029143126681447,422.408050537109,43.5200004577637,22.9688987731934,0.666455984115601,9.08043003082275,0.0,0.359042286872864,0.0680282711982727,10.8086843490601,0.0,11.996711730957,0.0758903026580811,0.0,0.123990185558796,0.0782360136508942,0.0
InChI%3D1S%2FC3H8N2O%2Fc1-2-5%284%293-6%2Fh3H%2C2%2C4H2%2C1H3,0.288675129413605,6.63375473022461,0.057433757930994,0.500542044639587,0.0,0.0745356008410454,1.46000003814697,16.0059242248535,0.14722840487957,192.549911499023,46.3300018310547,9.70365619659424,0.191675037145615,14.9524297714233,1.0,0.0430331490933895,0.258777588605881,0.0,0.0,11.9888429641724,0.0,0.0,0.324231773614883,0.0,1.0
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%29,2.9243700504303,12.8143854141235,0.0354883447289467,4.41410636901855,0.230348020792007,2.95358514785767,2.00999999046326,31.9751644134521,0.038034476339817,424.773895263672,111.059997558594,26.5036907196045,0.327840328216553,2.41375732421875,4.0,2.94812321662903,0.165305271744728,12.1917543411255,0.0,11.9989995956421,0.0486111119389534,0.0,0.260241717100143,0.0879636183381081,0.0
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,2.37293410301208,13.3603820800781,0.0244131200015545,3.8926100730896,0.262891709804535,2.88878059387207,2.45000004768372,34.9729804992676,0.156978890299797,646.623291015625,0.0,11.9388628005981,0.181655734777451,8.82912158966064,0.0,3.64608716964722,0.265073329210281,15.6241292953491,0.0,11.9985179901123,0.0555555559694767,0.0,0.20881924033165,0.095069095492363,0.0
InChI%3D1S%2FC2H2Cl2%2Fc1-2%283%294%2Fh1H2,0.577350258827209,7.83088684082031,0.0363927260041237,0.0,0.0,0.0,1.46000003814697,34.9701538085938,3.55846685451411e-10,287.732177734375,0.0,3.0264139175415,0.0571735762059689,28.8183193206787,0.0,0.0,0.589040040969849,0.0,0.0,11.998706817627,0.0,0.0,0.390500366687775,0.0,0.0
InChI%3D1S%2FC7H8ClN%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C9H2%2C1H3,0.760079681873322,8.62907695770264,0.0332404375076294,1.47638130187988,0.20412415266037,0.791878700256348,2.00999999046326,34.9688529968262,0.016690319404006,303.680267333984,26.0200004577637,8.50565624237061,0.0420913361012936,17.1208877563477,0.0,0.5552698969841,0.201653018593788,5.85380077362061,0.0,11.9935121536255,0.0240562614053488,0.0,0.399957120418549,0.0652223899960518,0.0
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%2C1-2H3,1.18284916877747,11.5337781906128,0.0447197295725346,3.50291633605957,0.262891709804535,2.50871586799622,3.22000002861023,15.9959239959717,0.093001700937748,435.014801025391,40.4599990844727,21.8641395568848,0.112795472145081,9.70297145843506,0.0,1.74711382389069,0.160849094390869,21.1690063476562,0.0,11.8500003814697,0.0555555559694767,0.0,0.197119042277336,0.0526229776442051,0.0
InChI%3D1S%2FC8H12N2%2Fc9-10-7-6-8-4-2-1-3-5-8%2Fh1-5%2C10H%2C6-7%2C9H2,0.20412415266037,8.53838157653809,0.0600120089948177,1.40083742141724,0.0721687823534012,0.86118358373642,2.11999988555908,14.0040817260742,0.0693936869502068,347.788360595703,38.0499992370605,11.7984838485718,0.0290365051478148,7.15169715881348,0.0,0.255742847919464,0.15732116997242,4.44554471969604,0.0,11.8500003814697,0.0320750139653683,1.0,0.142459079623222,0.0226804614067078,0.0
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%29,1.00306725502014,10.1422071456909,0.0484327897429466,2.7032482624054,0.666987478733063,1.87449431419373,2.23000001907349,14.0060968399048,0.00937202572822571,372.567749023438,52.0099983215332,14.8920698165894,0.212104231119156,7.40123796463013,0.0,1.38907468318939,0.164234414696693,9.65257549285889,0.63245552778244,11.8500003814697,0.114389039576054,1.0,0.273464620113373,0.155846387147903,1.0
InChI%3D1S%2FH2O4S%2Fc1-5%282%2C3%294%2Fh%28H2%2C1%2C2%2C3%2C4%29,2.0,6.1619930267334,,0.0,0.0,0.0,0.910000026226044,31.972827911377,,,82.9800033569336,8.66241359710693,0.269426554441452,,2.0,0.0,,0.0,0.0,15.9933319091797,0.0,0.0,,0.0,0.0
InChI%3D1S%2FC7H14N2O%2Fc1-3-4-5-6-8-9%282%297-10%2Fh6-7H%2C3-5H2%2C1-2H3,0.288675129413605,7.23639535903931,0.0333748236298561,1.10311305522919,0.0,0.509152948856354,1.89999997615814,16.0059261322021,0.0482883043587208,403.650115966797,32.6699981689453,18.24289894104,0.242558270692825,15.3343801498413,1.0,0.0743570029735565,0.255643248558044,0.0,1.0,11.9886617660522,0.0,0.0,0.105683207511902,0.0,1.0
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%29,2.64185523986816,10.5796794891357,0.0494611598551273,4.06349086761475,0.0,2.74918270111084,2.55999994277954,15.9979467391968,0.167293727397919,573.369873046875,176.740005493164,46.4598655700684,0.726246118545532,3.1786093711853,1.0,1.58059680461884,0.0652237832546234,12.0357456207275,0.0,11.9932918548584,0.0,1.0,0.230490028858185,0.0,0.0
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,1.35512804985046,12.3823804855347,0.0277407374233007,3.71812534332275,0.262891709804535,2.65753102302551,2.55999994277954,34.9720077514648,0.139910772442818,572.456604003906,0.0,12.6120700836182,0.148104220628738,7.88178586959839,0.0,2.2754955291748,0.171152427792549,17.8274536132812,0.0,11.9985179901123,0.0555555559694767,0.0,0.211355969309807,0.095069095492363,0.0
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,2.65470051765442,13.8308811187744,0.0358079709112644,4.25868463516235,0.25,2.78280520439148,2.33999991416931,34.9729804992676,0.143053248524666,566.261413574219,20.2299995422363,11.9388628005981,0.276212781667709,4.4883828163147,,4.27517080307007,0.225426197052002,12.3619976043701,0.0,11.9985179901123,0.0555555559694767,0.0,0.245100021362305,0.0907718539237976,0.0
InChI%3D1S%2FC2H5N5O3%2Fc1-6%285-8%292%283%294-7%289%2910%2Fh1H3%2C%28H2%2C3%2C4%29,0.879652798175812,7.2362585067749,0.0370988547801971,0.643270075321198,0.0,0.199653878808022,0.800000011920929,16.0169334411621,0.183515906333923,323.202056884766,102.690002441406,7.68003511428833,0.157858401536942,10.1881771087646,3.0,0.147634759545326,0.231578692793846,0.0,2.37841415405273,11.9989995956421,0.0,1.0,0.306147426366806,0.0,1.0
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-4-10-14%2812%2911%286-3-9%295-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,0.946923434734344,8.28582668304443,0.0441764742136002,2.88193941116333,0.174230858683586,2.16484761238098,1.46000003814697,34.970157623291,0.124202348291874,416.050354003906,51.3800010681152,30.232105255127,0.477108985185623,3.94949984550476,1.0,1.35477447509766,0.242115512490273,0.0,0.5,11.9985513687134,0.0433229357004166,1.0,0.360727339982986,0.0699819251894951,1.0
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%2C1H3,0.969088971614838,10.4951543807983,0.040356770157814,3.11265015602112,0.731359124183655,2.41198134422302,2.77999997138977,14.0040884017944,0.0365857742726803,407.114807128906,,16.6248989105225,0.0798927396535873,12.1585178375244,0.0,1.78581929206848,0.132862970232964,16.0852966308594,0.0,11.8500003814697,0.136147990822792,0.0,0.37129420042038,0.220315843820572,0.0
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%29,2.4018611907959,,0.0516897328197956,1.92536985874176,0.322104275226593,1.20938873291016,1.01999998092651,,0.126480609178543,265.878204345703,,26.275276184082,0.675445020198822,0.80312305688858,3.0,0.86339420080185,0.232512667775154,2.94168281555176,0.81649661064148,,0.0621898733079433,0.0,0.296326994895935,0.0674257501959801,0.0
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%29,2.27563285827637,10.5890645980835,0.0402486957609653,4.77017259597778,0.422605067491531,3.36330151557922,2.77999997138977,34.9688529968262,0.113414518535137,404.778717041016,116.419998168945,25.2497253417969,0.726965606212616,2.96670508384705,2.0,2.40507578849792,0.11162219196558,17.8811626434326,0.0,11.9966526031494,0.0709505453705788,0.0,0.232710987329483,0.132178902626038,0.0
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%2C1-4H3,2.29183745384216,9.65967178344727,0.0378215573728085,3.33365607261658,0.100592233240604,2.01282811164856,2.45000004768372,34.9693794250488,0.097586952149868,602.398742675781,63.9700012207031,35.6897621154785,0.528229415416718,3.28033018112183,1.0,1.62129259109497,0.182491928339005,7.09485530853271,0.0,11.9985160827637,0.0277777779847383,0.0,0.170014157891273,0.0252291187644005,0.0
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%29,0.288675129413605,11.2368860244751,0.050292681902647,0.597033798694611,0.0,0.0577350258827209,1.35000002384186,31.9720726013184,0.0724736452102661,484.167297363281,32.6699981689453,24.3476905822754,0.532035827636719,0.906701743602753,2.0,0.0577350258827209,0.0990271121263504,4.65844440460205,2.17434787750244,11.8500003814697,0.0,3.0,0.203084394335747,0.0,1.0
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,0.20412415266037,8.29837989807129,0.0333030298352242,1.03527474403381,0.0721687823534012,0.589121699333191,2.33999991416931,12.1500825881958,1.92086971328997e-10,356.748992919922,0.0,8.74565601348877,0.0,4.93143606185913,0.0,0.174792468547821,0.130218967795372,3.96540641784668,0.0,11.8500003814697,0.0320750139653683,0.0,0.294890582561493,0.0185185186564922,0.0
InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3,0.577350258827209,3.71501851081848,0.0262841023504734,0.0,0.0,0.0,1.24000000953674,16.0168685913086,0.110716313123703,243.662460327148,34.1399993896484,4.53562116622925,0.087612047791481,26.3144702911377,2.0,0.0,0.333176523447037,0.0,0.0,11.9999990463257,0.0,0.0,0.272204846143723,0.0,0.0
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%29,1.03745746612549,9.89373207092285,,2.43306875228882,0.474854648113251,1.69454097747803,1.46000003814697,31.9720726013184,,,132.679992675781,13.5580348968506,0.50411731004715,,2.0,0.831232190132141,,6.43187379837036,0.338061690330505,11.9989995956421,0.107108667492867,0.0,,0.114507332444191,0.0
InChI%3D1S%2FC2H8N2%2Fc1-2-4-3%2Fh4H%2C2-3H2%2C1H3,0.0,5.50450658798218,0.0540177188813686,0.20412415266037,0.0,0.0,1.46000003814697,14.113076210022,0.166609719395638,237.047958374023,38.0499992370605,7.42565584182739,0.0258971359580755,8.76993560791016,0.0,0.0,0.241393774747849,0.0,0.0,11.9989995956421,0.0,1.0,0.178847908973694,0.0,0.0
InChI%3D1S%2FC6H7ClN2%2Fc7-5-2-1-4%288%293-6%285%299%2Fh1-3H%2C8-9H2,0.760079681873322,8.88063430786133,0.0548395365476608,1.3642612695694,0.20412415266037,0.679777145385742,1.78999996185303,34.9688529968262,0.00257976679131389,301.908508300781,52.0400009155273,6.75244903564453,0.0609119385480881,7.74248600006104,0.0,0.458181768655777,0.149083182215691,5.85380077362061,0.0,11.8500003814697,0.0240562614053488,0.0,0.369963467121124,0.0550550147891045,0.0
InChI%3D1S%2FC6H11Cl3O3%2Fc7-3-10-1-6%2812-5-9%292-11-4-8%2Fh6H%2C1-5H2,0.20412415266037,8.30350685119629,0.041681807488203,1.495081782341,0.0,0.941751778125763,1.46000003814697,34.9710578918457,0.122840777039528,438.745666503906,27.6900005340576,19.0332775115967,0.694509625434875,3.0077657699585,0.0,0.250215739011765,0.0990718379616737,2.80488777160645,0.0,11.9985628128052,0.0,0.0,0.351065188646317,0.0,0.0
InChI%3D1S%2FC8H10N2O%2Fc1-6-2-4-7%285-3-6%2910-8%289%2911%2Fh2-5H%2C1H3%2C%28H3%2C9%2C10%2C11%29,0.901047587394714,8.52332019805908,0.052952766418457,1.31430613994598,0.142258897423744,0.773613035678864,2.00999999046326,15.9979438781738,0.0476605817675591,249.147018432617,56.1100006103516,11.5920696258545,0.139927044510841,10.6758546829224,0.0,0.347525507211685,0.197282612323761,6.29469060897827,0.0,11.9962921142578,0.0277777779847383,1.0,0.165720745921135,0.0416666679084301,0.0
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%2C1H3,0.810617208480835,8.78825092315674,0.0449770465493202,2.25419449806213,0.236435204744339,1.37216150760651,2.45000004768372,15.9949197769165,0.0862571820616722,453.759643554688,59.9700012207031,16.787691116333,0.239372387528419,3.53209638595581,0.0,0.570058226585388,0.097555711865425,9.66111278533936,0.0,11.8500003814697,0.0561312772333622,0.0,0.170088425278664,0.0488124862313271,0.0
InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2,0.0,6.16513395309448,0.051033116877079,0.462910056114197,0.0,0.262445330619812,1.35000002384186,34.9701538085938,0.145255610346794,296.643280029297,9.22999954223633,7.12882804870605,0.28129854798317,12.9270191192627,0.0,0.0,0.240013495087624,0.0,0.0,11.998706817627,0.0,0.0,0.216235861182213,0.0,0.0
InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29,0.402368932962418,8.39600563049316,0.0642304793000221,1.07360363006592,0.0589255653321743,0.586622178554535,1.67999994754791,15.9949178695679,0.040180429816246,260.862152099609,68.0100021362305,8.61044883728027,0.230345711112022,10.1559009552002,1.0,0.250304788351059,0.230724766850471,4.29827976226807,0.0,11.8500003814697,0.0248451996594667,1.0,0.212848737835884,0.0124225998297334,0.0
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%2C1-3H3,1.35956633090973,12.8652935028076,0.0381019562482834,4.7902660369873,0.22488921880722,3.34842014312744,4.09999990463257,15.9949216842651,0.0639764741063118,725.284790039062,12.4700002670288,35.5990028381348,0.246040821075439,2.09810042381287,0.0,1.96607422828674,0.0467898212373257,29.4478054046631,0.0,11.9932527542114,0.0919278040528297,0.0,0.126888826489449,0.0573041327297688,1.0
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,2.5,12.6744661331177,0.0,2.89285707473755,0.0,0.0,1.01999998092651,34.9739570617676,0.284946382045746,304.742858886719,0.0,2.51999998092651,0.292480915784836,8.48928165435791,0.0,2.47959184646606,0.5,0.0,0.0,11.998706817627,0.0,0.0,0.284958332777023,0.0,0.0
InChI%3D1S%2FC9H8N4O2S%2Fc10-12-9-11-8%285-16-9%296-1-3-7%284-2-6%2913%2814%2915%2Fh1-5H%2C10H2%2C%28H%2C11%2C12%29,1.03745746612549,10.1661405563354,0.0482046045362949,2.77505731582642,0.323895931243896,1.85767018795013,1.67999994754791,31.9720726013184,0.0740418061614037,424.626800537109,125.0,15.9944839477539,0.174915611743927,0.441576570272446,2.0,0.959335803985596,0.104883171617985,9.28654956817627,0.288675129413605,11.9989995956421,0.106834717094898,2.0,0.21021443605423,0.114541046321392,0.0
InChI%3D1S%2FC12H14N4%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%2Fh1-6H%2C13-16H2,1.27614235877991,10.0137023925781,0.0606952048838139,2.50690865516663,0.350732952356339,1.50863575935364,2.33999991416931,14.0060987472534,0.00211682007648051,395.355102539062,104.080001831055,12.6648979187012,0.0679397881031036,4.4704065322876,0.0,0.945904433727264,0.0829052925109863,15.0080585479736,0.0,11.8500003814697,0.0481125228106976,0.0,0.196247175335884,0.0796118155121803,0.0
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,0.577350258827209,9.64176177978516,0.0297142062336206,0.0,0.0,0.0,1.24000000953674,78.9185180664062,0.225765258073807,268.721710205078,0.0,3.22320699691772,0.129209727048874,24.3019962310791,0.0,0.0,0.710292398929596,0.0,0.0,11.9998188018799,0.0,0.0,0.381421357393265,0.0,0.0
InChI%3D1S%2FC7H7NO3%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3,0.636082768440247,7.89644336700439,0.0333363898098469,1.28186655044556,0.107038088142872,0.780607521533966,1.78999996185303,16.0169315338135,0.0310423951596022,335.7783203125,43.3699989318848,10.8244485855103,0.21725906431675,4.63512086868286,2.0,0.409329682588577,0.201315388083458,4.29827976226807,0.0,11.9989995956421,0.0277777779847383,0.0,0.391171395778656,0.0237628296017647,0.0
InChI%3D1S%2FC7H9NO%2Fc1-9-7-5-3-2-4-6%287%298%2Fh2-5H%2C8H2%2C1H3,0.402368932962418,7.8891978263855,0.0539235919713974,1.13892531394958,0.142258897423744,0.666426181793213,2.00999999046326,15.9949169158936,0.0148711642250419,308.921325683594,35.25,11.0948629379272,0.170042678713799,5.13670444488525,0.0,0.317625373601913,0.148024991154671,4.29827976226807,0.0,11.9935121536255,0.0277777779847383,0.0,0.378542900085449,0.027377737686038,0.0
InChI%3D1S%2FC7H8N2O2%2Fc8-9-6-3-1-5%282-4-6%297%2810%2911%2Fh1-4%2C9H%2C8H2%2C%28H%2C10%2C11%29,0.70412415266037,8.10157012939453,0.0820640549063683,1.29851746559143,0.107038088142872,0.709029912948608,1.78999996185303,15.9982604980469,0.00221284432336688,215.936264038086,75.3499984741211,8.3836555480957,0.209689497947693,7.11995267868042,1.0,0.320082038640976,0.230241656303406,7.06555128097534,0.0,11.996319770813,0.0277777779847383,1.0,0.210304692387581,0.0277777779847383,0.0
InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295,2.0,10.4394407272339,0.0572325848042965,0.0,0.0,0.0,1.12999999523163,34.9720077514648,0.333317667245865,406.88232421875,0.0,1.67999994754791,0.175556600093842,23.1472549438477,0.0,0.0,1.0,0.0,0.0,11.999472618103,0.0,0.0,0.333335429430008,0.0,0.0
InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2,0.0,5.4162769317627,0.0484885014593601,0.744016945362091,0.0,0.439826399087906,1.67999994754791,15.9977836608887,0.167843416333199,203.961395263672,18.4599990844727,12.5776557922363,0.363465756177902,11.4912214279175,0.0,0.0,0.093886747956276,0.0,0.0,11.9969358444214,0.0416666679084301,0.0,0.294400840997696,0.0,0.0
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%2C1H3,1.60959541797638,10.3780612945557,0.0424479320645332,3.8482723236084,0.182469829916954,2.60223650932312,2.89000010490417,15.9997510910034,0.0662557631731033,397.189117431641,,27.8825531005859,0.50238025188446,6.39246702194214,2.0,1.20248794555664,0.152121692895889,19.1938896179199,0.0,11.9966630935669,0.020833333954215,0.0,0.387968778610229,0.0410786978900433,0.0
InChI%3D1S%2FC12H10Cl2N2%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%2Fh1-6H%2C15-16H2,1.27614235877991,10.3384552001953,0.0428596548736095,2.98888921737671,0.350732952356339,1.7744802236557,2.33999991416931,34.970157623291,0.000728258048184216,433.422637939453,52.0400009155273,10.4520702362061,0.0893483683466911,5.13477373123169,0.0,1.27869057655334,0.10936301201582,15.0080585479736,0.0,11.9985237121582,0.0481125228106976,0.0,0.166093170642853,0.106388509273529,0.0
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%29,1.09929239749908,10.248104095459,0.0475518777966499,4.12279510498047,0.713029801845551,3.3086109161377,2.23000001907349,14.0089273452759,0.152370512485504,367.613891601562,53.7000007629395,25.1641407012939,0.229020684957504,0.798546552658081,0.0,2.4375958442688,0.143753379583359,9.28120708465576,1.0,11.994402885437,0.20159113407135,2.0,0.188832223415375,0.365496009588242,1.0
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,1.21099770069122,11.0158023834229,0.0334834232926369,4.60851097106934,0.671063303947449,3.50982856750488,3.88000011444092,12.1503047943115,1.62174202955612e-07,535.3330078125,0.0,15.3048982620239,0.0,0.974943101406097,0.0,2.2973108291626,0.0722237750887871,33.9523429870605,0.0,11.8500003814697,0.118055552244186,0.0,0.190948471426964,0.20096743106842,0.0
InChI%3D1S%2FCHBr2Cl%2Fc2-1%283%294%2Fh1H,0.577350258827209,10.7978801727295,0.010512113571167,0.0,0.0,0.0,1.24000000953674,78.91943359375,0.240091681480408,236.634582519531,0.0,4.09320688247681,0.113729648292065,26.8186893463135,0.0,0.0,0.706184029579163,0.0,0.0,11.9998188018799,0.0,0.0,0.362182378768921,0.0,0.0
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,1.35069239139557,10.1118154525757,0.0513700172305107,3.02830338478088,0.462436646223068,2.20604062080383,2.55999994277954,15.9979286193848,3.42347561854695e-07,331.322967529297,74.5999984741211,10.6616563796997,0.366812855005264,8.20955753326416,2.0,1.68299055099487,0.138346612453461,16.0331611633301,0.0,11.8999996185303,0.0637375190854073,0.0,0.284747153520584,0.116054050624371,0.0
InChI%3D1S%2FC2H4N2O2%2Fc5-1-3-4-2-6%2Fh1-2H%2C%28H%2C3%2C5%29%28H%2C4%2C6%29,0.0,5.16938781738281,0.094765916466713,0.169946223497391,0.0,0.0596284791827202,1.24000000953674,15.9982585906982,2.56254907071707e-07,152.293258666992,65.1800003051758,5.69282817840576,0.233150854706764,14.9809808731079,0.0,0.0,0.227760478854179,0.0,0.0,11.9966878890991,0.0,0.0,0.117234393954277,0.0,0.0
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%2C1-4H3,1.52578341960907,10.0454006195068,0.0390396527945995,3.34475517272949,0.19245009124279,2.01914501190186,3.0,14.0095205307007,0.0618788823485374,554.463439941406,30.3299999237061,26.9173469543457,0.196440890431404,6.54332399368286,0.0,1.38528668880463,0.147186368703842,15.6241292953491,0.0,11.9933195114136,0.0555555559694767,0.0,0.122354030609131,0.0526229776442051,2.0
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%29,0.81649661064148,8.43958759307861,0.0378677658736706,1.43862783908844,0.117851130664349,0.970399975776672,2.23000001907349,15.9982614517212,0.0313366018235683,354.085021972656,41.8199996948242,17.4476909637451,0.27417328953743,9.68125534057617,0.0,0.388213247060776,0.200870364904404,6.74402570724487,0.0,11.9962491989136,0.0277777779847383,0.0,0.0871206000447273,0.0237628296017647,0.0
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%29,1.10490465164185,10.7663288116455,0.0430203080177307,3.45891118049622,0.691662490367889,2.86462330818176,2.45000004768372,14.0050926208496,0.135386794805527,417.839630126953,,17.7181053161621,0.134582966566086,9.0620288848877,0.0,2.31747794151306,0.164105772972107,10.8581981658936,0.0,11.8999996185303,0.163430035114288,2.0,0.358363717794418,0.286269396543503,0.0
InChI%3D1S%2FC4H10N2O%2Fc1-2-3-6%285%294-7%2Fh4H%2C2-3%2C5H2%2C1H3,0.288675129413605,6.94813776016235,0.0572035275399685,0.61719936132431,0.0,0.310903519392014,1.57000005245209,16.0059261322021,0.114524766802788,230.761276245117,46.3300018310547,11.8900699615479,0.191603675484657,15.4312305450439,1.0,0.104964628815651,0.241918325424194,0.0,0.0,11.988787651062,0.0,0.0,0.190252259373665,0.0,1.0
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%29,1.1969233751297,8.48798274993896,0.0609158016741276,1.82003450393677,0.385379761457443,1.13094091415405,1.46000003814697,15.9979305267334,0.0378431752324104,357.965667724609,116.099998474121,13.8336563110352,0.384612798690796,1.73718571662903,2.0,0.467215806245804,0.152077406644821,6.47436809539795,0.28571429848671,11.9944725036621,0.0665981099009514,2.0,0.15536330640316,0.0508730337023735,0.0
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,0.577350258827209,8.33563137054443,0.0468066595494747,1.12198138237,0.16666667163372,0.588768482208252,1.89999997615814,34.9688529968262,0.00166071439161897,328.918426513672,26.0200004577637,6.31924200057983,0.0410009883344173,10.9352178573608,,0.259733587503433,0.210716232657433,5.65685415267944,0.0,11.8500003814697,0.0277777779847383,0.0,0.353258341550827,0.0475345477461815,
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%29,2.55978560447693,12.252366065979,0.0389411970973015,3.54459095001221,0.226860836148262,2.42661547660828,1.78999996185303,34.9688529968262,,395.637847900391,131.009994506836,21.7952766418457,0.647244513034821,10.887020111084,3.0,2.07565832138062,0.210690677165985,11.0896501541138,0.0,11.9989995956421,0.0486111119389534,1.0,,0.0764097943902016,0.0
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%29,1.50754058361053,9.48136520385742,0.0498022437095642,2.57810139656067,0.302046418190002,1.63689124584198,2.55999994277954,16.0060291290283,0.0624799281358719,468.088775634766,74.0500030517578,19.3361053466797,0.322217762470245,4.03038549423218,1.0,0.785671353340149,0.139373287558556,12.8350505828857,0.0,11.9884796142578,0.0518340393900871,1.0,0.216037333011627,0.0709469616413116,0.0
InChI%3D1S%2FC8H10N2O%2Fc1-7%2811%299-10-8-5-3-2-4-6-8%2Fh2-6%2C10H%2C1H3%2C%28H%2C9%2C11%29,0.61237245798111,8.34313201904297,0.047523844987154,1.12059366703033,0.0721687823534012,0.658139884471893,2.00999999046326,15.9949178695679,0.0749068483710289,327.975891113281,44.6199989318848,11.5920696258545,0.113381020724773,11.9119262695312,0.0,0.170000374317169,0.225571036338806,3.58146524429321,0.0,11.8500003814697,0.0320750139653683,1.0,0.18442939221859,0.0160375069826841,0.0
InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2,0.0,7.25531339645386,0.0252279248088598,0.701189160346985,0.0,0.377964466810226,1.67999994754791,34.9701538085938,0.0813966244459152,299.325897216797,0.0,7.39924192428589,0.0981695801019669,26.5131645202637,0.0,0.0,0.142974570393562,0.0,0.0,11.9985990524292,0.0,0.0,0.155772283673286,0.0,0.0
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,0.5,7.38454151153564,0.0316893942654133,0.967012107372284,0.0589255653321743,0.549710214138031,1.78999996185303,15.9959182739258,4.43695398644195e-07,330.674713134766,34.1399993896484,6.72203493118286,0.0571355521678925,11.4956359863281,,0.16965363919735,0.254047274589539,3.04182171821594,0.0,11.8500003814697,0.0320750139653683,,0.3630530834198,0.0143443830311298,
InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,0.952529728412628,9.41702556610107,0.0427938438951969,1.77611458301544,0.222222223877907,1.35156226158142,1.67999994754791,34.9710578918457,1.15544263046274e-09,320.834716796875,20.2299995422363,4.53962087631226,0.150273352861404,13.1701259613037,,1.26715743541718,0.286295801401138,5.11154460906982,0.0,11.9985628128052,0.020833333954215,,0.427786469459534,0.0801852867007256,
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,0.666666686534882,9.79723739624023,0.00874211173504591,1.28571426868439,0.0,0.0,1.24000000953674,34.9720077514648,1.52579782142226e-10,258.532135009766,0.0,1.67999994754791,0.134521722793579,16.0765762329102,0.0,0.0,0.5,0.0,0.0,11.998706817627,0.0,0.0,0.431940317153931,0.0,0.0
InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3,2.0,6.86031246185303,0.0376673489809036,0.0,0.0,0.0,1.78999996185303,15.9979419708252,0.224292248487473,289.972564697266,20.2299995422363,10.9320697784424,0.0706992447376251,23.3549251556396,0.0,0.0,0.421008199453354,0.0,0.0,11.9964618682861,0.0,0.0,0.379644095897675,0.0,0.0
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%29,2.87827062606812,10.2970247268677,0.0321619212627411,3.6277871131897,0.611966192722321,1.9515814781189,2.33999991416931,34.9698524475098,0.0765315592288971,518.601806640625,46.5299987792969,19.0188980102539,0.428459763526917,3.55377244949341,1.0,2.13516902923584,0.198114201426506,8.66465663909912,0.0,11.9885129928589,0.363080412149429,0.0,0.127522051334381,0.332137167453766,0.0
InChI%3D1S%2FC3H4O2%2Fc4-3-1-2-5-3%2Fh1-2H2,0.288675129413605,5.23300647735596,0.0698486790060997,0.569235920906067,0.0,0.0833333358168602,1.57000005245209,15.9977836608887,0.137933522462845,186.669342041016,26.2999992370605,7.24682807922363,0.279180258512497,18.6456928253174,1.0,0.0,0.454169511795044,1.41421353816986,0.0,11.9970207214355,0.0,0.0,0.325882494449615,0.0,0.0
InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29,0.288675129413605,6.59975957870483,0.09063059091568,0.566941738128662,0.0,0.309359222650528,1.24000000953674,14.1031160354614,0.0637283846735954,232.601226806641,59.939998626709,7.21924209594727,0.143685355782509,16.4829616546631,0.0,0.0662912577390671,0.196890890598297,0.5,0.0,11.9989995956421,0.0220970865339041,3.0,0.318571895360947,0.0,0.0
InChI%3D1S%2FC10H17Cl2NOS%2Fc1-7%282%2913%288%283%294%2910%2814%2915-6-9%2812%295-11%2Fh5%2C7-8H%2C6H2%2C1-4H3,1.30215513706207,10.958890914917,0.0282931737601757,3.46485090255737,0.0,2.50234699249268,2.00999999046326,34.970157623291,0.126658529043198,525.904602050781,45.6100006103516,24.6425189971924,0.270436882972717,5.53410339355469,1.0,2.7196581363678,0.25451523065567,2.78708958625793,0.0,11.9985313415527,0.0,0.0,0.236957862973213,0.0,1.0
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%29,1.69999074935913,11.4962892532349,0.0429532080888748,4.48858690261841,0.348461717367172,3.10524916648865,2.23000001907349,34.9688529968262,0.087375819683075,491.419342041016,99.0199966430664,25.9757251739502,0.461895674467087,2.81120753288269,1.0,2.05324554443359,0.139542371034622,10.0409135818481,0.0,11.8900003433228,0.0535190440714359,2.0,0.256482988595963,0.141539007425308,0.0
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%2C1-3H3,1.3896895647049,11.7221927642822,0.0389496088027954,3.40756368637085,0.102062076330185,2.13865041732788,3.0,15.9949197769165,0.130093887448311,551.811157226562,,29.2665538787842,0.346744775772095,0.0,0.0,1.75660884380341,0.0930694490671158,8.09352588653564,0.16666667163372,11.9883184432983,0.0569202154874802,0.0,0.336186587810516,0.0284601077437401,1.0
InChI%3D1S%2FC6H6ClN%2Fc7-4-6-2-1-3-8-5-6%2Fh1-3%2C5H%2C4H2,0.20412415266037,8.31212997436523,0.0402441471815109,1.18570220470428,0.0721687823534012,0.635264992713928,1.89999997615814,34.9693794250488,0.0442223772406578,340.696411132812,,8.29924201965332,0.128436282277107,13.2856111526489,0.0,0.237054884433746,0.155686259269714,3.49413561820984,0.0,11.9985628128052,0.0248451996594667,0.0,0.283414274454117,0.0175682101398706,0.0
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%29,0.992799282073975,10.1447868347168,0.0420353189110756,2.06448912620544,0.232307806611061,1.3185099363327,1.24000000953674,31.9720726013184,0.0533802472054958,327.735382080078,131.570007324219,16.0148620605469,0.306486457586288,7.17715406417847,2.0,0.679357886314392,0.160020217299461,2.22550916671753,0.721124768257141,11.9989995956421,0.0748838111758232,2.0,0.224751025438309,0.0663094148039818,0.0
InChI%3D1S%2FC6H6Cl2N2%2Fc7-4-1-3%289%292-5%288%296%284%2910%2Fh1-2H%2C9-10H2,0.952529728412628,9.51022052764893,0.0445000343024731,1.726802110672,0.222222223877907,1.10784435272217,1.67999994754791,34.9701538085938,0.00209958082996309,325.166076660156,52.0400009155273,6.07924222946167,0.0922358259558678,12.9246845245361,0.0,1.07965326309204,0.138910114765167,5.11154460906982,0.0,11.9985628128052,0.020833333954215,0.0,0.311918139457703,0.0713018178939819,0.0
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%2C17H2,0.811611413955688,9.11202049255371,0.046318493783474,2.60123014450073,0.203614637255669,1.63279724121094,2.89000010490417,15.9959239959717,0.00319955265149474,489.030456542969,52.3199996948242,18.6121044158936,0.295175641775131,1.62378311157227,1.0,0.646886765956879,0.194654867053032,12.5101585388184,0.0,11.8500003814697,0.0598527938127518,0.0,0.126646891236305,0.0484449155628681,0.0
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%2C4-5H2,1.04994332790375,10.2320804595947,0.0282470490783453,3.05057907104492,0.563661098480225,2.39064002037048,2.45000004768372,15.995922088623,0.0437401346862316,461.004943847656,34.1399993896484,13.2812767028809,0.0636431500315666,7.41628170013428,2.0,1.71307837963104,0.196880087256432,15.7143325805664,0.0,11.8500003814697,0.148308381438255,0.0,0.399839133024216,0.219811335206032,0.0
InChI%3D1S%2FC6H11N2O4PS3%2Fc1-10-5-7-8%286%289%2916-5%294-15-13%2814%2C11-2%2912-3%2Fh4H2%2C1-3H3,1.53326976299286,11.3674831390381,0.0376464314758778,8.24663734436035,0.300349175930023,4.28214693069458,1.01999998092651,31.9742698669434,0.119144544005394,466.980865478516,,30.8576908111572,0.716129004955292,3.34770512580872,1.0,4.73431158065796,0.162674844264984,0.81649661064148,1.0,11.9985847473145,0.120451420545578,1.0,0.187391117215157,0.159559890627861,1.0
InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,0.98559856414795,10.9992933273315,0.0500417314469814,3.01163721084595,0.284517794847488,2.02431726455688,2.45000004768372,31.9720726013184,0.0537110604345798,435.201690673828,77.3399963378906,14.078483581543,0.0403576269745827,10.777214050293,0.0,1.01845073699951,0.117761731147766,12.3619976043701,0.0,11.8500003814697,0.0555555559694767,0.0,0.123573496937752,0.100116394460201,0.0
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3,0.926776707172394,6.56926965713501,0.0273438170552254,2.61653876304626,0.0,1.3947879076004,2.23000001907349,30.973762512207,0.0694835484027863,536.801330566406,54.5699996948242,43.7025871276855,0.550389409065247,0.888967394828796,1.0,0.3820461332798,0.299379050731659,0.0,0.0,11.8900003433228,0.0,0.0,0.238243371248245,0.0,0.0
InChI%3D1S%2FC9H8O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-4H%2C5-6H2,0.622008442878723,8.57438373565674,0.0534730888903141,1.79486393928528,0.282117545604706,1.22033607959747,2.23000001907349,15.9977855682373,0.0332370921969414,256.529663085938,26.2999992370605,11.6196556091309,0.244870468974113,7.23567485809326,1.0,0.569400668144226,0.340491086244583,8.44211196899414,0.0,11.9967565536499,0.0532932952046394,0.0,0.296813607215881,0.0708615332841873,0.0
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%29,1.08377695083618,8.88825702667236,0.0729190781712532,1.4178307056427,0.184195280075073,0.811644434928894,2.00999999046326,15.9979238510132,0.095844991505146,169.043045043945,77.7600021362305,9.70365619659424,0.318831235170364,7.00632524490356,1.0,0.371276557445526,0.191587507724762,9.3907413482666,0.0,11.8500003814697,0.0240562614053488,0.0,0.215796753764153,0.0354054644703865,0.0
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,0.288675129413605,8.60701370239258,0.0448986813426018,0.956023514270782,0.0,0.597213566303253,1.46000003814697,31.972677230835,0.0656647533178329,248.227996826172,63.189998626709,10.8192415237427,0.155081227421761,4.94070672988892,0.0,0.224999994039536,0.206047922372818,1.0,0.0,11.9985771179199,0.0750000029802322,1.0,0.284566789865494,0.0,0.0
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,0.577350258827209,6.41464805603027,0.08455840498209,0.628162145614624,0.16666667163372,0.33919283747673,1.46000003814697,15.9959182739258,2.81126188994563e-09,122.343696594238,66.2399978637695,7.01282787322998,0.276294201612473,11.5607318878174,0.0,0.108120687305927,0.249284565448761,2.14913988113403,0.0,11.9886379241943,0.0166666675359011,0.0,0.403429180383682,0.01490711979568,0.0
InChI%3D1S%2FC9H13N%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5H%2C10H2%2C1-3H3,0.952529728412628,8.74811363220215,0.0328813493251801,1.73803389072418,0.222222223877907,1.19118571281433,2.33999991416931,14.0030784606934,0.0264298282563686,333.365173339844,26.0200004577637,13.5516910552979,0.0178787317126989,7.70789432525635,0.0,1.12373566627502,0.193095520138741,5.11154460906982,0.0,11.8500003814697,0.020833333954215,0.0,0.442260563373566,0.0745281279087067,0.0
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%2C1-2H3,1.03025674819946,9.92890167236328,0.0509343855082989,2.82867765426636,0.286596477031708,1.76278209686279,2.89000010490417,15.9959239959717,0.130086913704872,527.676391601562,44.4799995422363,21.756519317627,0.316135227680206,4.73153591156006,0.0,0.850901424884796,0.0884008780121803,15.9827899932861,0.0,11.8500003814697,0.0518340393900871,0.0,0.268588542938232,0.0656057596206665,0.0
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%2C1H3,1.33241188526154,10.663480758667,0.0367095209658146,3.35151839256287,0.445511013269424,2.3164176940918,2.77999997138977,15.9959230422974,0.0158297754824162,384.092041015625,60.1599998474121,13.2812767028809,0.26698899269104,6.94869804382324,2.0,1.8607474565506,0.153319329023361,15.9953508377075,0.0,11.9933423995972,0.0642361119389534,0.0,0.219509214162827,0.129106134176254,0.0
InChI%3D1S%2FC2HCl3O2%2Fc3-2%284%2C5%291%286%297%2Fh%28H%2C6%2C7%29,1.65470051765442,10.1373453140259,0.0353192761540413,0.727501928806305,0.0,0.0,1.12999999523163,34.9710578918457,0.148811712861061,183.36848449707,37.2999992370605,3.31120705604553,0.377061873674393,8.30865955352783,1.0,0.311786562204361,0.390266239643097,0.0,0.0,11.998706817627,0.0,0.0,0.248667925596237,0.0,0.0
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%2C21-22H2,1.47713649272919,12.5848503112793,0.0560946017503738,3.57229280471802,0.394337564706802,2.43646693229675,3.22000002861023,14.0051031112671,0.0763059481978416,517.054931640625,75.8899993896484,17.264518737793,0.0644989758729935,4.30144262313843,0.0,1.43117260932922,0.122992366552353,27.5189113616943,0.0,11.8500003814697,0.0833333358168602,0.0,0.435199052095413,0.087630569934845,0.0
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%2C2H3,2.3372950553894,12.049786567688,0.0359461233019829,7.59232664108276,1.06862235069275,6.30407047271729,3.44000005722046,15.995924949646,0.0923905074596405,567.256652832031,37.2999992370605,29.3813819885254,0.214740142226219,3.46174025535583,1.0,7.44281673431396,0.154402643442154,21.3989067077637,0.0,11.8900003433228,0.367199093103409,0.0,0.18258236348629,0.756417214870453,0.0
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%29,5.53934621810913,12.9514112472534,0.0511205568909645,8.55436515808105,0.787201344966888,5.8026647567749,3.22000002861023,31.9730758666992,0.00349796004593372,975.701110839844,294.459991455078,44.7465896606445,0.799734055995941,1.43583297729492,5.0,4.06293201446533,0.0689190328121185,39.8838005065918,0.0,11.8500003814697,0.147771224379539,1.0,0.0804443135857582,0.211281001567841,0.0
InChI%3D1S%2FC3H10N2%2Fc1-2-3-5-4%2Fh5H%2C2-4H2%2C1H3,0.0,6.13325881958008,0.0503006763756275,0.394337564706802,0.0,0.144337564706802,1.57000005245209,14.1130771636963,0.068588100373745,313.351043701172,38.0499992370605,9.61207008361816,0.0258238483220339,17.614429473877,0.0,0.0,0.2207190990448,0.0,0.0,11.9989995956421,0.0,1.0,0.140045076608658,0.0,0.0
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%29,2.51230525970459,11.6217594146729,0.0478622615337372,4.34638118743896,0.32819864153862,2.77875185012817,2.33999991416931,31.9720726013184,0.0710484832525253,450.681854248047,,26.3368988037109,0.638088941574097,2.53132963180542,4.0,1.64263105392456,0.121322743594646,16.0254917144775,0.0,11.9883060455322,0.0766792371869087,2.0,0.303985953330994,0.0830052196979523,0.0
InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2,0.735702276229858,9.04888343811035,0.0585062392055988,1.96140730381012,0.301472395658493,1.23318195343018,2.23000001907349,15.996922492981,0.0928386524319649,315.099670410156,38.689998626709,14.7640695571899,0.38530245423317,8.20064449310303,0.0,0.697288453578949,0.163438007235527,9.72190475463867,0.0,11.8500003814697,0.0580769516527653,0.0,0.186269327998161,0.061677772551775,0.0
InChI%3D1S%2FC10H12Cl2O2%2Fc11-7-13-5-9-1-2-10%284-3-9%296-14-8-12%2Fh1-4H%2C5-8H2,0.40824830532074,8.55247211456299,0.0440363995730877,2.02333879470825,0.117851130664349,1.1988707780838,2.11999988555908,34.970157623291,0.0913077592849731,463.366424560547,18.4599990844727,17.7904834747314,0.456876963376999,4.39625644683838,0.0,0.393802672624588,0.116886273026466,7.88308000564575,0.0,11.9985313415527,0.0277777779847383,0.0,0.114118330180645,0.039283711463213,0.0
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3,0.40824830532074,7.406005859375,0.022532295435667,0.654653668403625,0.0,0.0,1.78999996185303,34.9693794250488,0.0698222741484642,344.598419189453,0.0,8.07244873046875,0.0280767232179642,34.1819496154785,0.0,0.0,0.290856301784515,1.0,0.0,11.9985990524292,0.0,0.0,0.426768273115158,0.0,0.0
InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2,0.0,8.54524803161621,0.0166717935353518,1.92857146263123,0.0,0.0,1.46000003814697,78.91943359375,0.153468176722527,251.531295776367,0.0,6.95282793045044,0.0663592517375946,40.5910453796387,0.0,0.0,0.168603703379631,0.0,0.0,11.9989070892334,0.0,0.0,0.302652031183243,0.0,0.0
InChI%3D1S%2FC5H14N2%2Fc1-2-3-4-5-7-6%2Fh7H%2C2-6H2%2C1H3,0.0,6.8876428604126,0.0497124791145325,0.924667656421661,0.0,0.477062076330185,1.78999996185303,14.1130790710449,0.0930412784218788,330.686889648438,38.0499992370605,13.9848976135254,0.0258236769586802,12.0739212036133,0.0,0.0,0.189083307981491,0.0,0.0,11.9989995956421,0.0,1.0,0.130870893597603,0.0,0.0
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%2Fh1-5H3,3.18048405647278,11.2567577362061,0.017839577049017,3.19214963912964,0.156742617487907,2.43341207504272,1.78999996185303,15.9999418258667,0.0869796052575111,512.183044433594,102.419998168945,20.1661052703857,0.168144136667252,5.48348951339722,6.0,3.36472344398499,0.136591956019402,0.0,0.0,11.8900003433228,0.015625,0.0,0.356153905391693,0.0600256361067295,0.0
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,0.0,6.39342927932739,0.0399861261248589,0.666666686534882,0.0,0.38490018248558,2.11999988555908,12.1500539779663,1.68189420723941e-10,259.056243896484,0.0,6.559241771698,0.0,2.26430296897888,,0.0,0.16666667163372,0.0,0.0,11.8500003814697,0.0370370373129845,,0.499992787837982,0.0,
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,1.15470051765442,11.6940746307373,0.0105708846822381,5.8567099571228,0.222222223877907,3.38137316703796,1.46000003814697,34.9739570617676,0.173174008727074,374.563720703125,0.0,9.07924175262451,0.298728197813034,8.7852897644043,0.0,6.42127370834351,0.108260042965412,0.0,0.0,11.9985628128052,0.0370370373129845,0.0,0.396150320768356,0.251976311206818,0.0
InChI%3D1S%2FC7H10N2%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C8-9H2%2C1H3,0.760079681873322,8.23973178863525,0.0537040792405605,1.30329406261444,0.20412415266037,0.658956468105316,2.00999999046326,14.0092802047729,0.014116233214736,293.494750976562,52.0400009155273,9.61207008361816,0.0318416431546211,7.97252988815308,0.0,0.428561210632324,0.154730126261711,5.85380077362061,0.0,11.9935121536255,0.0240562614053488,0.0,0.324738591909409,0.0518340393900871,0.0
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%2C1-2H3,1.00886201858521,11.5755014419556,0.0307674799114466,5.09444665908813,0.310301214456558,3.43199157714844,3.0,31.9720726013184,0.0874073803424835,564.141540527344,54.7400016784668,38.8197975158691,0.386446088552475,4.89492321014404,1.0,1.54764199256897,0.107027642428875,11.2608127593994,0.0,11.8500003814697,0.0580769516527653,0.0,0.328084290027618,0.0647992268204689,0.0
InChI%3D1S%2FC12H11N%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9H%2C13H2,0.538451671600342,9.94457149505615,0.0495666339993477,2.04558372497559,0.190371423959732,1.3776113986969,2.67000007629395,14.003080368042,0.0993565022945404,382.5244140625,26.0200004577637,11.3652772903442,0.0153520172461867,6.67271089553833,0.0,0.707068979740143,0.149490654468536,11.3998241424561,0.0,11.8500003814697,0.0598527938127518,0.0,0.190794363617897,0.0459639020264149,0.0
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%29,2.69691157341003,11.9616804122925,0.0537951253354549,7.32613372802734,0.494111806154251,4.81914091110229,2.55999994277954,34.969856262207,0.151955053210258,538.978210449219,191.130004882812,42.9474182128906,1.16181898117065,2.77970695495605,1.0,3.98633313179016,0.052032433450222,25.1398105621338,0.907166600227356,11.8500003814697,0.230946183204651,0.0,0.291268318891525,0.307199597358704,1.0
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%29,1.12200844287872,9.9207592010498,,2.74217414855957,0.435857951641083,1.9956511259079,1.46000003814697,31.9720726013184,,,,13.7644491195679,0.354995012283325,,2.0,1.03887152671814,,5.69378614425659,0.200000002980232,11.9989995956421,0.159856364130974,1.0,,0.137766435742378,0.0
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%2C1-5H3,5.11469078063965,13.0476455688477,0.0443959720432758,10.4827661514282,1.14778995513916,8.28645133972168,3.76999998092651,15.9999551773071,0.0982768461108208,563.289733886719,118.220001220703,49.0591087341309,0.507839798927307,0.14194455742836,1.0,11.6532392501831,0.0744908526539803,22.0230903625488,0.0,11.8900003433228,0.341478914022446,0.0,0.291894376277924,0.815297961235046,0.0
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%2C1-3H3,2.08073353767395,9.79938983917236,0.031130239367485,3.33383083343506,0.23848395049572,2.06583952903748,2.89000010490417,34.9688529968262,0.0844996646046638,549.882019042969,35.5299987792969,23.7945194244385,0.454747587442398,1.21193480491638,1.0,1.59116077423096,0.199655324220657,14.4015293121338,0.0,11.8500003814697,0.0555555559694767,0.0,0.13139645755291,0.0706150457262993,0.0
InChI%3D1S%2FC4H6%2Fc1-3-4-2%2Fh3-4H%2C1-2H2,0.0,5.9972972869873,0.036975834518671,0.16666667163372,0.0,0.0,1.89999997615814,12.2100191116333,0.0151592334732413,256.701690673828,0.0,6.559241771698,0.0,6.96095895767212,0.0,0.0,0.181896656751633,0.0,0.0,11.789999961853,0.0,0.0,0.302358984947205,0.0,0.0
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%2C1H3,1.58440625667572,10.7168750762939,0.0350137427449226,3.45024061203003,0.422030478715897,2.50855207443237,2.55999994277954,15.9979314804077,0.0284130647778511,473.761840820312,68.2799987792969,13.0108633041382,0.309093177318573,9.55692577362061,4.0,2.01969695091248,0.161840945482254,15.9953508377075,0.0,11.8500003814697,0.0642361119389534,0.0,0.225652575492859,0.12639494240284,0.0
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,0.333333343267441,8.88276863098145,0.036187756806612,1.65868926048279,0.235702261328697,1.13290584087372,2.55999994277954,12.1501121520996,2.77761480482752e-09,346.175689697266,0.0,8.74565601348877,0.0,1.64641845226288,0.0,0.5,0.125589475035667,8.59655952453613,0.0,11.8500003814697,0.0555555559694767,0.0,0.340376764535904,0.0641500279307365,0.0
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%2C1-4H3,3.89808940887451,13.2456035614014,0.0498446077108383,7.8988299369812,2.99700427055359,6.18051719665527,3.0,16.0066509246826,0.144339442253113,376.941680908203,118.220001220703,31.5677967071533,0.544784069061279,4.00520467758179,1.0,8.88332939147949,0.0803022682666779,11.5696105957031,0.0,11.9884157180786,0.980714797973633,0.0,0.338004797697067,1.66323065757751,0.0
InChI%3D1S%2FC8H20N2%2Fc1-3-5-7-10%289%298-6-4-2%2Fh3-9H2%2C1-2H3,0.288675129413605,8.05663394927979,0.0367320366203785,1.5977611541748,0.0,0.834212124347687,2.11999988555908,14.0040817260742,0.0781966373324394,389.179260253906,29.2600002288818,21.8641395568848,0.053813599050045,5.21629667282104,0.0,0.193649172782898,0.164783552289009,0.0,0.0,11.8900003433228,0.0,0.0,0.188743650913239,0.0,1.0
InChI%3D1S%2FC2H6N2O%2Fc1-4%283%292-5%2Fh2H%2C3H2%2C1H3,0.40824830532074,6.00500297546387,0.0754233077168465,0.166267320513725,0.0,0.0,1.35000002384186,16.0059242248535,0.0790164470672607,203.989273071289,46.3300018310547,7.51724195480347,0.195165738463402,17.6485786437988,1.0,0.0,0.275110989809036,0.0,0.0,11.9889097213745,0.0,0.0,0.391211211681366,0.0,1.0
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%29,0.89516818523407,9.29199504852295,0.0566670894622803,2.52325201034546,0.256364077329636,1.60636961460114,2.11999988555908,14.0094022750854,0.0660733282566071,432.953094482422,,17.7181053161621,0.208152368664742,3.86342787742615,0.0,0.695948123931885,0.127654105424881,7.89757919311523,0.0,11.994402885437,0.0737416818737984,1.0,0.161461070179939,0.0778678804636002,0.0
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%29,2.18682599067688,10.1191663742065,0.033663671463728,2.29582524299622,0.175366476178169,1.57055389881134,2.33999991416931,34.970157623291,0.160688877105713,416.575347900391,32.5900001525879,14.1852769851685,0.209290400147438,10.09792137146,0.0,1.39513182640076,0.188881888985634,7.49349641799927,0.0,11.9985237121582,0.0240562614053488,0.0,0.214541181921959,0.0665826052427292,0.0
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%29,1.24845516681671,8.71534633636475,0.0290477313101292,1.72996127605438,0.135508760809898,1.18237721920013,1.89999997615814,16.0169982910156,0.0302734114229679,489.317260742188,75.9599990844727,17.6104831695557,0.342639356851578,8.35179901123047,2.0,0.641410350799561,0.17135551571846,7.18844223022461,0.25,11.9989995956421,0.0240562614053488,0.0,0.137348771095276,0.0313375033438206,0.0
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%29,0.945705771446228,10.3081569671631,0.044395063072443,3.20450973510742,0.107038088142872,2.29928851127625,2.45000004768372,34.970157623291,0.0440168380737305,459.8642578125,40.5400009155273,24.5489330291748,0.373131155967712,10.6297807693481,1.0,1.05117642879486,0.169248566031456,10.6466913223267,0.0,11.9985179901123,0.0277777779847383,0.0,0.138064563274384,0.0320644564926624,1.0
InChI%3D1S%2FC7H7Cl%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6H2,0.20412415266037,8.47887992858887,0.0298466775566339,1.3057347536087,0.0721687823534012,0.745271801948547,2.11999988555908,34.9693794250488,0.0396863333880901,356.012359619141,0.0,8.07244873046875,0.0492447726428509,23.7192344665527,0.0,0.272154480218887,0.149595350027084,3.96540641784668,0.0,11.9985513687134,0.0320750139653683,0.0,0.31623438000679,0.0226804614067078,0.0
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%29,1.21379792690277,10.481333732605,0.0431665256619453,2.98564219474792,0.696713507175446,2.21493148803711,2.33999991416931,14.0089292526245,0.0164717547595501,341.094482421875,52.0099983215332,17.078483581543,0.212462276220322,11.8592891693115,0.0,1.87188005447388,0.160922482609749,8.6147813796997,0.63245552778244,11.994384765625,0.109435893595219,1.0,0.319233357906342,0.176788255572319,1.0
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%29,5.35378885269165,12.0744886398315,0.0398248285055161,11.8547830581665,1.0168741941452,7.91240072250366,4.42999982833862,16.00905418396,0.101262867450714,856.007202148438,,78.5640029907227,1.57845425605774,0.373246014118195,3.0,7.33929777145386,0.0467664711177349,31.4953594207764,1.12468266487122,11.9882774353027,0.15311436355114,1.0,0.229514375329018,0.288151621818542,2.0
InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29,0.666666686534882,8.18281364440918,0.0539634749293327,0.560031235218048,0.0,0.0,1.24000000953674,34.9701538085938,0.16018009185791,156.997695922852,37.2999992370605,3.98441410064697,0.332954734563828,12.8959312438965,1.0,0.0,0.354477733373642,0.0,0.0,11.998706817627,0.0,0.0,0.191932216286659,0.0,0.0
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%2C16-17H2,1.35105729103088,9.86156463623047,0.0412157885730267,3.19262623786926,0.368390560150146,2.00318169593811,2.45000004768372,34.970157623291,0.103357166051865,460.835052490234,52.0400009155273,12.6384840011597,0.0922558382153511,4.92204761505127,0.0,1.36088800430298,0.102954588830471,15.8385400772095,0.0,11.9985208511353,0.0481125228106976,0.0,0.154352858662605,0.116352938115597,0.0
InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3,0.577350258827209,5.86555194854736,0.0509193763136864,0.0,0.0,0.0,1.46000003814697,14.113076210022,0.08326106518507,215.087371826172,29.2600002288818,8.74565601348877,0.0596734099090099,10.0696458816528,0.0,0.0,0.263350993394852,0.0,0.0,11.9989995956421,0.0,0.0,0.419728100299835,0.0,1.0
InChI%3D1S%2FC8H20N2%2Fc1-3-5-7-9-10-8-6-4-2%2Fh9-10H%2C3-8H2%2C1-2H3,0.0,7.03813600540161,0.0338422954082489,1.43566012382507,0.0,0.70710676908493,2.11999988555908,14.0040817260742,0.0599049739539623,404.905029296875,24.0599994659424,21.8641395568848,0.0592663437128067,0.0,0.0,0.0,0.168968960642815,0.0,0.0,11.8900003433228,0.0,2.0,0.228623703122139,0.0,0.0
InChI%3D1S%2FC12H11N%2Fc13-12-8-6-11%287-9-12%2910-4-2-1-3-5-10%2Fh1-9H%2C13H2,0.622008442878723,9.53583335876465,0.0495385676622391,2.01780605316162,0.190371423959732,1.30617260932922,2.67000007629395,14.003080368042,0.0308899004012346,397.939819335938,26.0200004577637,11.3652772903442,0.0153829231858253,13.9669036865234,0.0,0.580187559127808,0.150490432977676,11.7084808349609,0.0,11.8500003814697,0.0598527938127518,0.0,0.160541176795959,0.0459639020264149,0.0
InChI%3D1S%2FC2H3Cl3%2Fc3-1-2%284%295%2Fh2H%2C1H2,0.40824830532074,8.7640151977539,0.0344518646597862,1.04978132247925,0.0,0.0,1.35000002384186,34.9710578918457,0.257617741823196,360.982208251953,0.0,4.53962087631226,0.152642473578453,25.2306060791016,0.0,0.0,0.390548408031464,1.0,0.0,11.998706817627,0.0,0.0,0.258661717176437,0.0,0.0
InChI%3D1S%2FC6H12N2O%2Fc9-7-8-5-3-1-2-4-6-8%2Fh1-6H2,0.20412415266037,7.42852210998535,0.0256423726677895,1.69792556762695,0.0,1.13564145565033,1.78999996185303,15.9949169158936,0.167759627103806,362.370574951172,32.6699981689453,14.7364835739136,0.058386106044054,1.21654760837555,1.0,0.207735031843185,0.0949890539050102,0.0,1.0,11.8999996185303,0.0,0.0,0.378831207752228,0.0,1.0
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%29,1.30341649055481,9.00277137756348,0.0443236753344536,3.23043608665466,0.164266422390938,1.99568200111389,3.0,15.9969301223755,0.0441039949655533,595.936462402344,62.0499992370605,32.7525901794434,0.370870351791382,5.87724924087524,0.0,0.714346528053284,0.11564339697361,12.0373210906982,0.0,11.8900003433228,0.0240562614053488,0.0,0.0980940833687782,0.0375895611941814,0.0
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%2C1-4H3,1.40824830532074,9.4468011856079,0.0320114493370056,3.31372451782227,0.214076176285744,2.0595850944519,3.10999989509583,14.0092868804932,0.109698332846165,585.7060546875,6.48000001907349,28.0105533599854,0.166427701711655,1.72687411308289,0.0,1.26497995853424,0.0585708767175674,14.3116302490234,0.0,11.9933195114136,0.0555555559694767,0.0,0.118652567267418,0.0641289129853249,2.0
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%29,8.81057643890381,12.9253206253052,0.0441787131130695,10.2356443405151,0.937020421028137,7.05727195739746,2.11999988555908,31.9753131866455,0.0874740928411484,726.827453613281,426.420013427734,54.0569686889648,1.35550630092621,1.57106566429138,10.0,5.80765914916992,0.0515727698802948,37.7282447814941,0.0,11.9989995956421,0.125863581895828,2.0,0.21323125064373,0.275738030672073,0.0
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,0.0,7.11486625671387,0.0292602945119143,0.534522473812103,0.0,0.303045749664307,1.57000005245209,34.9701538085938,0.0819505006074905,378.625305175781,0.0,5.21282815933228,0.0772592276334763,36.1017227172852,0.0,0.0,0.231378927826881,0.0,0.0,11.9986352920532,0.0,0.0,0.220146894454956,0.0,0.0
InChI%3D1S%2FC2H2Cl4%2Fc3-1-2%284%2C5%296%2Fh1H2,1.56066012382507,10.7188091278076,0.00922624487429857,1.36370599269867,0.0,0.0,1.24000000953674,34.9720077514648,0.233705684542656,274.243103027344,0.0,3.86641407012939,0.190266981720924,20.0443077087402,0.0,0.584445416927338,0.558782637119293,0.0,0.0,11.998706817627,0.0,0.0,0.292994409799576,0.0,0.0
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%29,2.66583180427551,8.80393695831299,0.0552629381418228,2.70034766197205,0.165963649749756,1.7373263835907,1.57000005245209,19.001256942749,0.114897198975086,446.695007324219,107.589996337891,27.6799335479736,0.617892742156982,3.52914094924927,0.0,0.640296638011932,0.167336493730545,5.5662636756897,1.21644043922424,11.9974336624146,0.0645284727215767,2.0,0.245282605290413,0.0581285208463669,1.0
InChI%3D1S%2FC7H9N%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5H%2C8H2%2C1H3,0.577350258827209,7.63714265823364,0.0421718917787075,1.07735025882721,0.16666667163372,0.566452920436859,2.11999988555908,14.003077507019,0.015503135509789,315.814971923828,26.0200004577637,9.17886257171631,0.0168173983693123,10.8195085525513,,0.239411175251007,0.208197668194771,5.65685415267944,0.0,11.8500003814697,0.0277777779847383,,0.249953776597977,0.0438152849674225,
InChI%3D1S%2FC3H5NO2%2Fc1-2-6-3%284%295%2Fh2H%2C1H2%2C%28H2%2C4%2C5%29,0.40824830532074,5.55851697921753,0.069272369146347,0.194963529706001,0.0,0.0789344683289528,1.46000003814697,15.9982585906982,1.6151196177816e-05,180.343688964844,53.310001373291,7.38203477859497,0.231235846877098,11.8874759674072,0.0,0.0186339002102613,0.298696279525757,0.5,0.0,11.9965486526489,0.0,0.0,0.178024441003799,0.0,0.0
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,1.39516818523407,9.72992134094238,0.0281578991562128,2.69974112510681,0.291233360767365,1.76791286468506,2.11999988555908,34.9698524475098,0.0710036158561707,569.831848144531,43.3699989318848,11.6644487380981,0.232480511069298,4.80050897598267,2.0,1.06673061847687,0.125786408782005,13.0106897354126,0.0,11.8500003814697,0.0518340393900871,0.0,0.127203583717346,0.0881382301449776,0.0
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%29,1.36557853221893,10.8326835632324,0.0739290937781334,3.44855713844299,0.40759339928627,2.51151442527771,2.00999999046326,14.0106678009033,0.137667834758759,421.450744628906,121.839996337891,20.5645198822021,0.331382423639297,3.63835096359253,0.0,1.62696886062622,0.0840854421257973,8.4934778213501,0.0,11.994384765625,0.0801875367760658,4.0,0.243015021085739,0.118465080857277,0.0
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,0.0,6.53172636032104,0.0443972088396549,0.0,0.0,0.0,1.35000002384186,34.9701538085938,0.188353389501572,324.193969726562,0.0,3.0264139175415,0.104592353105545,40.5810012817383,0.0,0.0,0.500762104988098,0.0,0.0,11.9994735717773,0.0,0.0,0.335659831762314,0.0,0.0
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3,1.56066012382507,7.49042320251465,0.0308065917342901,0.61237245798111,0.0,0.0,1.89999997615814,15.9949159622192,0.235134929418564,306.047119140625,9.22999954223633,15.0344839096069,0.168171614408493,16.9539222717285,0.0,0.20412415266037,0.123332180082798,0.0,0.0,11.8900003433228,0.0,0.0,0.273287534713745,0.0,0.0
InChI%3D1S%2FC6H14O2%2Fc1-2-3-5-8-6-4-7%2Fh7H%2C2-6H2%2C1H3,0.0,6.4919810295105,0.0437226071953773,0.877853214740753,0.0,0.413011431694031,1.89999997615814,15.9982585906982,0.0556373111903667,294.421295166016,29.4599990844727,17.2208976745605,0.269802421331406,15.5029811859131,0.0,0.0,0.227923065423965,0.0,0.0,11.9963550567627,0.0,0.0,0.0993382781744003,0.0,0.0
InChI%3D1S%2FC8H16N2O%2Fc1-3-4-5-6-7-9-10%282%298-11%2Fh7-8H%2C3-6H2%2C1-2H3,0.288675129413605,7.39358568191528,0.0350538231432438,1.35311305522919,0.0,0.699366331100464,2.00999999046326,16.0059261322021,0.0347646810114384,400.105163574219,32.6699981689453,20.4293117523193,0.242558270692825,12.8495960235596,1.0,0.0743570029735565,0.239992961287498,0.0,1.0,11.9886302947998,0.0,0.0,0.0804455652832985,0.0,1.0
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%2C1-2H3,1.13807117938995,10.0171718597412,0.0502053536474705,2.800288438797,0.310875236988068,1.78141415119171,2.55999994277954,15.9982633590698,0.0380113087594509,463.470336914062,70.5,20.0033111572266,0.340085357427597,3.42027568817139,0.0,1.10783922672272,0.0797325149178505,15.0080585479736,0.0,11.9961957931519,0.0481125228106976,0.0,0.208877921104431,0.0714758932590485,0.0
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%29,0.894173979759216,10.0911874771118,0.0502603240311146,3.7165515422821,0.648104131221771,3.01035833358765,2.11999988555908,14.0089263916016,0.0964590460062027,403.881256103516,53.7000007629395,22.977725982666,0.229221642017365,1.8588547706604,0.0,1.88137233257294,0.149167090654373,8.9062271118164,1.0,11.9944229125977,0.219020053744316,2.0,0.239372238516808,0.315344512462616,1.0
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%2C3-4H2,2.35380864143372,13.2399339675903,0.026368111371994,4.03246784210205,0.615596115589142,3.24216198921204,1.67999994754791,34.9710578918457,0.176400944590569,373.549652099609,62.6800003051758,16.1816558837891,0.43500217795372,6.87109088897705,2.0,3.6075336933136,0.273214757442474,6.87156677246094,0.0,11.9985370635986,0.184332758188248,0.0,0.224203065037727,0.278502225875854,1.0
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%29,2.60760712623596,10.1799783706665,,2.70586347579956,0.464041620492935,1.82236266136169,1.24000000953674,31.9720726013184,,,132.679992675781,16.0738277435303,0.809455096721649,,2.0,0.953585743904114,,5.87101554870605,0.338061690330505,11.9974594116211,0.107108667492867,0.0,,0.111772589385509,0.0
InChI%3D1S%2FC3H4O2%2Fc4-2-1-3-5%2Fh1-4H,0.0,5.54275465011597,0.0816201269626617,0.164633721113205,0.0,0.0351364202797413,1.57000005245209,16.0060234069824,2.66947997040745e-09,150.512130737305,37.2999992370605,5.33082818984985,0.203314870595932,19.220890045166,1.0,0.0,0.325980395078659,0.0,0.0,11.9888439178467,0.0,0.0,0.215745434165001,0.0,0.0
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%2C3H2,2.68646693229675,15.5414514541626,0.0187482293695211,9.41585636138916,2.74808025360107,7.61427307128906,2.11999988555908,34.9739570617676,0.256413191556931,514.855285644531,0.0,11.2656564712524,0.254131346940994,7.02970314025879,0.0,16.9049129486084,0.212239563465118,7.7707200050354,0.0,11.9985237121582,0.845332324504852,0.0,0.27718311548233,2.54049110412598,0.0
InChI%3D1S%2FC10H9N%2Fc11-10-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7H%2C11H2,0.538451671600342,9.42484188079834,0.0478522814810276,1.82336151599884,0.27130451798439,1.25046277046204,2.45000004768372,14.0030794143677,0.000890120514668524,322.488403320312,26.0200004577637,9.17886257171631,0.0153520172461867,8.87715721130371,0.0,0.707068979740143,0.175745636224747,10.127366065979,0.0,11.8500003814697,0.0518340393900871,0.0,0.404960483312607,0.0715930610895157,0.0
InChI%3D1S%2FC6H6O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4%2C7-8H,0.577350258827209,6.77386045455933,0.0658842772245407,0.849709272384644,0.16666667163372,0.452632397413254,1.89999997615814,15.9959173202515,1.26664545518906e-09,174.930328369141,40.4599990844727,6.559241771698,0.110546119511127,15.0752372741699,0.0,0.135756701231003,0.259644895792007,5.65685415267944,0.0,11.8500003814697,0.0277777779847383,0.0,0.347672641277313,0.0248451996594667,0.0
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%2C9-10H2,1.26256453990936,10.2324371337891,0.0449147969484329,3.89605355262756,0.549626410007477,2.86801719665527,2.77999997138977,15.995924949646,0.10892516374588,457.740966796875,40.6199989318848,17.6744842529297,0.355355232954025,6.55515336990356,2.0,1.99653136730194,0.181211099028587,18.7522296905518,0.0,11.9943332672119,0.0909108966588974,0.0,0.165888622403145,0.164997741580009,2.0
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%29,4.36735963821411,11.1920433044434,0.0351281650364399,8.61160182952881,0.0,5.67879629135132,3.44000005722046,16.0093593597412,0.15790393948555,668.991088867188,288.510009765625,73.4192123413086,1.58742237091064,1.90451967716217,6.0,3.33178734779358,0.0462505519390106,35.7020988464355,0.0,11.9961042404175,0.0,0.0,0.203410133719444,0.0,0.0
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%29,0.810617208480835,8.62838172912598,0.0467215813696384,1.26175963878632,0.0589255653321743,0.699512898921967,1.78999996185303,15.995922088623,0.127083361148834,270.234619140625,74.5800018310547,12.7768630981445,0.332107037305832,13.9843721389771,1.0,0.273624956607819,0.198022246360779,4.49915361404419,0.0,11.8500003814697,0.0248451996594667,1.0,0.150772958993912,0.0124225998297334,0.0
InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29,0.569035589694977,9.13381862640381,0.0430341176688671,2.02714014053345,0.0,1.18738877773285,1.67999994754791,31.9720706939697,0.108524732291698,276.341094970703,88.620002746582,16.7896919250488,0.267620921134949,8.59170532226562,1.0,0.199702873826027,0.236818790435791,2.40685200691223,0.0,11.9963550567627,0.0,0.0,0.216204792261124,0.0,0.0
InChI%3D1S%2FC4H8N2O%2Fc7-5-6-3-1-2-4-6%2Fh1-4H2,0.20412415266037,6.7030177116394,0.0267022754997015,1.19792556762695,0.102062076330185,0.782087981700897,1.57000005245209,15.9949169158936,0.111397512257099,325.963256835938,32.6699981689453,10.3636560440063,0.0585289783775806,1.49035620689392,1.0,0.207735031843185,0.122495785355568,0.0,1.0,11.8999996185303,0.0500000007450581,0.0,0.372879594564438,0.020412415266037,1.0
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%2C1-6H3,3.92104625701904,13.7884788513184,0.035554014146328,7.8575611114502,2.04843640327454,6.18275213241577,3.10999989509583,16.0033874511719,0.114335440099239,531.108642578125,120.889999389648,49.6230392456055,1.25618600845337,3.2625777721405,3.0,9.03449058532715,0.0816337987780571,13.6559495925903,0.0,11.996636390686,0.41952982544899,0.0,0.217491194605827,1.01448142528534,0.0
InChI%3D1S%2FC4H3FN2O2%2Fc5-2-1-6-4%289%297-3%282%298%2Fh1H%2C%28H2%2C6%2C7%2C8%2C9%29,0.760079681873322,6.42212104797363,0.0924481675028801,0.712881088256836,0.20412415266037,0.349135011434555,1.35000002384186,18.998405456543,3.58951535162078e-09,72.5543594360352,66.2399978637695,7.12262105941772,0.370135307312012,9.89018440246582,0.0,0.152373015880585,0.2115718126297,1.88988161087036,0.0,11.9886379241943,0.0144337564706802,0.0,0.372571408748627,0.0183653924614191,0.0
InChI%3D1S%2FC2H5NS%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,0.577350258827209,7.7129545211792,0.0465251728892326,0.0,0.0,0.0,1.46000003814697,31.972677230835,0.0523788072168827,273.249694824219,62.6500015258789,7.74603509902954,0.0396737493574619,26.4012451171875,0.0,0.0,0.421717315912247,0.0,0.0,11.9986572265625,0.0,0.0,0.287276655435562,0.0,0.0
InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2,0.926776707172394,6.59544563293457,0.0486523061990738,1.8172310590744,0.0,1.13718342781067,1.24000000953674,34.9710578918457,0.0799925178289413,440.699554443359,54.5699996948242,28.5644836425781,0.72691822052002,0.512704849243164,1.0,0.3820461332798,0.287396132946014,0.0,0.0,11.9985628128052,0.0,0.0,0.347104907035828,0.0,0.0
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,0.20412415266037,8.12963104248047,0.0321821495890617,1.25107300281525,0.0721687823534012,0.713712811470032,2.33999991416931,12.1500825881958,0.0708043053746223,329.796234130859,0.0,10.9320697784424,0.00121357454918325,4.71219968795776,,0.253933906555176,0.140554934740067,3.96540641784668,0.0,11.8500003814697,0.0320750139653683,,0.243496358394623,0.0226804614067078,
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%29,1.07690334320068,10.4352607727051,0.0464366190135479,3.4849259853363,0.667927622795105,2.60773539543152,2.45000004768372,14.0050926208496,0.147042647004128,369.170806884766,,17.7181053161621,0.128570348024368,12.526008605957,0.0,1.92890560626984,0.161911249160767,10.8201303482056,0.0,11.8500003814697,0.160207107663155,2.0,0.246005609631538,0.256880134344101,0.0
InChI%3D1S%2FC4H7NO2%2Fc1-2-4%287%295-3-6%2Fh2%2C6H%2C1%2C3H2%2C%28H%2C5%2C7%29,0.288675129413605,6.71138143539429,0.0746513232588768,0.415282636880875,0.0,0.136997327208519,1.57000005245209,15.9982585906982,0.0798815563321114,192.918914794922,52.8199996948242,8.97244930267334,0.252474099397659,13.1293659210205,0.0,0.0471249334514141,0.205584391951561,1.41421353816986,0.0,11.9964609146118,0.0,0.0,0.203088775277138,0.0,0.0
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%29,1.03745746612549,9.82960891723633,,2.42537569999695,0.499262422323227,1.62788236141205,1.35000002384186,31.9720726013184,,,138.139999389648,12.0112419128418,0.369802713394165,,2.0,0.826438367366791,,5.69378614425659,0.338061690330505,11.9989995956421,0.111281804740429,1.0,,0.119003258645535,0.0
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%29,1.29103946685791,11.9949417114258,0.0514275915920734,2.96345019340515,0.25716707110405,1.9982715845108,2.23000001907349,15.9969263076782,0.195323973894119,285.986694335938,82.25,16.7164840698242,0.415953427553177,2.61186099052429,,2.1247763633728,0.218649342656136,7.5181999206543,0.0,11.8500003814697,0.0445750132203102,0.0,0.286750197410583,0.0474097840487957,
InChI%3D1S%2FC4H4N2OS%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,0.577350258827209,8.70703887939453,0.0674311593174934,0.843632221221924,0.16666667163372,0.508315861225128,1.46000003814697,31.972677230835,2.64411603723147e-09,214.216461181641,84.8099975585938,9.29282760620117,0.217491880059242,13.9253196716309,0.0,0.235394597053528,0.250124216079712,2.14913988113403,0.0,11.9985370635986,0.0166666675359011,0.0,0.368321001529694,0.0298142395913601,0.0
InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3,0.40824830532074,5.63900327682495,0.0281533822417259,0.163299322128296,0.0,0.0,1.35000002384186,16.0168151855469,0.0883395969867706,280.568084716797,32.6699981689453,8.17724227905273,0.0653609186410904,4.37881994247437,1.0,0.0,0.138189539313316,0.0,1.0,11.9989995956421,0.0,0.0,0.351259112358093,0.0,1.0
InChI%3D1S%2FC12H10FN%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C14H2,0.910683631896973,9.5301446914673,0.0471414737403393,2.08823871612549,0.262891709804535,1.31790840625763,2.55999994277954,18.998405456543,0.0310270730406046,352.519500732422,26.0200004577637,11.4750699996948,0.0788629651069641,7.17134141921997,0.0,0.630112171173096,0.139150008559227,14.0599384307861,0.0,11.8500003814697,0.0555555559694767,0.0,0.159477099776268,0.0543142966926098,0.0
InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29,0.5,7.19338083267212,0.065675713121891,0.654852211475372,0.0,0.280117720365524,1.12999999523163,16.0169315338135,0.11352426558733,223.48274230957,96.9800033569336,9.27044868469238,0.255220711231232,5.41333723068237,1.0,0.151606187224388,0.192047834396362,0.81649661064148,1.0,11.9989995956421,0.0,0.0,0.293568402528763,0.0,1.0
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%2C1H3,3.38625907897949,11.9044675827026,0.0299773570150137,11.5764141082764,1.0843780040741,9.00854682922363,4.98000001907349,34.9720153808594,0.0566255301237106,1070.17687988281,59.0800018310547,61.6755218505859,0.884966492652893,0.142971739172935,2.0,7.32278966903687,0.0808625519275665,50.0928421020508,0.0,11.9984951019287,0.354475796222687,0.0,0.359739452600479,0.58070033788681,2.0
InChI%3D1S%2FC7H8ClN%2Fc1-5-4-6%288%292-3-7%285%299%2Fh2-4H%2C9H2%2C1H3,0.760079681873322,8.65001678466797,0.0335708148777485,1.46694386005402,0.20412415266037,0.865769684314728,2.00999999046326,34.9688529968262,0.0167348366230726,320.900787353516,26.0200004577637,8.50565624237061,0.0411603711545467,9.3879222869873,0.0,0.6297926902771,0.202622637152672,5.85380077362061,0.0,11.9935121536255,0.0240562614053488,0.0,0.412996143102646,0.0652223899960518,0.0
InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,1.65470051765442,10.2115564346313,0.0490681864321232,0.878310084342957,0.0,0.0,1.12999999523163,34.9710578918457,0.201279059052467,191.098114013672,40.4599990844727,4.53962087631226,0.341715097427368,9.80192089080811,0.0,0.376418590545654,0.298995167016983,0.0,0.0,11.998706817627,0.0,0.0,0.294732093811035,0.0,0.0
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%2C1-2H3,1.93663287162781,11.0784463882446,0.0294894073158503,3.59411907196045,0.198741674423218,2.09565162658691,1.57000005245209,34.9720077514648,0.113986648619175,516.024353027344,54.5699996948242,25.7048625946045,0.666208922863007,2.60145163536072,1.0,1.88407516479492,0.287738502025604,8.04132747650146,0.0,11.9985313415527,0.020833333954215,0.0,0.221064373850822,0.0812850072979927,0.0
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%29,0.826132595539093,10.5310735702515,0.0608230642974377,3.40361046791077,0.359116762876511,2.51868653297424,1.89999997615814,31.9720726013184,0.104456521570683,376.68212890625,105.199996948242,16.2648983001709,0.133217498660088,4.95266246795654,0.0,1.34551644325256,0.0993306338787079,9.28654956817627,0.0,11.8500003814697,0.172115340828896,2.0,0.130397588014603,0.193159401416779,0.0
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%2C1-6H3,2.90588569641113,11.7665977478027,0.0404082536697388,10.2356986999512,1.11555051803589,8.27141380310059,3.88000011444092,16.0029983520508,0.121963925659657,831.471496582031,0.0,63.8826942443848,1.4899822473526,1.00458431243896,2.0,6.64595460891724,0.0778286159038544,35.1200637817383,0.333333343267441,11.8999996185303,0.277948379516602,1.0,0.403928399085999,0.577194035053253,1.0
InChI%3D1S%2FC6H13NO%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H2%2C7%2C8%29,0.40824830532074,7.10289907455444,0.0466032810509205,1.01713347434998,0.0,0.542445302009583,1.89999997615814,15.9979429244995,0.0995467454195023,259.843902587891,44.0800018310547,14.21169090271,0.0949502065777779,17.9984512329102,0.0,0.0395284704864025,0.257579475641251,1.80720400810242,0.0,11.9963550567627,0.0,0.0,0.169601619243622,0.0,0.0
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%29,1.44570577144623,10.5850076675415,0.0399569198489189,2.48601484298706,0.464041620492935,1.76368987560272,1.35000002384186,31.9720726013184,0.00360869779251516,391.732574462891,145.570007324219,15.0844488143921,0.401251345872879,5.55426263809204,2.0,1.01033639907837,0.157428368926048,3.71151256561279,0.504717230796814,11.9962921142578,0.0902296081185341,1.0,0.0896313712000847,0.106034249067307,0.0
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%29,4.10454368591309,12.4836111068726,0.0391864627599716,8.36875534057617,0.976046919822693,7.11162328720093,3.54999995231628,15.9959278106689,0.124445758759975,517.335144042969,,41.9954528808594,0.292664676904678,2.89471483230591,0.0,9.32795143127441,0.11506749689579,18.9452610015869,0.0,11.8900003433228,0.349779695272446,0.0,0.195321500301361,0.762946903705597,0.0
InChI%3D1S%2FC2H5N3O2%2Fc1-5%284-7%292%283%296%2Fh1H3%2C%28H2%2C3%2C6%29,0.569035589694977,6.44700574874878,0.0479131415486336,0.428999245166779,0.0,0.0386698320508003,1.12999999523163,15.9982595443726,0.207525968551636,183.927917480469,76.75,7.08403491973877,0.161995515227318,13.6308660507202,1.0,0.0477985441684723,0.281978189945221,0.0,1.0,11.9966869354248,0.0,0.0,0.288047820329666,0.0,1.0
InChI%3D1S%2FC7H10N2%2Fc8-9-6-7-4-2-1-3-5-7%2Fh1-5%2C9H%2C6%2C8H2,0.20412415266037,8.31838130950928,0.0585443675518036,1.14901089668274,0.0721687823534012,0.713712811470032,2.00999999046326,14.0040807723999,0.0935396179556847,314.066528320312,38.0499992370605,9.61207008361816,0.0308699980378151,5.54895782470703,0.0,0.219913199543953,0.164114952087402,3.96540641784668,0.0,11.8500003814697,0.0320750139653683,1.0,0.231604307889938,0.0226804614067078,0.0
InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H,0.622008442878723,8.57438373565674,0.0534730888903141,1.79486393928528,0.282117545604706,1.22033607959747,2.23000001907349,15.9977855682373,0.0332370921969414,256.529663085938,26.2999992370605,11.6196556091309,0.244870468974113,7.23567485809326,1.0,0.569400668144226,0.340491086244583,8.44211196899414,0.0,11.9967565536499,0.0532932952046394,0.0,0.296813607215881,0.0708615332841873,0.0
InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2,0.0,3.97737240791321,0.0476121939718723,0.0,0.0,0.0,1.57000005245209,15.9974164962769,0.128890424966812,153.413757324219,12.5299997329712,6.28882789611816,0.181732878088951,43.0885238647461,0.0,0.0,0.187773495912552,0.0,0.0,11.997163772583,0.0,0.0,0.253036051988602,0.0,0.0
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%29,1.21379792690277,11.0772953033447,0.0440715551376343,3.9448356628418,0.722711324691772,3.04431939125061,2.55999994277954,14.0050935745239,0.120810464024544,402.307739257812,,19.9045181274414,0.133231282234192,5.97377824783325,0.0,2.75430274009705,0.156769096851349,8.77423095703125,0.0,11.8999996185303,0.151780605316162,2.0,0.305069118738174,0.310428500175476,0.0
InChI%3D1S%2FC7H5N3O2%2Fc11-10%2812%295-1-2-6-7%283-5%299-4-8-6%2Fh1-4H%2C%28H%2C8%2C9%29,0.833333313465118,8.202392578125,0.0440406240522861,1.56345641613007,0.301472395658493,0.991229474544525,1.67999994754791,15.9959211349487,0.0154465269297361,342.838745117188,71.5999984741211,10.2284488677979,0.161649778485298,3.8822340965271,2.0,0.51336658000946,0.146474212408066,6.89817905426025,0.447213590145111,11.8500003814697,0.0573895946145058,2.0,0.259203881025314,0.0598532035946846,0.0
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%29,1.39516818523407,8.25598335266113,0.0559378191828728,1.85359787940979,0.523541152477264,1.13159239292145,1.35000002384186,15.9989347457886,0.0726941972970963,326.882049560547,124.220001220703,13.9892416000366,0.577361583709717,7.44848299026489,3.0,0.549318671226501,0.209901332855225,5.89347696304321,1.33748066425323,11.8999996185303,0.0809129029512405,0.0,0.193634435534477,0.0591005310416222,1.0
InChI%3D1S%2FC6H8N2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C7-8H2,0.471404522657394,7.88406467437744,0.0553417839109898,0.996011316776276,0.16666667163372,0.51089733839035,1.89999997615814,14.0092792510986,0.00277631031349301,274.552917480469,52.0400009155273,7.42565584182739,0.0339698940515518,7.76102590560913,0.0,0.222222223877907,0.153498813509941,4.29827976226807,0.0,11.9935512542725,0.0277777779847383,0.0,0.43301597237587,0.0320750139653683,0.0
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,2.61046195030212,15.644510269165,0.0126268286257982,8.60579872131348,2.36799788475037,6.59653854370117,1.78999996185303,34.9749450683594,0.24097703397274,476.130859375,0.0,8.40603542327881,0.302197933197021,9.07792949676514,0.0,16.0753898620605,0.199757322669029,4.47979211807251,0.0,11.9985313415527,0.685173511505127,0.0,0.304992228746414,2.18948459625244,0.0
InChI%3D1S%2FC6H4O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,0.577350258827209,7.11116981506348,0.0600686706602573,0.823732376098633,0.16666667163372,0.439643979072571,1.89999997615814,15.9959173202515,3.5612811188912e-07,238.48908996582,34.1399993896484,6.28882789611816,0.250457733869553,22.5789241790771,2.0,0.123928338289261,0.286902904510498,5.65685415267944,0.0,11.8000001907349,0.0277777779847383,0.0,0.495596528053284,0.0226804614067078,0.0
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%29,1.34020686149597,9.94519424438477,,2.12089276313782,0.339345902204514,1.34816884994507,1.89999997615814,16.0016937255859,,,116.180000305176,13.8336563110352,0.514703989028931,,2.0,0.706646740436554,,10.751633644104,0.0,11.9937677383423,0.0544982254505157,0.0,,0.0521887913346291,0.0
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%2C1-4H3,1.52578341960907,9.6077947616577,0.0326766520738602,3.29178237915039,0.19245009124279,1.98856115341187,3.0,15.9949197769165,0.0490253753960133,563.65869140625,23.5499992370605,26.7821407318115,0.287030309438705,9.29835987091064,1.0,1.33704519271851,0.153807818889618,15.6241292953491,0.0,11.9933195114136,0.0555555559694767,0.0,0.0993365347385406,0.0526229776442051,2.0
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,0.0,6.81075191497803,0.0204432867467403,0.642857134342194,0.0,0.0,1.46000003814697,34.9701538085938,0.159022018313408,238.067016601562,0.0,5.21282815933228,0.0995760634541512,36.3754539489746,0.0,0.0,0.198054999113083,0.0,0.0,11.998706817627,0.0,0.0,0.287997454404831,0.0,0.0
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%29,1.42886900901794,8.50413036346436,0.0542982667684555,1.07660162448883,0.0,0.741566359996796,1.35000002384186,16.0007858276367,0.114446349442005,102.763526916504,115.139999389648,14.6928634643555,0.722767889499664,5.24546909332275,3.0,0.44395050406456,0.132578030228615,4.32674884796143,0.0,11.9963550567627,0.0,0.0,0.316655158996582,0.0,1.0
InChI%3D1S%2FC3H7N5O3%2Fc1-2-5-3%284%297%286-9%298%2810%2911%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29,0.705118358135223,,0.0322502329945564,0.77624100446701,0.0,0.390444695949554,0.910000026226044,,0.136447578668594,331.171173095703,102.690002441406,9.8664493560791,0.177179396152496,6.67761611938477,3.0,0.213745668530464,0.211747899651527,0.5,2.14913988113403,,0.0,1.0,0.180333897471428,0.0,1.0
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%2C1-2H3,1.20700895786285,11.7756671905518,0.0311028379946947,4.44310855865479,0.520005404949188,3.40493202209473,3.66000008583069,12.1502704620361,0.0164130441844463,522.068542480469,0.0,17.4913120269775,0.0029164245352149,1.03734529018402,0.0,2.85303997993469,0.0791637524962425,25.0513782501221,0.0,11.8500003814697,0.0920138880610466,0.0,0.312505096197128,0.168719559907913,0.0
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%29,1.12200844287872,10.4095087051392,0.0465514548122883,3.11246466636658,0.260491460561752,2.25085806846619,1.78999996185303,31.9720726013184,0.0954788848757744,408.668365478516,,14.0348634719849,0.160057216882706,9.82738494873047,2.0,1.20815372467041,0.173182725906372,9.28654956817627,0.16666667163372,11.9989995956421,0.152777776122093,1.0,0.147181659936905,0.131878897547722,0.0
InChI%3D1S%2FC7H8N2O2%2Fc1-5-2-3-6%289%2810%2911%294-7%285%298%2Fh2-4H%2C8H2%2C1H3,0.971404492855072,8.2379035949707,0.0353012941777706,1.47363948822021,0.175366476178169,0.74143785238266,1.78999996185303,15.9959201812744,0.0126997334882617,350.28857421875,60.1599998474121,9.34165573120117,0.0742227435112,7.69291973114014,2.0,0.487679213285446,0.176108047366142,5.85380077362061,0.0,11.8500003814697,0.0240562614053488,0.0,0.319443583488464,0.0487034358084202,0.0
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%29,2.76260161399841,11.2671213150024,0.0465337038040161,4.07824754714966,0.610585689544678,3.02610349655151,2.00999999046326,31.9728298187256,0.108830317854881,490.993316650391,,32.8249320983887,0.556128084659576,2.97943019866943,3.0,2.96248936653137,0.144197314977646,7.12982368469238,0.0,11.9989995956421,0.143923744559288,0.0,0.195875436067581,0.203078404068947,3.0
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%2C1-6H2,1.79280209541321,10.6298980712891,0.0414962396025658,8.80783653259277,0.0,2.1695032119751,1.24000000953674,78.9233703613281,0.0966688245534897,632.329345703125,54.5699996948242,38.324104309082,0.775110244750977,0.806664049625397,1.0,2.17406964302063,0.239105775952339,5.5027928352356,0.0,11.9988422393799,0.0,0.0,0.311187505722046,0.0,0.0
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%29,1.14982986450195,9.7864465713501,0.0765048414468765,2.11344957351685,0.0589255653321743,1.32482039928436,2.00999999046326,15.9979295730591,0.139267608523369,316.563415527344,106.620002746582,19.1368980407715,0.51091593503952,4.98999977111816,0.0,0.661472856998444,0.129555895924568,9.42196369171143,0.0,11.8500003814697,0.0320750139653683,0.0,0.309635758399963,0.0185185186564922,0.0
InChI%3D1S%2FC3H8N2%2Fc1-2-3-5-4%2Fh2%2C5H%2C1%2C3-4H2,0.0,6.30200624465942,0.0553818605840206,0.262188702821732,0.0,0.0833333358168602,1.57000005245209,14.1130771636963,0.0568461269140244,324.605773925781,38.0499992370605,7.42565584182739,0.0308170355856419,15.9620971679688,0.0,0.0,0.20003280043602,0.0,0.0,11.9989995956421,0.0,1.0,0.149714455008507,0.0,0.0
InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2,0.98559856414795,8.57056617736816,0.0436816476285458,2.18141603469849,0.284517794847488,1.30057799816132,2.45000004768372,34.9688529968262,0.0860472396016121,488.090209960938,35.25,12.6080703735352,0.158145248889923,4.16223049163818,0.0,0.540796756744385,0.122446238994598,12.3619976043701,0.0,11.8500003814697,0.0555555559694767,0.0,0.103821031749249,0.0702150091528893,0.0
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%29,3.05568814277649,9.57289028167725,0.0415101982653141,3.17750811576843,0.276854544878006,2.01516962051392,1.89999997615814,34.9688529968262,0.0584267415106297,524.863342285156,80.6699981689453,15.8114490509033,0.671149611473083,5.4997181892395,3.0,1.37565720081329,0.214147239923477,14.4383792877197,0.0,11.9974088668823,0.0481125228106976,0.0,0.161387354135513,0.0817336365580559,0.0
InChI%3D1S%2FC2Cl2%2Fc3-1-2-4,0.0,6.08241701126099,0.0246595609933138,0.321428567171097,0.0,0.0,1.46000003814697,34.9701538085938,2.11574716080243e-11,285.765869140625,0.0,0.839999973773956,0.0173531658947468,42.0889625549316,0.0,0.0,0.5,0.0,0.0,11.998706817627,0.0,0.0,9.49126821581103e-09,0.0,0.0
InChI%3D1S%2FC5H10Br2O2%2Fc6-1-5%282-7%2C3-8%294-9%2Fh8-9H%2C1-4H2,0.70710676908493,11.2255029678345,0.041961282491684,3.6167619228363,0.0,1.89259576797485,1.57000005245209,78.91943359375,0.253747582435608,292.389099121094,40.4599990844727,13.5120697021484,0.238225370645523,11.5848588943481,0.0,3.27932834625244,0.195151627063751,0.0,0.0,11.9988565444946,0.0,0.0,0.357098281383514,0.0,0.0
InChI%3D1S%2FC4H9NO2%2Fc1-4%282%293-7-5-6%2Fh4H%2C3H2%2C1-2H3,0.40824830532074,6.83800363540649,0.0258414056152105,0.460573554039001,0.0,0.179500222206116,1.57000005245209,16.0168704986572,0.107092209160328,290.263031005859,38.6599998474121,11.3928632736206,0.0988028720021248,8.60735321044922,1.0,0.0745356008410454,0.215010657906532,1.0,0.0,11.9989995956421,0.0,0.0,0.28189492225647,0.0,0.0
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh1%2C3H2%2C2H3,0.40824830532074,7.40600967407227,0.0333329476416111,0.684365212917328,0.0,0.0,1.78999996185303,34.9693794250488,0.101001799106598,351.855682373047,0.0,8.07244873046875,0.0495115518569946,32.0524597167969,0.0,0.0,0.188508883118629,1.0,0.0,11.9985990524292,0.0,0.0,0.423931241035461,0.0,0.0
InChI%3D1S%2FC2H5BrO%2Fc3-1-2-4%2Fh4H%2C1-2H2,0.0,7.22680854797363,0.0502863675355911,0.439155042171478,0.0,0.0,1.46000003814697,78.9185180664062,0.180242598056793,216.361709594727,20.2299995422363,6.75603485107422,0.126469030976295,27.2592105865479,0.0,0.0,0.392007440328598,0.0,0.0,11.9989070892334,0.0,0.0,0.325448870658875,0.0,0.0
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%29,3.01980042457581,15.1798362731934,0.0300169140100479,7.72673320770264,2.0444324016571,5.53736019134521,1.35000002384186,34.9739608764648,0.194071114063263,283.751647949219,74.5999984741211,8.80882835388184,0.657990097999573,5.1333270072937,2.0,14.6585521697998,0.13060587644577,0.0,0.0,11.9985370635986,0.54183828830719,0.0,0.334731340408325,1.89923989772797,0.0
InChI%3D1S%2FC12H12N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10%2C13-14H,0.40824830532074,8.66844177246094,0.0423827916383743,1.89875328540802,0.144337564706802,1.18730998039246,2.55999994277954,14.0040864944458,0.145370215177536,407.829071044922,24.0599994659424,13.118483543396,0.0307658463716507,3.0726215839386,0.0,0.304558366537094,0.15037402510643,7.16293048858643,0.0,11.8500003814697,0.0641500279307365,2.0,0.200350567698479,0.0320750139653683,0.0
InChI%3D1S%2FC12H9NO%2Fc13-8-5-6-12-10%287-8%299-3-1-2-4-11%289%2914-12%2Fh1-7H%2C13H2,0.894173979759216,9.73057842254639,0.0489449575543404,2.40076661109924,0.648104131221771,1.74369370937347,2.55999994277954,15.9949178695679,0.000581189058721066,365.395935058594,39.1599998474121,11.0948629379272,0.132152855396271,7.55040788650513,0.0,1.04772436618805,0.135117962956429,14.3335838317871,0.0,11.8500003814697,0.110759600996971,0.0,0.222282215952873,0.144879311323166,0.0
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%29,1.25867366790771,9.061354637146,0.0640406161546707,2.09698867797852,0.0,0.978321194648743,1.24000000953674,16.0016536712646,0.153756573796272,285.045196533203,163.25,20.2941055297852,0.748675048351288,5.22699594497681,2.0,0.80254328250885,0.0891048386693001,3.96671056747437,1.41421353816986,11.9962921142578,0.0,0.0,0.213225990533829,0.0,1.0
InChI%3D1S%2FC7H3Cl5O%2Fc1-13-7-5%2811%293%289%292%288%294%2810%296%287%2912%2Fh1H3,1.09833323955536,11.2708101272583,0.0230124220252037,3.61572241783142,0.211374327540398,2.03931617736816,1.57000005245209,34.9729766845703,0.028868492692709,415.9228515625,9.22999954223633,7.29562091827393,0.315867394208908,5.12202215194702,0.0,3.11297369003296,0.135009005665779,0.0,0.0,11.9985513687134,0.015625,0.0,0.311997026205063,0.0949643030762672,0.0
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,1.15470051765442,11.3837738037109,0.0107759730890393,4.0044116973877,0.222222223877907,2.00220584869385,1.46000003814697,34.9739570617676,1.20191745445197e-09,369.117736816406,0.0,2.51999998092651,0.189304560422897,9.38847541809082,0.0,3.65978360176086,0.16666667163372,0.0,0.0,11.9985628128052,0.015625,0.0,0.499994963407516,0.106302507221699,0.0
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%29,1.16873979568481,10.0594606399536,0.0449998788535595,3.81906700134277,0.238366767764091,2.58819675445557,2.45000004768372,16.0061473846436,0.109906211495399,513.343688964844,98.0899963378906,29.9773826599121,0.378305703401566,3.54754281044006,1.0,1.31477117538452,0.102789171040058,13.511736869812,0.0,11.9884653091431,0.0463488511741161,4.0,0.186209559440613,0.0610123760998249,0.0
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%29,1.11237239837646,7.75269746780396,0.0511392243206501,1.15478324890137,0.243120849132538,0.666757762432098,1.24000000953674,16.0169982910156,,411.273712158203,127.430000305176,10.3912420272827,0.42872342467308,4.73219537734985,2.0,0.263820767402649,0.168795615434647,4.14186000823975,0.365148365497589,11.9989995956421,0.0348563715815544,1.0,,0.0299908090382814,0.0
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%29,1.06423509120941,9.97917556762695,0.0533075332641602,2.90826559066772,0.597037613391876,1.91006326675415,2.45000004768372,14.0061006546021,0.0399461500346661,431.1318359375,,17.078483581543,0.212785378098488,7.90067481994629,0.0,1.24023616313934,0.146045953035355,11.1945810317993,0.81649661064148,11.8500003814697,0.121272623538971,1.0,0.159985065460205,0.122438780963421,1.0
InChI%3D1S%2FC6H12N2%2Fc1-3-5-8%287%296-4-2%2Fh3-4H%2C1-2%2C5-7H2,0.288675129413605,7.91100692749023,0.0464643388986588,0.727216303348541,0.0,0.40618097782135,1.89999997615814,14.0040798187256,0.0856102555990219,348.380676269531,29.2600002288818,13.118483543396,0.0608960129320621,10.4490261077881,0.0,0.148442402482033,0.159336507320404,0.0,0.0,11.789999961853,0.0,0.0,0.206919342279434,0.0,1.0
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%2C15H2,1.21790635585785,10.0913963317871,0.0455745160579681,2.94919228553772,0.421664476394653,2.11701822280884,2.67000007629395,15.9959230422974,0.0124469650909305,347.650970458984,60.1599998474121,11.0948629379272,0.264831691980362,5.16758584976196,2.0,1.49037802219391,0.158551320433617,17.832727432251,0.0,11.8500003814697,0.0674590393900871,0.0,0.208202764391899,0.114565081894398,0.0
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%29,2.26496386528015,11.4853992462158,0.040933009237051,3.15368890762329,0.309195280075073,2.12812280654907,2.00999999046326,31.9720726013184,0.0856978446245193,390.153564453125,106.349998474121,24.4208984375,0.347420930862427,4.16003513336182,2.0,1.48014712333679,0.160878926515579,7.8993673324585,0.0,11.8500003814697,0.0422115363180637,1.0,0.213030144572258,0.0762082859873772,0.0
InChI%3D1S%2FC4H6O2%2Fc1-3-6-4%282%295%2Fh3H%2C1H2%2C2H3,0.40824830532074,5.5402684211731,0.0399412661790848,0.249296993017197,0.0,0.117354027926922,1.67999994754791,16.0060234069824,0.0236783586442471,243.75846862793,26.2999992370605,9.43324184417725,0.249892115592957,8.4144058227539,1.0,0.0340206921100616,0.418607264757156,0.5,0.0,11.988787651062,0.0,0.0,0.153812497854233,0.0,0.0
InChI%3D1S%2FC12H12N2%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C13-14H2,0.910683631896973,9.60494995117188,0.0547609366476536,2.15470051765442,0.262891709804535,1.35113930702209,2.55999994277954,14.0040864944458,0.0253652185201645,390.069000244141,52.0400009155273,11.7984838485718,0.0307658463716507,6.49099445343018,0.0,0.66037505865097,0.120897382497787,14.0599384307861,0.0,11.8500003814697,0.0555555559694767,0.0,0.132126063108444,0.0598527938127518,0.0
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,0.333333343267441,8.19418430328369,0.0371119193732738,1.6015739440918,0.294627815485001,1.12212014198303,2.23000001907349,15.9949169158936,0.0307676568627357,309.133148193359,13.1400003433228,10.6616563796997,0.145050957798958,13.920069694519,,0.517322719097137,0.138233885169029,6.6689920425415,0.0,11.8500003814697,0.0867033451795578,0.0,0.294996231794357,0.0820131227374077,
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%29,0.894173979759216,10.1208868026733,0.0574349947273731,3.10871005058289,0.648104131221771,2.41802954673767,2.33999991416931,14.0085563659668,0.0652584582567215,379.699920654297,48.7700004577637,15.5316905975342,0.129421651363373,9.2192611694336,0.0,1.59889698028564,0.169619515538216,11.6125192642212,0.0,11.994402885437,0.167853087186813,2.0,0.236691623926163,0.238151401281357,0.0
InChI%3D1S%2FC2H6O3S%2Fc1-5-6%282%2C3%294%2Fh1-2H3,1.56066012382507,7.58499145507812,0.0332950167357922,0.643032848834991,0.0,0.0,1.24000000953674,31.9748306274414,0.109119832515717,294.122192382812,51.75,14.9512424468994,0.289228469133377,9.5033140182495,2.0,0.0589993596076965,0.393882721662521,0.0,0.0,11.9989995956421,0.0,0.0,0.153608649969101,0.0,0.0
InChI%3D1S%2FC6H10O2%2Fc1-2-3-7-4-6-5-8-6%2Fh2%2C6H%2C1%2C3-5H2,0.20412415266037,6.24827432632446,0.0461596734821796,0.775148153305054,0.0721687823534012,0.379045605659485,1.89999997615814,15.997784614563,0.0661185309290886,323.342041015625,21.7600002288818,14.7640695571899,0.36095342040062,4.46714019775391,0.0,0.0340206921100616,0.115014210343361,2.14913988113403,0.0,11.9968357086182,0.0340206921100616,0.0,0.0958253666758537,0.0196418557316065,0.0
InChI%3D1S%2FC5H12N2O%2Fc1-2-3-4-7%286%295-8%2Fh5H%2C2-4%2C6H2%2C1H3,0.288675129413605,7.1509051322937,0.0548552647233009,0.905259847640991,0.0,0.3933926820755,1.67999994754791,16.0059261322021,0.108935222029686,269.682006835938,46.3300018310547,14.0764837265015,0.191603481769562,13.1484098434448,1.0,0.0831336602568626,0.227410063147545,0.0,0.0,11.9887399673462,0.0,0.0,0.160469636321068,0.0,1.0
InChI%3D1S%2FC5H9NO%2Fc1-6-4-2-3-5%286%297%2Fh2-4H2%2C1H3,0.471404522657394,7.24850797653198,0.0316160097718239,1.30992031097412,0.117851130664349,0.783014297485352,1.78999996185303,16.0059242248535,0.0842725411057472,227.745269775391,20.3099994659424,12.7768630981445,0.196090131998062,21.6192951202393,1.0,0.425282508134842,0.358125895261765,1.88988161087036,0.0,11.9887399673462,0.111331805586815,0.0,0.304275184869766,0.0322748608887196,1.0