SMILES,WD.unity,WK.unity,BCUTp-1h,BCUTw-1h,Wnu2.unity,BCUTc-1h,Wlambda3.unity,Weta1.unity,WV.unity,WT.unity,Weta2.unity,Wnu1.unity,BCUTp-1l,BCUTw-1l,Weta3.unity,Wlambda2.unity,BCUTc-1l,WA.unity,Wlambda1.unity
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,1.61024582386017,0.244713023304939,8.88276863098145,12.1501121520996,0.340382635593414,0.115228086709976,4.5118088722229,0.53068733215332,17.3445720672607,6.84003973007202,0.537095904350281,2.32200081384804e-09,6.89796876907349,11.8500003814697,0.542462527751923,2.32823085784912,-0.18704180419445,10.5045328140259,1.58825770313342e-08
InChI%3D1S%2FC9H7N3O4S%2Fc1-5%2813%2910-9-11-6%284-17-9%297-2-3-8%2816-7%2912%2814%2915%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C13%29,,,10.2141027450562,31.9720726013184,,0.277924805879593,,,,,,,3.43381643295288,11.9962682723999,,,-0.372287660837173,,
InChI%3D1S%2FC11H13N5O4%2Fc1-15%282%297-12-11-14-13-9%2820-11%295-3-8-4-6-10%2819-8%2916%2817%2918%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C12%2C14%29,1.53909051418304,0.365126729011536,8.48214435577393,15.9989767074585,0.107100948691368,0.278212875127792,15.9782361984253,0.499695420265198,125.653732299805,19.4816398620605,0.465257108211517,0.0727300718426704,3.38429713249207,11.9967241287231,0.574137985706329,2.08650207519531,-0.330421835184097,58.9345703125,1.41690099239349
InChI%3D1S%2FC12H5Cl5%2Fc13-8-3-1-2-6%2810%288%2915%297-4-5-9%2814%2912%2817%2911%287%2916%2Fh1-5H,1.57729089260101,0.305600583553314,11.8445825576782,34.9729766845703,0.144476056098938,0.142961367964745,7.60323572158813,0.525454759597778,45.5115661621094,10.2635364532471,0.524480938911438,0.114723145961761,6.86269426345825,11.9985237121582,0.527355194091797,1.48283529281616,-0.172561705112457,21.97287940979,1.17746520042419
InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2,1.51759850978851,0.260070472955704,5.44575548171997,15.9977836608887,0.195940524339676,0.10469364374876,2.25872492790222,0.435208112001419,6.59411954879761,3.32119536399841,0.526199638843536,0.12396551668644,3.65949654579163,11.9970207214355,0.556190729141235,0.650756776332855,-0.393309623003006,2.66775417327881,0.411713689565659
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%29,1.29716658592224,0.20197357237339,11.9949417114258,15.9969263076782,0.260941922664642,0.371319651603699,5.33562183380127,0.293889671564102,45.3065986633301,8.85387229919434,0.528574407100677,0.136426642537117,4.33389711380005,11.8500003814697,0.474702447652817,2.31034660339355,-0.34783923625946,21.5627307891846,1.2079039812088
InChI%3D1S%2FC9H8N4O5%2Fc1-5%2814%2910-4-7-11-9%2812-18-7%296-2-3-8%2817-6%2913%2815%2916%2Fh2-3H%2C4H2%2C1H3%2C%28H%2C10%2C14%29,,,7.93456888198853,16.0000019073486,,0.277987837791443,,,,,,,3.36992383003235,11.9962682723999,,,-0.372495919466019,,
InChI%3D1S%2FC8H12N2O3%2Fc1-3-8%284-2%295%2811%299-7%2813%2910-6%288%2912%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29,1.39059841632843,0.110682956874371,10.7250032424927,15.9987058639526,0.334247797727585,0.371286273002625,3.19705033302307,0.503481864929199,29.1404323577881,6.64791011810303,0.517156362533569,0.184841588139534,4.25452661514282,11.9962921142578,0.369960218667984,2.22204923629761,-0.369977802038193,13.7630491256714,1.22881031036377
InChI%3D1S%2FC4H9N3O%2Fc8-6-7-3-1-5-2-4-7%2Fh5H%2C1-4H2,1.37735235691071,0.0898721143603325,7.02389001846313,15.9949169158936,0.390721589326859,0.124045446515083,1.98837947845459,0.364160150289536,12.6681566238403,4.38778162002563,0.50917375087738,0.156115591526031,3.20346641540527,11.8999996185303,0.504018485546112,1.71440100669861,-0.313761293888092,5.94528818130493,0.685001134872437
InChI%3D1S%2FC6H7ClN2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H%2C8-9H2,1.48211443424225,0.18161952495575,8.60813617706299,34.9688529968262,0.421891778707504,0.0744823962450027,3.34071946144104,0.387011885643005,14.1987581253052,5.80497264862061,0.576745331287384,0.00261551863513887,5.80192375183105,11.9935512542725,0.518357217311859,2.44907021522522,-0.334154278039932,8.26956272125244,0.0151830138638616
InChI%3D1S%2FC9H12N2O%2Fc1-11%2810-12%298-7-9-5-3-2-4-6-9%2Fh2-6H%2C7-8H2%2C1H3,1.37622225284576,0.325671792030334,8.66844463348389,16.0168170928955,0.188793122768402,0.173580422997475,7.21056032180786,0.326780170202255,31.1090145111084,9.39410305023193,0.487837731838226,0.0436445027589798,3.18645310401917,11.9989995956421,0.561604380607605,1.77354204654694,-0.275300800800323,16.4717235565186,0.410000950098038
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%2C3-4H2,1.5530321598053,0.260359913110733,14.4949722290039,34.9720077514648,0.195461466908455,0.269728600978851,6.75919723510742,0.531191825866699,49.9489593505859,9.93298625946045,0.525245785713196,0.124058648943901,6.02031230926514,11.9985313415527,0.49659463763237,1.94151604175568,-0.279619425535202,23.8447437286377,1.23227286338806
InChI%3D1S%2FC14H12N4O2%2Fc15-5-1-2-6%2816%2910-9%285%2913%2819%2911-7%2817%293-4-8%2818%2912%2811%2914%2810%2920%2Fh1-4H%2C15-18H2,1.60219597816467,0.213705003261566,10.8376989364624,15.9959259033203,0.373372048139572,0.248650923371315,7.81368017196655,0.45110097527504,54.7239875793457,12.6379060745239,0.56738418340683,0.0083546070381999,5.89768743515015,11.8999996185303,0.583710849285126,4.71864128112793,-0.302824527025223,38.1931762695312,0.105584740638733
InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3,1.57949662208557,0.20744800567627,11.7190961837769,126.904472351074,0.277482330799103,0.170067086815834,3.68746852874756,0.489134341478348,20.0941963195801,6.04571723937988,0.605734884738922,0.112586975097656,4.20426750183105,11.9963550567627,0.484627455472946,1.67757987976074,-0.417714297771454,9.83784484863281,0.680669069290161
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%2C1H3,1.43365144729614,0.343681752681732,10.1284475326538,15.9959230422974,0.159499153494835,0.227203205227852,11.1317262649536,0.322189480066299,65.4120788574219,14.062744140625,0.543810784816742,0.0489251725375652,4.40842008590698,11.8500003814697,0.567651212215424,2.24299573898315,-0.301107108592987,34.1705169677734,0.688022136688232
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%2C1-4H3,1.17688846588135,0.179660111665726,9.83025169372559,15.9979391098022,0.32638019323349,0.295188248157501,12.8668222427368,0.353959560394287,375.886016845703,22.4598846435547,0.334368109703064,0.100739665329456,5.07698106765747,11.8900003433228,0.488560795783997,7.3304615020752,-0.312484472990036,140.018142700195,2.26260137557983
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%29,1.42205846309662,0.30289900302887,10.5310735702515,31.9720726013184,0.166545927524567,0.119251184165478,8.5275707244873,0.478933691978455,57.9283027648926,11.5675344467163,0.432984530925751,0.0962553918361664,5.46138477325439,11.8500003814697,0.510140240192413,1.92652559280396,-0.302564024925232,28.068567276001,1.1134375333786
InChI%3D1S%2FC17H19N3O3S%2Fc1-10-8-18-15%2811%282%2916%2810%2923-4%299-24%2821%2917-19-13-6-5-12%2822-3%297-14%2813%2920-17%2Fh5-8H%2C9H2%2C1-4H3%2C%28H%2C19%2C20%29,1.5475732088089,0.299896121025085,11.8265419006348,31.9720726013184,0.183988943696022,0.144396513700485,15.5227088928223,0.381901800632477,221.698822021484,21.171329498291,0.541666388511658,0.0828162282705307,4.86896228790283,11.8900003433228,0.624005019664764,3.89529037475586,-0.349710166454315,94.5116119384766,1.75332951545715
InChI%3D1S%2FCH2ClF%2Fc2-1-3%2Fh1H2,1.2022453546524,0.124052986502647,4.49873495101929,34.9693794250488,0.279498517513275,0.222844421863556,0.735847353935242,0.400000005960464,2.25384855270386,1.47542071342468,0.466621845960617,0.221764177083969,2.91849851608276,11.999472618103,0.335623502731323,0.412377893924713,-0.225774377584457,0.679141283035278,0.327195465564728
InChI%3D1S%2FC20H24O2%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%2C5%2C7%2C12%2C16-18%2C21-22H%2C4%2C6%2C8-11H2%2C2H3,1.30618345737457,0.284431755542755,12.0185880661011,15.995924949646,0.187121748924255,0.131191223859787,9.49004173278809,0.329055160284042,84.5659866333008,13.317943572998,0.532485127449036,0.100302591919899,5.04074144363403,11.8900003433228,0.444643139839172,2.4920768737793,-0.376630336046219,39.6559181213379,1.33582425117493
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,1.88407158851624,0.0725689083337784,12.6744661331177,34.9739570617676,0.284954994916916,0.357137441635132,1.53310132026672,0.500005602836609,9.29256248474121,3.56459021568298,0.500006318092346,0.284953147172928,8.03598403930664,11.998706817627,0.88405966758728,1.01574778556824,-0.136371359229088,4.14621496200562,1.01574110984802
InChI%3D1S%2FC5H10N2O3%2Fc1-7%286-10%294-2-3-5%288%299%2Fh2-4H2%2C1H3%2C%28H%2C8%2C9%29,1.46586549282074,0.209816724061966,7.06697511672974,16.0169315338135,0.271418243646622,0.25894421339035,3.78190398216248,0.421138942241669,20.8987426757812,6.16860580444336,0.541620194911957,0.115492813289165,3.1184720993042,11.9989995956421,0.503106296062469,1.67427206039429,-0.331559538841248,10.2190780639648,0.712429642677307
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H,1.29335200786591,0.168263018131256,6.95473098754883,15.9982585906982,0.442315936088562,0.126760989427567,2.79102730751038,0.144703090190887,11.1830272674561,5.00467491149902,0.58466374874115,2.2290027601457e-08,4.70625352859497,11.9963550567627,0.563985228538513,2.21364760398865,-0.382762879133224,6.17835140228271,1.11554349757625e-07
InChI%3D1S%2FC20H31NO6%2Fc1-6-13%284%2918%2823%2927-16-8-10-21-9-7-15%2817%2816%2921%2911-26-19%2824%2920%2825%2C12%282%293%2914%285%2922%2Fh6-7%2C12%2C14%2C16-17%2C22%2C25H%2C8-11H2%2C1-5H3,1.52510547637939,0.215570345520973,10.6537790298462,16.0008068084717,0.259855657815933,0.29699581861496,10.7339315414429,0.455782651901245,196.521560668945,17.2915840148926,0.511287450790405,0.119383871555328,4.9495849609375,11.996150970459,0.558035373687744,4.49331569671631,-0.413351386785507,79.6651000976562,2.06433606147766
InChI%3D1S%2FC17H15NO2%2Fc1-11%2819%2918%2812%282%2920%2917-9-5-8-15-14-7-4-3-6-13%2814%2910-16%2815%2917%2Fh3-9H%2C10H2%2C1-2H3,1.1179358959198,0.250324934720993,10.9869832992554,15.9959239959717,0.22636316716671,0.211797565221786,8.83346271514893,0.244672551751137,93.7613677978516,13.2415885925293,0.377106219530106,0.106536909937859,4.90061712265015,11.8999996185303,0.496157169342041,2.99740791320801,-0.280809313058853,43.1675109863281,1.41071796417236
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,1.11081123352051,0.298431128263474,9.63482570648193,15.9949178695679,0.15756644308567,0.0926062166690826,6.95382070541382,0.277028769254684,39.8840713500977,9.50960922241211,0.286316454410553,0.111192032694817,5.38322877883911,11.8500003814697,0.547465980052948,1.49839532375336,-0.359803706407547,19.3568840026855,1.05739271640778
InChI%3D1S%2FC6H6ClN%2Fc7-4-6-2-1-3-8-5-6%2Fh1-3%2C5H%2C4H2,1.15701794624329,0.254271924495697,8.31212997436523,34.9693794250488,0.283424496650696,0.117882013320923,3.49280595779419,0.130847111344337,12.6589574813843,5.19482517242432,0.472245514392853,0.0442129448056221,5.51820087432861,11.9985628128052,0.553925335407257,1.47234070301056,-0.263703584671021,6.28298807144165,0.229678511619568
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InChI%3D1S%2FC37H37N2O9S3%2Fc1-3-38%2825-27-7-5-9-35%2823-27%2950%2843%2C44%2945%2932-17-11-29%2812-18-32%2937%2831-15-21-34%2822-16-31%2949%2840%2C41%2942%2930-13-19-33%2820-14-30%2939%284-2%2926-28-8-6-10-36%2824-28%2951%2846%2C47%2948%2Fh5-24H%2C3-4%2C25-26H2%2C1-2H3%2C%28H%2C40%2C41%2C42%29%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29,1.18192458152771,0.25998067855835,13.0747861862183,31.97438621521,0.254415839910507,0.315474957227707,30.3935718536377,0.393210023641586,1526.43151855469,44.6981239318848,0.311045408248901,0.0656099244952202,6.05255746841431,11.9989995956421,0.477669149637222,11.3719100952148,-0.302091628313065,468.116119384766,2.93264031410217
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InChI%3D1S%2FC7H5NS2%2Fc9-7-8-5-3-1-2-4-6%285%2910-7%2Fh1-4H%2C%28H%2C8%2C9%29,1.19892501831055,0.27400153875351,11.6328220367432,31.9733581542969,0.242470726370811,0.147934168577194,4.89886426925659,0.180261388421059,21.5013160705566,7.01171255111694,0.444387316703796,0.0588605664670467,7.1883978843689,11.9985752105713,0.574276268482208,1.70013499259949,-0.266621947288513,11.052225112915,0.412713348865509
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InChI%3D1S%2FC13H14N2%2Fc14-12-5-1-10%282-6-12%299-11-3-7-13%2815%298-4-11%2Fh1-8H%2C9%2C14-15H2,1.43611824512482,0.320709735155106,9.25030708312988,14.0040874481201,0.143214747309685,0.0998508855700493,9.76735210418701,0.396469533443451,67.1555633544922,12.8357973098755,0.503437697887421,0.0958389565348625,5.58554124832153,11.8500003814697,0.536211013793945,1.83827543258667,-0.303443014621735,32.2319717407227,1.23016929626465
InChI%3D1S%2FC6H12N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3%2C6%2C9H%2C1%2C4-5H2%2C2H3,1.677659034729,0.143969774246216,7.72725963592529,16.0168724060059,0.296747177839279,0.174011617898941,3.15934228897095,0.566912889480591,22.9801998138428,6.01443815231323,0.556229293346405,0.177959799766541,3.35624957084656,11.9989995956421,0.554516911506653,1.78476750850677,-0.391404420137405,10.9305114746094,1.07032823562622
InChI%3D1S%2FC21H32O3%2Fc1-19-11-13%2812-22%2918%2823%2910-14%2819%294-5-15-16%2819%296-8-20%282%2917%2815%297-9-21%2820%2C3%2924%2Fh12%2C14-17%2C22%2C24H%2C4-11H2%2C1-3H3,1.4780296087265,0.279510080814362,12.7642297744751,15.9969301223755,0.19471600651741,0.160987168550491,9.85533332824707,0.490912348031998,95.2901153564453,13.9591302871704,0.524774372577667,0.0992705672979355,4.88134479522705,11.8900003433228,0.462342947721481,2.71806621551514,-0.389397293329239,44.2107963562012,1.3857307434082
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%29,1.43932592868805,0.195618584752083,11.4962892532349,34.9688529968262,0.293475389480591,0.269032299518585,8.98309135437012,0.412391304969788,145.491195678711,15.1190242767334,0.395682394504547,0.112366490066051,4.30402994155884,11.8900003433228,0.63125216960907,4.43706178665161,-0.330977261066437,62.6576461791992,1.69887173175812
InChI%3D1S%2FC12H12N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10%2C13-14H,1.64465665817261,0.240741416811943,8.66844177246094,14.0040864944458,0.200304672122002,0.0988121852278709,6.55935382843018,0.488320380449295,54.8755760192871,10.0246591567993,0.535716533660889,0.145373433828354,6.54538106918335,11.8500003814697,0.620619714260101,2.00798606872559,-0.222967281937599,25.6564388275146,1.45731902122498
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%2C1H3,1.30317080020905,0.194166824221611,10.4951543807983,14.0040884017944,0.371186882257462,0.148732721805573,6.72677373886108,0.294908046722412,56.0548629760742,11.3585252761841,0.53151673078537,0.0365907028317451,5.90457057952881,11.8500003814697,0.476746052503586,4.21613550186157,-0.302486836910248,32.9090423583984,0.415616452693939
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,2.15422320365906,0.126011848449707,5.7985143661499,15.9974174499512,0.352966368198395,0.0694901272654533,1.6608407497406,0.615275859832764,7.55784368515015,3.3127429485321,0.810679018497467,0.145684495568275,4.99268484115601,11.9969358444214,0.728268444538116,1.16928684711456,-0.402844548225403,3.30786228179932,0.482615292072296
InChI%3D1S%2FC3H7NO%2Fc1-3%282%294-5%2Fh5H%2C1-2H3,1.42097461223602,0.174874275922775,6.18975353240967,16.0009727478027,0.368047207593918,0.0393531024456024,2.26489877700806,0.33333221077919,9.18071174621582,3.9980628490448,0.594306170940399,0.0654537454247475,3.64514303207397,11.9989995956421,0.493336230516434,1.47147583961487,-0.331930011510849,4.3105092048645,0.261688202619553
InChI%3D1S%2FCH4N2O2%2Fc2-1-3%284%295%2Fh1-2H2,1.37393057346344,0.19179630279541,,,0.288184821605682,,1.54862201213837,0.441583842039108,4.92513608932495,2.62896394729614,0.440670400857925,0.122753441333771,,,0.491676360368729,0.757627487182617,,1.91753840446472,0.322714358568192
InChI%3D1S%2FC9H19N3O2%2Fc1-3-5-7-10-9%2813%2912%2811-14%298-6-4-2%2Fh3-8H2%2C1-2H3%2C%28H%2C10%2C13%29,1.39723062515259,0.203526794910431,8.13677787780762,16.0168743133545,0.32737809419632,0.236313298344612,7.29939842224121,0.417077273130417,73.7907409667969,12.0710592269897,0.432766169309616,0.0679195076227188,3.45978689193726,11.9989995956421,0.547387182712555,3.95180034637451,-0.334361284971237,38.0701789855957,0.819860398769379
InChI%3D1S%2FC6H6N2O3%2Fc7-5-3-4%288%2810%2911%291-2-6%285%299%2Fh1-3%2C9H%2C7H2,1.18201816082001,0.228283047676086,7.84440183639526,15.996922492981,0.353411287069321,0.256013810634613,4.15947151184082,0.108197718858719,17.0401725769043,6.52250480651855,0.542200088500977,0.00887798331677914,3.57342195510864,11.8500003814697,0.53162032365799,2.30512666702271,-0.383991569280624,9.96245193481445,0.0579066872596741
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%2C1H3,1.40797054767609,0.309444010257721,10.7168750762939,15.9979314804077,0.225655764341354,0.228846684098244,9.52514934539795,0.346936047077179,54.6793327331543,12.7695741653442,0.507134318351746,0.0284188743680716,4.09287118911743,11.8500003814697,0.553900241851807,2.88152813911438,-0.298709064722061,31.9493312835693,0.362896949052811
InChI%3D1S%2FC12H12N2O2S%2Fc13-9-1-5-11%286-2-9%2917%2815%2C16%2912-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,1.47400963306427,0.288603991270065,11.7693071365356,31.9720726013184,0.1438018232584,0.206726923584938,9.45933532714844,0.378677517175674,84.3194732666016,13.1720180511475,0.523579299449921,0.138059541583061,5.74297857284546,11.8500003814697,0.571752727031708,1.89416015148163,-0.30344232916832,38.5640830993652,1.81852269172668
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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%29,1.32851231098175,0.246977910399437,10.7663288116455,14.0050926208496,0.250173687934875,0.0990799516439438,5.94386100769043,0.329522043466568,39.1438293457031,8.97000789642334,0.55866950750351,0.0871891006827354,5.6653847694397,11.8999996185303,0.440320730209351,2.24406003952026,-0.293199598789215,19.7420482635498,0.782086968421936
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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%2C21-22H2,1.22365581989288,0.116318225860596,12.5848503112793,14.0051031112671,0.435059100389481,0.102252848446369,7.91932201385498,0.354755908250809,159.960388183594,16.2140216827393,0.400640606880188,0.0765166059136391,5.68897008895874,11.8500003814697,0.468259274959564,7.05405712127686,-0.303442746400833,74.4399490356445,1.24064183235168
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InChI%3D1S%2FC13H11NO2%2Fc1-15-13-6-9-8-4-2-3-5-11%288%2916-12%289%297-10%2813%2914%2Fh2-7H%2C14H2%2C1H3,1.36363542079926,0.327035307884216,9.85238933563232,15.995922088623,0.217807441949844,0.135807350277901,9.74422931671143,0.207979619503021,45.9353446960449,12.6650352478027,0.563284754753113,0.0128121534362435,4.99670886993408,11.8500003814697,0.592371106147766,2.75853896141052,-0.347107261419296,28.9086151123047,0.162266373634338
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InChI%3D1S%2FC2H3Cl2F%2Fc1-2%283%2C4%295%2Fh1H3,1.67167150974274,0.129129648208618,7.69613599777222,34.9701538085938,0.272892475128174,0.332567781209946,1.31609892845154,0.396727293729782,5.24730062484741,2.60352683067322,0.416883826255798,0.221601322293282,4.52524709701538,11.998706817627,0.858060419559479,0.710482895374298,-0.193294256925583,2.10429215431213,0.576945006847382
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InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,1.49600601196289,0.240588054060936,7.92974948883057,34.9693794250488,0.345880210399628,0.114273779094219,2.47839403152466,0.439483106136322,7.03693723678589,3.78891324996948,0.491840690374374,2.37700032812427e-06,5.42349481582642,11.9985990524292,0.564682185649872,1.31051015853882,-0.180390506982803,3.24799466133118,9.00624763744418e-06
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,,,9.9207592010498,31.9720726013184,,0.277895539999008,,,,,,,3.41176962852478,11.9989995956421,,,-0.333191871643066,,
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InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,1.81988334655762,0.164730563759804,6.81075191497803,34.9701538085938,0.287999719381332,0.110870480537415,1.37452507019043,0.5,4.68497085571289,2.48569512367249,0.80521833896637,0.159026205539703,5.09803342819214,11.998706817627,0.514665007591248,0.715879559516907,-0.214484810829163,1.81031179428101,0.395290672779083
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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%29,1.12224066257477,0.301691204309464,10.1422071456909,14.0060968399048,0.253870844841003,0.158499091863632,7.72295665740967,0.0795911103487015,34.5115127563477,10.4990205764771,0.507852375507355,0.0105408858507872,5.75915718078613,11.8500003814697,0.534797132015228,2.66539549827576,-0.278246968984604,21.7344017028809,0.110668979585171
InChI%3D1S%2FC17H23N3O%2Fc1-19%282%2912-13-20%2817-6-4-5-11-18-17%2914-15-7-9-16%2821-3%2910-8-15%2Fh4-11H%2C12-14H2%2C1-3H3,1.25558507442474,0.213231578469276,10.583517074585,15.9949207305908,0.333610206842422,0.109253264963627,10.5213947296143,0.393359214067459,139.936096191406,17.0347747802734,0.443934947252274,0.0487476699054241,4.75959014892578,11.9883184432983,0.418290972709656,5.68297529220581,-0.348741561174393,73.2490234375,0.830405592918396
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InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2,1.55180394649506,0.258848935365677,8.9259614944458,78.91943359375,0.184145212173462,0.11297070235014,4.90385103225708,0.578456282615662,26.4275798797607,7.22785902023315,0.450611412525177,0.137389555573463,5.58353137969971,11.9988508224487,0.522736251354218,1.33097565174103,-0.389359951019287,12.7182912826538,0.993032336235046
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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%2918,1.16488647460938,0.0732688307762146,17.4356994628906,34.9799118041992,0.311087638139725,0.228884190320969,2.96153807640076,0.353638529777527,33.4526596069336,6.87091779708862,0.401100993156433,0.257887244224548,9.8203125,11.9985313415527,0.410146981477737,2.13745760917664,-0.189675450325012,15.3651857376099,1.77192211151123
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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%29,1.25601196289062,0.28562319278717,11.1920433044434,16.0093593597412,0.179865255951881,0.283436745405197,21.2261848449707,0.448660761117935,584.284729003906,29.7217121124268,0.359636962413788,0.105970494449139,3.94511389732361,11.9961042404175,0.447714298963547,5.34590339660645,-0.39342188835144,197.165237426758,3.14962458610535
InChI%3D1S%2FC6H12N2O3%2Fc1-2-3-8%287-11%294-6%2810%295-9%2Fh2%2C6%2C9-10H%2C1%2C3-5H2,1.29050755500793,0.315712660551071,7.78607320785522,16.0169315338135,0.146643787622452,0.17403319478035,6.25266218185425,0.380285412073135,28.2660503387451,8.28953742980957,0.383897364139557,0.09907266497612,3.3711256980896,11.9989995956421,0.526324808597565,1.21560919284821,-0.39327597618103,13.7342348098755,0.82126659154892
InChI%3D1S%2FC21H30O3%2Fc1-13%2822%2924-15-8-10-20%282%2914%2812-15%294-5-16-17-6-7-19%2823%2921%2817%2C3%2911-9-18%2816%2920%2Fh4%2C15-18H%2C5-12H2%2C1-3H3,1.34098672866821,0.304529368877411,12.5839948654175,15.9969301223755,0.1532092243433,0.258329272270203,11.2114753723145,0.371527493000031,105.680938720703,15.1635007858276,0.511828005313873,0.107418298721313,4.0418062210083,11.8999996185303,0.457631200551987,2.32318830490112,-0.312500804662704,48.0921363830566,1.62883746623993
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,,,9.7629337310791,34.9720077514648,,0.168600007891655,,,,,,,6.6611008644104,11.9985237121582,,,-0.355713248252869,,
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%2C17H2,1.3532772064209,0.280377775430679,12.0512847900391,78.91943359375,0.280469566583633,0.197130918502808,8.17630290985107,0.316706895828247,43.4969291687012,11.5619983673096,0.497120946645737,0.0123600624501705,6.01527261734009,11.9988346099854,0.539449393749237,3.24278855323792,-0.300641745328903,28.1458892822266,0.142907023429871
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InChI%3D1S%2FC6H14N2O4%2Fc1-5%2810%292-8%287-12%293-6%2811%294-9%2Fh5-6%2C9-11H%2C2-4H2%2C1H3,1.40719151496887,0.213516801595688,7.81932401657104,16.0169982910156,0.252866804599762,0.17390438914299,4.54241609573364,0.468709647655487,29.8778285980225,7.34992170333862,0.395003736019135,0.129110798239708,3.37953472137451,11.9989995956421,0.543478071689606,1.85855114459991,-0.393569886684418,14.5165376663208,0.948954224586487
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%29,1.33888912200928,0.362494498491287,10.0872745513916,15.9949188232422,0.14753033220768,0.137473955750465,11.8778867721558,0.284843415021896,60.6103286743164,14.5444822311401,0.500140726566315,0.0358103476464748,4.78504514694214,11.8500003814697,0.553905010223389,2.14575242996216,-0.348237693309784,32.7911186218262,0.520842969417572
InChI%3D1S%2FC19H20O4%2Fc1-2-3-13-22-18%2820%2916-11-7-8-12-17%2816%2919%2821%2923-14-15-9-5-4-6-10-15%2Fh4-12H%2C2-3%2C13-14H2%2C1H3,1.34896230697632,0.249079659581184,9.72765064239502,15.9979333877563,0.248141124844551,0.295319974422455,13.3994169235229,0.497151255607605,235.606384277344,20.1361885070801,0.341791331768036,0.0864193215966225,4.92710399627686,11.8500003814697,0.510019779205322,4.99661684036255,-0.312027782201767,98.9637145996094,1.74015581607819
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,1.34020411968231,0.264329940080643,8.12963104248047,12.1500825881958,0.243644326925278,0.0900528952479362,4.30050945281982,0.33853006362915,18.3299789428711,6.27103662490845,0.43296229839325,0.0705824196338654,5.44758939743042,11.8500003814697,0.568711757659912,1.52790260314941,-0.210048526525497,9.150559425354,0.4426249563694
InChI%3D1S%2FC7H7NO%2Fc1-6-4-2-3-5-7%286%298-9%2Fh2-5H%2C1H3,1.08643734455109,0.175210252404213,7.96738624572754,16.0168170928955,0.416143298149109,0.130331009626389,3.29244160652161,0.125035867094994,15.1060752868652,5.80731821060181,0.415640980005264,0.0169097185134888,3.45618033409119,11.9989995956421,0.5457603931427,2.41667652130127,-0.304862499237061,8.51740169525146,0.0982001125812531
InChI%3D1S%2FC4H6%2Fc1-3-4-2%2Fh3-4H%2C1-2H2,1.51648235321045,0.261862933635712,5.9972972869873,12.2100191116333,0.302296012639999,0.12646709382534,2.40106439590454,0.448120623826981,6.39394330978394,3.51812601089478,0.522188246250153,0.0152200730517507,4.8872218132019,11.789999961853,0.546173512935638,1.06351542472839,-0.294572412967682,2.73908376693726,0.0535461343824863
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%2C2-3H3,1.32653415203094,0.237336397171021,12.5465898513794,16.0061473846436,0.22486138343811,0.333123087882996,9.09518337249756,0.420042842626572,114.335350036621,13.9972867965698,0.441096425056458,0.125356763601303,4.34051609039307,11.988395690918,0.465394884347916,3.14744925498962,-0.340099722146988,50.1082191467285,1.7546546459198
InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2,1.19295966625214,0.361607253551483,8.57056617736816,34.9688529968262,0.099419429898262,0.118355363607407,9.94125938415527,0.291522711515427,48.3112297058105,12.1907396316528,0.355941832065582,0.0851042419672012,5.53903722763062,11.8500003814697,0.545495092868805,1.21199631690979,-0.310048550367355,23.6200904846191,1.03748369216919
InChI%3D1S%2FC2HCl2F3%2Fc3-1%284%292%285%2C6%297%2Fh1H,1.7193044424057,0.1312645226717,7.65069675445557,34.9701538085938,0.284808665513992,0.429661273956299,1.42253160476685,0.414218813180923,5.87291431427002,2.79831624031067,0.464610636234283,0.206838622689247,3.45525002479553,11.998706817627,0.840475022792816,0.796984732151031,-0.167861774563789,2.41839170455933,0.578799843788147
InChI%3D1S%2FC15H10F3NO%2Fc16-15%2817%2C18%2914%2820%2919-11-5-6-13-10%288-11%297-9-3-1-2-4-12%289%2913%2Fh1-6%2C8H%2C7H2%2C%28H%2C19%2C20%29,1.30941736698151,0.338667690753937,10.0947732925415,19.001256942749,0.163319110870361,0.484786361455917,10.6536693572998,0.279221594333649,62.8404922485352,13.5734510421753,0.486508995294571,0.0517906211316586,3.26874136924744,11.9974021911621,0.543686747550964,2.21680402755737,-0.270173907279968,32.6647529602051,0.702977478504181
InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3,1.65189468860626,0.212795779109001,3.71501851081848,16.0168685913086,0.272218555212021,0.166402727365494,1.24412643909454,0.285713851451874,3.25174331665039,2.01621294021606,0.555809199810028,0.11072039604187,2.50187182426453,11.9999990463257,0.810371577739716,0.548850536346436,-0.280141919851303,1.08309626579285,0.223235890269279
InChI%3D1S%2FC20H16O8%2Fc1-23-10-7-11-13%288-4-5-26-20%288%2927-11%2918-15%2810%2916%2822%2914-9%2821%296-12%2824-2%2917%2825-3%2919%2814%2928-18%2Fh4-8%2C20-21H%2C1-3H3,1.31663572788239,0.232498273253441,10.8546524047852,16.0025634765625,0.330444872379303,0.203467860817909,12.0803327560425,0.249370917677879,139.652770996094,18.7777862548828,0.535915732383728,0.0262240935117006,5.01822757720947,11.996150970459,0.531349062919617,6.20502328872681,-0.376685231924057,83.9630126953125,0.492430418729782
InChI%3D1S%2FC10H13N3O%2Fc14-12-13-7-2-1-5-10%2813%299-4-3-6-11-8-9%2Fh3-4%2C6%2C8%2C10H%2C1-2%2C5%2C7H2,1.44022262096405,0.203457579016685,9.89556980133057,15.9949188232422,0.24157141149044,0.0949622839689255,4.82833623886108,0.435566395521164,37.0430526733398,7.98586750030518,0.543166100978851,0.153818488121033,3.59803557395935,11.9884376525879,0.461490124464035,1.92915725708008,-0.326467096805573,17.615348815918,1.22837400436401
InChI%3D1S%2FC6H6N2O3%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2Fh1-3%2C9H%2C7H2,1.16322672367096,0.247750595211983,7.70655202865601,15.996922492981,0.33549576997757,0.260217815637589,4.42590665817261,0.19477142393589,16.6637172698975,6.66886234283447,0.47476002573967,0.000836775056086481,3.55406260490417,11.8500003814697,0.493695288896561,2.23737502098083,-0.383908122777939,9.93959617614746,0.00558033771812916
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%29,1.53532934188843,0.370865404605865,11.6217594146729,31.9720726013184,0.10984942317009,0.294418752193451,23.3123207092285,0.459919214248657,273.2109375,28.1610794067383,0.452073484659195,0.0623300299048424,4.3900671005249,11.9883060455322,0.623336553573608,3.0934784412384,-0.327805608510971,118.465751647949,1.7552809715271
InChI%3D1S%2FC8H11N3%2Fc1-11%282%2910-9-8-6-4-3-5-7-8%2Fh3-7H%2C1-2H3,1.43203103542328,0.356083184480667,8.17500782012939,14.0050859451294,0.172055289149284,0.103595890104771,8.92775630950928,0.213755264878273,34.108829498291,11.0476865768433,0.556556344032288,0.0198337826877832,5.39664840698242,11.8500003814697,0.661719441413879,1.90081286430359,-0.197723895311356,19.3427219390869,0.219117417931557
InChI%3D1S%2FC15H10O7%2Fc16-7-4-10%2819%2912-11%285-7%2922-15%2814%2821%2913%2812%2920%296-1-2-8%2817%299%2818%293-6%2Fh1-5%2C16-19%2C21H,,,10.0207033157349,16.0068874359131,,0.256984502077103,,,,,,,4.92051410675049,11.9884796142578,,,-0.386504948139191,,
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%2920,1.11513686180115,0.0522188954055309,16.7201957702637,34.9779205322266,0.342930942773819,0.227750346064568,2.64364337921143,0.310838311910629,30.5818576812744,6.5605845451355,0.419407874345779,0.254110544919968,7.08480787277222,11.9985313415527,0.384890705347061,2.24982738494873,-0.293300718069077,14.105712890625,1.66711366176605
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%2C1H3,1.25995683670044,0.343169718980789,,,0.193147554993629,,14.6336717605591,0.212976232171059,91.6194534301758,18.502721786499,0.472466140985489,0.0159594789147377,,,0.574514448642731,3.57375550270081,,57.6737060546875,0.295293778181076
InChI%3D1S%2FC15H22O3%2Fc1-11-6-7-12%282%2913%2810-11%2918-9-5-8-15%283%2C4%2914%2816%2917%2Fh6-7%2C10H%2C5%2C8-9H2%2C1-4H3%2C%28H%2C16%2C17%29,1.38084650039673,0.287384986877441,9.26693534851074,15.9987077713013,0.171242982149124,0.284284740686417,10.0013484954834,0.329691886901855,94.7330322265625,13.9583568572998,0.509177327156067,0.112243704497814,4.34328508377075,11.9961862564087,0.541977286338806,2.39027070999146,-0.35090696811676,43.3203468322754,1.56673777103424
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%2C15H2,1.39595413208008,0.334517419338226,10.0913963317871,15.9959230422974,0.208203718066216,0.195505529642105,9.39027500152588,0.314783185720444,40.9193000793457,12.0487537384033,0.533119261264801,0.0124397194013,5.52396297454834,11.8500003814697,0.548051655292511,2.50859522819519,-0.302582800388336,25.3398399353027,0.149883106350899
InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3,1.36908149719238,0.245478689670563,8.47796726226807,12.1500968933105,0.309406191110611,0.0986799597740173,4.9505467414856,0.285712242126465,23.1800022125244,7.49358177185059,0.515869796276093,0.0299555603414774,6.00395488739014,11.8500003814697,0.56749951839447,2.31856060028076,-0.201537132263184,13.1098718643188,0.22447444498539
InChI%3D1S%2FC6H12ClN3O3%2Fc1-5%2811%294-10%289-13%296%2812%298-3-2-7%2Fh5%2C11H%2C2-4H2%2C1H3%2C%28H%2C8%2C12%29,1.46443378925323,0.155796602368355,8.1015739440918,34.9693794250488,0.298226833343506,0.236433953046799,4.31988096237183,0.475868850946426,40.066333770752,7.98407554626465,0.485040754079819,0.160711020231247,3.47288584709167,11.9985628128052,0.503524124622345,2.38106560707092,-0.391412168741226,18.8840980529785,1.2831289768219
InChI%3D1S%2FC16H14O6%2Fc17-10-2-1-8-13-9-4-12%2819%2911%2818%293-7%289%295-16%2813%2C21%296-22-15%288%2914%2810%2920%2Fh1-4%2C13%2C17-21H%2C5-6H2,1.48724734783173,0.20734603703022,11.6300706863403,16.0007972717285,0.296955406665802,0.13341398537159,7.69559288024902,0.452435821294785,88.8651428222656,12.6199731826782,0.544438302516937,0.0932498946785927,5.07128524780273,11.9961776733398,0.490373224020004,3.74756908416748,-0.385860592126846,42.306209564209,1.17681121826172
InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3,1.82299566268921,0.155502557754517,6.99242544174194,78.9185180664062,0.283678501844406,0.0830138474702835,1.21880102157593,0.499928116798401,4.07805776596069,2.2542417049408,0.584161520004272,0.175651431083679,5.42599678039551,11.9989070892334,0.738905966281891,0.639479875564575,-0.196960434317589,1.51520502567291,0.395960748195648
InChI%3D1S%2FC11H14N2O4%2Fc1-8%282%2916-9-6-4-5-7-10%289%2917-11%2814%2913%283%2912-15%2Fh4-8H%2C1-3H3,1.45801889896393,0.106274291872978,8.83086967468262,16.0170001983643,0.401797622442245,0.367573499679565,4.79075717926025,0.456616252660751,64.5971527099609,10.0851163864136,0.498907417058945,0.123169980943203,3.15487551689148,11.9989995956421,0.502495229244232,4.05217599868774,-0.340137511491776,30.3975372314453,1.24218368530273
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,1.6898672580719,0.142797142267227,5.96626329421997,15.9974174499512,0.384768813848495,0.0796170309185982,1.64504504203796,0.363595128059387,6.52072954177856,3.14102029800415,0.738164603710175,0.0915016606450081,5.1578631401062,11.9969358444214,0.588107526302338,1.20856666564941,-0.376168370246887,2.80829906463623,0.28740856051445
InChI%3D1S%2FC13H11NO5%2Fc1-2-14-5-8%2813%2816%2917%2912%2815%297-3-10-11%284-9%287%2914%2919-6-18-10%2Fh3-5H%2C2%2C6H2%2C1H3%2C%28H%2C16%2C17%29,1.39211428165436,0.218499273061752,10.3457908630371,15.9989337921143,0.309898465871811,0.274925321340561,7.39853191375732,0.424912810325623,68.6248168945312,11.8439855575562,0.518791258335114,0.0654358342289925,4.42032718658447,11.8500003814697,0.448410242795944,3.67043328285217,-0.350033432245255,35.7344970703125,0.775021135807037
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%29,1.441246509552,0.36967208981514,9.29199504852295,14.0094022750854,0.126379355788231,0.112328507006168,11.8788623809814,0.3931545317173,59.9986305236816,14.3771953582764,0.504354059696198,0.0473911799490452,5.40272903442383,11.994402885437,0.543737888336182,1.81698060035706,-0.313738375902176,30.9153575897217,0.681352257728577
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,1.3378232717514,0.237329453229904,8.60701370239258,31.972677230835,0.284557074308395,0.174878552556038,2.7353880405426,0.358138352632523,9.47980308532715,4.20976209640503,0.564610242843628,0.0656703412532806,6.56010770797729,11.9985771179199,0.415074676275253,1.19791746139526,-0.266930758953094,4.36415672302246,0.276456505060196
InChI%3D1S%2FC4H9N3O3%2Fc5-4%289%297%286-10%292-1-3-8%2Fh8H%2C1-3H2%2C%28H2%2C5%2C9%29,1.6550030708313,0.162079408764839,7.44894599914551,16.0169315338135,0.305812388658524,0.233444109559059,3.31362581253052,0.540840625762939,21.9801387786865,6.03092336654663,0.536428868770599,0.144748404622078,3.28581094741821,11.9989995956421,0.577733635902405,1.84433114528656,-0.395696699619293,10.6141471862793,0.872966587543488
InChI%3D1S%2FC5H3Cl5%2Fc1-2%284%287%298%293%286%295%289%2910%2Fh1H3,1.00671052932739,0.167859181761742,11.5167560577393,34.9729766845703,0.28689306974411,0.212491437792778,3.00464177131653,0.233733296394348,17.7801742553711,5.39292049407959,0.339628428220749,0.155961349606514,7.09878921508789,11.9985771179199,0.433348804712296,1.54719150066376,-0.146832764148712,8.47724437713623,0.841087162494659
InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2,1.29688036441803,0.204023003578186,7.85413932800293,16.0169315338135,0.374354928731918,0.190449684858322,3.97883200645447,0.132202699780464,18.52587890625,6.57262706756592,0.591676354408264,0.0202810689806938,3.59796929359436,11.9989995956421,0.573001325130463,2.46049547195435,-0.383152961730957,10.6482591629028,0.13329990208149
InChI%3D1S%2FC2H3N3O%2Fc1-5%282-3%294-6%2Fh1H3,1.03731179237366,0.156248345971107,5.81850385665894,16.0168151855469,0.401250660419464,0.231914266943932,1.73421990871429,0.214607492089272,6.38847064971924,3.20164966583252,0.456799238920212,0.0570848844945431,2.87155532836914,11.9989995956421,0.36590501666069,1.28466403484344,-0.269834727048874,2.77963876724243,0.182765811681747
InChI%3D1S%2FC4H10N2S%2Fc1-5-4%287%296%282%293%2Fh1-3H3%2C%28H%2C5%2C7%29,1.34059846401215,0.147940307855606,9.4222526550293,31.9720706939697,0.298237025737762,0.134554773569107,3.00149393081665,0.492133378982544,20.1643466949463,5.6569299697876,0.323885083198547,0.171175882220268,5.53799533843994,11.9936571121216,0.52457994222641,1.68710601329803,-0.301294386386871,9.60395050048828,0.968329966068268
InChI%3D1S%2FC14H12N4O3S%2Fc19-8-7-15-13-9-3-1-2-4-10%289%2916-14%2817-13%2911-5-6-12%2822-11%2918%2820%2921%2Fh1-6%2C19H%2C7-8H2%2C%28H%2C15%2C16%2C17%29,1.23089778423309,0.257118374109268,11.7665500640869,31.9720726013184,0.240273058414459,0.209645688533783,10.5124912261963,0.434792160987854,124.354026794434,15.5473918914795,0.367702066898346,0.0835691094398499,4.09755420684814,11.9989995956421,0.428403526544571,3.73561954498291,-0.393901258707047,57.7829742431641,1.29928171634674
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3,1.28280818462372,0.281309098005295,6.56926965713501,30.973762512207,0.224922880530357,0.453915268182755,11.0140581130981,0.348858267068863,109.024993896484,15.5475292205811,0.43660843372345,0.0666649714112282,3.51460242271423,11.8900003433228,0.497341513633728,3.496994972229,-0.284379482269287,53.5564575195312,1.03647553920746
InChI%3D1S%2FC18H15N3O%2Fc1-21%2820-22%2916-10-7-14%288-11-16%296-9-15-12-13-19-18-5-3-2-4-17%2815%2918%2Fh2-13H%2C1H3,1.31430745124817,0.281230509281158,10.3489246368408,15.9949207305908,0.174017354846001,0.103269316256046,11.4454212188721,0.283670604228973,136.649627685547,16.1588344573975,0.468356966972351,0.117675304412842,3.3787534236908,11.8500003814697,0.562279880046844,2.81191754341125,-0.255679309368134,59.2938537597656,1.90149581432343
InChI%3D1S%2FC2H2ClF3%2Fc3-1-2%284%2C5%296%2Fh1H2,1.91244220733643,0.15566711127758,5.69951009750366,34.9693794250488,0.267440617084503,0.407668083906174,1.37040650844574,0.484043389558792,4.9076714515686,2.53361654281616,0.625153660774231,0.191669911146164,2.96624994277954,11.998706817627,0.803245186805725,0.677591919898987,-0.199106886982918,1.92312145233154,0.485618025064468
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,1.20449459552765,0.227714225649834,7.38454151153564,15.9959182739258,0.36304759979248,0.248806267976761,3.35602617263794,0.170686572790146,11.6884784698486,5.26888179779053,0.52013224363327,1.00120615798005e-07,3.49059367179871,11.8500003814697,0.51367574930191,1.91285479068756,-0.132697328925133,6.41959381103516,5.27523695836862e-07
InChI%3D1S%2FC12H19NO3%2Fc1-12%282%2C3%2913-7-11%2816%298-4-9%2814%296-10%2815%295-8%2Fh4-6%2C11%2C13-16H%2C7H2%2C1-3H3,1.35071742534637,0.329180777072906,9.26560688018799,15.9969253540039,0.141532346606255,0.182741731405258,10.3660793304443,0.341240853071213,70.1092529296875,13.4233732223511,0.429019451141357,0.0862266197800636,5.00037097930908,11.8500003814697,0.580457150936127,1.89984154701233,-0.38661715388298,33.8911247253418,1.15745210647583
InChI%3D1S%2FC3H3N3O2S%2Fc4-3-5-1-2%289-3%296%287%298%2Fh1H%2C%28H2%2C4%2C5%29,1.34483909606934,0.244827151298523,9.24563121795654,31.9720706939697,0.237754866480827,0.179632470011711,3.43822693824768,0.288627088069916,14.2439203262329,5.21125459671021,0.567074477672577,0.102475605905056,3.90688014030457,11.9989995956421,0.489137560129166,1.2390011548996,-0.283253163099289,6.75773048400879,0.534026443958282
InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2,1.41881477832794,0.0991943702101707,6.86900854110718,15.9959182739258,0.399685680866241,0.154758095741272,2.02706742286682,0.412207931280136,12.1596603393555,4.35373735427856,0.505260169506073,0.13472181558609,3.16474747657776,11.8999996185303,0.501346707344055,1.74012649059296,-0.377905517816544,5.73697662353516,0.586543440818787
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,1.33032894134521,0.255679935216904,8.19418430328369,15.9949169158936,0.294992685317993,0.115795120596886,4.07902717590332,0.235267400741577,15.775918006897,6.04981565475464,0.501384139060974,0.0307674221694469,6.25058889389038,11.8500003814697,0.593677401542664,1.78465127944946,-0.34482878446579,8.37108993530273,0.186137229204178
InChI%3D1S%2FC6H14N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-6H2%2C1-2H3,1.25529861450195,0.282271146774292,7.52525854110718,16.0168170928955,0.18725098669529,0.173729062080383,5.27898836135864,0.412193894386292,25.5419082641602,7.43839168548584,0.30785471200943,0.103054143488407,3.30513262748718,11.9989995956421,0.535250008106232,1.3928462266922,-0.275210827589035,12.4671611785889,0.766557097434998
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%2C1-4H3,1.69169783592224,0.328873664140701,9.44680118560791,14.0092868804932,0.118488356471062,0.0312850810587406,14.9702491760254,0.613040924072266,163.724472045898,19.3957462310791,0.463398158550262,0.109680101275444,5.9936785697937,11.9933195114136,0.615258812904358,2.29817008972168,-0.319627434015274,71.139762878418,2.12732744216919
InChI%3D1S%2FC9H11N3O2%2Fc13-10-12-6-2-4-9%2812%298-3-1-5-11%2814%297-8%2Fh1%2C3%2C5%2C7%2C9H%2C2%2C4%2C6H2,1.30382525920868,0.273047596216202,9.92078113555908,15.995922088623,0.159165263175964,0.087752528488636,6.25799322128296,0.2922722697258,39.3086738586426,8.97336101531982,0.437910526990891,0.143437951803207,3.55583953857422,11.9944458007812,0.573642373085022,1.42824733257294,-0.207657054066658,18.8310794830322,1.28712046146393
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,,,9.89373207092285,31.9720726013184,,0.277933925390244,,,,,,,3.40983009338379,11.9989995956421,,,-0.350755363702774,,
InChI%3D1S%2FC2H5ClO%2Fc1-4-2-3%2Fh2H2%2C1H3,1.57317864894867,0.2557253241539,5.67785978317261,34.9693794250488,0.196516022086143,0.183878690004349,1.92259311676025,0.486281901597977,5.23982572555542,2.85124111175537,0.359257519245148,0.129183560609818,4.20024538040161,11.998706817627,0.727639257907867,0.560314536094666,-0.362280130386353,1.99179494380951,0.368333488702774
InChI%3D1S%2FC6H10N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh3-4H2%2C1-2H3,1.26677417755127,0.346364796161652,7.68625926971436,16.0169315338135,0.126698285341263,0.174220487475395,6.80053853988647,0.453267276287079,26.1160984039307,8.552490234375,0.283502638339996,0.0781486555933952,3.34587550163269,11.9989995956421,0.530004262924194,1.08358573913574,-0.298965930938721,12.6384449005127,0.668365597724915
InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29,1.64496612548828,0.122274443507195,8.18281364440918,34.9701538085938,0.324943244457245,0.304435521364212,1.40316033363342,0.25003120303154,5.9396276473999,2.8268666267395,0.556766510009766,0.178690820932388,4.07099580764771,11.998706817627,0.838168442249298,0.91857123374939,-0.328706383705139,2.46169090270996,0.505135118961334
InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3,1.28919565677643,0.360212773084641,8.72925853729248,15.9959192276001,0.138653799891472,0.206126391887665,8.40810012817383,0.37629508972168,33.178524017334,10.3342237472534,0.373910158872604,0.0477291941642761,5.32294368743896,11.8500003814697,0.538990378379822,1.43287932872772,-0.316523253917694,16.901798248291,0.493244141340256
InChI%3D1S%2FC7H10N2O%2Fc1-10-7-3-2-5%288%294-6%287%299%2Fh2-4H%2C8-9H2%2C1H3,1.21956360340118,0.261016756296158,8.16068172454834,15.9949178695679,0.293587267398834,0.0930308029055595,5.2124981880188,0.2727210521698,23.0313510894775,7.65018701553345,0.444974482059479,0.0250570587813854,4.83090114593506,11.9935121536255,0.501868009567261,2.24599742889404,-0.347122937440872,13.1369867324829,0.191691190004349
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%2C16-17H2,1.40520751476288,0.313601940870285,9.86156463623047,34.970157623291,0.153039410710335,0.136348307132721,9.87663650512695,0.402466744184494,72.8620758056641,13.1431016921997,0.462269186973572,0.0954913347959518,6.08218145370483,11.9985208511353,0.540471613407135,2.01141262054443,-0.301806271076202,34.7861137390137,1.25505232810974
InChI%3D1S%2FC5H11N3O2%2Fc1-2-3-4-8%287-10%295%286%299%2Fh2-4H2%2C1H3%2C%28H2%2C6%2C9%29,1.44586730003357,0.324015200138092,7.54732418060303,15.9982604980469,0.131794095039368,0.25398251414299,5.72230052947998,0.468768775463104,22.6095733642578,7.47667551040649,0.445675224065781,0.102852322161198,3.3343243598938,11.9963998794556,0.531423270702362,0.985381662845612,-0.355057597160339,10.7968130111694,0.768993437290192
InChI%3D1S%2FC8H11NO%2Fc1-6-5-7%2810-2%293-4-8%286%299%2Fh3-5H%2C9H2%2C1-2H3,1.18855440616608,0.256359726190567,8.35476589202881,15.9949169158936,0.304951518774033,0.121193401515484,5.38443183898926,0.207584038376808,24.389612197876,7.97520780563354,0.465528428554535,0.0199021715670824,4.77324533462524,11.8500003814697,0.51544189453125,2.43205165863037,-0.348686784505844,14.335880279541,0.158723950386047
InChI%3D1S%2FC12H15ClO3%2Fc1-4-15-11%2814%2912%282%2C3%2916-10-7-5-9%2813%296-8-10%2Fh5-8H%2C4H2%2C1-3H3,1.38952255249023,0.27261620759964,9.36204051971436,34.9688529968262,0.232277557253838,0.293838292360306,8.64770030975342,0.374920547008514,69.4175872802734,12.4102058410645,0.52295333147049,0.0709008276462555,4.72073125839233,11.8500003814697,0.491648614406586,2.88261222839355,-0.329390615224838,35.0734176635742,0.879893898963928
InChI%3D1S%2FC10H22N2O%2Fc1-3-5-7-9-12%2811-13%2910-8-6-4-2%2Fh3-10H2%2C1-2H3,1.42701601982117,0.104081965982914,7.99682807922363,16.0168170928955,0.434373617172241,0.173766374588013,4.45728349685669,0.408003985881805,51.4159622192383,9.44121074676514,0.525432288646698,0.0935171023011208,3.42441630363464,11.9989995956421,0.493579745292664,4.10101270675659,-0.275211811065674,25.8356227874756,0.88291472196579
InChI%3D1S%2FC6H7ClN2%2Fc7-5-2-1-4%288%293-6%285%299%2Fh1-3H%2C8-9H2,1.5419203042984,0.220594793558121,8.88063430786133,34.9688529968262,0.369959205389023,0.160536900162697,3.83474016189575,0.46703052520752,15.014874458313,6.11153221130371,0.526164293289185,0.00258109043352306,5.66568040847778,11.8500003814697,0.548725485801697,2.26101756095886,-0.302876174449921,8.76657199859619,0.015774417668581
InChI%3D1S%2FC7H8O2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4%2C8-9H%2C1H3,1.10888767242432,0.244660913944244,7.67732572555542,15.9959182739258,0.325832903385162,0.200962215662003,4.16439723968506,0.117647208273411,16.2466239929199,6.31401824951172,0.450462281703949,0.0146191921085119,4.79039001464844,11.8500003814697,0.540778160095215,2.0573148727417,-0.358750939369202,9.14177703857422,0.0923058465123177
InChI%3D1S%2FC2H6O3P%2Fc1-4-6%283%295-2%2Fh1-2H3%2Fq%2B1,,,3.44836735725403,30.973762512207,,0.425083577632904,,,,,,,1.94624650478363,11.9966878890991,,,-0.33194687962532,,
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%29,1.60141324996948,0.351238071918488,9.97917556762695,14.0061006546021,0.173099145293236,0.157773166894913,11.0389261245728,0.491484344005585,53.8987083435059,13.7702436447144,0.543637871742249,0.0252500735223293,5.66262340545654,11.8500003814697,0.566290974617004,2.38361740112305,-0.278200656175613,30.9795913696289,0.347699671983719
InChI%3D1S%2FC5H10N2O2%2Fc1-2-3-7%286-9%294-5-8%2Fh2%2C8H%2C1%2C3-5H2,1.24098217487335,0.220101699233055,7.41288423538208,16.0168704986572,0.272529274225235,0.173993423581123,3.98912072181702,0.370246350765228,21.3828907012939,6.36424112319946,0.354943364858627,0.100668452680111,3.27668023109436,11.9989995956421,0.515792489051819,1.73444211483002,-0.394357293844223,10.5858612060547,0.640678346157074
InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3,1.27053487300873,0.248048320412636,5.21050453186035,15.9974164962769,0.220627307891846,0.0949969589710236,1.92057192325592,0.316696971654892,5.37960863113403,2.89214706420898,0.349343299865723,0.115308277308941,4.17043542861938,11.9970207214355,0.604494571685791,0.63808661699295,-0.394129395484924,2.07877445220947,0.333488494157791
InChI%3D1S%2FC6H12N2O4%2Fc1-4%289%292-7-3-5%2810%296%2811%298-12%2Fh5-7%2C10-11H%2C2-3H2%2C1H3,1.44397473335266,0.213216513395309,7.41455078125,16.0169982910156,0.234024897217751,0.214266538619995,4.46860647201538,0.370289415121078,29.5367088317871,7.23517990112305,0.501202821731567,0.148353099822998,3.1327109336853,11.9989995956421,0.572482466697693,1.69321227073669,-0.386733859777451,14.1801567077637,1.07336127758026
InChI%3D1S%2FC9H10N4O4%2Fc1-6-5-12%289%2814%2911-6%2910-4-7-2-3-8%2817-7%2913%2815%2916%2Fh2-4%2C6H%2C5H2%2C1H3%2C%28H%2C11%2C14%29,1.31055867671967,0.34468349814415,8.58923053741455,15.9992933273315,0.172921776771545,0.278264135122299,11.6797180175781,0.234449088573456,66.6133346557617,14.7301692962646,0.450733959674835,0.034166906028986,3.37423920631409,11.9962682723999,0.625375628471375,2.5471670627594,-0.354974895715714,36.9103622436523,0.503284275531769
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,1.22987258434296,0.168250918388367,6.41464805603027,15.9959182739258,0.442332118749619,0.312512814998627,2.62852263450623,0.35608446598053,10.1936168670654,4.71341943740845,0.41761103272438,1.51198431552757e-09,4.31948900222778,11.9886379241943,0.456177026033401,2.08489656448364,-0.344640821218491,5.48019790649414,7.12661574198137e-09
InChI%3D1S%2FC10H15N3O2%2Fc1-13%2812-15%297-3-5-10%2814%299-4-2-6-11-8-9%2Fh2%2C4%2C6%2C8%2C10%2C14H%2C3%2C5%2C7H2%2C1H3,1.37938952445984,0.240922823548317,8.80440330505371,16.0168743133545,0.228934824466705,0.173620998859406,6.43103790283203,0.340340614318848,50.7826995849609,9.82492256164551,0.509136140346527,0.116501420736313,3.1620991230011,11.9989995956421,0.529912769794464,2.24926686286926,-0.387801021337509,24.400749206543,1.14461743831635
InChI%3D1S%2FC3H6N6%2Fc4-1-7-2%285%299-3%286%298-1%2Fh%28H6%2C4%2C5%2C6%2C7%2C8%2C9%29,1.50251746177673,0.151378333568573,7.61092185974121,14.0099649429321,0.453420788049698,0.183416426181793,2.99755430221558,0.527851223945618,14.0541467666626,5.60111379623413,0.496591150760651,0.0114081194624305,5.31381273269653,11.9947319030762,0.47807502746582,2.5396614074707,-0.279204040765762,7.96659088134766,0.0638981759548187
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%29,1.18758952617645,0.18904735147953,11.0772953033447,14.0050935745239,0.297511577606201,0.0992720574140549,5.64338636398315,0.298572242259979,53.7042922973633,9.64028072357178,0.438755720853806,0.117091961205006,5.97975826263428,11.8999996185303,0.450261563062668,2.86809515953064,-0.292918741703033,25.7935256958008,1.12879943847656
InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2,1.39081203937531,0.321181833744049,7.25531339645386,34.9701538085938,0.152533188462257,0.110591277480125,3.66881418228149,0.340919762849808,10.450870513916,4.81739902496338,0.429153800010681,0.085891030728817,5.28791189193726,11.9985990524292,0.620738446712494,0.734813213348389,-0.212266653776169,4.51798820495605,0.413771331310272
InChI%3D1S%2FC12H4Cl6%2Fc13-7-3-1-5%289%2815%2911%287%2917%296-2-4-8%2814%2912%2818%2910%286%2916%2Fh1-4H,1.55611026287079,0.310099720954895,11.9678392410278,34.9739570617676,0.140400171279907,0.150863498449326,7.85627412796021,0.526021301746368,46.9684829711914,10.5199222564697,0.524613380432129,0.11280020326376,6.86943340301514,11.9985237121582,0.505475461483002,1.47699880599976,-0.170723974704742,22.6790294647217,1.18664932250977
InChI%3D1S%2FC12H10N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H,1.6844242811203,0.392553120851517,8.37819194793701,14.0040864944458,0.142763167619705,0.103722363710403,12.2891235351562,0.523555874824524,39.7928123474121,14.3440952301025,0.528593122959137,0.000499348097946495,6.50909948348999,11.8500003814697,0.632275283336639,2.04780840873718,-0.197743594646454,25.2684631347656,0.00716269668191671
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%2C1H3,1.22503578662872,0.0776135921478271,10.4890012741089,34.9688529968262,0.402083814144135,0.0910941958427429,5.36578559875488,0.366664946079254,111.62353515625,12.2837972640991,0.43660569190979,0.161098048090935,5.62158155441284,11.8500003814697,0.421765178442001,4.93911647796631,-0.343921095132828,46.8945655822754,1.97889578342438
InChI%3D1S%2FC5H8O2%2Fc1-5%282%293-7-4%285%296%2Fh3H2%2C1-2H3,1.42938542366028,0.04209228977561,7.74800300598145,16.0060234069824,0.349881768226624,0.34212663769722,1.53635847568512,0.322023332118988,11.2450180053711,3.94487929344177,0.471110731363297,0.260661840438843,3.86969661712646,11.9887399673462,0.636251389980316,1.38024139404297,-0.337751090526581,5.11962556838989,1.02827954292297
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,1.5624794960022,0.125002101063728,6.39342927932739,12.1500539779663,0.499997198581696,0.0882962495088577,2.02867126464844,0.515548586845398,8.17278099060059,4.05732011795044,0.523467063903809,6.43662290134017e-10,6.09337520599365,11.8500003814697,0.523463845252991,2.02864861488342,-0.211758151650429,4.1154613494873,2.61154387004581e-09
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,1.79876053333282,0.244198799133301,5.86817216873169,34.9693794250488,0.341068267822266,0.0834903791546822,1.37341105937958,0.59637188911438,3.0606415271759,2.08429956436157,0.567934691905975,1.66731642381457e-10,4.77382135391235,11.998706817627,0.634453892707825,0.710888385772705,-0.193793177604675,0.976341962814331,3.47518680499093e-10
InChI%3D1S%2FC2H3Br%2Fc1-2-3%2Fh2H%2C1H2,1.58564531803131,0.237280771136284,7.02517175674438,78.9185180664062,0.350292295217514,0.0745517313480377,1.42357349395752,0.485661655664444,3.28372645378113,2.1910982131958,0.534491419792175,3.4449515462498e-10,5.45749759674072,11.9989070892334,0.565492153167725,0.767524898052216,-0.175355419516563,1.09262800216675,7.54822759851947e-10
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,1.4200404882431,0.167725935578346,8.44905281066895,34.9701538085938,0.443032085895538,0.120973698794842,2.56632828712463,0.488543391227722,9.84644889831543,4.6076774597168,0.525161385536194,4.28324070655961e-10,6.00330066680908,11.9985628128052,0.406335711479187,2.04134893417358,-0.178569987416267,5.23877143859863,1.97357907794071e-09
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,1.272824883461,0.125001788139343,11.3837738037109,34.9739570617676,0.499997615814209,0.167216703295708,2.84251236915588,0.341489404439926,13.7647972106934,5.68499755859375,0.465668231248856,4.21100443404043e-09,7.47172689437866,11.9985628128052,0.465667307376862,2.84248518943787,-0.167001381516457,8.07979965209961,2.39395490098104e-08
InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,1.58688271045685,0.258601933717728,5.17695713043213,15.9979419708252,0.262157827615738,0.153052613139153,1.98435688018799,0.222222149372101,5.1951150894165,2.92619347572327,0.627325236797333,0.0597062893211842,3.88754177093506,11.9966878890991,0.737335383892059,0.767124474048615,-0.372745186090469,2.00296592712402,0.174712151288986
InChI%3D1S%2FC20H19NO3%2Fc1-20%282%2910-9-13-15%2824-20%2911-16%2823-4%2917-18%2813%2921%283%2914-8-6-5-7-12%2814%2919%2817%2922%2Fh5-11H%2C1-4H3,,,11.7661056518555,15.9969310760498,,0.154548421502113,,,,,,,5.28758859634399,11.9932918548584,,,-0.373381942510605,,
InChI%3D1S%2FC5H12N2O3%2Fc1-5%289%294-7%286-10%292-3-8%2Fh5%2C8-9H%2C2-4H2%2C1H3,1.4268012046814,0.231247559189796,7.44613599777222,16.0169315338135,0.207470461726189,0.173864006996155,4.20333385467529,0.471741765737534,23.4061813354492,6.55068302154541,0.377026587724686,0.150866135954857,3.28509926795959,11.9989995956421,0.578032851219177,1.35907328128815,-0.394651591777802,11.2098331451416,0.988276243209839
InChI%3D1S%2FC22H32O2%2Fc1-17%289-7-10-18%282%2914-16-24-20%284%2923%2912-13-21-19%283%2911-8-15-22%2821%2C5%296%2Fh7%2C9-10%2C12-14H%2C8%2C11%2C15-16H2%2C1-6H3,1.54869365692139,0.251502603292465,11.4028367996216,15.9959259033203,0.228095293045044,0.258701413869858,10.4289226531982,0.472914636135101,134.952789306641,15.5965137481689,0.51995050907135,0.103234551846981,3.79320883750916,11.8900003433228,0.555828452110291,3.55749130249023,-0.311738401651382,59.6203155517578,1.61009895801544
InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296,1.96109211444855,0.246391490101814,3.66421484947205,19.0020332336426,0.338144659996033,0.357081592082977,1.53559601306915,0.491610735654831,3.52487874031067,2.32013845443726,0.666666686534882,5.22452220375058e-11,2.65272426605225,11.9978256225586,0.802814722061157,0.784542441368103,-0.190124750137329,1.20474028587341,1.21216148230019e-10
InChI%3D1S%2FC8H8N2O2%2Fc1-10%289-12%298%2811%297-5-3-2-4-6-7%2Fh2-6H%2C1H3,1.18755125999451,0.277052342891693,8.73950672149658,15.9959211349487,0.17193503677845,0.255537241697311,5.33815479278564,0.314491093158722,27.5311241149902,7.59624004364014,0.355942636728287,0.125328525900841,3.29201984405518,11.8500003814697,0.517117559909821,1.30605983734131,-0.272786885499954,13.2974109649658,0.952025532722473
InChI%3D1S%2FC5H3Cl3O3%2Fc6-2-1%283%287%298%294%289%2911-5%282%2910%2Fh3-4%2C9H,1.17107689380646,0.134653657674789,10.3602609634399,34.9710578918457,0.39157509803772,0.313847154378891,2.68598484992981,0.31113675236702,15.8722620010376,5.23714923858643,0.39888396859169,0.0955533757805824,4.66787052154541,11.9985771179199,0.46105620265007,2.05073714256287,-0.363484412431717,7.87863397598267,0.500427305698395
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%2C1-2H3,1.20082581043243,0.28412401676178,11.5337781906128,15.9959239959717,0.160527423024178,0.108995750546455,9.93707656860352,0.494098037481308,97.3801345825195,13.9533271789551,0.300976932048798,0.127307206392288,4.86094284057617,11.8500003814697,0.405750811100006,2.23989176750183,-0.361398875713348,43.8886451721191,1.7763592004776
InChI%3D1S%2FC10H9N3O3%2Fc1-6-5-7%282%2912-10%2811-6%298-3-4-9%2816-8%2913%2814%2915%2Fh3-5H%2C1-2H3,,,8.9415111541748,16.0169334411621,,0.277969419956207,,,,,,,3.38606548309326,11.9989995956421,,,-0.331199526786804,,
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%2C1-2H3,1.59844982624054,0.349742949008942,10.0765161514282,14.0040884017944,0.160469397902489,0.109306521713734,11.8726501464844,0.40290555357933,68.3190765380859,14.8471736907959,0.584404230117798,0.0398733392357826,5.93190622329712,11.8500003814697,0.611140131950378,2.38251709938049,-0.303225100040436,36.7259407043457,0.592006385326385
InChI%3D1S%2FC3H7N3O2%2Fc1-2-6%285-8%293%284%297%2Fh2H2%2C1H3%2C%28H2%2C4%2C7%29,1.63294839859009,0.171669483184814,7.07575511932373,15.9982604980469,0.256973773241043,0.253964155912399,2.70843553543091,0.555627286434174,14.5276527404785,4.81734323501587,0.48130065202713,0.180800244212151,3.21643424034119,11.9965486526489,0.596020400524139,1.23793089389801,-0.355054020881653,6.79004955291748,0.870976805686951
InChI%3D1S%2FC5H12N2S%2Fc1-3-6-5%288%297-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C6%2C7%2C8%29,1.16117024421692,0.25483575463295,9.4222526550293,31.9720706939697,0.268852293491364,0.132672294974327,5.18412685394287,0.319917142391205,26.4763946533203,7.70170259475708,0.288305580615997,0.058033362030983,5.28474187850952,11.8900003433228,0.552947521209717,2.0706205368042,-0.268818497657776,13.9769096374512,0.446955680847168
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,1.27700185775757,0.278831422328949,8.29837989807129,12.1500825881958,0.29489141702652,0.0922131165862083,4.37717914581299,0.250968933105469,14.2208061218262,6.20780897140503,0.502695679664612,2.14929567476929e-08,5.47908926010132,11.8500003814697,0.523337244987488,1.83062970638275,-0.207942187786102,8.01299571990967,1.33424180148722e-07
InChI%3D1S%2FC13H16N4O6%2Fc18-13-16%2814-7-10-1-2-12%2822-10%2917%2819%2920%299-11%2823-13%298-15-3-5-21-6-4-15%2Fh1-2%2C7%2C11H%2C3-6%2C8-9H2,,,8.72112941741943,16.0171546936035,,0.360451966524124,,,,,,,3.35176467895508,11.9989995956421,,,-0.37812203168869,,
InChI%3D1S%2FC10H13N3O2%2Fc1-13%2812-15%297-3-5-10%2814%299-4-2-6-11-8-9%2Fh2%2C4%2C6%2C8H%2C3%2C5%2C7H2%2C1H3,1.45919585227966,0.336216151714325,8.73015022277832,16.0168743133545,0.150900050997734,0.173576682806015,9.08205318450928,0.42830502986908,48.5252380371094,11.6195030212402,0.489554405212402,0.0674784258008003,3.15974450111389,11.9989995956421,0.541336417198181,1.75338351726532,-0.293706744909286,24.4200172424316,0.784065783023834
InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3,1.46568822860718,0.304633647203445,13.0387535095215,34.9693794250488,0.171169340610504,0.104249462485313,8.40300464630127,0.486400991678238,54.7966728210449,11.3629121780396,0.448565632104874,0.0893191248178482,6.17049980163574,11.9985437393188,0.530721604824066,1.94498229026794,-0.263689130544662,26.8461303710938,1.01492536067963
InChI%3D1S%2FC21H33NO7%2Fc1-7-13%282%2918%2823%2929-16-9-11-22-10-8-15%2817%2816%2922%2912-28-19%2824%2921%2826%2C14%283%2927-6%2920%284%2C5%2925%2Fh7-8%2C14%2C16-17%2C25-26H%2C9-12H2%2C1-6H3,1.50188982486725,0.195467352867126,10.7377500534058,16.0016689300537,0.284461379051208,0.299705773591995,10.1493310928345,0.425626814365387,200.099166870117,17.0876693725586,0.506409168243408,0.12158215045929,4.9506516456604,11.9961462020874,0.569853782653809,4.8607816696167,-0.41000309586525,80.5180282592773,2.07755565643311
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,,,10.134165763855,31.9720726013184,,0.277929544448853,,,,,,,3.41172909736633,11.9989995956421,,,-0.349673211574554,,
InChI%3D1S%2FC6H14NO4P%2Fc1-9-12%288%2C10-2%297-3-5-11-6-4-7%2Fh3-6H2%2C1-2H3,1.42293643951416,0.207304999232292,7.3252592086792,30.973762512207,0.243759900331497,0.390082091093063,5.36470317840576,0.454212158918381,44.8134574890137,8.7983455657959,0.411159694194794,0.14650009572506,3.62099266052246,11.8999996185303,0.557564556598663,2.14468383789062,-0.378437757492065,21.1848793029785,1.28895843029022
InChI%3D1S%2FC4H10N2O2%2Fc1-6%285-8%293-2-4-7%2Fh7H%2C2-4H2%2C1H3,1.6498361825943,0.199606567621231,6.7711386680603,16.0168704986572,0.26365539431572,0.173539713025093,3.13903212547302,0.486236304044724,15.9150247573853,5.23629856109619,0.627857744693756,0.136869177222252,3.08091640472412,11.9989995956421,0.535742223262787,1.38057839870453,-0.395675808191299,7.57283020019531,0.716687858104706
InChI%3D1S%2FC14H13N3O2S%2Fc1-19-13-7-9%2820%282%2918%293-4-10%2813%2914-16-11-5-6-15-8-12%2811%2917-14%2Fh3-8H%2C1-2H3%2C%28H%2C16%2C17%29,1.26090359687805,0.282018810510635,11.1036939620972,31.97483253479,0.220603421330452,0.157524526119232,11.2416658401489,0.332961857318878,115.129211425781,15.8476524353027,0.37586709856987,0.0700381547212601,5.33178615570068,11.9989995956421,0.552074670791626,3.49604630470276,-0.361334502696991,55.659366607666,1.10994029045105
InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2,1.28202140331268,0.309471637010574,9.04888343811035,15.996922492981,0.165484383702278,0.207053765654564,7.19109725952148,0.314429879188538,38.4053230285645,9.64002895355225,0.407175213098526,0.0885534361004829,5.37238645553589,11.8500003814697,0.560416281223297,1.5952742099762,-0.38378033041954,18.9723262786865,0.8536576628685
InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,1.42467844486237,0.370951473712921,10.9992933273315,31.9720726013184,0.118714570999146,0.105317510664463,11.9272193908691,0.339517831802368,60.9621467590332,14.4059801101685,0.496817737817764,0.0533501319587231,5.69485330581665,11.8500003814697,0.588342845439911,1.71019971370697,-0.30344232916832,30.8791160583496,0.768560945987701
InChI%3D1S%2FC20H22O3%2Fc1-20%282%2C19%2821%2922%2923-16-12-10-15%2811-13-16%2918-9-5-7-14-6-3-4-8-17%2814%2918%2Fh3-4%2C6%2C8%2C10-13%2C18H%2C5%2C7%2C9H2%2C1-2H3%2C%28H%2C21%2C22%29,1.35678017139435,0.322750687599182,11.1137247085571,16.0061473846436,0.145526304841042,0.361901521682739,14.057107925415,0.363050997257233,146.978256225586,18.4073657989502,0.376354873180389,0.0908061116933823,4.24600172042847,11.9884157180786,0.617374360561371,2.67875576019287,-0.333473980426788,65.6295776367188,1.67150115966797
InChI%3D1S%2FC26H36O6%2Fc1-4-5-6-22-31-21-12-18-17-8-7-15-11-16%2828%299-10-24%2815%2C2%2923%2817%2919%2829%2913-25%2818%2C3%2926%2821%2C32-22%2920%2830%2914-27%2Fh9-11%2C17-19%2C21-23%2C27%2C29H%2C4-8%2C12-14H2%2C1-3H3,1.29985880851746,0.148761481046677,13.1398372650146,16.0008125305176,0.371424674987793,0.193178728222847,8.98567581176758,0.397795110940933,190.665740966797,16.9004707336426,0.398214668035507,0.0968933701515198,4.6903076171875,11.9961252212524,0.50384908914566,6.27725172042847,-0.411722719669342,81.399055480957,1.6375435590744
InChI%3D1S%2FC9H12N2O2%2Fc1-2-13-8-5-3-7%284-6-8%2911-9%2810%2912%2Fh3-6H%2C2H2%2C1H3%2C%28H3%2C10%2C11%2C12%29,1.27108907699585,0.401586323976517,8.54283714294434,15.9982614517212,0.117184564471245,0.232839614152908,11.4273891448975,0.268625229597092,36.412410736084,13.1533479690552,0.461150884628296,0.0140336798503995,4.61833667755127,11.9962682723999,0.541312992572784,1.54136943817139,-0.357225894927979,20.0077304840088,0.184589877724648
InChI%3D1S%2FC7H9NO2S%2Fc1-6-4-2-3-5-7%286%2911%288%2C9%2910%2Fh2-5H%2C1H3%2C%28H2%2C8%2C9%2C10%29,1.39789628982544,0.158806651830673,11.1936283111572,31.9748306274414,0.37299120426178,0.322031021118164,3.79620885848999,0.330832868814468,26.1018371582031,6.96455526351929,0.517134666442871,0.0819332599639893,6.84830188751221,11.9989995956421,0.549928724765778,2.59771800041199,-0.290083706378937,13.5100383758545,0.570628762245178
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%29,1.28949248790741,0.331820279359818,8.88825702667236,15.9979238510132,0.224239602684975,0.283392518758774,7.61132860183716,0.292628884315491,26.5572357177734,9.81144237518311,0.471858412027359,1.33833850668452e-08,3.89729380607605,11.8500003814697,0.525005161762238,2.20011401176453,-0.358746975660324,16.7457904815674,1.31310315509836e-07
InChI%3D1S%2FC3H6O3S%2Fc4-7%285%293-1-2-6-7%2Fh1-3H2,1.85211992263794,0.127958714962006,8.31650638580322,31.9720706939697,0.335982948541641,0.267782419919968,1.91018354892731,0.51004683971405,9.6308650970459,3.79046082496643,0.723290383815765,0.160072103142738,5.98199987411499,11.9970207214355,0.618782758712769,1.27353024482727,-0.297142624855042,4.36438512802124,0.606747031211853
InChI%3D1S%2FCHBr3%2Fc2-1%283%294%2Fh1H,1.2457560300827,0.0195721369236708,11.954273223877,78.9204025268555,0.359395980834961,0.243977874517441,0.803498089313507,0.445801317691803,4.29684448242188,2.23548173904419,0.399955093860626,0.281174510717392,8.25382423400879,11.9998188018799,0.399999648332596,0.80342310667038,-0.134466677904129,1.65559613704681,0.628560483455658
InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3,1.39205515384674,0.16528682410717,8.05840015411377,15.9959192276001,0.41561958193779,0.16107976436615,3.326500415802,0.240562066435814,16.9163475036621,6.00759553909302,0.567958474159241,0.0306646525859833,3.64778113365173,11.8900003433228,0.58353465795517,2.49687433242798,-0.137175694108009,9.37864017486572,0.184220835566521
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,1.68860602378845,0.175429627299309,6.16526651382446,14.0030765533447,0.432760506868362,0.145878687500954,2.14247751235962,0.529670774936676,7.27900409698486,3.777024269104,0.588789463043213,3.66515734429029e-10,5.71635961532593,11.8500003814697,0.570145785808563,1.63454687595367,-0.264029264450073,3.50197982788086,1.38433886576195e-09
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,1.20792400836945,0.140863060951233,9.03900241851807,34.9710578918457,0.270052284002304,0.114917285740376,1.79455101490021,0.336266696453094,8.27084922790527,3.443439245224,0.292352288961411,0.208796977996826,5.65861177444458,11.9986352920532,0.579305052757263,0.929908633232117,-0.213589757680893,3.62759971618652,0.718979716300964
InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2,1.70620167255402,0.157914578914642,8.54524803161621,78.91943359375,0.30264338850975,0.0982715487480164,1.41951978206635,0.5,5.06532096862793,2.6099579334259,0.799145817756653,0.153470501303673,6.54528713226318,11.9989070892334,0.407055795192719,0.78988653421402,-0.192232117056847,2.00624060630798,0.400551557540894
InChI%3D1S%2FC7H11N5O2%2Fc1-8-7%2813%295-6%2812%283%2910-14%299-4-11%285%292%2Fh4H%2C1-3H3%2C%28H%2C8%2C13%29,1.36222279071808,0.132925391197205,10.0260066986084,16.0168743133545,0.275762915611267,0.174828320741653,4.00150775909424,0.365804702043533,41.2884407043457,7.83737754821777,0.491338819265366,0.213669911026955,3.43913173675537,11.9989995956421,0.50507926940918,2.16125798225403,-0.347060590982437,18.9685306549072,1.67461180686951
InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H,1.57339382171631,0.338583767414093,9.02811431884766,15.9949188232422,0.186718925833702,0.107915632426739,9.1268835067749,0.449609130620956,41.7640762329102,11.6298875808716,0.568137586116791,0.0285027343779802,3.40496802330017,11.8500003814697,0.555647015571594,2.17151999473572,-0.258832335472107,23.5644454956055,0.331483572721481
InChI%3D1S%2FC11H12N2O%2Fc1-9-8-11%2814%2913%2812%289%292%2910-6-4-3-5-7-10%2Fh3-8H%2C1-2H3,1.408735871315,0.26366052031517,9.92282199859619,15.9949188232422,0.172804221510887,0.222497880458832,6.72786617279053,0.383636921644211,48.9894371032715,9.82341384887695,0.49546480178833,0.142315089702606,4.99629163742065,11.9934062957764,0.529634118080139,1.69752740859985,-0.278646886348724,23.1996059417725,1.39802002906799
InChI%3D1S%2FC4H9N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C8%29,1.31547570228577,0.259133040904999,7.39013242721558,15.9982604980469,0.183600172400475,0.253977745771408,4.30272674560547,0.453064680099487,20.4770908355713,6.33831357955933,0.28373458981514,0.137555778026581,3.29502773284912,11.9964609146118,0.578676462173462,1.16371548175812,-0.355055600404739,9.77318572998047,0.871871709823608
InChI%3D1S%2FC4H9N5O3%2Fc1-2-3-8%287-10%294%285%296-9%2811%2912%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C6%29,1.50236535072327,0.19732429087162,7.97563409805298,16.0169334411621,0.295184344053268,0.237175405025482,4.32249927520752,0.503825008869171,28.8332538604736,7.24725770950317,0.411678820848465,0.108383268117905,3.21959161758423,11.9989995956421,0.586861550807953,2.13927698135376,-0.275765091180801,14.3226299285889,0.785481512546539
InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,1.15413582324982,0.269167751073837,8.20251178741455,15.9949169158936,0.288088828325272,0.0929321274161339,5.71408843994141,0.212592199444771,25.3666877746582,8.2546854019165,0.424224644899368,0.0196875017136335,4.83613586425781,11.9934787750244,0.517319023609161,2.37808275222778,-0.347108125686646,14.9036674499512,0.162514135241508
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%29,1.30291771888733,0.321448922157288,9.25635623931885,31.972677230835,0.190839037299156,0.224180117249489,7.06684923171997,0.312005192041397,31.1335372924805,9.27490901947021,0.416569530963898,0.0472290441393852,5.03663396835327,11.9984836578369,0.574342966079712,1.77001476287842,-0.344624102115631,16.379373550415,0.438045114278793
InChI%3D1S%2FC9H10O2%2Fc1-2-4-8%285-3-1%2910-6-9-7-11-9%2Fh1-5%2C9H%2C6-7H2,1.24607753753662,0.362386077642441,7.82463312149048,15.9977855682373,0.147013425827026,0.10557546466589,7.94384002685547,0.235911905765533,28.4487857818604,9.72896003723145,0.420768707990646,0.0364718064665794,4.68258380889893,11.9967565536499,0.589396893978119,1.43028771877289,-0.391406029462814,14.6882238388062,0.354832738637924
InChI%3D1S%2FC8H10O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-7%2C9H%2C1H3,1.25024664402008,0.244260549545288,8.36488056182861,15.9949169158936,0.232065081596375,0.0912720337510109,4.23533010482788,0.258786797523499,21.1739826202393,6.42676734924316,0.42731237411499,0.108920849859715,4.90233945846558,11.8500003814697,0.564147531986237,1.49142837524414,-0.38811782002449,10.3254737854004,0.700008988380432
InChI%3D1S%2FC16H12N2O%2Fc19-15-11-10-12-6-4-5-9-14%2812%2916%2815%2918-17-13-7-2-1-3-8-13%2Fh1-11%2C17H,1.43133461475372,0.218277797102928,10.3322916030884,15.9949197769165,0.229039460420609,0.205900654196739,7.61908435821533,0.499202042818069,90.2188110351562,12.2028274536133,0.384360015392303,0.146590143442154,5.22161436080933,11.8500003814697,0.547772526741028,2.79492926597595,-0.286612659692764,39.9235382080078,1.78881430625916
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%29,1.53985333442688,0.272352665662766,11.7244691848755,34.9688529968262,0.168646797537804,0.145626917481422,12.4208650588989,0.443763732910156,182.169021606445,17.8340225219727,0.536356866359711,0.134882971644402,3.98049855232239,11.8900003433228,0.559732794761658,3.00765085220337,-0.393923997879028,74.4710159301758,2.40550589561462
InChI%3D1S%2FC3H9O3P%2Fc1-5-7%283%2C4%296-2%2Fh1-3H3,1.42275977134705,0.156866565346718,5.07700490951538,30.973762512207,0.345607846975327,0.313103824853897,3.01024341583252,0.357034206390381,17.9665851593018,5.54895114898682,0.5114666223526,0.11190339922905,2.7684953212738,11.9965486526489,0.554258942604065,1.91776096820831,-0.340440779924393,8.83295440673828,0.62094646692276
InChI%3D1S%2FC7H6N6O3%2Fc8-6-10-5%2811-7%289%2912-6%293-1-2-4%2816-3%2913%2814%2915%2Fh1-2H%2C%28H4%2C8%2C9%2C10%2C11%2C12%29,,,9.48600769042969,16.0169353485107,,0.277953714132309,,,,,,,3.398029088974,11.9989995956421,,,-0.331780552864075,,
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,1.1469920873642,0.0446023270487785,9.64176177978516,78.9185180664062,0.381421267986298,0.27433830499649,0.834335446357727,0.403909802436829,3.91279029846191,2.12405514717102,0.400000005960464,0.225775614380836,6.52099990844727,11.9998188018799,0.343082278966904,0.810159802436829,-0.125714510679245,1.46457898616791,0.479559868574142
InChI%3D1S%2FC17H12O6%2Fc1-20-10-6-11-14%288-4-5-21-17%288%2922-11%2915-13%2810%297-2-3-9%2818%2912%287%2916%2819%2923-15%2Fh4-6%2C8%2C17H%2C2-3H2%2C1H3,1.27580142021179,0.214067816734314,11.0983476638794,15.9999399185181,0.316098719835281,0.277479946613312,8.40299129486084,0.375383883714676,92.7966232299805,13.5804357528687,0.381728142499924,0.0651441887021065,4.87101793289185,11.8999996185303,0.518689334392548,4.29275846481323,-0.348673939704895,47.303768157959,0.884686470031738
InChI%3D1S%2FC15H18N4O5%2Fc1-5-9%2816%2912%2821%298-6%284-24-14%2817%2922%2915%2823-2%2913-7%2818-13%293-19%2815%2910%288%2911%285%2920%2Fh6-7%2C13%2C18H%2C3-4%2C16H2%2C1-2H3%2C%28H2%2C17%2C22%29,1.40272831916809,0.179872587323189,12.0779237747192,15.9989433288574,0.236669480800629,0.275514304637909,7.26291227340698,0.391898512840271,111.668525695801,12.6716251373291,0.509858429431915,0.190167084336281,4.43083429336548,11.9943437576294,0.500971436500549,2.9989869594574,-0.360628366470337,46.5097465515137,2.40972590446472
InChI%3D1S%2FC11H24N2O%2Fc1-3-4-5-6-7-8-9-10-11-13%282%2912-14%2Fh3-11H2%2C1-2H3,1.63692855834961,0.110966876149178,7.55788135528564,16.0168190002441,0.432500183582306,0.173591181635857,4.66477727890015,0.541989266872406,52.9860496520996,9.69225406646729,0.542175948619843,0.0862106382846832,3.14517140388489,11.9989995956421,0.552763283252716,4.19190168380737,-0.275304734706879,26.9547119140625,0.835575461387634
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,1.1853734254837,0.0434786640107632,8.48476219177246,34.9710578918457,0.391280770301819,0.286561369895935,0.80983954668045,0.38537535071373,3.74923419952393,2.06958723068237,0.399998277425766,0.217414334416389,5.93843698501587,11.9994735717773,0.39999982714653,0.809789657592773,-0.14991594851017,1.38456475734711,0.44995790719986
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,1.55728542804718,0.230546772480011,7.11350584030151,14.0082683563232,0.23797918856144,0.0551623143255711,2.82002735137939,0.368219345808029,10.9964208602905,4.40127944946289,0.601470232009888,0.121291793882847,5.49149465560913,11.9946517944336,0.587595820426941,1.04741287231445,-0.330045133829117,5.01832342147827,0.533839046955109
InChI%3D1S%2FC34H28N6O16S4%2Fc1-55-25-9-15%283-5-23%2825%2937-39-31-27%2859%2849%2C50%2951%2911-17-7-19%2857%2843%2C44%2945%2913-21%2835%2929%2817%2933%2831%2941%2916-4-6-24%2826%2810-16%2956-2%2938-40-32-28%2860%2852%2C53%2954%2912-18-8-20%2858%2846%2C47%2948%2914-22%2836%2930%2818%2934%2832%2942%2Fh3-14%2C37-38H%2C35-36H2%2C1-2H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29,1.30264949798584,0.424237012863159,12.9455842971802,31.9750823974609,0.0772186890244484,0.30017551779747,65.6888732910156,0.300532579421997,1212.29064941406,73.0702285766602,0.447686582803726,0.0237986091524363,5.21805763244629,11.9961042404175,0.554430305957794,5.64238739013672,-0.375984042882919,494.684997558594,1.73896992206573
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,1.30560612678528,0.0804937183856964,11.6940746307373,34.9739570617676,0.408920705318451,0.146525427699089,2.32553482055664,0.385026723146439,17.8391609191895,5.27741050720215,0.487662315368652,0.150421008467674,7.54407739639282,11.9985628128052,0.432917088270187,2.15804243087769,-0.204267740249634,8.57781600952148,0.793833434581757
InChI%3D1S%2FC4H8N2OS%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2,1.46909320354462,0.119928389787674,8.45062732696533,31.9720706939697,0.344587475061417,0.121190242469311,2.24963212013245,0.38629212975502,13.5382518768311,4.56094741821289,0.462610214948654,0.16217465698719,3.32324814796448,11.8999996185303,0.620190858840942,1.57164549827576,-0.16166678071022,6.36210870742798,0.739670097827911
InChI%3D1S%2FC37H30N4O10S3%2Fc1-22-4-13-30%2814-5-22%2954%2849%2C50%2951-29-11-9-28%2810-12-29%2938-39-32-15-6-25%2818-23%2832%292%2926-7-16-33%2824%283%2919-26%2940-41-37-34%2842%2917-8-27-20-31%2852%2843%2C44%2945%2921-35%2836%2827%2937%2953%2846%2C47%2948%2Fh4-21%2C40H%2C1-3H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29,1.23806142807007,0.460658371448517,13.3356523513794,31.9740791320801,0.030414953827858,0.302706837654114,83.8843002319336,0.341971933841705,924.031921386719,88.5280838012695,0.344271838665009,0.0220405478030443,5.56814384460449,11.8500003814697,0.551817655563354,2.69257760047913,-0.286956012248993,394.794403076172,1.951207280159
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,2.00802421569824,0.17603911459446,9.79723739624023,34.9720077514648,0.431947857141495,0.246189966797829,1.76284956932068,0.558023631572723,5.46637678146362,3.10332345962524,0.666666686534882,1.33258529211311e-10,6.75458335876465,11.998706817627,0.783333957195282,1.34047377109528,-0.140288695693016,2.36305356025696,4.13544309907365e-10
InChI%3D1S%2FC4H10N2O%2Fc1-3-6%284-2%295-7%2Fh3-4H2%2C1-2H3,1.31356680393219,0.227668821811676,6.89650535583496,16.0168151855469,0.227544471621513,0.173698246479034,3.29294657707214,0.466522425413132,14.8924961090088,5.17033958435059,0.295381605625153,0.135563775897026,3.14579558372498,11.9989995956421,0.551662802696228,1.17648220062256,-0.275216341018677,7.00676298141479,0.700910687446594
InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3,1.29303562641144,0.190962299704552,7.69288969039917,15.9989643096924,0.314300179481506,0.260687798261642,5.31444692611694,0.403997629880905,44.6827392578125,9.03894710540771,0.429451078176498,0.0977500900626183,3.8557140827179,11.9967775344849,0.459586918354034,2.84094285964966,-0.349194437265396,22.3037986755371,0.883557975292206
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-7%282%298%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,1.23585772514343,0.264749437570572,8.31507873535156,14.0030784606934,0.291238456964493,0.139932289719582,5.02514362335205,0.213071659207344,20.9722785949707,7.32173252105713,0.458168506622314,0.022428972646594,5.87873315811157,11.8500003814697,0.564617574214935,2.13236999511719,-0.302245378494263,11.8908643722534,0.164218932390213
InChI%3D1S%2FC12Br10O%2Fc13-1-3%2815%297%2819%2911%288%2820%294%281%2916%2923-12-9%2821%295%2817%292%2814%296%2818%2910%2812%2922,1.36671733856201,0.304758071899414,14.6164236068726,78.927360534668,0.144766464829445,0.155495092272758,9.4640007019043,0.436597466468811,72.9736709594727,12.7947673797607,0.4289510846138,0.115556113421917,9.58401584625244,11.9988374710083,0.501168727874756,1.85225319862366,-0.302632331848145,34.2609634399414,1.47851359844208
InChI%3D1S%2FC5H11N3O3%2Fc1-2-6-5%2810%298%287-11%293-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29,1.49364233016968,0.240705356001854,7.66494607925415,16.0169315338135,0.22234782576561,0.236371263861656,5.14355278015137,0.479874104261398,32.2571563720703,7.86146831512451,0.459923505783081,0.123378358781338,3.34048342704773,11.9989995956421,0.553844749927521,1.74798035621643,-0.394360452890396,15.6751689910889,0.969935059547424
InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2,1.97652328014374,0.228879481554031,6.16513395309448,34.9701538085938,0.216245055198669,0.186238631606102,1.98285531997681,0.750482261180878,6.23495721817017,3.10546088218689,0.498905897140503,0.145248964428902,4.77278184890747,11.998706817627,0.727135062217712,0.671540558338165,-0.337501972913742,2.52887272834778,0.451064944267273
InChI%3D1S%2FC5H12N2O4%2Fc8-2-1-7%286-11%293-5%2810%294-9%2Fh5%2C8-10H%2C1-4H2,1.47394120693207,0.213096022605896,7.5049524307251,16.016996383667,0.261893749237061,0.173885747790337,4.08507251739502,0.556346654891968,23.9871196746826,6.61591625213623,0.3868268430233,0.120644874870777,3.29998850822449,11.9989995956421,0.530767738819122,1.7326672077179,-0.394912630319595,11.7216539382935,0.798176348209381
InChI%3D1S%2FC6H10N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-4H%2C1-2%2C5-6H2,1.21921825408936,0.315155029296875,7.69400882720947,16.0168170928955,0.148495808243752,0.174141317605972,5.51359987258911,0.504362344741821,22.3327178955078,7.31693029403687,0.248732268810272,0.0979641452431679,3.34783816337585,11.9989995956421,0.466123551130295,1.08653342723846,-0.275003045797348,10.7216653823853,0.716796815395355
InChI%3D1S%2FC11H9BrO4%2Fc1-16-8-4-2-7%283-5-8%2911%2815%299%2812%296-10%2813%2914%2Fh2-6H%2C1H3%2C%28H%2C13%2C14%29,1.38271009922028,0.313152492046356,10.8838262557983,78.9183349609375,0.140171870589256,0.304283171892166,9.17261791229248,0.381722897291183,63.3168258666992,12.2159872055054,0.43996524810791,0.108958147466183,4.26273488998413,11.9962329864502,0.561022043228149,1.71233773231506,-0.349045783281326,30.1948375701904,1.33103132247925
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,1.18113088607788,0.273408651351929,7.11486625671387,34.9701538085938,0.220128625631332,0.087548516690731,2.37828516960144,0.24921777844429,6.56468963623047,3.40787982940674,0.434583276510239,0.0819931551814079,5.25948715209961,11.9986352920532,0.497329831123352,0.750171899795532,-0.1925930082798,2.65828490257263,0.27942281961441
InChI%3D1S%2FC3H8N2O2%2Fc1-5%284-7%292-3-6%2Fh6H%2C2-3H2%2C1H3,1.47883081436157,0.160943150520325,6.38538599014282,16.0168704986572,0.30136576294899,0.173584669828415,2.43264412879944,0.485961526632309,12.3954410552979,4.43974590301514,0.428078413009644,0.150710016489029,3.01596093177795,11.9989995956421,0.564790844917297,1.33798742294312,-0.394351631402969,5.77783060073853,0.669114172458649
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,1.24898684024811,0.164140164852142,8.39773941040039,34.970157623291,0.316394746303558,0.457887351512909,4.14413452148438,0.370052397251129,33.4800148010254,7.50494956970215,0.429210275411606,0.131418362259865,3.13474416732788,11.9985990524292,0.449724227190018,2.3745265007019,-0.287472993135452,16.2696361541748,0.986288189888
InChI%3D1S%2FC5H10N2O3%2Fc8-4-3-6-2-1-5%289%297-10%2Fh6%2C8H%2C1-4H2,1.51366829872131,0.295122861862183,6.88895463943481,16.0169315338135,0.17516365647316,0.287198930978775,5.52696800231934,0.480988472700119,25.5641345977783,7.60420513153076,0.408222883939743,0.0980058684945107,2.96630382537842,11.9989995956421,0.624456942081451,1.33198034763336,-0.394452631473541,12.4734897613525,0.745256721973419
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,1.60664689540863,0.10699699819088,6.53172636032104,34.9701538085938,0.335639655590057,0.185354650020599,0.808174252510071,0.400000005960464,2.74642562866211,1.69785928726196,0.806646883487701,0.18836435675621,4.95766448974609,11.9994735717773,0.400000005960464,0.569868922233582,-0.18513411283493,0.901273846626282,0.319816172122955
InChI%3D1S%2FC9H11ClN2O%2Fc1-12%282%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29,1.50292789936066,0.355572611093521,8.87401103973389,34.9688529968262,0.151296019554138,0.278573483228683,9.00760173797607,0.346589893102646,38.2843170166016,11.1558895111084,0.569000244140625,0.0412738174200058,4.76735353469849,11.8500003814697,0.587337791919708,1.68784165382385,-0.261067926883698,20.128080368042,0.460446149110794
InChI%3D1S%2FC4H5N3O3%2Fc8-3-1-2-7%286-10%294%289%295-3%2Fh1-2H2%2C%28H%2C5%2C8%2C9%29,1.03883194923401,0.225830540060997,7.13620710372925,16.0061435699463,0.310250103473663,0.413053452968597,3.20343828201294,0.162332937121391,12.8010444641113,5.049232006073,0.435333579778671,0.0553091652691364,3.23154306411743,11.9887866973877,0.44116547703743,1.56652474403381,-0.347872674465179,6.35036754608154,0.279268801212311
InChI%3D1S%2FC4H10N2O2%2Fc1-4%287%293-6%282%295-8%2Fh4%2C7H%2C3H2%2C1-2H3,1.35585522651672,0.159290939569473,6.88876247406006,16.0168704986572,0.282215654850006,0.173602670431137,2.72741460800171,0.431809455156326,15.7111692428589,4.99781608581543,0.375390261411667,0.172063082456589,3.09585380554199,11.9989995956421,0.54865550994873,1.4104620218277,-0.391398727893829,7.40523862838745,0.859939634799957
InChI%3D1S%2FC16H12N2O4%2Fc1-21-15-7-11%283-5-13%2815%2917-9-19%2912-4-6-14%2818-10-20%2916%288-12%2922-2%2Fh3-8H%2C1-2H3,1.39779567718506,0.306942492723465,10.0957374572754,15.9992961883545,0.213628813624382,0.338548570871353,11.9061012268066,0.39797255396843,96.2011260986328,16.0332107543945,0.520171701908112,0.0437812097370625,3.39343595504761,11.9961776733398,0.479651421308517,3.42515563964844,-0.375430852174759,51.5420799255371,0.70195335149765
InChI%3D1S%2FC8H12F6N2O%2Fc9-7%2810%2C11%293-1-5-16%2815-17%296-2-4-8%2812%2C13%2914%2Fh1-6H2,1.37574303150177,0.283650606870651,7.80551290512085,19.0038166046143,0.19711109995842,0.410350888967514,7.31936025619507,0.43798753619194,47.8580856323242,10.2867307662964,0.390045791864395,0.0913547351956367,3.11112141609192,11.9974756240845,0.54770964384079,2.02762889862061,-0.191950872540474,23.6247005462646,0.939741551876068
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%2C1H3,1.33752191066742,0.269370019435883,11.2287511825562,15.9959259033203,0.235812529921532,0.234621196985245,12.5685205459595,0.464991718530655,163.861221313477,18.1496620178223,0.386124819517136,0.0716941133141518,5.30177450180054,11.8500003814697,0.486405342817307,4.27991771697998,-0.27872297167778,75.7158203125,1.30122399330139
InChI%3D1S%2FC4H9NO2%2Fc1-3-4%282%295%286%297%2Fh4H%2C3H2%2C1-2H3,1.42297089099884,0.174665570259094,6.85875415802002,16.0168704986572,0.292503654956818,0.170593649148941,2.46469259262085,0.403709203004837,11.7194871902466,4.35288286209106,0.50475400686264,0.141275599598885,3.30446767807007,11.9989995956421,0.514507710933685,1.27323412895203,-0.277828246355057,5.43679141998291,0.614956080913544
InChI%3D1S%2FC7H15N3O%2Fc1-6-4-10%288-11%295-7%282%299%286%293%2Fh6-7H%2C4-5H2%2C1-3H3,1.53509533405304,0.0730303302407265,8.77504348754883,16.0168170928955,0.411337792873383,0.173829406499863,2.78102850914001,0.489195227622986,26.9216690063477,6.45689058303833,0.542945504188538,0.15795511007309,3.37713432312012,11.9989995956421,0.502954542636871,2.65596294403076,-0.297927230596542,12.931489944458,1.01989877223969
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%29,1.48911309242249,0.258192300796509,9.42023468017578,16.0,0.21638385951519,0.17237862944603,6.45341920852661,0.432909965515137,44.851375579834,9.52408123016357,0.536952495574951,0.106026411056519,4.30835771560669,11.9962921142578,0.519250690937042,2.06085729598999,-0.408791244029999,21.8973274230957,1.00980412960052
InChI%3D1S%2FC10H14N2O2%2Fc1-8%2812%282%2911-14%2910%2813%299-6-4-3-5-7-9%2Fh3-8%2C10%2C13H%2C1-2H3,1.3524158000946,0.294465005397797,9.21814155578613,16.0168724060059,0.178447335958481,0.17385445535183,7.01058053970337,0.337600886821747,40.9548835754395,9.65706825256348,0.50173419713974,0.0955993309617043,3.37545418739319,11.9989995956421,0.513080775737762,1.7232780456543,-0.386182099580765,20.1443576812744,0.923209249973297
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,,,9.94519424438477,16.0016937255859,,0.27817490696907,,,,,,,3.41343760490417,11.9937677383423,,,-0.401569694280624,,
InChI%3D1S%2FC6H10N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3H%2C1%2C4-5H2%2C2H3,1.50427913665771,0.223144456744194,7.69013404846191,16.0168724060059,0.259022772312164,0.17405204474926,4.46516466140747,0.477572113275528,26.5534954071045,7.07790946960449,0.439668029546738,0.110117964446545,3.34685683250427,11.9989995956421,0.587038934230804,1.83333969116211,-0.2979995906353,13.0952491760254,0.779404997825623
InChI%3D1S%2FC4H6O2%2Fc1-3-2-4%285%296-3%2Fh3H%2C2H2%2C1H3,1.38253235816956,0.220533981919289,6.01651000976562,15.9977836608887,0.217338427901268,0.281163245439529,2.23095321655273,0.317657321691513,7.89092588424683,3.55599164962769,0.533036649227142,0.155282914638519,3.4194347858429,11.9969358444214,0.531838417053223,0.772853672504425,-0.328829765319824,3.38285684585571,0.552184760570526
InChI%3D1S%2FC9H10N4O3S%2Fc1-12%282%2911-9-10-6%285-17-9%297-3-4-8%2816-7%2913%2814%2915%2Fh3-5H%2C1-2H3%2C%28H%2C10%2C11%29,,,10.4583520889282,31.9720726013184,,0.277926117181778,,,,,,,3.41429138183594,11.9989995956421,,,-0.332739949226379,,
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,1.21448516845703,0.0881593823432922,13.1256303787231,15.9979343414307,0.407802909612656,0.295191198587418,6.24490833282471,0.396418571472168,141.443069458008,13.850513458252,0.444055050611496,0.141317918896675,4.90078210830688,11.8500003814697,0.374011605978012,5.64827966690063,-0.361399173736572,58.551830291748,1.95732581615448
InChI%3D1S%2FC18H14N4O7S%2Fc23-21%2824%2914-7-9-15%2817%2811-14%2922%2825%2926%2920-13-6-8-16%2818%2810-13%2930%2827%2C28%2929%2919-12-4-2-1-3-5-12%2Fh1-11%2C19-20H%2C%28H%2C27%2C28%2C29%29,1.2735835313797,0.377434641122818,,,0.115725338459015,,18.5654811859131,0.308166712522507,142.707855224609,22.1921291351318,0.474727094173431,0.0476951524615288,,,0.490689784288406,2.56819152832031,,70.0487976074219,1.05845701694489
InChI%3D1S%2FC4H5NS%2Fc1-2-3-5-4-6%2Fh2H%2C1%2C3H2,1.40523767471313,0.259878247976303,7.3533353805542,31.9742794036865,0.226824015378952,0.278419822454453,3.07203078269958,0.40922549366951,10.7235584259033,4.51877117156982,0.550358355045319,0.0933383107185364,5.09762191772461,11.9971828460693,0.445653885602951,1.02496576309204,-0.270213574171066,4.87673473358154,0.421774446964264
InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2,1.50971555709839,0.21355152130127,3.97737240791321,15.9974164962769,0.253047406673431,0.0920329913496971,1.14864563941956,0.207971587777138,2.91577672958374,1.85844337940216,0.571428596973419,0.128883898258209,3.54168629646301,11.997163772583,0.730315387248993,0.470274329185486,-0.397339552640915,0.927947819232941,0.23952342569828
InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2,1.20606410503387,0.132671147584915,6.59544563293457,34.9710578918457,0.418697834014893,0.4540795981884,5.81658411026001,0.312369823455811,70.2385940551758,11.3999662399292,0.436276823282242,0.071073979139328,3.52768158912659,11.9985628128052,0.457417458295822,4.7731409072876,-0.282609671354294,36.3436050415039,0.810240924358368
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%29,1.36987388134003,0.327577978372574,10.1447868347168,31.9720726013184,0.16755622625351,0.228400766849518,9.40492725372314,0.316939204931259,54.8277359008789,12.2125415802002,0.461856544017792,0.0623398050665855,3.9799542427063,11.9989995956421,0.591078102588654,2.04628753662109,-0.335782408714294,27.9633083343506,0.761327505111694
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%2C5-8H2,1.29277086257935,0.345022767782211,8.2209587097168,15.9989681243896,0.175606042146683,0.107248842716217,12.8925876617432,0.330359280109406,79.5346221923828,16.2505378723145,0.394368231296539,0.0310302451252937,4.70726680755615,11.996711730957,0.568043351173401,2.85369277000427,-0.391443938016891,44.7316780090332,0.504258215427399
InChI%3D1S%2FC7H8N2O3%2Fc1-12-7-3-2-5%289%2810%2911%294-6%287%298%2Fh2-4H%2C8H2%2C1H3,1.04635751247406,0.256976544857025,8.158766746521,16.0169315338135,0.313313722610474,0.175470590591431,5.48310899734497,0.115307100117207,23.955530166626,8.11148357391357,0.448160439729691,0.0107175651937723,3.57327485084534,11.9989995956421,0.482889980077744,2.54143905639648,-0.372166901826859,14.6326036453247,0.0869353488087654
InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2,1.30031108856201,0.219981253147125,7.33338356018066,14.003077507019,0.371585637331009,0.0978959873318672,3.11506819725037,0.275500684976578,10.8195495605469,4.97105169296265,0.494470834732056,0.00177269522100687,5.40718269348145,11.8500003814697,0.530339598655701,1.84717130661011,-0.302463263273239,5.79779243469238,0.00881215929985046
InChI%3D1S%2FC7H6N2O4%2Fc1-5-6%288%2810%2911%293-2-4-7%285%299%2812%2913%2Fh2-4H%2C1H3,1.3209924697876,0.142371401190758,8.60916996002197,15.9979257583618,0.439689606428146,0.164609462022781,3.56127119064331,0.34985163807869,21.8191890716553,6.80720710754395,0.498804271221161,0.0371485240757465,3.71671867370605,11.8900003433228,0.472336620092392,2.99305820465088,-0.132685780525208,12.316535949707,0.252877682447433