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

SMILES,nHBDon,nB,nAtom,ALogP,nRotB,MLogP,XLogP,naAromAtom,nAromBond,AMR,nAtomLC,LipinskiFailures,nAtomLAC,nAtomP,ALogp2
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,0.0,11.0,18.0,1.94780004024506,0.0,2.55999994277954,3.22399997711182,10.0,11.0,49.1528015136719,0.0,0.0,0.0,10.0,3.7939248085022
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%29,1.0,18.0,24.0,0.318199992179871,3.0,1.57000005245209,1.75300002098083,10.0,10.0,26.1991996765137,4.0,0.0,2.0,16.0,0.101251237094402
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%29,2.0,21.0,35.0,-0.83380001783371,5.0,1.67999994754791,2.2260000705719,5.0,5.0,49.9392013549805,5.0,0.0,2.0,10.0,0.695222437381744
InChI%3D1S%2FC12H5Cl5%2Fc13-8-3-1-2-6%2810%288%2915%297-4-5-9%2814%2912%2817%2911%287%2916%2Fh1-5H,0.0,18.0,22.0,4.25909996032715,1.0,2.23000001907349,4.27099990844727,12.0,12.0,83.0523986816406,0.0,0.0,0.0,12.0,18.1399326324463
InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2,1.0,5.0,11.0,-0.641600012779236,1.0,1.57000005245209,-0.861999988555908,0.0,0.0,17.0060005187988,2.0,0.0,0.0,0.0,0.411650568246841
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%29,2.0,18.0,29.0,0.0842000022530556,2.0,2.23000001907349,2.11100006103516,6.0,6.0,64.2021026611328,2.0,0.0,2.0,8.0,0.00708964001387358
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%29,1.0,19.0,26.0,-0.639100015163422,4.0,1.46000003814697,1.18900001049042,5.0,10.0,24.550199508667,5.0,0.0,2.0,8.0,0.408448815345764
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%29,2.0,13.0,25.0,-0.816699981689453,2.0,1.78999996185303,1.42299997806549,0.0,0.0,44.8168983459473,2.0,0.0,2.0,8.0,0.666998863220215
InChI%3D1S%2FC4H9N3O%2Fc8-6-7-3-1-5-2-4-7%2Fh5H%2C1-4H2,1.0,8.0,17.0,-0.487800002098083,1.0,1.46000003814697,-0.642000019550323,0.0,0.0,30.8059005737305,2.0,0.0,0.0,3.0,0.237948834896088
InChI%3D1S%2FC6H7ClN2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H%2C8-9H2,2.0,9.0,16.0,-0.621299982070923,0.0,1.78999996185303,0.409000009298325,6.0,6.0,42.771598815918,0.0,0.0,0.0,8.0,0.386013686656952
InChI%3D1S%2FC9H12N2O%2Fc1-11%2810-12%298-7-9-5-3-2-4-6-9%2Fh2-6H%2C7-8H2%2C1H3,0.0,12.0,24.0,1.46350002288818,4.0,2.11999988555908,1.39699995517731,6.0,6.0,53.2535018920898,6.0,0.0,2.0,6.0,2.14183235168457
InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2,0.0,19.0,27.0,2.72370004653931,3.0,1.67999994754791,2.76999998092651,0.0,0.0,77.7978973388672,7.0,0.0,2.0,5.0,7.41854190826416
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%2C15-18H2,4.0,22.0,32.0,-3.28999996185303,0.0,2.33999991416931,-1.60000002384186,12.0,12.0,81.9224014282227,0.0,0.0,0.0,20.0,10.8240995407104
InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3,1.0,10.0,21.0,0.757499992847443,2.0,1.67999994754791,0.722000002861023,0.0,0.0,45.0453987121582,3.0,0.0,2.0,0.0,0.57380622625351
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%2C1H3,1.0,20.0,31.0,0.948599994182587,2.0,2.77999997138977,1.75199997425079,12.0,12.0,76.3904037475586,5.0,0.0,2.0,16.0,0.899841964244843
InChI%3D1S%2FC24H38O4%2Fc1-5-9-13-19%287-3%2917-27-23%2825%2921-15-11-12-16-22%2821%2924%2826%2928-18-20%288-4%2914-10-6-2%2Fh11-12%2C15-16%2C19-20H%2C5-10%2C13-14%2C17-18H2%2C1-4H3,0.0,28.0,66.0,-0.770600020885468,16.0,3.66000008583069,7.65399980545044,6.0,6.0,106.09700012207,11.0,2.0,7.0,12.0,0.59382438659668
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%29,4.0,15.0,28.0,-0.155000001192093,2.0,1.89999997615814,-0.528999984264374,6.0,6.0,64.4610977172852,2.0,0.0,0.0,7.0,0.0240250006318092
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%29,2.0,26.0,45.0,0.228000000119209,5.0,2.55999994277954,-0.0810000002384186,12.0,12.0,102.843399047852,3.0,0.0,0.0,9.0,0.0519840009510517
InChI%3D1S%2FCH2ClF%2Fc2-1-3%2Fh1H2,0.0,2.0,5.0,0.774999976158142,0.0,1.35000002384186,1.38199996948242,0.0,0.0,11.5198001861572,3.0,0.0,0.0,0.0,0.600624978542328
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%2C2H3,2.0,25.0,46.0,1.51349997520447,0.0,3.44000005722046,3.49300003051758,6.0,6.0,88.3620986938477,2.0,0.0,2.0,7.0,2.29068231582642
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,1.0,7.0,8.0,3.37639999389648,1.0,1.01999998092651,3.88199996948242,0.0,0.0,41.8779983520508,8.0,0.0,2.0,0.0,11.4000768661499
InChI%3D1S%2FC5H10N2O3%2Fc1-7%286-10%294-2-3-5%288%299%2Fh2-4H2%2C1H3%2C%28H%2C8%2C9%29,1.0,9.0,20.0,-0.492900013923645,5.0,1.46000003814697,-0.377000004053116,0.0,0.0,33.7461013793945,10.0,0.0,4.0,3.0,0.242950409650803
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H,2.0,8.0,14.0,0.277200013399124,0.0,1.89999997615814,1.08299994468689,6.0,6.0,34.1668014526367,0.0,0.0,0.0,8.0,0.076839841902256
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%2C1-5H3,2.0,28.0,58.0,0.471199989318848,9.0,2.89000010490417,0.90499997138977,0.0,0.0,99.7536010742188,12.0,0.0,5.0,5.0,0.222029432654381
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%2C1-2H3,0.0,22.0,35.0,1.29530000686646,3.0,3.0,2.67700004577637,12.0,12.0,84.1917037963867,7.0,0.0,2.0,17.0,1.67780208587646
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,2.0,14.0,23.0,1.85249996185303,1.0,2.67000007629395,2.57100009918213,12.0,12.0,61.0769004821777,0.0,0.0,0.0,13.0,3.43175625801086
InChI%3D1S%2FC6H6ClN%2Fc7-4-6-2-1-3-8-5-6%2Fh1-3%2C5H%2C4H2,0.0,8.0,14.0,0.278899997472763,1.0,1.89999997615814,0.377000004053116,6.0,6.0,36.4939994812012,1.0,0.0,0.0,6.0,0.0777852088212967
InChI%3D1S%2FC10H13N5O3S%2Fc11-10-13-8-7%289%2819%2914-10%2912-3-15%288%296-1-4%2817%295%282-16%2918-6%2Fh3-6%2C16-17H%2C1-2H2%2C%28H3%2C11%2C13%2C14%2C19%29,6.0,21.0,38.0,-1.46589994430542,2.0,1.57000005245209,-0.757000029087067,0.0,0.0,64.421501159668,1.0,1.0,0.0,4.0,2.14886283874512
InChI%3D1S%2FC3H4N2O3%2Fc6-3-5%284-7%291-2-8-3%2Fh1-2H2,0.0,8.0,12.0,0.336699992418289,1.0,1.24000000953674,-0.323000013828278,0.0,0.0,24.3743000030518,2.0,0.0,0.0,6.0,0.113366886973381
InChI%3D1S%2FC2H5NS%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,1.0,3.0,9.0,0.555599987506866,0.0,1.46000003814697,0.742999970912933,0.0,0.0,20.3145999908447,4.0,0.0,2.0,2.0,0.30869135260582
InChI%3D1S%2FC14H15N3%2Fc1-10-5-3-4-6-14%2810%2917-16-12-7-8-13%2815%2911%282%299-12%2Fh3-9H%2C15H2%2C1-2H3,1.0,18.0,32.0,1.60930001735687,2.0,2.67000007629395,2.45900011062622,12.0,12.0,72.6808013916016,2.0,0.0,0.0,15.0,2.58984637260437
InChI%3D1S%2FC8H16N2O3%2Fc1-3-5-6-7-10%289-12%298%2811%2913-4-2%2Fh3-7H2%2C1-2H3,0.0,12.0,29.0,-0.134900003671646,8.0,1.78999996185303,2.22900009155273,0.0,0.0,44.2860984802246,13.0,0.0,5.0,6.0,0.0181980095803738
InChI%3D1S%2FC6H7N3O%2Fc1-9%288-10%296-4-2-3-5-7-6%2Fh2-5H%2C1H3,0.0,10.0,17.0,-0.224000006914139,2.0,1.67999994754791,-0.446999996900558,6.0,6.0,40.3876991271973,4.0,0.0,0.0,9.0,0.0501759983599186
InChI%3D1S%2FC17H14O6%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%2C8-9%2C17-18H%2C2-3H2%2C1H3,1.0,27.0,39.0,-1.72850000858307,1.0,2.67000007629395,0.754999995231628,6.0,6.0,79.405403137207,2.0,0.0,0.0,11.0,2.98771214485168
InChI%3D1S%2FC6H6O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4%2C7-8H,2.0,8.0,14.0,0.277200013399124,0.0,1.89999997615814,0.653999984264374,6.0,6.0,34.1668014526367,0.0,0.0,0.0,8.0,0.076839841902256
InChI%3D1S%2FC12H14N4%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%2Fh1-6H%2C13-16H2,4.0,17.0,30.0,-2.37120008468628,1.0,2.33999991416931,-0.582000017166138,12.0,12.0,73.6706008911133,0.0,0.0,0.0,16.0,5.62258958816528
InChI%3D1S%2FC2H5NO2%2Fc1-5-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,2.0,4.0,10.0,0.57150000333786,1.0,1.35000002384186,0.497000008821487,0.0,0.0,15.5243997573853,5.0,0.0,0.0,4.0,0.326612263917923
InChI%3D1S%2FC5H10N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H2,0.0,8.0,18.0,-0.954599976539612,1.0,1.67999994754791,0.818000018596649,0.0,0.0,26.8162994384766,2.0,0.0,0.0,3.0,0.911261141300201
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,0.0,14.0,29.0,0.0841000005602837,5.0,1.46000003814697,0.834999978542328,0.0,0.0,55.7243003845215,7.0,0.0,2.0,5.0,0.0070728100836277
InChI%3D1S%2FC3H5N3O4%2Fc4-3%289%296%285-10%291-2%287%298%2Fh1H2%2C%28H2%2C4%2C9%29%28H%2C7%2C8%29,3.0,9.0,15.0,-0.118600003421307,4.0,1.01999998092651,-0.767000019550323,0.0,0.0,28.9158992767334,10.0,0.0,2.0,6.0,0.0140659604221582
InChI%3D1S%2FC14H8O3%2Fc15-11-7-3-6-10-12%2811%2914%2817%299-5-2-1-4-8%289%2913%2810%2916%2Fh1-7%2C15H,1.0,19.0,25.0,0.933700025081635,0.0,2.67000007629395,0.708999991416931,12.0,12.0,69.3286972045898,0.0,0.0,0.0,17.0,0.87179571390152
InChI%3D1S%2FC5H6O2%2Fc6-4-5-2-1-3-7-5%2Fh1-3%2C6H%2C4H2,1.0,7.0,13.0,-0.602800011634827,1.0,1.78999996185303,0.382999986410141,5.0,5.0,8.89589977264404,2.0,0.0,0.0,5.0,0.363367825746536
InChI%3D1S%2FC2H5N3O2%2Fc1-5%284-7%292%283%296%2Fh1H3%2C%28H2%2C3%2C6%29,2.0,6.0,12.0,0.425300002098083,2.0,1.12999999523163,-0.149000003933907,0.0,0.0,22.8313007354736,7.0,0.0,0.0,6.0,0.180880084633827
InChI%3D1S%2FC9H18N3OP%2Fc1-7-4-10%287%2914%2813%2C11-5-8%2811%292%2912-6-9%2812%293%2Fh7-9H%2C4-6H2%2C1-3H3,0.0,16.0,32.0,-1.69229996204376,3.0,1.89999997615814,0.188999995589256,0.0,0.0,56.4845008850098,1.0,0.0,0.0,5.0,2.86387920379639
InChI%3D1S%2FC14H16N2O2%2Fc1-17-13-7-9%283-5-11%2813%2915%2910-4-6-12%2816%2914%288-10%2918-2%2Fh3-8H%2C15-16H2%2C1-2H3,2.0,19.0,34.0,-0.975000023841858,3.0,2.55999994277954,0.882000029087067,12.0,12.0,79.8580017089844,2.0,0.0,0.0,16.0,0.950625002384186
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3,0.0,5.0,18.0,0.981800019741058,1.0,1.89999997615814,1.32000005245209,0.0,0.0,26.8162994384766,6.0,0.0,0.0,0.0,0.963931262493134
InChI%3D1S%2FC4H8%2Fc1-4%282%293%2Fh1H2%2C2-3H3,0.0,3.0,12.0,1.79589998722076,0.0,1.89999997615814,1.84800004959106,0.0,0.0,19.9312992095947,4.0,0.0,3.0,2.0,3.22525691986084
InChI%3D1S%2FC24H26FNO4%2Fc1-15%282%2926-21-6-4-3-5-20%2821%2924%2816-7-9-17%2825%2910-8-16%2922%2826%2912-11-18%2827%2913-19%2828%2914-23%2829%2930%2Fh3-12%2C15%2C18-19%2C27-28H%2C13-14H2%2C1-2H3%2C%28H%2C29%2C30%29,3.0,32.0,58.0,0.716099977493286,8.0,3.44000005722046,2.04299998283386,12.0,12.0,121.12149810791,11.0,0.0,7.0,7.0,0.512799203395844
InChI%3D1S%2FC5H11N3O3%2Fc1-2-8%287-11%295%2810%296-3-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29,2.0,10.0,22.0,0.0143999997526407,5.0,1.35000002384186,-0.633000016212463,0.0,0.0,38.9272994995117,11.0,0.0,2.0,6.0,0.000207360004424118
InChI%3D1S%2FC11H14O2%2Fc1-4-5-9-6-7-10%2812-2%2911%288-9%2913-3%2Fh4%2C6-8H%2C1%2C5H2%2C2-3H3,0.0,13.0,27.0,1.2393000125885,4.0,2.45000004768372,2.54399991035461,6.0,6.0,57.9244995117188,3.0,0.0,3.0,8.0,1.53586447238922
InChI%3D1S%2FC16H9NO2%2Fc18-17%2819%2914-9-7-12-5-4-10-2-1-3-11-6-8-13%2814%2916%2812%2915%2810%2911%2Fh1-9H,0.0,22.0,28.0,-0.0465999990701675,1.0,2.89000010490417,6.95699977874756,16.0,19.0,2.88579988479614,3.0,0.0,0.0,19.0,0.00217155995778739
InChI%3D1S%2FC18H12O6%2Fc1-21-11-7-12-13%288-5-6-22-18%288%2924-12%2917-15%2811%2916%2820%2914-9%2819%293-2-4-10%2814%2923-17%2Fh2-8%2C18-19H%2C1H3,5.0,28.0,36.0,-1.13530004024506,1.0,2.77999997138977,1.65199995040894,12.0,12.0,90.2273025512695,2.0,0.0,0.0,18.0,1.28890609741211
InChI%3D1S%2FC5H10N4O2%2Fc10-6-8-2-1-3-9%287-11%295-4-8%2Fh1-5H2,1.0,11.0,21.0,-0.469199985265732,2.0,1.35000002384186,-0.153999999165535,0.0,0.0,39.0746002197266,2.0,0.0,0.0,3.0,0.220148637890816
InChI%3D1S%2FC11H14N2O4%2Fc12-10%2814%2916-6-9%287-17-11%2813%2915%298-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2%2C%28H2%2C12%2C14%29%28H2%2C13%2C15%29,4.0,17.0,31.0,1.86329996585846,7.0,2.00999999046326,2.32599997520447,6.0,6.0,61.6183013916016,11.0,0.0,3.0,6.0,3.47188687324524
InChI%3D1S%2FC12H7Cl2NO3%2Fc13-8-1-6-12%2811%2814%297-8%2918-10-4-2-9%283-5-10%2915%2816%2917%2Fh1-7H,0.0,19.0,25.0,1.2878999710083,3.0,2.11999988555908,4.76300001144409,12.0,12.0,15.7361001968384,3.0,0.0,0.0,16.0,1.65868639945984
InChI%3D1S%2FC6H13N3O2%2Fc1-2-3-4-5-9%288-11%296%287%2910%2Fh2-5H2%2C1H3%2C%28H2%2C7%2C10%29,2.0,10.0,24.0,-0.478100001811981,6.0,1.57000005245209,1.76999998092651,0.0,0.0,36.4803009033203,11.0,0.0,5.0,6.0,0.228579610586166
InChI%3D1S%2FC9H17NO2%2Fc10-7-9%286-8%2811%2912%294-2-1-3-5-9%2Fh1-7%2C10H2%2C%28H%2C11%2C12%29,2.0,12.0,29.0,-2.05229997634888,3.0,2.11999988555908,1.39100003242493,0.0,0.0,41.7888984680176,4.0,0.0,2.0,3.0,4.21193552017212
InChI%3D1S%2FC9H8O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-4H%2C5-6H2,0.0,12.0,19.0,0.767099976539612,0.0,2.23000001907349,0.76800000667572,6.0,6.0,44.7696990966797,0.0,0.0,0.0,9.0,0.588442385196686
InChI%3D1S%2FC14H13NO%2Fc1-11%2816%2915-14-9-7-13%288-10-14%2912-5-3-2-4-6-12%2Fh2-10H%2C1H3%2C%28H%2C15%2C16%29,1.0,17.0,29.0,1.89709997177124,2.0,2.77999997138977,2.74399995803833,12.0,12.0,72.6998977661133,4.0,0.0,2.0,15.0,3.59898829460144
InChI%3D1S%2FC9H13ClN6%2Fc1-4-12-7-13-6%2810%2914-8%2815-7%2916-9%282%2C3%295-11%2Fh4H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29,4.0,16.0,33.0,1.18340003490448,3.0,1.67999994754791,0.544000029563904,0.0,0.0,60.3378982543945,6.0,0.0,3.0,4.0,1.40043556690216
InChI%3D1S%2FC9H8N4O2S%2Fc10-12-9-11-8%285-16-9%296-1-3-7%284-2-6%2913%2814%2915%2Fh1-5H%2C10H2%2C%28H%2C11%2C12%29,3.0,17.0,28.0,-0.47189998626709,3.0,1.67999994754791,2.20499992370605,6.0,6.0,19.2633991241455,2.0,0.0,0.0,9.0,0.222689613699913
InChI%3D1S%2FC3H5N3O9%2Fc7-4%288%2913-1-3%2815-6%2811%2912%292-14-5%289%2910%2Fh3H%2C1-2H2,0.0,14.0,20.0,-0.0697999969124794,8.0,0.469999998807907,0.976000010967255,0.0,0.0,25.5303001403809,15.0,0.0,3.0,4.0,0.00487203989177942
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%29,3.0,55.0,89.0,3.1363000869751,13.0,3.99000000953674,0.791000008583069,24.0,24.0,216.126693725586,4.0,2.0,2.0,23.0,9.83637809753418
InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2,0.0,5.0,11.0,2.49469995498657,2.0,1.46000003814697,3.0550000667572,0.0,0.0,35.636100769043,6.0,0.0,3.0,0.0,6.2235279083252
InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-2-1-3-8%284-7%296-10%2Fh1-4H2,0.0,10.0,18.0,-0.486900001764297,2.0,1.24000000953674,-0.017000000923872,0.0,0.0,33.8841018676758,2.0,0.0,0.0,3.0,0.237071603536606
InChI%3D1S%2FC14H8O4%2Fc15-9-5-1-3-7-11%289%2914%2818%2912-8%2813%287%2917%294-2-6-10%2812%2916%2Fh1-6%2C15-16H,2.0,20.0,26.0,0.370599985122681,0.0,2.55999994277954,0.206000000238419,12.0,12.0,70.934196472168,0.0,0.0,0.0,18.0,0.137344360351562
InChI%3D1S%2FC2H3F%2Fc1-2-3%2Fh2H%2C1H2,0.0,2.0,6.0,0.543099999427795,0.0,1.57000005245209,1.08800005912781,0.0,0.0,10.1890001296997,3.0,0.0,2.0,2.0,0.294957607984543
InChI%3D1S%2FC6H9NO%2Fc1-2-7-5-3-4-6%287%298%2Fh2H%2C1%2C3-5H2,0.0,8.0,17.0,-0.689899981021881,1.0,1.89999997615814,0.282999992370605,0.0,0.0,29.0034008026123,2.0,0.0,2.0,5.0,0.47596201300621
InChI%3D1S%2FC7H5NS2%2Fc9-7-8-5-3-1-2-4-6%285%2910-7%2Fh1-4H%2C%28H%2C8%2C9%29,0.0,11.0,17.0,1.90939998626709,0.0,1.89999997615814,1.20200002193451,6.0,6.0,52.7841987609863,0.0,0.0,0.0,7.0,3.64580845832825
InChI%3D1S%2FC9H15Cl6O4P%2Fc10-1-7%282-11%2917-20%2816%2C18-8%283-12%294-13%2919-9%285-14%296-15%2Fh7-9H%2C1-6H2,0.0,19.0,35.0,4.28550004959106,12.0,1.24000000953674,4.01100015640259,0.0,0.0,83.1691970825195,20.0,1.0,3.0,5.0,18.3655109405518
InChI%3D1S%2FC27H50O6%2Fc1-4-7-10-13-16-19-25%2828%2931-22-24%2833-27%2830%2921-18-15-12-9-6-3%2923-32-26%2829%2920-17-14-11-8-5-2%2Fh24H%2C4-23H2%2C1-3H3,0.0,32.0,83.0,-4.3621997833252,26.0,3.76999998092651,9.63399982452393,0.0,0.0,106.715103149414,33.0,2.0,8.0,3.0,19.0287895202637
InChI%3D1S%2FC13H14N2%2Fc14-12-5-1-10%282-6-12%299-11-3-7-13%2815%298-4-11%2Fh1-8H%2C9%2C14-15H2,2.0,16.0,29.0,0.478399991989136,2.0,2.67000007629395,0.924000024795532,12.0,12.0,71.1719970703125,0.0,0.0,0.0,7.0,0.228866562247276
InChI%3D1S%2FC6H12N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3%2C6%2C9H%2C1%2C4-5H2%2C2H3,1.0,9.0,22.0,0.157499998807907,5.0,1.67999994754791,0.090999998152256,0.0,0.0,40.089900970459,10.0,0.0,3.0,3.0,0.0248062498867512
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%2C1-3H3,2.0,27.0,56.0,0.760399997234344,0.0,3.44000005722046,5.11899995803833,0.0,0.0,91.8352966308594,1.0,1.0,0.0,5.0,0.578208148479462
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%29,3.0,22.0,39.0,2.52049994468689,4.0,2.23000001907349,1.17999994754791,6.0,6.0,87.6377029418945,5.0,0.0,2.0,9.0,6.3529200553894
InChI%3D1S%2FC12H12N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10%2C13-14H,2.0,15.0,26.0,1.07239997386932,3.0,2.55999994277954,2.37599992752075,12.0,12.0,67.1669998168945,2.0,0.0,0.0,14.0,1.15004181861877
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%2C1H3,1.0,18.0,30.0,0.691200017929077,1.0,2.77999997138977,2.05100011825562,13.0,15.0,74.5651016235352,2.0,0.0,2.0,14.0,0.477757453918457
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,0.0,5.0,13.0,-0.706900000572205,0.0,1.78999996185303,0.526000022888184,0.0,0.0,16.86669921875,0.0,0.0,0.0,0.0,0.499707609415054
InChI%3D1S%2FC3H7NO%2Fc1-3%282%294-5%2Fh5H%2C1-2H3,1.0,4.0,12.0,-0.202099993824959,0.0,1.57000005245209,0.428000003099442,0.0,0.0,19.729700088501,5.0,0.0,3.0,3.0,0.0408444106578827
InChI%3D1S%2FCH4N2O2%2Fc2-1-3%284%295%2Fh1-2H2,1.0,4.0,9.0,-1.90120005607605,1.0,1.12999999523163,-0.968999981880188,0.0,0.0,11.4048004150391,5.0,0.0,0.0,2.0,3.61456155776978
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%29,1.0,13.0,33.0,-0.92739999294281,8.0,1.89999997615814,2.3529999256134,0.0,0.0,49.8160018920898,14.0,0.0,4.0,6.0,0.860070765018463
InChI%3D1S%2FC6H6N2O3%2Fc7-5-3-4%288%2810%2911%291-2-6%285%299%2Fh1-3%2C9H%2C7H2,2.0,11.0,17.0,-1.25680005550385,1.0,1.57000005245209,1.11899995803833,6.0,6.0,9.67249965667725,2.0,0.0,0.0,11.0,1.57954621315002
InChI%3D1S%2FC15H9NO4%2Fc1-8-6-7-11-12%2813%288%2916%2819%2920%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C1H3,0.0,22.0,29.0,0.0678000003099442,1.0,2.55999994277954,3.65100002288818,12.0,12.0,19.0799007415771,2.0,0.0,0.0,19.0,0.00459684012457728
InChI%3D1S%2FC12H12N2O2S%2Fc13-9-1-5-11%286-2-9%2917%2815%2C16%2912-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,2.0,18.0,29.0,-0.905399978160858,2.0,2.23000001907349,-0.99099999666214,12.0,12.0,76.3081970214844,2.0,0.0,0.0,17.0,0.819749176502228
InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3,1.0,4.0,15.0,0.573300004005432,0.0,1.78999996185303,0.800999999046326,0.0,0.0,22.0650997161865,5.0,0.0,3.0,0.0,0.328672885894775
InChI%3D1S%2FC6H4N4O3S%2Fc7-6-9-8-5%2814-6%293-1-2-4%2813-3%2910%2811%2912%2Fh1-2H%2C%28H2%2C7%2C9%29,3.0,15.0,20.0,0.143500000238419,2.0,1.24000000953674,1.38399994373322,5.0,5.0,27.4755992889404,2.0,0.0,0.0,8.0,0.0205922499299049
InChI%3D1S%2FC19H16ClNO4%2Fc1-11-15%2810-18%2822%2923%2916-9-14%2825-2%297-8-17%2816%2921%2811%2919%2824%2912-3-5-13%2820%296-4-12%2Fh3-9H%2C10H2%2C1-2H3%2C%28H%2C22%2C23%29,1.0,27.0,43.0,0.693899989128113,5.0,2.89000010490417,1.4539999961853,12.0,12.0,101.468200683594,4.0,0.0,2.0,16.0,0.481497198343277
InChI%3D1S%2FC15H18N2%2Fc1-10-7-12%283-5-14%2810%2916%299-13-4-6-15%2817%2911%282%298-13%2Fh3-8H%2C9%2C16-17H2%2C1-2H3,2.0,18.0,35.0,1.37119996547699,2.0,2.89000010490417,1.28600001335144,12.0,12.0,79.7360000610352,0.0,0.0,0.0,7.0,1.88018941879272
InChI%3D1S%2FC21H27N5O2S%2Fc1-14-4-5-15%2811-24-14%2910-16-12-25-20%2826-19%2816%2927%2923-8-9-29-13-17-6-7-18%2828-17%2921%282%2C3%2922%2Fh4-7%2C11-12H%2C8-10%2C13%2C22H2%2C1-3H3%2C%28H2%2C23%2C25%2C26%2C27%29,4.0,31.0,60.0,-1.17610001564026,8.0,2.89000010490417,0.456000000238419,11.0,11.0,120.499198913574,5.0,0.0,2.0,6.0,1.38321125507355
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%29,3.0,17.0,30.0,-0.456800013780594,0.0,2.45000004768372,0.953999996185303,6.0,6.0,61.1085014343262,0.0,0.0,0.0,7.0,0.208666235208511
InChI%3D1S%2FC17H21N3%2Fc1-19%282%2915-9-5-13%286-10-15%2917%2818%2914-7-11-16%2812-8-14%2920%283%294%2Fh5-12%2C18H%2C1-4H3,1.0,21.0,41.0,1.85199999809265,4.0,3.0,2.47399997711182,12.0,12.0,93.3126983642578,3.0,0.0,0.0,16.0,3.42990398406982
InChI%3D1S%2FC4H8N2O2%2Fc1-4%287%293-6%282%295-8%2Fh3H2%2C1-2H3,0.0,7.0,16.0,-0.467200011014938,3.0,1.46000003814697,-0.628000020980835,0.0,0.0,29.6861991882324,8.0,0.0,3.0,3.0,0.218275845050812
InChI%3D1S%2FC9H13N%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5H%2C10H2%2C1-3H3,1.0,10.0,23.0,1.54589998722076,0.0,2.33999991416931,1.28900003433228,6.0,6.0,47.3516006469727,0.0,0.0,0.0,7.0,2.38980674743652
InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29,4.0,6.0,12.0,-0.884400010108948,0.0,1.24000000953674,0.347000002861023,0.0,0.0,18.7336006164551,0.0,0.0,0.0,5.0,0.782163381576538
InChI%3D1S%2FC13H9NO2%2Fc15-14%2816%2911-5-6-13-10%288-11%297-9-3-1-2-4-12%289%2913%2Fh1-6%2C8H%2C7H2,0.0,18.0,25.0,0.409599989652634,1.0,2.55999994277954,5.86100006103516,12.0,12.0,7.48680019378662,3.0,0.0,0.0,15.0,0.16777215898037
InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295,0.0,4.0,5.0,3.58459997177124,0.0,1.12999999523163,2.86400008201599,0.0,0.0,26.8490009307861,4.0,0.0,0.0,0.0,12.8493576049805
InChI%3D1S%2FC6H10N3O6P%2Fc1-5-7-4-6%289%2810%2911%298%285%292-3-15-16%2812%2C13%2914%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C12%2C13%2C14%29,3.0,16.0,27.0,-0.354999989271164,5.0,1.01999998092651,-1.21200001239777,5.0,5.0,33.9707984924316,7.0,0.0,2.0,8.0,0.126025006175041
InChI%3D1S%2FC15H17N3%2Fc1-12-5-4-6-14%2811-12%2917-16-13-7-9-15%2810-8-13%2918%282%293%2Fh4-11H%2C1-3H3,0.0,19.0,35.0,2.13059997558594,3.0,2.77999997138977,3.51500010490417,12.0,12.0,78.4681015014648,2.0,0.0,0.0,15.0,4.53945636749268
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,0.0,13.0,19.0,0.548799991607666,2.0,1.57000005245209,2.68199992179871,6.0,6.0,11.273699760437,2.0,0.0,0.0,12.0,0.301181435585022
InChI%3D1S%2FC13H21NO3%2Fc1-13%282%2C3%2914-7-12%2817%299-4-5-11%2816%2910%286-9%298-15%2Fh4-6%2C12%2C14-17H%2C7-8H2%2C1-3H3,4.0,17.0,38.0,0.114500001072884,5.0,2.45000004768372,0.46900001168251,6.0,6.0,70.8731002807617,8.0,0.0,3.0,7.0,0.0131102502346039
InChI%3D1S%2FC3H5ClO%2Fc4-1-3-2-5-3%2Fh3H%2C1-2H2,0.0,5.0,10.0,0.563000023365021,1.0,1.57000005245209,0.611999988555908,0.0,0.0,20.056999206543,1.0,0.0,0.0,0.0,0.316969007253647
InChI%3D1S%2FC62H86N12O16%2Fc1-27%282%2942-59%2884%2973-23-17-19-36%2873%2957%2882%2969%2813%2925-38%2875%2971%2815%2948%2829%285%296%2961%2886%2988-33%2811%2944%2855%2880%2965-42%2967-53%2878%2935-22-21-31%289%2951-46%2835%2964-47-40%2841%2863%2950%2877%2932%2810%2952%2847%2990-51%2954%2879%2968-45-34%2812%2989-62%2887%2949%2830%287%298%2972%2816%2939%2876%2926-70%2814%2958%2883%2937-20-18-24-74%2837%2960%2885%2943%2828%283%294%2966-56%2845%2981%2Fh21-22%2C27-30%2C33-34%2C36-37%2C42-45%2C48-49H%2C17-20%2C23-26%2C63H2%2C1-16H3%2C%28H%2C65%2C80%29%28H%2C66%2C81%29%28H%2C67%2C78%29%28H%2C68%2C79%29,6.0,96.0,182.0,-5.45800018310547,8.0,5.19999980926514,1.51999998092651,6.0,6.0,289.450012207031,3.0,2.0,0.0,11.0,29.7897644042969
InChI%3D1S%2FC5H11NO2%2Fc1-3-5%284-2%296%287%298%2Fh5H%2C3-4H2%2C1-2H3,0.0,7.0,19.0,-0.682500004768372,3.0,1.67999994754791,1.442999958992,0.0,0.0,23.8108997344971,8.0,0.0,5.0,2.0,0.465806245803833
InChI%3D1S%2FC4H9NO2%2Fc1-4%282%293-7-5-6%2Fh4H%2C3H2%2C1-2H3,0.0,23.0,38.0,2.95350003242493,5.0,2.55999994277954,2.20799994468689,12.0,12.0,89.5288009643555,5.0,0.0,0.0,20.0,8.72316265106201
InChI%3D1S%2FC15H18N4O%2Fc1-3-18%284-2%2915-7-5-13%286-8-15%2916-17-14-9-11-19%2820%2912-10-14%2Fh5-12H%2C3-4H2%2C1-2H3,0.0,21.0,39.0,0.0366000011563301,5.0,2.55999994277954,3.03699994087219,6.0,6.0,78.1986999511719,5.0,0.0,2.0,15.0,0.00133956002537161
InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H,0.0,12.0,19.0,0.767099976539612,0.0,2.23000001907349,0.76800000667572,6.0,6.0,44.7696990966797,0.0,0.0,0.0,9.0,0.588442385196686
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,1.0,12.0,13.0,2.68379998207092,0.0,1.46000003814697,3.61999988555908,6.0,6.0,56.1422996520996,0.0,0.0,0.0,7.0,7.20278263092041
InChI%3D1S%2FC20H12%2Fc1-2-7-17-15%284-1%2912-16-9-8-13-5-3-6-14-10-11-18%2817%2920%2816%2919%2813%2914%2Fh1-12H,0.0,24.0,32.0,3.11319994926453,0.0,3.66000008583069,5.95599985122681,20.0,24.0,93.4252014160156,0.0,1.0,0.0,20.0,9.69201469421387
InChI%3D1S%2FC6H12N2OS2%2Fc1-4-8%287-9%295%282%2911-6%283%2910-4%2Fh4-6H%2C1-3H3,0.0,11.0,23.0,2.48729991912842,1.0,1.57000005245209,1.8289999961853,0.0,0.0,49.611499786377,1.0,0.0,0.0,3.0,6.18666124343872
InChI%3D1S%2FC10H16%2Fc1-8%282%2910-6-4-9%283%295-7-10%2Fh4%2C10H%2C1%2C5-7H2%2C2-3H3,1.0,10.0,26.0,2.14240002632141,1.0,2.55999994277954,3.72900009155273,0.0,0.0,46.0152015686035,2.0,0.0,0.0,2.0,4.58987760543823
InChI%3D1S%2FC12H26N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-14%282%2913-15%2Fh3-12H2%2C1-2H3,0.0,14.0,41.0,-2.54060006141663,11.0,2.45000004768372,5.05800008773804,0.0,0.0,51.1691017150879,15.0,2.0,11.0,3.0,6.45464849472046
InChI%3D1S%2FC18H16N2O7S2%2Fc1-10-3-6-15%2811%282%297-10%2919-20-17-14-9-13%2828%2822%2C23%2924%295-4-12%2814%298-16%2818%2817%2921%2929%2825%2C26%2927%2Fh3-9%2C19H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29,3.0,31.0,45.0,0.563000023365021,4.0,2.23000001907349,-0.305999994277954,12.0,12.0,113.425003051758,3.0,0.0,0.0,27.0,0.316969007253647
InChI%3D1S%2FC19H27NO7%2Fc1-11-9-19%2812%282%2927-19%2917%2823%2926-14-6-8-20%284%297-5-13%2815%2814%2921%2910-25-16%2822%2918%2811%2C3%2924%2Fh5%2C11-12%2C14%2C24H%2C6-10H2%2C1-4H3,1.0,29.0,54.0,-1.01660001277924,0.0,2.67000007629395,0.0799999982118607,0.0,0.0,93.2130966186523,0.0,0.0,0.0,4.0,1.03347551822662
InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3,0.0,8.0,20.0,-0.499000012874603,3.0,1.78999996185303,2.0699999332428,0.0,0.0,30.1527004241943,9.0,0.0,6.0,5.0,0.249000996351242
InChI%3D1S%2FC7H3Cl5O%2Fc1-13-7-5%2811%293%289%292%288%294%2810%296%287%2912%2Fh1H3,0.0,13.0,16.0,2.74830007553101,1.0,1.57000005245209,3.94099998474121,6.0,6.0,61.1803016662598,2.0,0.0,0.0,7.0,7.5531530380249
InChI%3D1S%2FC9H15Br6O4P%2Fc10-1-7%2813%294-17-20%2816%2C18-5-8%2814%292-11%2919-6-9%2815%293-12%2Fh7-9H%2C1-6H2,0.0,19.0,35.0,5.15250015258789,12.0,1.24000000953674,5.55000019073486,0.0,0.0,101.070198059082,20.0,2.0,3.0,5.0,26.5482559204102
InChI%3D1S%2FC5H7N3OS%2Fc1-4-2-10-5%287-4%298-6-3-9%2Fh2-3H%2C1H3%2C%28H%2C6%2C9%29%28H%2C7%2C8%29,3.0,10.0,21.0,0.330199986696243,2.0,1.46000003814697,1.39199995994568,0.0,0.0,41.6189994812012,4.0,0.0,0.0,4.0,0.109032042324543
InChI%3D1S%2FC19H28O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh3%2C13-16%2C20H%2C4-11H2%2C1-2H3,1.0,24.0,49.0,0.174999997019768,0.0,3.32999992370605,3.03500008583069,0.0,0.0,82.4268035888672,0.0,0.0,0.0,2.0,0.0306250005960464
InChI%3D1S%2FC7H10N2%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C8-9H2%2C1H3,2.0,9.0,19.0,-0.543600022792816,0.0,2.00999999046326,0.0130000002682209,6.0,6.0,42.3373985290527,0.0,0.0,0.0,8.0,0.295500963926315
InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2,0.0,6.0,14.0,-0.261799991130829,0.0,1.67999994754791,-0.379999995231628,0.0,0.0,22.0869998931885,0.0,0.0,0.0,0.0,0.0685392394661903
InChI%3D1S%2FC14H12FNO%2Fc1-10%2817%2916-14-8-4-12%285-9-14%2911-2-6-13%2815%297-3-11%2Fh2-9H%2C1H3%2C%28H%2C16%2C17%29,1.0,18.0,29.0,1.80690002441406,2.0,2.67000007629395,1.80499994754791,12.0,12.0,72.8276977539062,4.0,0.0,2.0,15.0,3.26488757133484
InChI%3D1S%2FC7H8N2O%2Fc1-9%288-10%297-5-3-2-4-6-7%2Fh2-6H%2C1H3,0.0,10.0,18.0,0.945100009441376,2.0,1.89999997615814,0.620999991893768,6.0,6.0,44.6372985839844,4.0,0.0,0.0,9.0,0.893213987350464
InChI%3D1S%2FC8H6N4O5%2Fc13-6-4-11%288%2814%2910-6%299-3-5-1-2-7%2817-5%2912%2815%2916%2Fh1-3H%2C4H2%2C%28H%2C10%2C13%2C14%29,1.0,18.0,23.0,-1.28090000152588,3.0,1.35000002384186,0.880999982357025,5.0,5.0,32.3368988037109,2.0,0.0,0.0,16.0,1.64070475101471
InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2,0.0,13.0,23.0,-0.761099994182587,3.0,1.57000005245209,0.759999990463257,0.0,0.0,50.7221984863281,1.0,0.0,0.0,5.0,0.579273223876953
InChI%3D1S%2FC8H6N4O4S%2Fc1-4%2813%299-8-11-10-7%2817-8%295-2-3-6%2816-5%2912%2814%2915%2Fh2-3H%2C1H3%2C%28H%2C9%2C11%2C13%29,2.0,18.0,24.0,0.318199992179871,3.0,1.35000002384186,1.28699994087219,5.0,5.0,26.1991996765137,4.0,0.0,2.0,16.0,0.101251237094402
InChI%3D1S%2FC16H15NO2%2Fc17-15-11-5-4-10-14%2815%2916%2818%2919-12-6-9-13-7-2-1-3-8-13%2Fh1-11H%2C12%2C17H2,1.0,20.0,34.0,1.60720002651215,5.0,2.89000010490417,3.10800004005432,12.0,12.0,84.3436965942383,6.0,0.0,3.0,10.0,2.58309173583984
InChI%3D1S%2FC7H7NO3%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3,0.0,11.0,18.0,-0.0983999967575073,2.0,1.78999996185303,2.23900008201599,6.0,6.0,10.2016000747681,2.0,0.0,0.0,10.0,0.00968256033957005
InChI%3D1S%2FC7H7FN2O%2Fc1-10%289-11%297-4-2-6%288%293-5-7%2Fh2-5H%2C1H3,0.0,11.0,18.0,0.854900002479553,2.0,1.78999996185303,0.526000022888184,6.0,6.0,44.7650985717773,4.0,0.0,0.0,9.0,0.730854034423828
InChI%3D1S%2FC32H24N6O14S4%2Fc33-23-13-21%2853%2841%2C42%2943%299-17-11-25%2855%2847%2C48%2949%2929%2831%2839%2927%2817%2923%2937-35-19-5-1-15%282-6-19%2916-3-7-20%288-4-16%2936-38-30-26%2856%2850%2C51%2952%2912-18-10-22%2854%2844%2C45%2946%2914-24%2834%2928%2818%2932%2830%2940%2Fh1-14%2C35-36H%2C33-34H2%2C%28H%2C41%2C42%2C43%29%28H%2C44%2C45%2C46%29%28H%2C47%2C48%2C49%29%28H%2C50%2C51%2C52%29,8.0,61.0,80.0,-3.44420003890991,9.0,2.33999991416931,-2.98799991607666,24.0,24.0,214.381393432617,3.0,2.0,0.0,56.0,11.8625135421753
InChI%3D1S%2FCH4N2S%2Fc2-1%283%294%2Fh%28H4%2C2%2C3%2C4%29,2.0,3.0,8.0,0.552799999713898,0.0,1.24000000953674,0.0670000016689301,0.0,0.0,17.391300201416,4.0,0.0,0.0,3.0,0.305587828159332
InChI%3D1S%2FC32H40BrN5O5%2Fc1-16%282%2912-24-29%2840%2937-11-7-10-25%2837%2932%2842%2938%2824%2930%2841%2931%2843-32%2C17%283%294%2935-28%2839%2918-13-20-19-8-6-9-22-26%2819%2921%2827%2833%2934-22%2914-23%2820%2936%285%2915-18%2Fh6%2C8-9%2C13%2C16-18%2C23-25%2C34%2C42H%2C7%2C10-12%2C14-15H2%2C1-5H3%2C%28H%2C35%2C39%29,3.0,49.0,80.0,-1.78890001773834,5.0,3.76999998092651,3.38199996948242,14.0,16.0,162.10270690918,4.0,0.0,3.0,18.0,3.20016312599182
InChI%3D1S%2FC7H4N2O3S%2Fc10-9%2811%297-2-1-6%2812-7%295-3-13-4-8-5%2Fh1-4H,1.0,14.0,21.0,0.389899998903275,2.0,1.57000005245209,1.74300003051758,5.0,5.0,12.2983999252319,3.0,0.0,0.0,8.0,0.152022004127502
InChI%3D1S%2FC3H3N3O3%2Fc7-2-1-6%285-9%293%288%294-2%2Fh1H2%2C%28H%2C4%2C7%2C8%29,1.0,9.0,12.0,-0.648500025272369,1.0,1.12999999523163,-0.976999998092651,0.0,0.0,26.4381008148193,2.0,0.0,0.0,8.0,0.420552253723145
InChI%3D1S%2FC7H14N2O%2Fc10-8-9-6-4-2-1-3-5-7-9%2Fh1-7H2,0.0,10.0,24.0,-1.53059995174408,1.0,1.89999997615814,1.74500000476837,0.0,0.0,32.6394996643066,2.0,0.0,0.0,3.0,2.34273624420166
InChI%3D1S%2FC2H2F4%2Fc3-1-2%284%2C5%296%2Fh1H2,0.0,5.0,8.0,1.58940005302429,1.0,1.24000000953674,2.26300001144409,0.0,0.0,12.0193004608154,6.0,0.0,2.0,0.0,2.52619242668152
InChI%3D1S%2FC16H17NO2%2Fc1-18-15-9-10-16%2819-2%2913%2811-15%296-3-12-4-7-14%2817%298-5-12%2Fh3-11H%2C17H2%2C1-2H3,1.0,20.0,36.0,0.689499974250793,4.0,2.89000010490417,2.06800007820129,12.0,12.0,86.6268005371094,2.0,0.0,2.0,17.0,0.475410252809525
InChI%3D1S%2FC15H11NO2%2Fc1-8-6-7-11-12%2813%288%2916%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C16H2%2C1H3,1.0,20.0,29.0,0.746500015258789,0.0,2.77999997138977,0.479000002145767,12.0,12.0,75.5550003051758,0.0,0.0,0.0,17.0,0.557262241840363
InChI%3D1S%2FC12H8Cl2%2Fc13-11-5-1-3-9%287-11%2910-4-2-6-12%2814%298-10%2Fh1-8H,0.0,15.0,22.0,3.15300011634827,1.0,2.55999994277954,2.96199989318848,12.0,12.0,68.9038009643555,0.0,0.0,0.0,12.0,9.94140911102295
InChI%3D1S%2FC6H13NO%2Fc1-4-7%285-2%296%283%298%2Fh4-5H2%2C1-3H3,0.0,7.0,21.0,0.0804999992251396,3.0,1.89999997615814,0.698000013828278,0.0,0.0,32.8469009399414,8.0,0.0,2.0,3.0,0.00648025004193187
InChI%3D1S%2FC3H4O2%2Fc4-2-1-3-5%2Fh1-4H,1.0,4.0,9.0,-0.468600004911423,1.0,1.57000005245209,-0.0439999997615814,0.0,0.0,18.0569000244141,5.0,0.0,3.0,5.0,0.219585955142975
InChI%3D1S%2FC9H11N3O%2Fc13-11-12-6-2-4-9%2812%298-3-1-5-10-7-8%2Fh1%2C3%2C5%2C7%2C9H%2C2%2C4%2C6H2,0.0,14.0,24.0,-1.20560002326965,2.0,2.00999999046326,0.165000006556511,6.0,6.0,48.7565994262695,2.0,0.0,0.0,6.0,1.45347130298615
InChI%3D1S%2FC2H5N5O3%2Fc1-6%285-8%292%283%294-7%289%2910%2Fh1H3%2C%28H2%2C3%2C4%29,2.0,9.0,15.0,-0.913600027561188,4.0,0.800000011920929,-0.790000021457672,0.0,0.0,14.2807998657227,10.0,0.0,0.0,9.0,0.834664940834045
InChI%3D1S%2FC10H8N4%2Fc11-8-5-4-7-10%2813-8%2914-6-2-1-3-9%2814%2912-7%2Fh1-6H%2C%28H2%2C11%2C13%29,2.0,16.0,32.0,-1.77540004253387,0.0,2.11999988555908,0.861999988555908,0.0,0.0,45.557300567627,0.0,0.0,0.0,3.0,3.15204524993896
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,1.0,8.0,14.0,0.575399994850159,0.0,1.89999997615814,0.901000022888184,6.0,6.0,39.2218017578125,0.0,0.0,0.0,7.0,0.33108514547348
InChI%3D1S%2FC26H29NO%2Fc1-4-25%2821-11-7-5-8-12-21%2926%2822-13-9-6-10-14-22%2923-15-17-24%2818-16-23%2928-20-19-27%282%293%2Fh5-18H%2C4%2C19-20H2%2C1-3H3,1.0,30.0,57.0,3.6470000743866,8.0,4.09999990463257,6.34200000762939,18.0,18.0,132.098602294922,6.0,1.0,4.0,21.0,13.3006086349487
InChI%3D1S%2FC7H5NO4%2Fc9-7%2810%295-1-3-6%284-2-5%298%2811%2912%2Fh1-4H%2C%28H%2C9%2C10%29,1.0,12.0,17.0,-0.286399990320206,2.0,1.67999994754791,1.91999995708466,6.0,6.0,10.1050996780396,3.0,0.0,0.0,12.0,0.0820249617099762
InChI%3D1S%2FC3H5NO%2Fc1-2-3%284%295%2Fh2H%2C1H2%2C%28H2%2C4%2C5%29,2.0,4.0,10.0,0.519200026988983,1.0,1.57000005245209,0.617999970912933,0.0,0.0,18.5485000610352,5.0,0.0,3.0,5.0,0.269568651914597
InChI%3D1S%2FC6H12N2O%2Fc1-6-4-2-3-5-8%286%297-9%2Fh6H%2C2-5H2%2C1H3,0.0,9.0,21.0,-0.965300023555756,1.0,1.78999996185303,1.27799999713898,0.0,0.0,31.4006996154785,1.0,0.0,0.0,3.0,0.931804060935974
InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh2-4H%2C1H3,0.0,4.0,11.0,0.608200013637543,1.0,1.78999996185303,0.816999971866608,0.0,0.0,22.2698993682861,5.0,0.0,4.0,4.0,0.369907230138779
InChI%3D1S%2FC15H17N5O%2Fc1-2-21-9-8-12-13%2811-6-4-3-5-7-11%2919-15%2816%2920-14%2812%2917-10-18-20%2Fh3-7%2C10H%2C2%2C8-9H2%2C1H3%2C%28H2%2C16%2C19%29,0.0,23.0,44.0,-0.399100005626678,5.0,2.45000004768372,1.74800002574921,6.0,6.0,80.3808975219727,5.0,0.0,2.0,6.0,0.159280806779861
InChI%3D1S%2FC14H19N3S%2Fc1-16%282%299-10-17%2812-13-6-5-11-18-13%2914-7-3-4-8-15-14%2Fh3-8%2C11H%2C9-10%2C12H2%2C1-2H3,0.0,19.0,37.0,0.0872000008821487,6.0,2.55999994277954,1.11800003051758,11.0,11.0,83.9619979858398,7.0,0.0,2.0,7.0,0.00760383997112513
InChI%3D1S%2FC3H6FN3O2%2Fc4-1-2-7%286-9%293%285%298%2Fh1-2H2%2C%28H2%2C5%2C8%29,2.0,8.0,15.0,0.82590001821518,4.0,1.12999999523163,0.479000002145767,0.0,0.0,27.4314994812012,9.0,0.0,2.0,6.0,0.682110786437988
InChI%3D1S%2FC14H9Cl5%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13H,0.0,20.0,28.0,4.80690002441406,3.0,2.45000004768372,4.05600023269653,12.0,12.0,93.4157028198242,5.0,0.0,2.0,6.0,23.1062870025635
InChI%3D1S%2FC11H16N4O4%2Fc16-8-4-14%285-9%2817%2912-8%292-1-3-15-6-10%2818%2913-11%2819%297-15%2Fh1-7H2%2C%28H%2C12%2C16%2C17%29%28H%2C13%2C18%2C19%29,2.0,20.0,35.0,-2.74819993972778,4.0,1.78999996185303,-1.40199995040894,0.0,0.0,62.8157997131348,3.0,0.0,3.0,5.0,7.55260324478149
InChI%3D1S%2FC10H14N2O4S%2Fc1-9-3-5-10%286-4-9%2917%2814%2C15%2916-8-7-12%282%2911-13%2Fh3-6H%2C7-8H2%2C1-2H3,0.0,17.0,31.0,1.02190005779266,6.0,1.78999996185303,-0.549000024795532,6.0,6.0,68.3355026245117,10.0,0.0,2.0,10.0,1.0442795753479
InChI%3D1S%2FC18H16N2O7S2%2Fc1-10-7-11%282%2916%2828%2822%2C23%2924%298-14%2810%2919-20-15-9-17%2829%2825%2C26%2927%2912-5-3-4-6-13%2812%2918%2815%2921%2Fh3-9%2C19H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29,3.0,31.0,45.0,0.456299990415573,4.0,2.23000001907349,-0.305999994277954,12.0,12.0,113.349899291992,3.0,0.0,0.0,27.0,0.208209693431854
InChI%3D1S%2FC33H40N2O9%2Fc1-38-19-7-8-20-21-9-10-35-16-18-13-27%2844-32%2836%2917-11-25%2839-2%2930%2841-4%2926%2812-17%2940-3%2931%2842-5%2928%2833%2837%2943-6%2922%2818%2915-24%2835%2929%2821%2934-23%2820%2914-19%2Fh7-8%2C11-12%2C14%2C18%2C22%2C24%2C27-28%2C31%2C34H%2C9-10%2C13%2C15-16H2%2C1-6H3,1.0,9.0,21.0,1.78069996833801,1.0,2.45000004768372,3.44199991226196,6.0,6.0,44.0035018920898,3.0,0.0,3.0,6.0,3.17089247703552
InChI%3D1S%2FC9H6N2O2%2Fc12-11%2813%298-5-1-3-7-4-2-6-10-9%287%298%2Fh1-6H,0.0,14.0,19.0,-0.0465999990701675,1.0,2.00999999046326,2.7039999961853,10.0,11.0,2.88579988479614,3.0,0.0,0.0,13.0,0.00217155995778739
InChI%3D1S%2FC7H10N6O3%2Fc1-11-4-8-6%2812%282%299-15%295%2811%297%2814%2913%283%2910-16%2Fh4H%2C1-3H3,1.0,16.0,30.0,-0.470800012350082,5.0,1.24000000953674,-0.568000018596649,0.0,0.0,56.2779998779297,6.0,0.0,0.0,5.0,0.221652641892433
InChI%3D1S%2FC15H11NO2%2Fc1-9%2817%2916-10-6-7-12-11-4-2-3-5-13%2811%2915%2818%2914%2812%298-10%2Fh2-8H%2C1H3%2C%28H%2C16%2C17%29,1.0,20.0,29.0,1.24210000038147,1.0,2.77999997138977,1.26800000667572,12.0,12.0,75.6056976318359,4.0,0.0,2.0,17.0,1.5428124666214
InChI%3D1S%2FC16H16N2O4S%2Fc1-11%2819%2917-13-3-7-15%288-4-13%2923%2821%2C22%2916-9-5-14%286-10-16%2918-12%282%2920%2Fh3-10H%2C1-2H3%2C%28H%2C17%2C19%29%28H%2C18%2C20%29,2.0,24.0,39.0,0.45100000500679,4.0,2.45000004768372,-0.245000004768372,12.0,12.0,95.6656036376953,4.0,0.0,2.0,21.0,0.203400999307632
InChI%3D1S%2FC15H32N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-14-15-17%282%2916-18%2Fh3-15H2%2C1-2H3,0.0,17.0,50.0,-3.40459990501404,14.0,2.77999997138977,6.7649998664856,0.0,0.0,59.9039001464844,18.0,2.0,14.0,3.0,11.5913009643555
InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29,3.0,8.0,16.0,-0.114100001752377,4.0,1.12999999523163,-0.857999980449677,0.0,0.0,29.1236000061035,9.0,0.0,2.0,6.0,0.0130188101902604
InChI%3D1S%2FC7H8%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3,1.0,7.0,15.0,1.84979999065399,0.0,2.23000001907349,2.47399997711182,6.0,6.0,35.2378005981445,0.0,0.0,0.0,6.0,3.42176008224487
InChI%3D1S%2FC19H27NO6%2Fc1-5-13-10-12%282%2919%283%2C24%2918%2823%2925-11-14-6-8-20%284%299-7-15%2816%2814%2921%2926-17%2813%2922%2Fh5-6%2C12%2C15%2C24H%2C7-11H2%2C1-4H3,1.0,27.0,53.0,0.391999989748001,0.0,2.77999997138977,1.02699995040894,0.0,0.0,94.714599609375,2.0,0.0,2.0,5.0,0.153663992881775
InChI%3D1S%2FC2H6N2O%2Fc1-3-4%282%295%2Fh1-2H3,0.0,4.0,11.0,-1.0025999546051,0.0,1.35000002384186,0.23199999332428,0.0,0.0,14.775899887085,5.0,0.0,0.0,3.0,1.00520670413971
InChI%3D1S%2FC14H19Cl2NO2%2Fc15-8-10-17%2811-9-16%2913-6-4-12%285-7-13%292-1-3-14%2818%2919%2Fh4-7H%2C1-3%2C8-11H2%2C%28H%2C18%2C19%29,1.0,19.0,38.0,1.87860000133514,9.0,2.45000004768372,3.21099996566772,6.0,6.0,81.5868988037109,7.0,0.0,4.0,7.0,3.52913784980774
InChI%3D1S%2FC9H8N4O2S%2Fc1-13%2812-15%299%2814%2911-8-10-6-4-2-3-5-7%286%2916-8%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%2C14%29,2.0,17.0,25.0,1.01590001583099,3.0,1.67999994754791,1.67499995231628,0.0,0.0,30.6247997283936,7.0,0.0,0.0,15.0,1.03205275535583
InChI%3D1S%2FC4H6N2S%2Fc1-6-3-2-5-4%286%297%2Fh2-3H%2C1H3%2C%28H%2C5%2C7%29,1.0,7.0,17.0,0.947700023651123,0.0,1.57000005245209,-0.0450000017881393,0.0,0.0,33.3986015319824,0.0,0.0,0.0,0.0,0.898135304450989
InChI%3D1S%2FC12H11NO2%2Fc1-13-12%2814%2915-11-8-4-6-9-5-2-3-7-10%289%2911%2Fh2-8H%2C1H3%2C%28H%2C13%2C14%29,1.0,16.0,26.0,1.73619997501373,2.0,2.45000004768372,2.29200005531311,10.0,11.0,63.7247009277344,5.0,0.0,0.0,14.0,3.01439046859741
InChI%3D1S%2FC7H6O3%2Fc8-5-1-2-6-7%283-5%2910-4-9-6%2Fh1-3%2C8H%2C4H2,1.0,11.0,16.0,-0.356000006198883,0.0,1.89999997615814,1.14199995994568,6.0,6.0,38.6888008117676,0.0,0.0,0.0,9.0,0.126736000180244
InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H,0.0,7.0,12.0,1.77209997177124,0.0,2.00999999046326,1.60399997234344,6.0,6.0,35.6720008850098,0.0,0.0,0.0,6.0,3.14033842086792
InChI%3D1S%2FC9H14N8S3%2Fc10-6-7%2817-20-16-6%2913-1-2-18-3-5-4-19-9%2814-5%2915-8%2811%2912%2Fh4H%2C1-3H2%2C%28H2%2C10%2C16%29%28H%2C13%2C17%29%28H4%2C11%2C12%2C14%2C15%29,8.0,21.0,42.0,-0.150399997830391,8.0,1.24000000953674,-0.250999987125397,0.0,0.0,83.9918975830078,5.0,1.0,2.0,4.0,0.0226201601326466
InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29,2.0,9.0,23.0,-0.479900002479553,5.0,1.67999994754791,-1.49500000476837,0.0,0.0,40.1720008850098,10.0,0.0,4.0,3.0,0.230304002761841
InChI%3D1S%2FC34H27N9O7S2%2Fc35-22-10-15-27%2826%2836%2918-22%2941-38-24-11-6-19%287-12-24%2920-8-13-25%2814-9-20%2940-42-32-28%2851%2845%2C46%2947%2916-21-17-29%2852%2848%2C49%2950%2933%2834%2844%2930%2821%2931%2832%2937%2943-39-23-4-2-1-3-5-23%2Fh1-18%2C39H%2C35-37H2%2C%28H%2C45%2C46%2C47%29%28H%2C48%2C49%2C50%29,6.0,57.0,79.0,-1.88810002803802,9.0,3.22000002861023,1.7610000371933,30.0,30.0,203.248397827148,3.0,2.0,0.0,52.0,3.56492161750793
InChI%3D1S%2FC19H29N5O2%2Fc1-23-19%2821-18%2815-25%2922-23%2920-9-6-12-26-17-8-5-7-16%2813-17%2914-24-10-3-2-4-11-24%2Fh5%2C7-8%2C13%2C25H%2C2-4%2C6%2C9-12%2C14-15H2%2C1H3%2C%28H%2C20%2C21%2C22%29,3.0,28.0,57.0,-1.80219995975494,8.0,2.77999997138977,1.05599999427795,6.0,6.0,99.2518005371094,5.0,0.0,3.0,7.0,3.2479248046875
InChI%3D1S%2FC9H16N2O2S2%2Fc14-9%2810-1-5-12-6-2-10%2915-11-3-7-13-8-4-11%2Fh1-8H2,0.0,16.0,31.0,1.17110002040863,3.0,1.78999996185303,0.188999995589256,0.0,0.0,67.0607986450195,3.0,0.0,0.0,3.0,1.37147521972656
InChI%3D1S%2FC5H8%2Fc1-4-5%282%293%2Fh4H%2C1-2H2%2C3H3,0.0,4.0,13.0,1.8614000082016,1.0,2.00999999046326,2.34800004959106,0.0,0.0,24.5764007568359,5.0,0.0,4.0,4.0,3.46480989456177
InChI%3D1S%2FC16H23NO6%2Fc1-9-13%2818%2923-11-5-7-17-6-4-10%2812%2811%2917%298-22-14%2819%2916%283%2C21%2915%289%2C2%2920%2Fh4%2C9%2C11-12%2C20-21H%2C5-8H2%2C1-3H3,2.0,25.0,46.0,-0.567399978637695,0.0,2.45000004768372,0.0179999992251396,0.0,0.0,78.9782028198242,0.0,0.0,0.0,3.0,0.321942746639252
InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3,0.0,10.0,23.0,1.54589998722076,0.0,2.33999991416931,1.5,6.0,6.0,47.3516006469727,0.0,0.0,0.0,7.0,2.38980674743652
InChI%3D1S%2FC4H6O2%2Fc1-3-6-4%282%295%2Fh3H%2C1H2%2C2H3,0.0,5.0,12.0,0.10530000180006,2.0,1.67999994754791,0.694000005722046,0.0,0.0,21.1049995422363,6.0,0.0,2.0,5.0,0.0110880900174379
InChI%3D1S%2FC6H9NO6%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29,3.0,12.0,22.0,-1.31159996986389,6.0,1.35000002384186,-1.79100000858307,0.0,0.0,38.2419013977051,13.0,0.0,2.0,3.0,1.72029459476471
InChI%3D1S%2FC11H10N4%2Fc1-7-3-2-6-15-10%287%2913-8-4-5-9%2812%2914-11%288%2915%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29,3.0,17.0,35.0,-0.810400009155273,0.0,2.23000001907349,1.15900003910065,0.0,0.0,52.7211990356445,0.0,0.0,0.0,3.0,0.656748175621033
InChI%3D1S%2FC4H7F3N2O%2Fc1-2-9%288-10%293-4%285%2C6%297%2Fh2-3H2%2C1H3,0.0,9.0,17.0,1.34860002994537,4.0,1.24000000953674,1.57299995422363,0.0,0.0,29.7943992614746,10.0,0.0,2.0,3.0,1.81872200965881
InChI%3D1S%2FC6H12N2O3%2Fc1-8%282%297-5%289%293-4-6%2810%2911%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C9%29%28H%2C10%2C11%29,2.0,10.0,23.0,-0.034000001847744,4.0,1.57000005245209,-0.247999995946884,0.0,0.0,39.0854988098145,11.0,0.0,4.0,4.0,0.00115599995478988
InChI%3D1S%2FC11H17F3N6O%2Fc12-11%2813%2C14%297-17-10%2816%2918-9-4-6-20%2819-9%295-2-1-3-8%2815%2921%2Fh4%2C6H%2C1-3%2C5%2C7H2%2C%28H2%2C15%2C21%29%28H3%2C16%2C17%2C18%2C19%29,5.0,21.0,40.0,-0.522899985313416,9.0,1.57000005245209,1.34500002861023,0.0,0.0,64.0654983520508,9.0,0.0,5.0,7.0,0.273424416780472
InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,1.0,10.0,13.0,1.94640004634857,0.0,1.67999994754791,2.46600008010864,6.0,6.0,46.7098999023438,0.0,0.0,0.0,7.0,3.78847289085388
InChI%3D1S%2FC3H4O2%2Fc4-3-1-2-5-3%2Fh1-2H2,0.0,5.0,9.0,-0.0447000004351139,0.0,1.57000005245209,-0.138999998569489,0.0,0.0,15.5530996322632,0.0,0.0,0.0,3.0,0.00199808995239437
InChI%3D1S%2FC12H11N3%2Fc1-7-6-9-8-4-2-3-5-10%288%2914-12%289%2915-11%287%2913%2Fh2-6H%2C1H3%2C%28H3%2C13%2C14%2C15%29,3.0,17.0,30.0,0.0472999997437,0.0,2.45000004768372,1.28199994564056,6.0,6.0,61.2617988586426,0.0,0.0,0.0,7.0,0.00223728991113603
InChI%3D1S%2FC14H15N3O2%2Fc1-14%282%299-7-8%283-4-11%289%2915-13%2814%2919%2910-5-6-12%2818%2917-16-10%2Fh3-4%2C7H%2C5-6H2%2C1-2H3%2C%28H%2C15%2C19%29%28H%2C17%2C18%29,2.0,21.0,32.0,1.46519994735718,1.0,2.45000004768372,1.80200004577637,12.0,12.0,75.1922988891602,0.0,0.0,0.0,16.0,2.14681100845337
InChI%3D1S%2FC21H28O5%2Fc1-19-7-5-13%2823%299-12%2819%293-4-14-15-6-8-21%2826%2C17%2825%2911-22%2920%2815%2C2%2910-16%2824%2918%2814%2919%2Fh5%2C7%2C9%2C14-16%2C18%2C22%2C24%2C26H%2C3-4%2C6%2C8%2C10-11H2%2C1-2H3,3.0,29.0,54.0,-0.857699990272522,2.0,3.22000002861023,1.02100002765656,0.0,0.0,97.1956024169922,4.0,0.0,2.0,6.0,0.735649287700653
InChI%3D1S%2FC12H9N3O3S%2Fc16-12-7-3-1-2-4-8%287%2913-11%2814-12%299-5-6-10%2819-9%2915%2817%2918%2Fh1-6%2C11%2C13H%2C%28H%2C14%2C16%29,1.0,21.0,27.0,-0.380899995565414,2.0,2.00999999046326,3.32699990272522,10.0,11.0,25.6646995544434,2.0,0.0,0.0,18.0,0.14508481323719
InChI%3D1S%2FC16H14N4O3S%2Fc21-20%2822%2914-6-5-13%2824-14%2915-17-12-4-2-1-3-11%2812%2916%2818-15%2919-7-9-23-10-8-19%2Fh1-6H%2C7-10H2,0.0,27.0,39.0,0.449499994516373,3.0,2.33999991416931,3.39000010490417,10.0,11.0,34.0452003479004,3.0,0.0,0.0,18.0,0.202050253748894
InChI%3D1S%2FC2H5NO2%2Fc3-1-2%284%295%2Fh1%2C3H2%2C%28H%2C4%2C5%29,2.0,4.0,10.0,-1.19149994850159,1.0,1.35000002384186,-3.34999990463257,0.0,0.0,16.0034008026123,5.0,0.0,2.0,3.0,1.41967225074768
InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3,1.0,10.0,18.0,0.0841000005602837,1.0,1.46000003814697,0.834999978542328,5.0,5.0,55.7243003845215,2.0,0.0,0.0,8.0,0.0070728100836277
InChI%3D1S%2FC10HCl11%2Fc11-2-1-3%2812%295%2814%294%281%2C13%2910%2820%2C21%297%282%2C16%298%285%2C17%296%282%2C15%299%283%2C18%2919%2Fh1H,0.0,25.0,22.0,5.35629987716675,0.0,1.35000002384186,5.97900009155273,0.0,0.0,88.0130996704102,0.0,1.0,0.0,0.0,28.6899490356445
InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3,0.0,4.0,11.0,0.0908000022172928,1.0,1.35000002384186,-0.275000005960464,0.0,0.0,20.050500869751,5.0,0.0,0.0,3.0,0.0082446401938796
InChI%3D1S%2FC6H18N3OP%2Fc1-7%282%2911%2810%2C8%283%294%299%285%296%2Fh1-6H3,0.0,10.0,29.0,-1.11600005626678,3.0,1.57000005245209,-0.560999989509583,0.0,0.0,48.6383018493652,11.0,0.0,0.0,5.0,1.2454559803009
InChI%3D1S%2FC6H10N6O%2Fc1-12%282%2911-10-6-4%285%287%2913%298-3-9-6%2Fh3H%2C1-2H3%2C%28H2%2C7%2C13%29%28H%2C8%2C9%29,3.0,13.0,27.0,-1.93599998950958,3.0,1.35000002384186,-1.98099994659424,0.0,0.0,43.4147987365723,5.0,0.0,0.0,3.0,3.74809598922729
InChI%3D1S%2FC35H45Cl2NO6%2Fc1-33-14-12-26%2839%2920-24%2833%298-11-27-28-13-15-35%2843%2C34%2828%2C2%2921-29%2840%2932%2827%2933%2930%2841%2922-44-31%2842%295-3-4-23-6-9-25%2810-7-23%2938%2818-16-36%2919-17-37%2Fh6-7%2C9-10%2C12%2C14%2C20%2C27-29%2C32%2C40%2C43H%2C3-5%2C8%2C11%2C13%2C15-19%2C21-22H2%2C1-2H3,2.0,48.0,89.0,1.6298999786377,13.0,4.32000017166138,4.6230001449585,6.0,6.0,175.290298461914,9.0,1.0,4.0,7.0,2.656574010849
InChI%3D1S%2FC8Cl4N2%2Fc9-5-3%281-13%296%2810%298%2812%297%2811%294%285%292-14,0.0,14.0,14.0,2.55640006065369,0.0,1.67999994754791,2.40599989891052,6.0,6.0,59.7775993347168,2.0,0.0,0.0,10.0,6.53518104553223
InChI%3D1S%2FC6H14N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh5-6%2C9-10H%2C3-4H2%2C1-2H3,2.0,10.0,25.0,-1.00940001010895,5.0,1.57000005245209,-0.773000001907349,0.0,0.0,41.8039016723633,11.0,0.0,3.0,3.0,1.01888835430145
InChI%3D1S%2FC12H9NO2%2Fc14-13%2815%2911-7-6-9-5-4-8-2-1-3-10%2811%2912%288%299%2Fh1-3%2C6-7H%2C4-5H2,1.0,17.0,26.0,0.0781999975442886,1.0,2.45000004768372,4.86499977111816,6.0,6.0,12.6166000366211,3.0,0.0,0.0,9.0,0.00611524004489183
InChI%3D1S%2FC5H10ClN3O3%2Fc6-1-2-7-5%2811%299%288-12%293-4-10%2Fh10H%2C1-4H2%2C%28H%2C7%2C11%29,2.0,11.0,22.0,0.429199993610382,6.0,1.24000000953674,-0.291000008583069,0.0,0.0,43.9767990112305,12.0,0.0,2.0,6.0,0.184212639927864
InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29,2.0,5.0,13.0,0.821900010108948,2.0,1.46000003814697,0.9200000166893,0.0,0.0,19.8181991577148,6.0,0.0,2.0,4.0,0.675519585609436
InChI%3D1S%2FC4H8O%2Fc1-2-4-3-5-4%2Fh4H%2C2-3H2%2C1H3,0.0,5.0,13.0,-0.42960000038147,1.0,1.78999996185303,0.628000020980835,0.0,0.0,18.5394992828369,2.0,0.0,2.0,0.0,0.184556156396866
InChI%3D1S%2FC18H18Cl2N2O3%2Fc1-24-15-7-6-11%288-16%2815%2925-12-4-2-3-5-12%2918%2823%2922-17-13%2819%299-21-10-14%2817%2920%2Fh6-10%2C12H%2C2-5H2%2C1H3%2C%28H%2C21%2C22%2C23%29,1.0,27.0,47.0,-1.19219994544983,5.0,2.67000007629395,2.28600001335144,6.0,6.0,94.3161010742188,3.0,0.0,0.0,12.0,1.42134082317352
InChI%3D1S%2FC6H6N2O2%2Fc9-7-5-1-2-6%288-10%294-3-5%2Fh1-4%2C7%2C9H,2.0,10.0,16.0,-0.394199997186661,2.0,1.67999994754791,0.319999992847443,6.0,6.0,36.918701171875,2.0,0.0,0.0,10.0,0.155393645167351
InChI%3D1S%2FC4H6N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-2H%2C3-4H2,0.0,8.0,14.0,0.223100006580353,1.0,1.46000003814697,0.449000000953674,0.0,0.0,30.0191993713379,2.0,0.0,0.0,4.0,0.0497736111283302
InChI%3D1S%2FC21H16%2Fc1-13-6-7-15-12-20-17-5-3-2-4-14%2817%298-9-18%2820%2919-11-10-16%2813%2921%2815%2919%2Fh2-9%2C12H%2C10-11H2%2C1H3,0.0,25.0,37.0,3.21659994125366,0.0,3.76999998092651,6.13399982452393,18.0,21.0,97.119400024414,0.0,1.0,0.0,18.0,10.3465156555176
InChI%3D1S%2FC7H7N3O2%2Fc1-10%289-12%297-4-2-6%288-11%293-5-7%2Fh2-5H%2C1H3,0.0,12.0,19.0,0.474999994039536,3.0,1.67999994754791,0.275000005960464,6.0,6.0,45.407901763916,4.0,0.0,0.0,11.0,0.225624993443489
InChI%3D1S%2FC12H13N3O2%2Fc16-9-7-8%2813-1-2-13%2912%2817%2911%2815-5-6-15%2910%289%2914-3-4-14%2Fh7H%2C1-6H2,0.0,20.0,30.0,-0.929899990558624,3.0,2.23000001907349,0.744000017642975,0.0,0.0,66.2043991088867,0.0,0.0,0.0,11.0,0.864714026451111
InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3,0.0,9.0,24.0,1.23570001125336,5.0,2.11999988555908,2.18600010871887,0.0,0.0,39.9681015014648,10.0,0.0,4.0,3.0,1.52695453166962
InChI%3D1S%2FC9H4F3N3O4S%2Fc10-9%2811%2C12%297%2816%2914-8-13-4%283-20-8%295-1-2-6%2819-5%2915%2817%2918%2Fh1-3H%2C%28H%2C13%2C14%2C16%29,1.0,21.0,24.0,1.40639996528625,4.0,1.24000000953674,2.45199990272522,10.0,10.0,27.209400177002,7.0,0.0,2.0,16.0,1.97796094417572
InChI%3D1S%2FC9H8Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-2%2C5-6H%2C3-4H2,0.0,17.0,24.0,3.23449993133545,2.0,1.67999994754791,2.26799988746643,0.0,0.0,68.1818008422852,5.0,0.0,0.0,5.0,10.4619903564453
InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3,1.0,2.0,9.0,-0.107600003480911,0.0,1.57000005245209,-0.0759999975562096,0.0,0.0,12.555100440979,3.0,0.0,2.0,0.0,0.0115777598693967
InChI%3D1S%2FC18H23NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C14-15%2C20%2C23H%2C2%2C5-10H2%2C1H3,2.0,27.0,48.0,0.235100001096725,1.0,2.67000007629395,0.137999996542931,0.0,0.0,88.9273986816406,2.0,0.0,2.0,5.0,0.0552720092236996
InChI%3D1S%2FC12H12N2%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C13-14H2,2.0,15.0,26.0,0.0221999995410442,1.0,2.55999994277954,0.824000000953674,12.0,12.0,66.5709991455078,0.0,0.0,0.0,14.0,0.000492840015795082
InChI%3D1S%2FC32H24N6O16S4%2Fc33-19-11-17%2855%2843%2C44%2945%295-15-9-25%2857%2849%2C50%2951%2929%2831%2841%2927%2815%2919%2937-35-21-3-1-13%287-23%2821%2939%2914-2-4-22%2824%2840%298-14%2936-38-30-26%2858%2852%2C53%2954%2910-16-6-18%2856%2846%2C47%2948%2912-20%2834%2928%2816%2932%2830%2942%2Fh1-12%2C35-36%2C39-40H%2C33-34H2%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29,10.0,63.0,82.0,-4.57040023803711,9.0,2.11999988555908,-2.71399998664856,24.0,24.0,217.592407226562,3.0,2.0,0.0,58.0,20.8885555267334
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%2C21-22H2,3.0,24.0,39.0,0.715399980545044,2.0,3.22000002861023,1.83599996566772,12.0,12.0,101.539497375488,0.0,0.0,0.0,22.0,0.511797189712524
InChI%3D1S%2FC5H9NO%2Fc7-6-5-3-1-2-4-5%2Fh7H%2C1-4H2,1.0,7.0,16.0,-0.728299975395203,0.0,1.78999996185303,0.593999981880188,0.0,0.0,23.8024997711182,2.0,0.0,0.0,3.0,0.530420899391174
InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,2.0,16.0,27.0,-0.634299993515015,2.0,2.45000004768372,0.757000029087067,12.0,12.0,69.2856979370117,0.0,0.0,0.0,15.0,0.402336478233337
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%2C1H3,1.0,18.0,27.0,-0.327399998903275,1.0,2.55999994277954,1.4539999961853,13.0,15.0,69.9392013549805,2.0,0.0,0.0,15.0,0.107190757989883
InChI%3D1S%2FC12H10N2O%2Fc15-13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,0.0,16.0,25.0,1.79939997196198,3.0,2.45000004768372,1.51699995994568,12.0,12.0,69.2240982055664,3.0,0.0,0.0,15.0,3.23784041404724
InChI%3D1S%2FC10H10N2%2Fc11-9-5-1-3-7-8%289%294-2-6-10%287%2912%2Fh1-6H%2C11-12H2,2.0,13.0,22.0,-0.445600003004074,0.0,2.33999991416931,0.129999995231628,10.0,11.0,56.2523994445801,0.0,0.0,0.0,12.0,0.198559358716011
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3,1.0,5.0,15.0,-0.125900000333786,1.0,1.67999994754791,0.680999994277954,0.0,0.0,24.7532005310059,6.0,0.0,4.0,3.0,0.0158508103340864
InChI%3D1S%2FC17H20N2O%2Fc1-18%282%2915-9-5-13%286-10-15%2917%2820%2914-7-11-16%2812-8-14%2919%283%294%2Fh5-12H%2C1-4H3,0.0,21.0,40.0,1.69379997253418,4.0,3.0,2.06800007820129,12.0,12.0,92.0556030273438,3.0,0.0,0.0,16.0,2.86895847320557
InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3,0.0,2.0,7.0,-0.182500004768372,0.0,1.57000005245209,0.333999991416931,0.0,0.0,11.7182998657227,3.0,0.0,2.0,1.0,0.033306248486042
InChI%3D1S%2FC2H3Cl2F%2Fc1-2%283%2C4%295%2Fh1H3,0.0,4.0,8.0,1.83259999752045,0.0,1.35000002384186,2.33200001716614,0.0,0.0,21.3824996948242,5.0,0.0,2.0,0.0,3.35842275619507
InChI%3D1S%2FC8H18N2O2%2Fc1-2-3-6-10%289-12%297-4-5-8-11%2Fh11H%2C2-8H2%2C1H3,1.0,11.0,30.0,-1.63999998569489,8.0,1.89999997615814,1.08200001716614,0.0,0.0,42.9034004211426,12.0,0.0,4.0,3.0,2.68959999084473
InChI%3D1S%2FC12H19N3O%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29,3.0,16.0,35.0,-0.297300010919571,6.0,2.33999991416931,1.24899995326996,6.0,6.0,68.1613006591797,6.0,0.0,0.0,9.0,0.0883872881531715
InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3,0.0,9.0,20.0,1.17439997196198,1.0,2.23000001907349,1.56099998950958,6.0,6.0,44.5749015808105,3.0,0.0,0.0,7.0,1.37921535968781
InChI%3D1S%2FC12H8O4%2Fc1-14-12-10-8%284-5-15-10%296-7-2-3-9%2813%2916-11%287%2912%2Fh2-6H%2C1H3,0.0,18.0,28.0,-0.260800004005432,1.0,2.33999991416931,0.837999999523163,6.0,6.0,60.3039016723633,2.0,0.0,0.0,11.0,0.0680166408419609
InChI%3D1S%2FC4H7N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2H%2C1%2C3H2%2C%28H2%2C5%2C8%29,2.0,8.0,16.0,1.04209995269775,4.0,1.35000002384186,0.465999990701675,0.0,0.0,31.9939994812012,9.0,0.0,3.0,6.0,1.08597242832184
InChI%3D1S%2FC5H10N2O3%2Fc1-3-7%286-9%295%288%2910-4-2%2Fh3-4H2%2C1-2H3,0.0,9.0,20.0,1.01890003681183,5.0,1.46000003814697,0.732999980449677,0.0,0.0,34.9309005737305,10.0,0.0,2.0,6.0,1.03815722465515
InChI%3D1S%2FC10H10N4O3S%2Fc1-6%282%2912-13-10-11-7%285-18-10%298-3-4-9%2817-8%2914%2815%2916%2Fh3-5H%2C1-2H3%2C%28H%2C11%2C13%29,1.0,19.0,28.0,-0.116300001740456,4.0,1.67999994754791,3.02099990844727,10.0,10.0,33.0503005981445,5.0,0.0,3.0,16.0,0.0135256899520755
InChI%3D1S%2FC20H18ClNO6%2Fc1-10-7-12-14%2821%299-13%2817%2823%2916%2812%2920%2827%2928-10%2918%2824%2922-15%2819%2825%2926%298-11-5-3-2-4-6-11%2Fh2-6%2C9-10%2C15%2C23H%2C7-8H2%2C1H3%2C%28H%2C22%2C24%29%28H%2C25%2C26%29,3.0,30.0,46.0,1.38610005378723,5.0,2.77999997138977,2.51600003242493,12.0,12.0,107.690498352051,8.0,0.0,3.0,13.0,1.92127323150635
InChI%3D1S%2FC4H10N2O3%2Fc1-6%285-9%292-4%288%293-7%2Fh4%2C7-8H%2C2-3H2%2C1H3,2.0,8.0,19.0,-0.959299981594086,4.0,1.35000002384186,-1.65600001811981,0.0,0.0,32.3053016662598,9.0,0.0,3.0,3.0,0.920256495475769
InChI%3D1S%2FC11H11N5%2Fc1-6-5-13-7-3-4-8-10%289%287%2914-6%2915-11%2812%2916%288%292%2Fh3-5H%2C1-2H3%2C%28H2%2C12%2C15%29,2.0,18.0,27.0,-0.32039999961853,0.0,2.11999988555908,1.47300004959106,10.0,11.0,64.7283020019531,0.0,0.0,0.0,14.0,0.102656163275242
InChI%3D1S%2FC5H10Br2O2%2Fc6-1-5%282-7%2C3-8%294-9%2Fh8-9H%2C1-4H2,0.0,8.0,19.0,0.533599972724915,4.0,1.57000005245209,1.20200002193451,0.0,0.0,43.7966995239258,9.0,0.0,3.0,0.0,0.284728974103928
InChI%3D1S%2FC16H16N4O4S%2Fc21-9-7-19%288-10-22%2916-11-3-1-2-4-12%2811%2917-15%2818-16%2913-5-6-14%2825-13%2920%2823%2924%2Fh1-6%2C21-22H%2C7-10H2,2.0,27.0,42.0,-0.31700000166893,7.0,2.23000001907349,2.37199997901917,10.0,11.0,37.5553016662598,7.0,0.0,2.0,18.0,0.100488997995853
InChI%3D1S%2FC6H4N4O4%2Fc7-6-9-8-5%2814-6%293-1-2-4%2813-3%2910%2811%2912%2Fh1-2H%2C%28H2%2C7%2C9%29,3.0,15.0,20.0,-0.414700001478195,2.0,1.24000000953674,1.59899997711182,5.0,5.0,21.0323009490967,2.0,0.0,0.0,8.0,0.171976089477539
InChI%3D1S%2FC8H8N4O4%2Fc13-8-9-3-4-11%288%2910-5-6-1-2-7%2816-6%2912%2814%2915%2Fh1-2%2C5H%2C3-4H2%2C%28H%2C9%2C13%29,1.0,17.0,24.0,-0.510399997234344,3.0,1.46000003814697,1.52999997138977,5.0,5.0,32.2709999084473,2.0,0.0,0.0,14.0,0.260508149862289
InChI%3D1S%2FC21H27NO7%2Fc1-6-15-11-13%282%2921%284%2C29-14%283%2923%2920%2826%2927-12-16-7-9-22%285%2910-8-17%2818%2816%2924%2928-19%2815%2925%2Fh6-7%2C11%2C13%2C17H%2C1%2C8-10%2C12H2%2C2-5H3,0.0,30.0,56.0,0.717899978160858,3.0,2.89000010490417,1.22800004482269,0.0,0.0,103.52619934082,4.0,0.0,2.0,7.0,0.515380382537842
InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2,0.0,3.0,7.0,0.635500013828278,0.0,1.67999994754791,0.319999992847443,0.0,0.0,16.2707004547119,4.0,0.0,3.0,4.0,0.403860241174698
InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,0.0,4.0,10.0,1.78369998931885,1.0,1.78999996185303,1.68900001049042,0.0,0.0,25.0105991363525,5.0,0.0,4.0,4.0,3.18158578872681
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%29,2.0,15.0,21.0,0.392899990081787,2.0,1.46000003814697,1.60199999809265,5.0,5.0,29.1082000732422,2.0,0.0,0.0,8.0,0.154370412230492
InChI%3D1S%2FC7H9NO%2Fc1-9-7-5-3-2-4-6%287%298%2Fh2-5H%2C8H2%2C1H3,1.0,9.0,18.0,-0.291900008916855,1.0,2.00999999046326,0.564000010490417,6.0,6.0,41.1491012573242,2.0,0.0,0.0,8.0,0.0852056071162224
InChI%3D1S%2FC9H18N6O6%2Fc16-1-13%282-17%297-10-8%2814%283-18%294-19%2912-9%2811-7%2915%285-20%296-21%2Fh16-21H%2C1-6H2,6.0,21.0,39.0,-4.54199981689453,9.0,1.12999999523163,-3.11100006103516,6.0,6.0,66.2901000976562,5.0,2.0,0.0,9.0,20.6297645568848
InChI%3D1S%2FC15H15N3O2%2Fc1-10-3-8-15%2820%2914%289-10%2918-17-13-6-4-12%285-7-13%2916-11%282%2919%2Fh3-9%2C17H%2C1-2H3%2C%28H%2C16%2C19%29,2.0,21.0,35.0,0.81690001487732,3.0,2.55999994277954,1.78699994087219,6.0,6.0,83.5300979614258,4.0,0.0,2.0,18.0,0.667325615882874
InChI%3D1S%2FC13H28N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-15%282%2914-16%2Fh3-13H2%2C1-2H3,0.0,15.0,44.0,-2.82859992980957,12.0,2.55999994277954,5.6269998550415,0.0,0.0,54.0806999206543,16.0,2.0,12.0,3.0,8.00097751617432
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,0.0,3.0,8.0,1.51180005073547,1.0,1.46000003814697,1.74000000953674,0.0,0.0,20.6555995941162,4.0,0.0,2.0,0.0,2.28553915023804
InChI%3D1S%2FC13H14O5%2Fc1-5-7%283%2918-4-8-9%285%296%282%2911%2814%2910%2812%288%2915%2913%2816%2917%2Fh4-5%2C7%2C16-17H%2C1-3H3,2.0,19.0,32.0,-0.0286999996751547,0.0,2.33999991416931,2.54999995231628,0.0,0.0,63.5586013793945,2.0,0.0,0.0,13.0,0.000823689973913133
InChI%3D1S%2FC14H8O5%2Fc15-8-5-9%2816%2914%2819%2911-10%288%2912%2817%296-3-1-2-4-7%286%2913%2811%2918%2Fh1-5%2C15-16%2C19H,3.0,21.0,27.0,-0.192499995231628,0.0,2.45000004768372,0.976000010967255,12.0,12.0,72.5397033691406,0.0,0.0,0.0,19.0,0.0370562486350536
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%29,2.0,17.0,25.0,-0.172900006175041,0.0,2.23000001907349,1.74300003051758,10.0,11.0,62.4096984863281,0.0,0.0,0.0,14.0,0.0298944097012281
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%2C1-3H3,0.0,22.0,44.0,0.238000005483627,7.0,2.89000010490417,1.04499995708466,12.0,12.0,93.3411026000977,7.0,0.0,2.0,7.0,0.0566440001130104
InChI%3D1S%2FC12H6Cl4%2Fc13-7-1-3-9%2811%2815%295-7%2910-4-2-8%2814%296-12%2810%2916%2Fh1-6H,0.0,17.0,22.0,3.89039993286133,1.0,2.33999991416931,3.69400000572205,12.0,12.0,78.3361968994141,0.0,0.0,0.0,12.0,15.1352119445801
InChI%3D1S%2FC18H25NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C11%2C14-15%2C20%2C23H%2C5-10H2%2C1-2H3,2.0,27.0,50.0,-0.278400003910065,1.0,2.67000007629395,0.5,0.0,0.0,88.6892013549805,2.0,0.0,2.0,5.0,0.0775065571069717
InChI%3D1S%2FC5H8N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-2H%2C3-5H2,0.0,8.0,16.0,0.089199997484684,1.0,1.67999994754791,0.501999974250793,0.0,0.0,31.3117008209229,2.0,0.0,0.0,3.0,0.00795663986355066
InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920-3%2921-15-10-6-13%287-11-15%2912-4-8-14%2818%299-5-12%2Fh4-11H%2C1-3H3,0.0,22.0,38.0,2.78870010375977,5.0,2.89000010490417,2.96399998664856,12.0,12.0,90.8908004760742,8.0,0.0,3.0,13.0,7.77684783935547
InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29,2.0,10.0,17.0,-1.230299949646,2.0,1.67999994754791,-0.570999979972839,6.0,6.0,12.7256002426147,4.0,0.0,0.0,10.0,1.51363813877106
InChI%3D1S%2FC39H41N3O6S2%2Fc1-5-41%2827-29-9-7-11-37%2825-29%2949%2843%2C44%2945%2935-21-15-32%2816-22-35%2939%2831-13-19-34%2820-14-31%2940%283%294%2933-17-23-36%2824-18-33%2942%286-2%2928-30-10-8-12-38%2826-30%2950%2846%2C47%2948%2Fh7-26H%2C5-6%2C27-28H2%2C1-4H3%2C%28H-%2C43%2C44%2C45%2C46%2C47%2C48%29%2Fp%2B1,2.0,54.0,92.0,1.36240005493164,12.0,4.53999996185303,2.83800005912781,24.0,24.0,216.395294189453,4.0,1.0,2.0,22.0,1.8561338186264
InChI%3D1S%2FC18H25NO7%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2925-9-13-4-6-19%2824%297-5-14%2815%2813%2919%2926-16%2812%2921%2Fh3-4%2C11%2C14-15%2C20%2C23H%2C5-10H2%2C1-2H3,2.0,28.0,51.0,-0.875400006771088,1.0,2.55999994277954,-1.13999998569489,0.0,0.0,86.7670974731445,2.0,0.0,2.0,5.0,0.766325175762177
InChI%3D1S%2FC20H14N2O10S3%2Fc23-16-7-5-11-9-12%2833%2824%2C25%2926%2910-18%2835%2830%2C31%2932%2919%2811%2920%2816%2922-21-15-6-8-17%2834%2827%2C28%2929%2914-4-2-1-3-13%2814%2915%2Fh1-10%2C21H%2C%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%28H%2C30%2C31%2C32%29,4.0,38.0,49.0,-0.880400002002716,5.0,2.00999999046326,-1.82099997997284,16.0,17.0,133.229995727539,3.0,1.0,0.0,35.0,0.775104165077209
InChI%3D1S%2FC8H8O%2Fc1-2-4-7%285-3-1%298-6-9-8%2Fh1-5%2C8H%2C6H2,0.0,10.0,17.0,1.01489996910095,1.0,2.23000001907349,1.00499999523163,6.0,6.0,39.464900970459,0.0,0.0,0.0,6.0,1.03002202510834
InChI%3D1S%2FC8H14ClN5%2Fc1-4-10-7-12-6%289%2913-8%2814-7%2911-5%282%293%2Fh5H%2C4H2%2C1-3H3%2C%28H2%2C10%2C11%2C12%2C13%2C14%29,3.0,14.0,30.0,0.658900022506714,2.0,1.67999994754791,2.18400001525879,0.0,0.0,54.185001373291,4.0,0.0,2.0,7.0,0.434149205684662
InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2,4.0,11.0,24.0,-0.241999998688698,5.0,1.46000003814697,-0.272000014781952,0.0,0.0,50.472599029541,12.0,0.0,6.0,0.0,0.0585639998316765
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3,1.0,9.0,17.0,0.341699987649918,1.0,2.00999999046326,0.975000023841858,6.0,6.0,39.2047996520996,2.0,0.0,0.0,8.0,0.116758890450001
InChI%3D1S%2FC16H12ClNO2%2Fc1-2-16%2820-15%2818%2919%2C12-6-4-3-5-7-12%2913-8-10-14%2817%2911-9-13%2Fh1%2C3-11H%2C%28H2%2C18%2C19%29,2.0,21.0,32.0,3.7335000038147,4.0,2.77999997138977,3.01500010490417,12.0,12.0,84.0824966430664,7.0,0.0,3.0,6.0,13.939022064209
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3,0.0,4.0,12.0,1.8507000207901,0.0,1.78999996185303,1.71300005912781,0.0,0.0,24.7329006195068,5.0,0.0,3.0,2.0,3.42509055137634
InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3,0.0,10.0,29.0,-1.13999998569489,7.0,2.00999999046326,2.42499995231628,0.0,0.0,41.5252990722656,11.0,0.0,4.0,3.0,1.29960000514984
InChI%3D1S%2FC4H10O3%2Fc5-1-3-7-4-2-6%2Fh5-6H%2C1-4H2,2.0,6.0,17.0,-1.02830004692078,4.0,1.57000005245209,-1.39800000190735,0.0,0.0,25.5970993041992,7.0,0.0,2.0,0.0,1.05740094184875
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,2.0,11.0,20.0,0.321799993515015,1.0,2.00999999046326,0.61599999666214,6.0,6.0,45.7897987365723,4.0,0.0,2.0,10.0,0.103555239737034
InChI%3D1S%2FC6H12ClN3O3%2Fc1-4%2811%293-8-6%2812%2910%289-13%295%282%297%2Fh4-5%2C11H%2C3H2%2C1-2H3%2C%28H%2C8%2C12%29,2.0,12.0,25.0,0.657999992370605,5.0,1.35000002384186,0.270999997854233,0.0,0.0,48.0792007446289,13.0,0.0,3.0,6.0,0.432963997125626
InChI%3D1S%2FC10H13NO2%2Fc1-3-13-10-6-4-9%285-7-10%2911-8%282%2912%2Fh4-7H%2C3H2%2C1-2H3%2C%28H%2C11%2C12%29,1.0,13.0,26.0,0.636699974536896,3.0,2.23000001907349,1.36000001430511,6.0,6.0,55.1216011047363,4.0,0.0,2.0,10.0,0.40538689494133
InChI%3D1S%2FC14H18ClNO4S%2Fc1-9-5-10%282%298-16%287-9%2921%2819%2C20%2911-3-4-13%2815%2912%286-11%2914%2817%2918%2Fh3-4%2C6%2C9-10H%2C5%2C7-8H2%2C1-2H3%2C%28H%2C17%2C18%29,1.0,22.0,39.0,0.30579999089241,3.0,2.23000001907349,1.42700004577637,6.0,6.0,83.5009002685547,2.0,0.0,0.0,13.0,0.0935136377811432
InChI%3D1S%2FC11H23NO2%2Fc12-10-8-6-4-2-1-3-5-7-9-11%2813%2914%2Fh1-10%2C12H2%2C%28H%2C13%2C14%29,2.0,13.0,37.0,-3.24729990959167,10.0,2.33999991416931,2.89299988746643,0.0,0.0,43.9956016540527,14.0,0.0,11.0,3.0,10.5449571609497
InChI%3D1S%2FC14H15N3%2Fc1-17%282%2914-10-8-13%289-11-14%2916-15-12-6-4-3-5-7-12%2Fh3-11H%2C1-2H3,0.0,18.0,32.0,1.68420004844666,3.0,2.67000007629395,3.12299990653992,12.0,12.0,74.1860961914062,3.0,0.0,0.0,15.0,2.83652973175049
InChI%3D1S%2FC6H3N3O5%2Fc10-6-8-7-5%2814-6%293-1-2-4%2813-3%299%2811%2912%2Fh1-2H%2C%28H%2C8%2C10%29,0.0,15.0,17.0,-0.815100014209747,2.0,1.24000000953674,0.672999978065491,10.0,10.0,8.68859958648682,2.0,0.0,0.0,14.0,0.664388000965118
InChI%3D1S%2FC6H8N2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C7-8H2,2.0,8.0,16.0,-0.990000009536743,0.0,1.89999997615814,-0.167999997735023,6.0,6.0,38.0554008483887,0.0,0.0,0.0,8.0,0.980099976062775
InChI%3D1S%2FC23H31NO2%2Fc1-6-22%2826-19%283%2925%2923%2817-18%282%2924%284%295%2C20-13-9-7-10-14-20%2921-15-11-8-12-16-21%2Fh7-16%2C18%2C22H%2C6%2C17H2%2C1-5H3,0.0,27.0,57.0,1.95860004425049,9.0,3.66000008583069,4.98299980163574,12.0,12.0,114.469596862793,14.0,0.0,7.0,6.0,3.83611392974854
InChI%3D1S%2FC5H11N3O2%2Fc1-4%282%293-8%287-10%295%286%299%2Fh4H%2C3H2%2C1-2H3%2C%28H2%2C6%2C9%29,2.0,9.0,21.0,0.90750002861023,4.0,1.46000003814697,0.92900002002716,0.0,0.0,36.1146011352539,10.0,0.0,3.0,6.0,0.823556244373322
InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H,0.0,7.0,11.0,-0.346500009298325,1.0,1.78999996185303,1.057000041008,5.0,5.0,7.91300010681152,2.0,0.0,0.0,7.0,0.120062246918678
InChI%3D1S%2FC13H18Cl2N2O2%2Fc14-5-7-17%288-6-15%2911-3-1-10%282-4-11%299-12%2816%2913%2818%2919%2Fh1-4%2C12H%2C5-9%2C16H2%2C%28H%2C18%2C19%29,2.0,19.0,37.0,1.22479999065399,8.0,2.23000001907349,-0.565999984741211,6.0,6.0,81.6709976196289,7.0,0.0,3.0,7.0,1.50013506412506
InChI%3D1S%2FC9H14O%2Fc1-7-4-8%2810%296-9%282%2C3%295-7%2Fh4H%2C5-6H2%2C1-3H3,0.0,10.0,24.0,1.94889998435974,0.0,2.33999991416931,1.98199999332428,0.0,0.0,42.6464004516602,0.0,0.0,0.0,4.0,3.79821109771729
InChI%3D1S%2FC19H18N2O7S2%2Fc1-10-6-12%283%2916%287-11%2810%292%2920-21-18-15-5-4-14%2829%2823%2C24%2925%298-13%2815%299-17%2819%2818%2922%2930%2826%2C27%2928%2Fh4-9%2C22H%2C1-3H3%2C%28H%2C23%2C24%2C25%29%28H%2C26%2C27%2C28%29,3.0,32.0,48.0,1.25709998607635,4.0,2.33999991416931,2.15599989891052,16.0,17.0,113.709701538086,3.0,0.0,0.0,27.0,1.58030045032501
InChI%3D1S%2FC9H4Cl6O4%2Fc10-3-4%2811%298%2813%292%286%2818%2919%291%285%2816%2917%297%283%2C12%299%288%2C14%2915%2Fh1-2H%2C%28H%2C16%2C17%29%28H%2C18%2C19%29,2.0,20.0,23.0,2.4423999786377,2.0,1.35000002384186,1.2849999666214,0.0,0.0,71.7750015258789,3.0,0.0,0.0,3.0,5.96531772613525
InChI%3D1S%2FC7H15N3O2%2Fc1-2-3-4-5-6-10%289-12%297%288%2911%2Fh2-6H2%2C1H3%2C%28H2%2C8%2C11%29,2.0,11.0,27.0,-0.766099989414215,7.0,1.67999994754791,2.33899998664856,0.0,0.0,39.3918991088867,12.0,0.0,6.0,6.0,0.586909234523773
InChI%3D1S%2FC7H14N4O4%2Fc1-11%2810-15%297%2814%299-4-2-3-5%288%296%2812%2913%2Fh5H%2C2-4%2C8H2%2C1H3%2C%28H%2C9%2C14%29%28H%2C12%2C13%29,3.0,14.0,29.0,-1.51010000705719,7.0,1.35000002384186,-3.08800005912781,0.0,0.0,47.9440994262695,15.0,0.0,5.0,6.0,2.28040194511414
InChI%3D1S%2FC12H14N2O%2Fc1-9-8-12%282%2C3%2914%2813-15%2911-7-5-4-6-10%289%2911%2Fh4-8H%2C1-3H3,0.0,16.0,29.0,1.01540005207062,1.0,2.45000004768372,1.06299996376038,6.0,6.0,36.029598236084,1.0,0.0,0.0,12.0,1.03103721141815
InChI%3D1S%2FC10H9N%2Fc11-10-6-5-8-3-1-2-4-9%288%297-10%2Fh1-7H%2C11H2,0.0,12.0,20.0,0.75110000371933,0.0,2.45000004768372,1.67700004577637,10.0,11.0,52.7025985717773,0.0,0.0,0.0,11.0,0.564151227474213
InChI%3D1S%2FC11H7N3O3%2Fc15-14%2816%2911-5-4-9%2817-11%298-7-12-10-3-1-2-6-13%288%2910%2Fh1-7H,0.0,19.0,24.0,-0.1875,2.0,2.00999999046326,2.58500003814697,5.0,5.0,7.40290021896362,3.0,0.0,0.0,17.0,0.03515625
InChI%3D1S%2FC39H59Cl2NO2%2Fc1-27%282%297-6-8-28%283%2934-15-16-35-33-14-11-30-26-32%2817-19-38%2830%2C4%2936%2833%2918-20-39%2834%2C35%295%2944-37%2843%2925-29-9-12-31%2813-10-29%2942%2823-21-40%2924-22-41%2Fh9-13%2C27-28%2C32-36H%2C6-8%2C14-26H2%2C1-5H3,0.0,48.0,100.0,-2.59859991073608,14.0,5.19999980926514,4.80000019073486,6.0,6.0,47.8146018981934,8.0,1.0,7.0,7.0,6.75272178649902
InChI%3D1S%2FC8H15N3O7%2Fc1-11%2810-18%298%2817%299-4%282-12%296%2815%297%2816%295%2814%293-13%2Fh2%2C4-7%2C13-16H%2C3H2%2C1H3%2C%28H%2C9%2C17%29,5.0,17.0,33.0,-1.90499997138977,8.0,1.24000000953674,-3.41100001335144,0.0,0.0,57.6123008728027,18.0,0.0,6.0,6.0,3.62902498245239
InChI%3D1S%2FC19H30O5%2Fc1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18%2823-15-24-19%2912-16%2817%296-4-2%2Fh12-13H%2C3-11%2C14-15H2%2C1-2H3,0.0,25.0,54.0,-1.27579998970032,13.0,3.0,3.28099989891052,6.0,6.0,93.1712036132812,12.0,1.0,4.0,8.0,1.62766563892365
InChI%3D1S%2FC4H8N2O%2Fc7-5-6-3-1-2-4-6%2Fh1-4H2,0.0,7.0,15.0,-0.666599988937378,1.0,1.57000005245209,0.46000000834465,0.0,0.0,23.9046993255615,2.0,0.0,0.0,3.0,0.444355547428131
InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H2,0.0,8.0,16.0,-0.820699989795685,1.0,1.46000003814697,0.564999997615814,0.0,0.0,25.5237998962402,2.0,0.0,0.0,4.0,0.673548519611359
InChI%3D1S%2FC12H24N2O%2Fc15-13-14-11-9-7-5-3-1-2-4-6-8-10-12-14%2Fh1-12H2,0.0,15.0,39.0,-2.97059988975525,1.0,2.45000004768372,4.59000015258789,0.0,0.0,47.1974983215332,2.0,0.0,0.0,3.0,8.82446479797363
InChI%3D1S%2FC13H12F2N6O%2Fc14-10-1-2-11%2812%2815%293-10%2913%2822%2C4-20-8-16-6-18-20%295-21-9-17-7-19-21%2Fh1-3%2C6-9%2C22H%2C4-5H2,5.0,24.0,42.0,-1.32780003547668,5.0,1.89999997615814,-0.587999999523163,6.0,6.0,80.2148971557617,4.0,0.0,3.0,6.0,1.76305282115936
InChI%3D1S%2FC6H6N4O4%2Fc7-6%2811%299-8-3-4-1-2-5%2814-4%2910%2812%2913%2Fh1-3H%2C%28H3%2C7%2C9%2C11%29,3.0,14.0,20.0,-0.309399992227554,4.0,1.24000000953674,2.30399990081787,5.0,5.0,23.0333995819092,6.0,0.0,0.0,14.0,0.0957283601164818
InChI%3D1S%2FC13H17N3O2%2Fc1-10-8-15%2814-18%299-11%282%2916%2810%2913%2817%2912-6-4-3-5-7-12%2Fh3-7%2C10-11H%2C8-9H2%2C1-2H3,0.0,19.0,35.0,0.484200000762939,3.0,2.33999991416931,1.36800003051758,6.0,6.0,73.8518981933594,1.0,0.0,0.0,9.0,0.23444963991642
InChI%3D1S%2FC11H10N6O5%2Fc1-5%2818%2912-10-14-9%2815-11%2816-10%2913-6%282%2919%297-3-4-8%2822-7%2917%2820%2921%2Fh3-4H%2C1-2H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%2C18%2C19%29,2.0,23.0,32.0,-0.344099998474121,4.0,1.46000003814697,1.70799994468689,11.0,11.0,32.3064994812012,4.0,0.0,2.0,20.0,0.118404813110828
InChI%3D1S%2FC12H10Cl2N2%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%2Fh1-6H%2C15-16H2,2.0,17.0,26.0,0.759599983692169,1.0,2.33999991416931,1.55599999427795,12.0,12.0,76.0034027099609,0.0,0.0,0.0,14.0,0.576992154121399
InChI%3D1S%2FC7H7NO2%2Fc1-6-2-4-7%285-3-6%298%289%2910%2Fh2-5H%2C1H3,0.0,10.0,17.0,0.595399975776672,1.0,1.89999997615814,3.21700000762939,6.0,6.0,8.38790035247803,2.0,0.0,0.0,9.0,0.354501157999039
InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918,0.0,26.0,22.0,5.84999990463257,0.0,1.24000000953674,6.35799980163574,0.0,0.0,92.3588027954102,0.0,1.0,0.0,0.0,34.2224998474121
InChI%3D1S%2FC12H12N2O3%2Fc1-3-14-6-9%2812%2816%2917%2910%2815%298-5-4-7%282%2913-11%288%2914%2Fh4-6H%2C3H2%2C1-2H3%2C%28H%2C16%2C17%29,1.0,18.0,31.0,0.276100009679794,2.0,2.23000001907349,0.381000012159348,6.0,6.0,63.1978988647461,2.0,0.0,2.0,9.0,0.0762312114238739
InChI%3D1S%2FC7H6N4O3S%2Fc8-10-7-9-4%283-15-7%295-1-2-6%2814-5%2911%2812%2913%2Fh1-3H%2C8H2%2C%28H%2C9%2C10%29,2.0,16.0,21.0,-0.625999987125397,3.0,1.35000002384186,0.989000022411346,10.0,10.0,20.8824996948242,2.0,0.0,0.0,15.0,0.391876012086868
InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3,1.0,6.0,15.0,0.862399995326996,3.0,1.78999996185303,0.955999970436096,0.0,0.0,26.3542995452881,7.0,0.0,3.0,5.0,0.743733763694763
InChI%3D1S%2FC5H11Cl2N%2Fc1-8%284-2-6%295-3-7%2Fh2-5H2%2C1H3,0.0,7.0,19.0,1.65050005912781,4.0,1.67999994754791,1.59300005435944,0.0,0.0,38.6747016906738,8.0,0.0,2.0,0.0,2.72415018081665
InChI%3D1S%2FC4H10N2O3%2Fc7-3-1-6%285-9%292-4-8%2Fh7-8H%2C1-4H2,2.0,8.0,19.0,-0.987999975681305,5.0,1.35000002384186,-1.692999958992,0.0,0.0,32.6351013183594,9.0,0.0,2.0,3.0,0.976144015789032
InChI%3D1S%2FC34H59NO15%2Fc1-5-6-9-20%283%2932%2850-31%2844%2917-23%2834%2847%2948%2915-29%2841%2942%2927%2849-30%2843%2916-22%2833%2845%2946%2914-28%2839%2940%2913-19%282%2912-24%2836%2910-7-8-11-25%2837%2918-26%2838%2921%284%2935%2Fh19-27%2C32%2C36-38H%2C5-18%2C35H2%2C1-4H3%2C%28H%2C39%2C40%29%28H%2C41%2C42%29%28H%2C45%2C46%29%28H%2C47%2C48%29,0.0,49.0,109.0,-4.60459995269775,31.0,3.44000005722046,1.73099994659424,0.0,0.0,161.808502197266,50.0,3.0,20.0,3.0,21.2023410797119
InChI%3D1S%2FC6H12N2O3%2Fc1-2-3-8%287-11%294-6%2810%295-9%2Fh2%2C6%2C9-10H%2C1%2C3-5H2,2.0,10.0,23.0,-0.342500001192093,6.0,1.57000005245209,-1.04100000858307,0.0,0.0,41.4679985046387,11.0,0.0,3.0,3.0,0.117306247353554
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%2C1-3H3,2.0,27.0,54.0,0.554099977016449,2.0,3.44000005722046,3.77500009536743,0.0,0.0,91.5783004760742,4.0,0.0,2.0,3.0,0.3070268034935
InChI%3D1S%2FC12H4Cl4O2%2Fc13-5-1-9-10%282-6%285%2914%2918-12-4-8%2816%297%2815%293-11%2812%2917-9%2Fh1-4H,0.0,20.0,22.0,2.66899991035461,0.0,2.11999988555908,4.15999984741211,12.0,12.0,25.7005996704102,0.0,0.0,0.0,14.0,7.12356090545654
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%2C17H2,1.0,21.0,26.0,1.20550000667572,0.0,2.45000004768372,1.80400002002716,12.0,12.0,86.3414001464844,0.0,0.0,0.0,17.0,1.45323026180267
InChI%3D1S%2FC4H4N2OS%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,1.0,8.0,12.0,-0.378699988126755,0.0,1.46000003814697,-0.27700001001358,6.0,6.0,32.684398651123,0.0,0.0,0.0,7.0,0.143413692712784
InChI%3D1S%2FC9H16ClN3O7%2Fc10-1-2-13%2812-19%299%2818%2911-5-7%2816%296%2815%294%283-14%2920-8%285%2917%2Fh4-8%2C14-17H%2C1-3H2%2C%28H%2C11%2C18%29,5.0,20.0,36.0,-1.07469999790192,6.0,1.24000000953674,-1.57200002670288,0.0,0.0,65.4400024414062,9.0,0.0,2.0,6.0,1.15498006343842
InChI%3D1S%2FC6H8O%2Fc1-2-3-4-5-6-7%2Fh2-6H%2C1H3,0.0,6.0,15.0,1.07599997520447,2.0,2.00999999046326,1.5110000371933,0.0,0.0,32.5885009765625,7.0,0.0,6.0,6.0,1.15777599811554
InChI%3D1S%2FC3H5N3O%2Fc1-2-6%283-4%295-7%2Fh2H2%2C1H3,1.0,6.0,12.0,0.373800009489059,2.0,1.35000002384186,-0.0560000017285347,0.0,0.0,25.3031997680664,7.0,0.0,2.0,5.0,0.13972644507885
InChI%3D1S%2FC3H8N2O%2Fc1-3-5%282%294-6%2Fh3H2%2C1-2H3,0.0,5.0,14.0,0.341199994087219,2.0,1.46000003814697,0.148000001907349,0.0,0.0,24.3442993164062,6.0,0.0,2.0,3.0,0.116417437791824
InChI%3D1S%2FC13H14Cl2O3%2Fc1-12%282%2C11%2816%2917%2918-9-5-3-8%284-6-9%2910-7-13%2810%2C14%2915%2Fh3-6%2C10H%2C7H2%2C1-2H3%2C%28H%2C16%2C17%29,1.0,19.0,32.0,1.99810004234314,4.0,2.33999991416931,2.25799989700317,6.0,6.0,73.4293975830078,7.0,0.0,3.0,7.0,3.99240350723267
InChI%3D1S%2FC12H9NO%2Fc13-8-5-6-10-9-3-1-2-4-11%289%2914-12%2810%297-8%2Fh1-7H%2C13H2,1.0,16.0,23.0,0.171200007200241,0.0,2.55999994277954,1.21399998664856,13.0,15.0,63.2957000732422,0.0,0.0,0.0,14.0,0.0293094404041767
InChI%3D1S%2FC2H6N2O2%2Fc1-3%282%294%285%296%2Fh1-2H3,0.0,5.0,12.0,-0.353300005197525,1.0,1.24000000953674,0.0769999995827675,0.0,0.0,16.7791996002197,6.0,0.0,0.0,4.0,0.12482088804245
InChI%3D1S%2FC15H23ClO4S%2Fc1-12%2820-21%2817%2919-10-9-16%2911-18-14-7-5-13%286-8-14%2915%282%2C3%294%2Fh5-8%2C12H%2C9-11H2%2C1-4H3,0.0,21.0,44.0,2.4867000579834,9.0,2.45000004768372,2.3840000629425,6.0,6.0,90.7237014770508,11.0,0.0,3.0,7.0,6.18367671966553
InChI%3D1S%2FC17H22N2O%2Fc1-17%2820-14-13-19%282%293%2C15-9-5-4-6-10-15%2916-11-7-8-12-18-16%2Fh4-12H%2C13-14H2%2C1-3H3,0.0,21.0,42.0,1.09650003910065,6.0,3.0,0.94599997997284,12.0,12.0,89.5445022583008,8.0,0.0,2.0,6.0,1.20231223106384
InChI%3D1S%2FC6H11N3O3%2Fc1-3-9%288-12%296%2811%297-4-5%282%2910%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C11%29,1.0,11.0,23.0,0.219999998807907,5.0,1.46000003814697,-0.623000025749207,0.0,0.0,42.4575004577637,12.0,0.0,3.0,6.0,0.0483999997377396
InChI%3D1S%2FC11H11N3O3%2Fc12-10%2815%296-9-11%2816%2917-13-14%289%297-8-4-2-1-3-5-8%2Fh1-5H%2C6-7H2%2C%28H2-%2C12%2C13%2C15%2C16%29%2Fp%2B1,4.0,18.0,32.0,0.232800006866455,4.0,2.00999999046326,0.681999981403351,6.0,6.0,64.4306030273438,4.0,0.0,2.0,6.0,0.0541958399116993
InChI%3D1S%2FC2Cl2%2Fc3-1-2-4,0.0,3.0,4.0,0.971199989318848,0.0,1.46000003814697,1.98599994182587,0.0,0.0,20.1837997436523,4.0,0.0,2.0,2.0,0.94322943687439
InChI%3D1S%2FC37H36N2O6S2%2Fc1-3-38%2826-28-10-8-14-35%2824-28%2946%2840%2C41%2942%2933-20-16-31%2817-21-33%2937%2830-12-6-5-7-13-30%2932-18-22-34%2823-19-32%2939%284-2%2927-29-11-9-15-36%2825-29%2947%2843%2C44%2945%2Fh5-25H%2C3-4%2C26-27H2%2C1-2H3%2C%28H-%2C40%2C41%2C42%2C43%2C44%2C45%29%2Fp%2B1,2.0,51.0,84.0,1.81560003757477,11.0,4.42999982833862,2.68099999427795,24.0,24.0,202.962997436523,4.0,1.0,2.0,21.0,3.29640340805054
InChI%3D1S%2FC20H14N2O10S3%2Fc23-20-18%2835%2830%2C31%2932%2910-11-9-12%2833%2824%2C25%2926%295-6-13%2811%2919%2820%2922-21-16-7-8-17%2834%2827%2C28%2929%2915-4-2-1-3-14%2815%2916%2Fh1-10%2C21H%2C%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%28H%2C30%2C31%2C32%29,4.0,38.0,49.0,-0.773699998855591,5.0,2.00999999046326,-1.82099997997284,16.0,17.0,133.305099487305,3.0,1.0,0.0,35.0,0.59861171245575
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-4-10-14%2812%2911%286-3-9%295-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,1.0,14.0,29.0,0.0841000005602837,5.0,1.46000003814697,0.834999978542328,0.0,0.0,55.7243003845215,4.0,0.0,2.0,5.0,0.0070728100836277
InChI%3D1S%2FC10H10O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh2%2C4-6H%2C1%2C3%2C7H2,0.0,13.0,22.0,1.04019999504089,2.0,2.33999991416931,2.47099995613098,6.0,6.0,50.7649993896484,3.0,0.0,3.0,8.0,1.08201599121094
InChI%3D1S%2FC10H12N4O5%2Fc15-6-5-12-3-4-13%2810%2812%2916%2911-7-8-1-2-9%2819-8%2914%2817%2918%2Fh1-2%2C7%2C15H%2C3-6H2,1.0,20.0,31.0,-1.27649998664856,5.0,1.57000005245209,0.437000006437302,5.0,5.0,43.4118995666504,3.0,0.0,2.0,14.0,1.62945222854614
InChI%3D1S%2FC7H9N%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C8H2%2C1H3,1.0,8.0,17.0,0.65310001373291,0.0,2.11999988555908,0.716000020503998,6.0,6.0,38.7876014709473,0.0,0.0,0.0,7.0,0.426539599895477
InChI%3D1S%2FC4H8N2O2%2Fc7-4-1-2-6%283-4%295-8%2Fh4%2C7H%2C1-3H2,1.0,8.0,16.0,-0.889299988746643,1.0,1.46000003814697,-0.569999992847443,0.0,0.0,26.9556007385254,2.0,0.0,0.0,3.0,0.790854513645172
InChI%3D1S%2FC6H14N2O4%2Fc1-5%2810%292-8%287-12%293-6%2811%294-9%2Fh5-6%2C9-11H%2C2-4H2%2C1H3,3.0,11.0,26.0,-1.50940001010895,6.0,1.46000003814697,-1.90499997138977,0.0,0.0,43.181999206543,12.0,0.0,3.0,3.0,2.2782883644104
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%29,1.0,19.0,30.0,1.9621000289917,1.0,2.89000010490417,2.59800004959106,12.0,12.0,74.8607025146484,4.0,0.0,2.0,15.0,3.8498363494873
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%2C1H3,0.0,24.0,43.0,1.53629994392395,9.0,3.10999989509583,3.38800001144409,12.0,12.0,91.9810028076172,7.0,0.0,4.0,12.0,2.36021757125854
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,0.0,8.0,18.0,1.51470005512238,1.0,2.33999991416931,2.93799996376038,6.0,6.0,40.0862007141113,2.0,0.0,2.0,6.0,2.2943160533905
InChI%3D1S%2FC7H7NO%2Fc1-6-4-2-3-5-7%286%298-9%2Fh2-5H%2C1H3,1.0,9.0,16.0,1.37969994544983,1.0,2.00999999046326,1.07299995422363,6.0,6.0,36.0083999633789,1.0,0.0,0.0,8.0,1.90357208251953
InChI%3D1S%2FC4H6%2Fc1-3-4-2%2Fh3-4H%2C1-2H2,0.0,3.0,10.0,1.41499996185303,1.0,1.89999997615814,1.9559999704361,0.0,0.0,20.2943992614746,4.0,0.0,4.0,4.0,2.00222492218018
InChI%3D1S%2FC22H28O3%2Fc1-4-22%2825-14%282%2923%2912-10-20-19-7-5-15-13-16%2824%296-8-17%2815%2918%2819%299-11-21%2820%2C22%293%2Fh1%2C13%2C17-20H%2C5-12H2%2C2-3H3,0.0,28.0,53.0,1.32949995994568,2.0,3.54999995231628,3.98399996757507,0.0,0.0,93.5656967163086,4.0,0.0,2.0,4.0,1.76757025718689
InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2,1.0,16.0,25.0,0.931100010871887,2.0,2.45000004768372,1.82599997520447,12.0,12.0,70.4521026611328,0.0,0.0,0.0,14.0,0.86694723367691
InChI%3D1S%2FC2HCl2F3%2Fc3-1%284%292%285%2C6%297%2Fh1H,0.0,6.0,8.0,2.29769992828369,1.0,1.12999999523163,2.81800007820129,0.0,0.0,21.816499710083,7.0,0.0,2.0,0.0,5.27942514419556
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%29,1.0,22.0,30.0,2.49710011482239,3.0,2.55999994277954,2.99499988555908,12.0,12.0,74.8359985351562,7.0,0.0,2.0,15.0,6.23550844192505
InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3,0.0,3.0,7.0,-0.280600011348724,0.0,1.24000000953674,0.34799998998642,0.0,0.0,8.30230045318604,4.0,0.0,0.0,2.0,0.0787363573908806
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%2C1-3H3,1.0,32.0,44.0,-2.1324999332428,3.0,2.77999997138977,2.13199996948242,12.0,12.0,103.514297485352,2.0,0.0,0.0,20.0,4.54755640029907
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%2C7H2,2.0,15.0,27.0,-1.49360001087189,2.0,2.11999988555908,0.523000001907349,6.0,6.0,51.6682014465332,2.0,0.0,0.0,6.0,2.23084092140198
InChI%3D1S%2FC6H6N2O3%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2Fh1-3%2C9H%2C7H2,2.0,11.0,17.0,-1.25680005550385,1.0,1.57000005245209,1.11899995803833,6.0,6.0,9.67249965667725,2.0,0.0,0.0,11.0,1.57954621315002
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%29,3.0,30.0,42.0,-1.24890005588531,6.0,2.33999991416931,0.386000007390976,12.0,12.0,108.446899414062,4.0,0.0,0.0,28.0,1.55975115299225
InChI%3D1S%2FC8H11N3%2Fc1-11%282%2910-9-8-6-4-3-5-7-8%2Fh3-7H%2C1-2H3,0.0,11.0,22.0,1.07070004940033,2.0,2.00999999046326,0.5,6.0,6.0,48.8911018371582,5.0,0.0,0.0,9.0,1.14639854431152
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,5.0,24.0,34.0,-2.92689990997314,1.0,2.33999991416931,0.0280000008642673,12.0,12.0,26.5088005065918,0.0,0.0,0.0,11.0,8.56674385070801
InChI%3D1S%2FC10Cl10O%2Fc11-2-1%2821%293%2812%296%2815%294%282%2C13%298%2817%295%282%2C14%297%283%2C16%299%286%2C18%2910%288%2C19%2920,0.0,25.0,21.0,4.4987998008728,0.0,1.35000002384186,3.7260000705719,0.0,0.0,83.1997985839844,0.0,0.0,0.0,2.0,20.239200592041
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%2C1H3,1.0,25.0,36.0,0.166700005531311,3.0,2.67000007629395,6.9210000038147,12.0,12.0,33.880500793457,2.0,0.0,0.0,22.0,0.0277888905256987
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%29,1.0,18.0,40.0,2.15569996833801,6.0,2.77999997138977,2.58999991416931,6.0,6.0,73.7997970581055,10.0,0.0,5.0,7.0,4.6470422744751
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%2C15H2,1.0,19.0,26.0,0.30009999871254,0.0,2.67000007629395,0.298000007867813,12.0,12.0,71.2730026245117,0.0,0.0,0.0,17.0,0.0900600105524063
InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3,0.0,9.0,21.0,2.74259996414185,0.0,2.45000004768372,3.25799989700317,6.0,6.0,43.8017997741699,0.0,0.0,0.0,6.0,7.52185487747192
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%29,2.0,12.0,25.0,0.418500006198883,6.0,1.35000002384186,0.168999999761581,0.0,0.0,48.5611991882324,13.0,0.0,3.0,6.0,0.175142243504524
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%2C5-6H2,5.0,25.0,36.0,-1.04719996452332,0.0,2.55999994277954,0.753000020980835,12.0,12.0,83.6788024902344,0.0,0.0,0.0,9.0,1.09662783145905
InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3,0.0,2.0,8.0,1.24150002002716,0.0,1.57000005245209,1.73599994182587,0.0,0.0,18.589599609375,3.0,0.0,2.0,0.0,1.54132223129272
InChI%3D1S%2FC11H14N2O4%2Fc1-8%282%2916-9-6-4-5-7-10%289%2917-11%2814%2913%283%2912-15%2Fh4-8H%2C1-3H3,0.0,17.0,31.0,0.82370001077652,6.0,2.00999999046326,1.69500005245209,6.0,6.0,67.0721969604492,7.0,0.0,3.0,13.0,0.678481698036194
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,0.0,5.0,11.0,-0.483700007200241,0.0,1.78999996185303,0.757000029087067,0.0,0.0,18.8031997680664,0.0,0.0,0.0,3.0,0.233965694904327
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%29,1.0,21.0,31.0,-2.56809997558594,2.0,2.23000001907349,1.74300003051758,6.0,6.0,66.0325012207031,2.0,0.0,2.0,12.0,6.59513759613037
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%29,3.0,17.0,31.0,-0.553399980068207,2.0,2.11999988555908,1.38499999046326,6.0,6.0,57.1469993591309,2.0,0.0,0.0,8.0,0.306251555681229
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,1.0,6.0,12.0,0.351799994707108,0.0,1.46000003814697,0.122000001370907,0.0,0.0,26.6289005279541,0.0,0.0,0.0,3.0,0.123763240873814
InChI%3D1S%2FC4H9N3O3%2Fc5-4%289%297%286-10%292-1-3-8%2Fh8H%2C1-3H2%2C%28H2%2C5%2C9%29,3.0,9.0,19.0,-0.402099996805191,5.0,1.24000000953674,-0.5,0.0,0.0,32.0351982116699,10.0,0.0,3.0,6.0,0.161684408783913
InChI%3D1S%2FC5H3Cl5%2Fc1-2%284%287%298%293%286%295%289%2910%2Fh1H3,0.0,9.0,13.0,3.71169996261597,1.0,1.46000003814697,4.05600023269653,0.0,0.0,50.2621994018555,10.0,0.0,4.0,4.0,13.7767171859741
InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2,2.0,11.0,17.0,-1.25680005550385,1.0,1.57000005245209,1.54799997806549,6.0,6.0,9.67249965667725,2.0,0.0,0.0,11.0,1.57954621315002
InChI%3D1S%2FC2H3N3O%2Fc1-5%282-3%294-6%2Fh1H3,0.0,5.0,9.0,0.123400002717972,1.0,1.24000000953674,-0.479000002145767,0.0,0.0,21.0093994140625,6.0,0.0,0.0,5.0,0.015227559953928
InChI%3D1S%2FC4H10N2S%2Fc1-5-4%287%296%282%293%2Fh1-3H3%2C%28H%2C5%2C7%29,0.0,6.0,17.0,0.523400008678436,1.0,1.57000005245209,1.06099998950958,0.0,0.0,34.2011985778809,7.0,0.0,0.0,3.0,0.273947566747665
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%29,3.0,24.0,37.0,-0.882099986076355,4.0,2.11999988555908,2.60400009155273,6.0,6.0,37.657600402832,4.0,0.0,2.0,10.0,0.778100430965424
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3,0.0,16.0,44.0,-1.63800001144409,12.0,2.23000001907349,3.35999989509583,0.0,0.0,60.3110008239746,17.0,1.0,4.0,5.0,2.68304395675659
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%2C1H3,0.0,24.0,37.0,1.40890002250671,4.0,3.0,1.53699994087219,16.0,17.0,98.3712005615234,4.0,0.0,2.0,21.0,1.98499917984009
InChI%3D1S%2FC2H2ClF3%2Fc3-1-2%284%2C5%296%2Fh1H2,0.0,5.0,8.0,1.85399997234344,1.0,1.24000000953674,2.40000009536743,0.0,0.0,16.7623996734619,6.0,0.0,2.0,0.0,3.43731594085693
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,0.0,9.0,14.0,-0.0465999990701675,1.0,1.78999996185303,2.89400005340576,6.0,6.0,2.88579988479614,3.0,0.0,0.0,9.0,0.00217155995778739
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%2C1-3H3,4.0,16.0,35.0,0.195700004696846,4.0,2.33999991416931,0.814999997615814,6.0,6.0,66.4218978881836,8.0,0.0,3.0,8.0,0.0382984913885593
InChI%3D1S%2FC3H3N3O2S%2Fc4-3-5-1-2%289-3%296%287%298%2Fh1H%2C%28H2%2C4%2C5%29,2.0,9.0,14.0,0.174500003457069,1.0,1.12999999523163,0.790000021457672,0.0,0.0,27.300199508667,2.0,0.0,0.0,3.0,0.0304502490907907
InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2,0.0,54.0,93.0,3.89560008049011,13.0,4.53999996185303,2.77600002288818,24.0,24.0,219.49870300293,4.0,1.0,2.0,20.0,15.1756992340088
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,0.0,10.0,17.0,0.874100029468536,0.0,2.23000001907349,1.067999958992,6.0,6.0,39.8465003967285,0.0,0.0,0.0,7.0,0.764050781726837
InChI%3D1S%2FC6H14N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-6H2%2C1-2H3,0.0,8.0,23.0,-0.564000010490417,5.0,1.78999996185303,1.28699994087219,0.0,0.0,35.7020988464355,9.0,0.0,3.0,3.0,0.31809601187706
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%2C1-4H3,2.0,20.0,41.0,2.41380000114441,4.0,3.10999989509583,2.9760000705719,12.0,12.0,91.3106002807617,3.0,0.0,0.0,7.0,5.82643032073975
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%2C6H2,0.0,15.0,26.0,-1.66919994354248,2.0,1.89999997615814,0.300999999046326,0.0,0.0,47.7510986328125,2.0,0.0,0.0,6.0,2.7862286567688
InChI%3D1S%2FC8H5N3O4S%2Fc12-4-9-8-10-5%283-16-8%296-1-2-7%2815-6%2911%2813%2914%2Fh1-4H%2C%28H%2C9%2C10%2C12%29,1.0,17.0,21.0,0.239399999380112,3.0,1.46000003814697,1.51699995994568,10.0,10.0,22.1271991729736,3.0,0.0,0.0,16.0,0.0573123581707478
InChI%3D1S%2FC2H5ClO%2Fc1-4-2-3%2Fh2H2%2C1H3,0.0,3.0,9.0,0.487399995326996,1.0,1.46000003814697,0.426999986171722,0.0,0.0,17.6518993377686,4.0,0.0,0.0,0.0,0.237558767199516
InChI%3D1S%2FC6H10N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh3-4H2%2C1-2H3,0.0,10.0,21.0,-1.02520000934601,5.0,1.57000005245209,-0.981000006198883,0.0,0.0,39.3218994140625,11.0,0.0,3.0,3.0,1.05103504657745
InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29,0.0,5.0,8.0,0.965200006961823,1.0,1.24000000953674,0.570999979972839,0.0,0.0,22.619499206543,6.0,0.0,2.0,3.0,0.931611061096191
InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3,0.0,13.0,24.0,-0.162799999117851,2.0,2.33999991416931,2.64800000190735,6.0,6.0,49.5388984680176,3.0,0.0,3.0,8.0,0.0265038404613733
InChI%3D1S%2FC7H10N2O%2Fc1-10-7-3-2-5%288%294-6%287%299%2Fh2-4H%2C8-9H2%2C1H3,2.0,10.0,20.0,-1.48860001564026,1.0,1.89999997615814,0.0719999969005585,6.0,6.0,44.6988983154297,2.0,0.0,0.0,9.0,2.21592998504639
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%2C16-17H2,2.0,18.0,29.0,1.21580004692078,2.0,2.45000004768372,1.65600001811981,12.0,12.0,80.6044006347656,0.0,0.0,0.0,7.0,1.47816967964172
InChI%3D1S%2FC5H11N3O2%2Fc1-2-3-4-8%287-10%295%286%299%2Fh2-4H2%2C1H3%2C%28H2%2C6%2C9%29,2.0,9.0,21.0,-0.190099999308586,5.0,1.46000003814697,1.20099997520447,0.0,0.0,33.5686988830566,10.0,0.0,4.0,6.0,0.0361380092799664
InChI%3D1S%2FC8H11NO%2Fc1-6-5-7%2810-2%293-4-8%286%299%2Fh3-5H%2C9H2%2C1-2H3,1.0,10.0,21.0,0.154499992728233,1.0,2.11999988555908,0.745000004768372,6.0,6.0,45.4310989379883,2.0,0.0,0.0,8.0,0.023870250210166
InChI%3D1S%2FC12H15ClO3%2Fc1-4-15-11%2814%2912%282%2C3%2916-10-7-5-9%2813%296-8-10%2Fh5-8H%2C4H2%2C1-3H3,0.0,16.0,31.0,2.02690005302429,5.0,2.33999991416931,2.39499998092651,6.0,6.0,66.6689987182617,9.0,0.0,3.0,7.0,4.10832357406616
InChI%3D1S%2FC10H22N2O%2Fc1-3-5-7-9-12%2811-13%2910-8-6-4-2%2Fh3-10H2%2C1-2H3,0.0,12.0,35.0,-1.71599996089935,9.0,2.23000001907349,3.56299996376038,0.0,0.0,47.3484992980957,13.0,0.0,5.0,3.0,2.94465589523315
InChI%3D1S%2FC6H7ClN2%2Fc7-5-2-1-4%288%293-6%285%299%2Fh1-3H%2C8-9H2,2.0,9.0,16.0,-0.621299982070923,0.0,1.78999996185303,0.409000009298325,6.0,6.0,42.771598815918,0.0,0.0,0.0,8.0,0.386013686656952
InChI%3D1S%2FC7H8O2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4%2C8-9H%2C1H3,2.0,9.0,17.0,0.723599970340729,0.0,2.00999999046326,1.47500002384186,6.0,6.0,38.4487991333008,0.0,0.0,0.0,8.0,0.523596942424774
InChI%3D1S%2FC2H6O3P%2Fc1-4-6%283%295-2%2Fh1-2H3%2Fq%2B1,0.0,5.0,12.0,0.24609999358654,2.0,1.24000000953674,-0.741999983787537,0.0,0.0,15.5367002487183,6.0,0.0,0.0,4.0,0.060565210878849
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%29,1.0,19.0,29.0,1.10889995098114,1.0,2.45000004768372,2.82200002670288,12.0,12.0,70.9686965942383,0.0,0.0,0.0,16.0,1.22965919971466
InChI%3D1S%2FC5H10N2O2%2Fc1-2-3-7%286-9%294-5-8%2Fh2%2C8H%2C1%2C3-5H2,1.0,8.0,19.0,0.168200001120567,5.0,1.57000005245209,-0.368999987840652,0.0,0.0,35.505500793457,9.0,0.0,3.0,3.0,0.0282912403345108
InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3,1.0,4.0,10.0,-0.141599997878075,0.0,1.67999994754791,0.270000010728836,0.0,0.0,15.6279001235962,0.0,0.0,0.0,0.0,0.0200505591928959
InChI%3D1S%2FC6H12N2O4%2Fc1-4%289%292-7-3-5%2810%296%2811%298-12%2Fh5-7%2C10-11H%2C2-3H2%2C1H3,3.0,11.0,24.0,-2.28169989585876,6.0,1.46000003814697,-2.04999995231628,0.0,0.0,36.5236015319824,12.0,0.0,3.0,1.0,5.20615482330322
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%2C1H3,1.0,15.0,30.0,-1.56359994411469,6.0,2.00999999046326,-0.563000023365021,6.0,6.0,57.0178985595703,9.0,0.0,4.0,6.0,2.44484496116638
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,2.0,8.0,12.0,-1.00600004196167,0.0,1.46000003814697,-0.90200001001358,6.0,6.0,26.2705993652344,0.0,0.0,0.0,8.0,1.01203596591949
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%29,1.0,18.0,27.0,-0.409000009298325,3.0,1.57000005245209,2.05599999427795,5.0,5.0,36.9487991333008,2.0,0.0,0.0,14.0,0.167281001806259
InChI%3D1S%2FC18H22ClNO%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%2Fh2-11%2C16H%2C12-15H2%2C1H3,0.0,22.0,43.0,2.8150999546051,8.0,3.10999989509583,3.43700003623962,12.0,12.0,98.2973022460938,9.0,0.0,3.0,7.0,7.92478799819946
InChI%3D1S%2FC12H10N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H,0.0,15.0,20.0,0.309899985790253,3.0,1.35000002384186,0.727999985218048,6.0,6.0,52.4916000366211,5.0,0.0,2.0,8.0,0.0960380136966705
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,0.0,19.0,22.0,4.62779998779297,1.0,2.11999988555908,4.84800004959106,12.0,12.0,87.7686004638672,0.0,0.0,0.0,12.0,21.4165325164795
InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2,0.0,5.0,12.0,1.97959995269775,2.0,1.67999994754791,1.94000005722046,0.0,0.0,30.9741992950439,6.0,0.0,4.0,2.0,3.91881608963013
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%29,3.0,18.0,33.0,-0.196799993515015,0.0,2.55999994277954,1.24699997901917,6.0,6.0,65.9133987426758,0.0,0.0,0.0,7.0,0.0387302413582802
InChI%3D1S%2FC3H6N6%2Fc4-1-7-2%285%299-3%286%298-1%2Fh%28H6%2C4%2C5%2C6%2C7%2C8%2C9%29,6.0,9.0,15.0,0.125400006771088,0.0,1.12999999523163,1.6710000038147,0.0,0.0,26.099100112915,0.0,1.0,0.0,9.0,0.0157251600176096
InChI%3D1S%2FC2H3Br%2Fc1-2-3%2Fh2H%2C1H2,0.0,2.0,6.0,1.08599996566772,0.0,1.57000005245209,1.72500002384186,0.0,0.0,17.5953998565674,3.0,0.0,2.0,2.0,1.17939603328705
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,0.0,2.0,6.0,1.00199997425079,0.0,1.57000005245209,1.54900002479553,0.0,0.0,14.7774000167847,3.0,0.0,2.0,2.0,1.00400400161743
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,0.0,6.0,12.0,1.40339994430542,0.0,2.11999988555908,2.08200001716614,6.0,6.0,30.9557991027832,0.0,0.0,0.0,6.0,1.96953153610229
InChI%3D1S%2FC5H8O2%2Fc1-5%282%293-7-4%285%296%2Fh3H2%2C1-2H3,0.0,7.0,15.0,0.834699988365173,0.0,1.78999996185303,0.354999989271164,0.0,0.0,24.6285991668701,0.0,0.0,0.0,3.0,0.696724116802216
InChI%3D1S%2FC5H12N2O3%2Fc1-5%289%294-7%286-10%292-3-8%2Fh5%2C8-9H%2C2-4H2%2C1H3,2.0,9.0,22.0,-0.998700022697449,5.0,1.46000003814697,-1.23300004005432,0.0,0.0,37.2195014953613,10.0,0.0,3.0,3.0,0.99740171432495
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%2C1-4H3,0.0,27.0,43.0,0.70770001411438,1.0,3.22000002861023,3.75,12.0,12.0,46.9622001647949,2.0,0.0,0.0,19.0,0.500839293003082
InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,2.0,3.0,9.0,-0.0716999992728233,0.0,1.46000003814697,0.32600000500679,0.0,0.0,13.9007997512817,4.0,0.0,2.0,3.0,0.00514088990166783
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,0.0,12.0,12.0,3.61560010910034,0.0,1.46000003814697,4.27799987792969,6.0,6.0,59.2529983520508,0.0,0.0,0.0,6.0,13.0725631713867
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,0.0,8.0,12.0,2.14079999923706,0.0,1.89999997615814,1.97000002861023,6.0,6.0,40.3881988525391,0.0,0.0,0.0,6.0,4.58302450180054
InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296,0.0,5.0,6.0,1.28159999847412,0.0,1.24000000953674,1.182000041008,0.0,0.0,12.4054002761841,6.0,0.0,2.0,2.0,1.64249861240387
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%2C1-6H3,0.0,24.0,56.0,4.16400003433228,7.0,3.66000008583069,6.89799976348877,0.0,0.0,105.91429901123,15.0,1.0,9.0,10.0,17.3388957977295
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%2C1-2H3,2.0,21.0,40.0,1.97979998588562,4.0,3.22000002861023,4.05200004577637,12.0,12.0,91.2618026733398,6.0,0.0,6.0,16.0,3.9196081161499
InChI%3D1S%2FC5H3Cl3O3%2Fc6-2-1%283%287%298%294%289%2911-5%282%2910%2Fh3-4%2C9H,1.0,11.0,14.0,1.4213000535965,1.0,1.35000002384186,0.917999982833862,0.0,0.0,41.2304000854492,2.0,0.0,0.0,5.0,2.0200936794281
InChI%3D1S%2FC8H8N2O2%2Fc1-10%289-12%298%2811%297-5-3-2-4-6-7%2Fh2-6H%2C1H3,0.0,12.0,20.0,1.07280004024506,3.0,1.89999997615814,0.777999997138977,6.0,6.0,49.0309982299805,6.0,0.0,0.0,11.0,1.15089988708496
InChI%3D1S%2FC14H16N2%2Fc1-9-7-11%283-5-13%289%2915%2912-4-6-14%2816%2910%282%298-12%2Fh3-8H%2C15-16H2%2C1-2H3,0.0,17.0,32.0,0.915000021457672,1.0,2.77999997138977,1.18599998950958,12.0,12.0,75.1350021362305,0.0,0.0,0.0,14.0,0.837225019931793
InChI%3D1S%2FC10H9N3O3%2Fc1-6-5-7%282%2912-10%2811-6%298-3-4-9%2816-8%2913%2814%2915%2Fh3-5H%2C1-2H3,0.0,17.0,25.0,0.678300023078918,2.0,1.89999997615814,2.51799988746643,11.0,11.0,15.9699001312256,2.0,0.0,0.0,14.0,0.46009087562561
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%2C1-6H3,0.0,30.0,62.0,0.440600007772446,10.0,2.89000010490417,0.513999998569489,0.0,0.0,106.569602966309,14.0,0.0,5.0,5.0,0.19412836432457
InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3,0.0,11.0,26.0,3.16650009155273,6.0,1.89999997615814,2.74499988555908,0.0,0.0,62.7835998535156,12.0,0.0,3.0,3.0,10.0267219543457
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%2C1H3,0.0,15.0,28.0,-0.993900001049042,6.0,2.00999999046326,-0.542999982833862,6.0,6.0,58.0390014648438,9.0,0.0,4.0,8.0,0.987837195396423
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%2C8-9H2,0.0,25.0,39.0,-0.440600007772446,5.0,1.78999996185303,1.02499997615814,5.0,5.0,57.0368995666504,2.0,0.0,0.0,14.0,0.19412836432457
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,0.0,8.0,16.0,1.91530001163483,1.0,2.33999991416931,2.93700003623962,6.0,6.0,39.8829002380371,2.0,0.0,2.0,8.0,3.66837406158447
InChI%3D1S%2FC5H12N2S%2Fc1-3-6-5%288%297-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C6%2C7%2C8%29,1.0,7.0,20.0,1.03400003910065,3.0,1.67999994754791,1.17799997329712,0.0,0.0,37.1855010986328,8.0,0.0,2.0,3.0,1.06915605068207
InChI%3D1S%2FC3H7N3O2%2Fc1-2-6%285-8%293%284%297%2Fh2H2%2C1H3%2C%28H2%2C4%2C7%29,2.0,7.0,15.0,0.675700008869171,3.0,1.24000000953674,0.273999989032745,0.0,0.0,27.1250991821289,8.0,0.0,2.0,6.0,0.456570476293564
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%29,2.0,22.0,35.0,-1.93340003490448,3.0,2.33999991416931,-0.702000021934509,12.0,12.0,86.4630966186523,2.0,0.0,0.0,9.0,3.73803567886353
InChI%3D1S%2FC4H10N2O2%2Fc1-6%285-8%293-2-4-7%2Fh7H%2C2-4H2%2C1H3,1.0,7.0,18.0,-0.736599981784821,4.0,1.46000003814697,-0.625999987125397,0.0,0.0,29.2544002532959,8.0,0.0,3.0,3.0,0.542579531669617
InChI%3D1S%2FC6H14NO4P%2Fc1-9-12%288%2C10-2%297-3-5-11-6-4-7%2Fh3-6H2%2C1-2H3,0.0,12.0,26.0,-0.545499980449677,3.0,1.46000003814697,-1.04700005054474,0.0,0.0,44.0197982788086,6.0,0.0,0.0,5.0,0.297570258378983
InChI%3D1S%2FC8H6N4O4S%2Fc13-4-9-11-8-10-5%283-17-8%296-1-2-7%2816-6%2912%2814%2915%2Fh1-4H%2C%28H%2C9%2C13%29%28H%2C10%2C11%29,0.0,18.0,23.0,-0.180999994277954,4.0,1.35000002384186,2.51999998092651,10.0,10.0,25.4272003173828,4.0,0.0,0.0,17.0,0.0327610000967979
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%29,3.0,13.0,25.0,0.633899986743927,4.0,2.00999999046326,1.57599997520447,6.0,6.0,52.198299407959,4.0,0.0,2.0,11.0,0.401829212903976
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%2C1-3H3,0.0,9.0,19.0,1.73310005664825,0.0,2.23000001907349,1.30799996852875,6.0,6.0,41.125301361084,0.0,0.0,0.0,7.0,3.00363564491272
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%29,1.0,25.0,45.0,1.87249994277954,4.0,3.32999992370605,4.16200017929077,12.0,12.0,96.1939010620117,7.0,0.0,3.0,7.0,3.5062563419342
InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,2.0,16.0,27.0,0.110399998724461,2.0,2.45000004768372,0.731000006198883,12.0,12.0,75.4600982666016,0.0,0.0,0.0,7.0,0.0121881598606706
InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2,1.0,14.0,23.0,0.208299994468689,2.0,2.23000001907349,0.847000002861023,6.0,6.0,51.972900390625,4.0,0.0,3.0,8.0,0.0433888882398605
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,0.0,6.0,11.0,-0.281399995088577,0.0,1.89999997615814,-0.0410000011324883,6.0,6.0,27.3862991333008,0.0,0.0,0.0,6.0,0.079185962677002
InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3,0.0,10.0,17.0,0.595399975776672,1.0,1.89999997615814,3.00600004196167,6.0,6.0,8.38790035247803,2.0,0.0,0.0,9.0,0.354501157999039
InChI%3D1S%2FCHBr3%2Fc2-1%283%294%2Fh1H,0.0,3.0,5.0,2.228600025177,0.0,1.24000000953674,3.08800005912781,0.0,0.0,29.7896995544434,3.0,0.0,0.0,0.0,4.96665811538696
InChI%3D1S%2FC3H6O3S%2Fc4-7%285%293-1-2-6-7%2Fh1-3H2,0.0,7.0,13.0,-0.657599985599518,0.0,1.35000002384186,-0.78600001335144,0.0,0.0,22.3278007507324,0.0,0.0,0.0,4.0,0.432437747716904
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%29,3.0,13.0,21.0,0.202900007367134,2.0,2.00999999046326,0.888000011444092,6.0,6.0,50.4095001220703,5.0,0.0,3.0,13.0,0.0411684103310108
InChI%3D1S%2FC7H9NO2S%2Fc1-6-4-2-3-5-7%286%2911%288%2C9%2910%2Fh2-5H%2C1H3%2C%28H2%2C8%2C9%2C10%29,1.0,11.0,20.0,0.466500014066696,1.0,1.78999996185303,-0.377999991178513,6.0,6.0,45.7070999145508,3.0,0.0,0.0,10.0,0.217622250318527
InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H,1.0,16.0,25.0,1.02269995212555,3.0,2.45000004768372,1.54799997806549,12.0,12.0,64.6376037597656,2.0,0.0,0.0,15.0,1.04591524600983
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%29,2.0,14.0,29.0,-0.651400029659271,3.0,1.46000003814697,0.00999999977648258,0.0,0.0,50.8755989074707,4.0,0.0,0.0,3.0,0.424321949481964
InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2,0.0,3.0,8.0,1.80079996585846,1.0,1.46000003814697,2.41599988937378,0.0,0.0,26.6226005554199,4.0,0.0,2.0,0.0,3.24288058280945
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,0.0,5.0,11.0,2.2056999206543,2.0,1.46000003814697,2.37899994850159,0.0,0.0,29.6690998077393,6.0,0.0,3.0,0.0,4.8651123046875
InChI%3D1S%2FC9H10O2%2Fc1-2-4-8%285-3-1%2910-6-9-7-11-9%2Fh1-5%2C9H%2C6-7H2,0.0,12.0,21.0,0.621200025081635,3.0,2.23000001907349,0.903999984264374,6.0,6.0,46.3440017700195,2.0,0.0,0.0,7.0,0.385889440774918
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%29,1.0,11.0,21.0,0.364499986171722,2.0,1.78999996185303,0.88400000333786,6.0,6.0,45.2159996032715,3.0,0.0,3.0,7.0,0.132860243320465
InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,1.0,10.0,21.0,0.154499992728233,1.0,2.11999988555908,0.955999970436096,6.0,6.0,45.4310989379883,2.0,0.0,0.0,8.0,0.023870250210166
InChI%3D1S%2FC4H9N5O3%2Fc1-2-3-8%287-10%294%285%296-9%2811%2912%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C6%29,2.0,11.0,21.0,-0.343699991703033,6.0,1.01999998092651,1.25399994850159,0.0,0.0,33.7650985717773,12.0,0.0,3.0,9.0,0.118129692971706
InChI%3D1S%2FC4H9N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C8%29,2.0,8.0,18.0,0.097900003194809,4.0,1.35000002384186,0.632000029087067,0.0,0.0,30.6571006774902,9.0,0.0,3.0,6.0,0.00958441011607647
InChI%3D1S%2FC11H12N2O%2Fc1-9-8-11%2814%2913%2812%289%292%2910-6-4-3-5-7-10%2Fh3-8H%2C1-2H3,0.0,15.0,28.0,0.47299998998642,1.0,2.33999991416931,0.361000001430511,6.0,6.0,60.1655006408691,0.0,0.0,0.0,10.0,0.223728999495506
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%29,4.0,25.0,47.0,2.01740002632141,6.0,2.33999991416931,0.679000020027161,6.0,6.0,100.696998596191,8.0,0.0,2.0,9.0,4.0699028968811
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,1.0,21.0,31.0,1.54009997844696,2.0,2.89000010490417,2.65599989891052,12.0,12.0,84.2917022705078,2.0,0.0,0.0,19.0,2.37190794944763
InChI%3D1S%2FC8H10O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-7%2C9H%2C1H3,1.0,9.0,19.0,0.748399972915649,1.0,2.23000001907349,1.11899995803833,6.0,6.0,41.5969009399414,3.0,0.0,2.0,6.0,0.560102581977844
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%2C1H3,0.0,27.0,37.0,-1.15880000591278,1.0,2.67000007629395,0.456000000238419,6.0,6.0,80.4264984130859,2.0,0.0,0.0,11.0,1.34281742572784
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,0.0,3.0,5.0,1.82099997997284,0.0,1.24000000953674,2.41199994087219,0.0,0.0,24.172700881958,3.0,0.0,0.0,0.0,3.31604099273682
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%29,5.0,17.0,24.0,-0.496199995279312,2.0,1.24000000953674,1.74699997901917,5.0,5.0,27.5818004608154,2.0,0.0,0.0,8.0,0.246214434504509
InChI%3D1S%2FC3H9O3P%2Fc1-5-7%283%2C4%296-2%2Fh1-3H3,0.0,6.0,16.0,-0.120600000023842,2.0,1.35000002384186,-0.214000001549721,0.0,0.0,26.142599105835,7.0,0.0,0.0,4.0,0.0145443603396416
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,0.0,3.0,5.0,1.6172000169754,0.0,1.24000000953674,2.07399988174438,0.0,0.0,21.364200592041,3.0,0.0,0.0,0.0,2.6153359413147
InChI%3D1S%2FC11H24N2O%2Fc1-3-4-5-6-7-8-9-10-11-13%282%2912-14%2Fh3-11H2%2C1-2H3,0.0,13.0,38.0,-2.2525999546051,10.0,2.33999991416931,4.48899984359741,0.0,0.0,48.2574996948242,14.0,0.0,10.0,3.0,5.07420682907104
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%29,4.0,27.0,42.0,-1.33819997310638,4.0,2.11999988555908,-0.252000004053116,0.0,0.0,81.9337005615234,5.0,0.0,0.0,10.0,1.79077923297882
InChI%3D1S%2FC4H8N2OS%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2,0.0,8.0,16.0,0.52319997549057,1.0,1.46000003814697,0.714999973773956,0.0,0.0,35.2994003295898,2.0,0.0,0.0,3.0,0.273738235235214
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,1.0,12.0,18.0,4.16340017318726,0.0,1.46000003814697,3.83400011062622,0.0,0.0,54.0810012817383,0.0,0.0,0.0,0.0,17.3339004516602
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%29,8.0,65.0,88.0,-4.44140005111694,11.0,2.33999991416931,-2.9300000667572,24.0,24.0,227.668395996094,3.0,3.0,0.0,58.0,19.7260341644287
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,2.0,6.0,16.0,-0.344300001859665,0.0,1.67999994754791,-0.174999997019768,0.0,0.0,24.4801998138428,0.0,0.0,0.0,0.0,0.118542492389679
InChI%3D1S%2FC4H10N2O%2Fc1-3-6%284-2%295-7%2Fh3-4H2%2C1-2H3,0.0,6.0,17.0,0.591600000858307,3.0,1.57000005245209,0.570999979972839,0.0,0.0,28.6380996704102,7.0,0.0,2.0,3.0,0.349990546703339
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,0.0,5.0,6.0,2.42880010604858,0.0,1.24000000953674,3.02600002288818,0.0,0.0,30.9454002380371,6.0,0.0,2.0,2.0,5.89906930923462
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%29,3.0,59.0,84.0,2.54169988632202,10.0,3.66000008583069,1.63100004196167,30.0,30.0,215.361694335938,4.0,1.0,0.0,51.0,6.46023893356323
InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3,0.0,12.0,26.0,-0.0710000023245811,2.0,1.89999997615814,1.24000000953674,0.0,0.0,38.7957992553711,4.0,0.0,2.0,3.0,0.00504099996760488
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-7%282%298%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,1.0,9.0,20.0,1.09949994087219,0.0,2.23000001907349,1.10800004005432,6.0,6.0,43.0695991516113,0.0,0.0,0.0,7.0,1.20890021324158
InChI%3D1S%2FC5H12N2O4%2Fc8-2-1-7%286-11%293-5%2810%294-9%2Fh5%2C8-10H%2C1-4H2,3.0,10.0,23.0,-1.49870002269745,6.0,1.35000002384186,-2.36500000953674,0.0,0.0,38.597599029541,11.0,0.0,3.0,3.0,2.24610161781311
InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2,0.0,4.0,9.0,0.924300014972687,2.0,1.35000002384186,0.833999991416931,0.0,0.0,22.2912998199463,5.0,0.0,0.0,0.0,0.854330480098724
InChI%3D1S%2FC5H11N3O3%2Fc1-2-6-5%2810%298%287-11%293-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29,2.0,10.0,22.0,0.0143999997526407,5.0,1.35000002384186,-0.633000016212463,0.0,0.0,38.9272994995117,11.0,0.0,2.0,6.0,0.000207360004424118
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%2922,0.0,24.0,23.0,6.28609991073608,2.0,1.57000005245209,9.27099990844727,12.0,12.0,137.528106689453,0.0,1.0,0.0,13.0,39.5150527954102
InChI%3D1S%2FC5H10N2O3%2Fc8-4-3-6-2-1-5%289%297-10%2Fh6%2C8H%2C1-4H2,2.0,9.0,20.0,-1.46920001506805,6.0,1.46000003814697,-1.74500000476837,0.0,0.0,33.4347991943359,10.0,0.0,3.0,4.0,2.15854859352112
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,0.0,10.0,18.0,1.03320002555847,4.0,1.12999999523163,1.20700001716614,0.0,0.0,42.2757987976074,11.0,0.0,2.0,7.0,1.06750226020813
InChI%3D1S%2FC3H8N2O2%2Fc1-5%284-7%292-3-6%2Fh6H%2C2-3H2%2C1H3,1.0,6.0,15.0,-0.448599994182587,3.0,1.35000002384186,-0.984000027179718,0.0,0.0,26.3428001403809,7.0,0.0,2.0,3.0,0.201241955161095
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,0.0,4.0,9.0,1.51820003986359,1.0,1.57000005245209,2.09899997711182,0.0,0.0,25.2765998840332,5.0,0.0,3.0,2.0,2.30493116378784
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%29,1.0,16.0,25.0,1.0194000005722,4.0,2.11999988555908,1.22800004482269,6.0,6.0,66.7221984863281,8.0,0.0,4.0,14.0,1.03917634487152
InChI%3D1S%2FC6H10N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-4H%2C1-2%2C5-6H2,0.0,8.0,19.0,1.32439994812012,5.0,1.78999996185303,0.9549999833107,0.0,0.0,38.3759002685547,9.0,0.0,3.0,3.0,1.75403535366058
InChI%3D1S%2FC4H10N2O2%2Fc1-4%287%293-6%282%295-8%2Fh4%2C7H%2C3H2%2C1-2H3,1.0,7.0,18.0,-0.459300011396408,3.0,1.46000003814697,-0.523999989032745,0.0,0.0,30.9272003173828,8.0,0.0,3.0,3.0,0.210956484079361
InChI%3D1S%2FC4H5N3O3%2Fc8-3-1-2-7%286-10%294%289%295-3%2Fh1-2H2%2C%28H%2C5%2C8%2C9%29,1.0,10.0,15.0,-0.400299996137619,1.0,1.24000000953674,-0.819000005722046,0.0,0.0,31.1375007629395,2.0,0.0,0.0,8.0,0.160240083932877
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%29,1.0,13.0,19.0,1.20679998397827,2.0,1.78999996185303,1.74300003051758,6.0,6.0,53.0308990478516,2.0,0.0,0.0,10.0,1.4563661813736
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,0.0,2.0,5.0,1.07290005683899,0.0,1.35000002384186,1.51900005340576,0.0,0.0,16.4382991790771,2.0,0.0,0.0,0.0,1.15111446380615
InChI%3D1S%2FC8H12F6N2O%2Fc9-7%2810%2C11%293-1-5-16%2815-17%296-2-4-8%2812%2C13%2914%2Fh1-6H2,0.0,16.0,29.0,0.953599989414215,9.0,1.35000002384186,4.00699996948242,0.0,0.0,42.5970993041992,17.0,0.0,4.0,3.0,0.909352958202362
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%2C1-2H3,0.0,23.0,34.0,-0.744799971580505,5.0,2.55999994277954,5.04400014877319,12.0,12.0,86.2967987060547,3.0,1.0,0.0,20.0,0.554727017879486
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%29,7.0,18.0,33.0,-1.73510003089905,2.0,1.35000002384186,-1.72200000286102,0.0,0.0,51.6804008483887,1.0,1.0,0.0,4.0,3.01057195663452
InChI%3D1S%2FC7H15N3O%2Fc1-6-4-10%288-11%295-7%282%299%286%293%2Fh6-7H%2C4-5H2%2C1-3H3,0.0,11.0,26.0,0.0266999993473291,1.0,1.78999996185303,0.517000019550323,0.0,0.0,45.269401550293,1.0,0.0,0.0,3.0,0.000712890003342181
InChI%3D1S%2FC4H9NO2%2Fc1-3-4%282%295%286%297%2Fh4H%2C3H2%2C1-2H3,0.0,6.0,16.0,-0.394499987363815,2.0,1.57000005245209,1.08500003814697,0.0,0.0,20.899299621582,7.0,0.0,4.0,2.0,0.155630245804787
InChI%3D1S%2FC19H20N2O2%2Fc1-2-3-14-17-18%2822%2920%2815-10-6-4-7-11-15%2921%2819%2817%2923%2916-12-8-5-9-13-16%2Fh4-13%2C17H%2C2-3%2C14H2%2C1H3,0.0,25.0,43.0,0.229800000786781,5.0,3.10999989509583,2.36999988555908,12.0,12.0,95.2453002929688,4.0,0.0,4.0,18.0,0.0528080388903618
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,2.0,27.0,38.0,1.92560005187988,2.0,3.22000002861023,1.61300003528595,18.0,18.0,99.7927017211914,0.0,0.0,0.0,9.0,3.70793533325195
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%29,1.0,18.0,27.0,0.187299996614456,4.0,1.57000005245209,1.76800000667572,10.0,10.0,29.889799118042,4.0,0.0,0.0,15.0,0.0350812897086143
InChI%3D1S%2FC4H6O2%2Fc1-3-2-4%285%296-3%2Fh3H%2C2H2%2C1H3,0.0,6.0,12.0,-0.0553999990224838,0.0,1.67999994754791,0.321000009775162,0.0,0.0,20.1375007629395,0.0,0.0,0.0,3.0,0.00306916004046798
InChI%3D1S%2FC6H10N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3H%2C1%2C4-5H2%2C2H3,0.0,9.0,20.0,0.149599999189377,5.0,1.67999994754791,-0.0130000002682209,0.0,0.0,38.8488998413086,10.0,0.0,3.0,3.0,0.0223801601678133
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%29,2.0,19.0,26.0,-0.164199993014336,4.0,1.89999997615814,2.62199997901917,10.0,10.0,23.6989002227783,5.0,0.0,3.0,18.0,0.0269616395235062
InChI%3D1S%2FC10H14N2O2%2Fc1-8%2812%282%2911-14%2910%2813%299-6-4-3-5-7-9%2Fh3-8%2C10%2C13H%2C1-2H3,1.0,14.0,28.0,0.686500012874603,4.0,2.11999988555908,0.671000003814697,6.0,6.0,59.3485984802246,8.0,0.0,3.0,6.0,0.471282243728638
InChI%3D1S%2FC7H6N2O4%2Fc1-5-6%288%2810%2911%293-2-4-7%285%299%2812%2913%2Fh2-4H%2C1H3,0.0,13.0,19.0,0.548799991607666,2.0,1.57000005245209,2.68199992179871,6.0,6.0,11.273699760437,2.0,0.0,0.0,12.0,0.301181435585022
InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2,1.0,7.0,14.0,0.206699997186661,0.0,2.00999999046326,0.535000026226044,6.0,6.0,34.5055999755859,0.0,0.0,0.0,7.0,0.0427248887717724
InChI%3D1S%2FC7H8N2O3%2Fc1-12-7-3-2-5%289%2810%2911%294-6%287%298%2Fh2-4H%2C8H2%2C1H3,1.0,12.0,20.0,-0.848299980163574,2.0,1.67999994754791,1.20899999141693,6.0,6.0,14.4237003326416,2.0,0.0,0.0,11.0,0.719612896442413
InChI%3D1S%2FC12H14O4%2Fc1-2-9%2813-5-11-7-15-11%294-10%283-1%2914-6-12-8-16-12%2Fh1-4%2C11-12H%2C5-8H2,0.0,18.0,30.0,-0.160999998450279,6.0,2.33999991416931,0.569999992847443,6.0,6.0,61.7322006225586,2.0,0.0,0.0,8.0,0.0259210001677275
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%29,3.0,14.0,23.0,0.59799998998642,4.0,1.24000000953674,1.09899997711182,0.0,0.0,31.4605007171631,6.0,0.0,2.0,12.0,0.357603996992111
InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2,0.0,13.0,26.0,2.20379996299744,9.0,1.24000000953674,1.60500001907349,0.0,0.0,56.1287002563477,14.0,0.0,2.0,5.0,4.85673427581787
InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2,0.0,3.0,7.0,-0.130899995565414,0.0,1.57000005245209,-0.189999997615814,0.0,0.0,11.0434999465942,0.0,0.0,0.0,0.0,0.0171348098665476
InChI%3D1S%2FC4H5NS%2Fc1-2-3-5-4-6%2Fh2H%2C1%2C3H2,0.0,5.0,11.0,0.759199976921082,2.0,1.67999994754791,1.72099995613098,0.0,0.0,30.1049995422363,6.0,0.0,3.0,3.0,0.576384663581848
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%29,3.0,32.0,44.0,-1.47549998760223,7.0,2.11999988555908,6.52899980545044,18.0,18.0,23.2910003662109,3.0,0.0,0.0,30.0,2.17710018157959