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

SMILES,XLogP,nRotB,MLogP,nAtomLAC,nHBDon,AMR,ALogp2,nAtomP,naAromAtom,nAromBond,nAtom,nB,nAtomLC,LipinskiFailures,ALogP
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,3.22399997711182,0.0,2.55999994277954,0.0,2.0,49.1528015136719,3.7939248085022,10.0,10.0,11.0,18.0,11.0,0.0,0.0,1.94780004024506
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%29,1.75300002098083,3.0,1.57000005245209,2.0,1.0,26.1991996765137,0.101251237094402,16.0,10.0,10.0,24.0,18.0,4.0,0.0,0.318199992179871
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%29,2.2260000705719,5.0,1.67999994754791,2.0,2.0,49.9392013549805,0.695222437381744,10.0,5.0,5.0,35.0,21.0,5.0,0.0,-0.83380001783371
InChI%3D1S%2FC12H5Cl5%2Fc13-8-3-1-2-6%2810%288%2915%297-4-5-9%2814%2912%2817%2911%287%2916%2Fh1-5H,4.27099990844727,1.0,2.23000001907349,0.0,0.0,83.0523986816406,18.1399326324463,12.0,12.0,12.0,22.0,18.0,0.0,0.0,4.25909996032715
InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2,-0.861999988555908,1.0,1.57000005245209,0.0,1.0,17.0060005187988,0.411650568246841,0.0,0.0,0.0,11.0,5.0,2.0,0.0,-0.641600012779236
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%29,2.11100006103516,2.0,2.23000001907349,2.0,2.0,64.2021026611328,0.00708964001387358,8.0,6.0,6.0,29.0,18.0,2.0,0.0,0.0842000022530556
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%29,1.18900001049042,4.0,1.46000003814697,2.0,1.0,24.550199508667,0.408448815345764,8.0,5.0,10.0,26.0,19.0,5.0,0.0,-0.639100015163422
InChI%3D1S%2FC8H12N2O3%2Fc1-3-8%284-2%295%2811%299-7%2813%2910-6%288%2912%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29,1.42299997806549,2.0,1.78999996185303,2.0,2.0,44.8168983459473,0.666998863220215,8.0,0.0,0.0,25.0,13.0,2.0,0.0,-0.816699981689453
InChI%3D1S%2FC4H9N3O%2Fc8-6-7-3-1-5-2-4-7%2Fh5H%2C1-4H2,-0.642000019550323,1.0,1.46000003814697,0.0,1.0,30.8059005737305,0.237948834896088,3.0,0.0,0.0,17.0,8.0,2.0,0.0,-0.487800002098083
InChI%3D1S%2FC6H7ClN2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H%2C8-9H2,0.409000009298325,0.0,1.78999996185303,0.0,2.0,42.771598815918,0.386013686656952,8.0,6.0,6.0,16.0,9.0,0.0,0.0,-0.621299982070923
InChI%3D1S%2FC9H12N2O%2Fc1-11%2810-12%298-7-9-5-3-2-4-6-9%2Fh2-6H%2C7-8H2%2C1H3,1.39699995517731,4.0,2.11999988555908,2.0,0.0,53.2535018920898,2.14183235168457,6.0,6.0,6.0,24.0,12.0,6.0,0.0,1.46350002288818
InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2,2.76999998092651,3.0,1.67999994754791,2.0,0.0,77.7978973388672,7.41854190826416,5.0,0.0,0.0,27.0,19.0,7.0,0.0,2.72370004653931
InChI%3D1S%2FC14H12N4O2%2Fc15-5-1-2-6%2816%2910-9%285%2913%2819%2911-7%2817%293-4-8%2818%2912%2811%2914%2810%2920%2Fh1-4H%2C15-18H2,-1.60000002384186,0.0,2.33999991416931,0.0,4.0,81.9224014282227,10.8240995407104,20.0,12.0,12.0,32.0,22.0,0.0,0.0,-3.28999996185303
InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3,0.722000002861023,2.0,1.67999994754791,2.0,1.0,45.0453987121582,0.57380622625351,0.0,0.0,0.0,21.0,10.0,3.0,0.0,0.757499992847443
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%2C1H3,1.75199997425079,2.0,2.77999997138977,2.0,1.0,76.3904037475586,0.899841964244843,16.0,12.0,12.0,31.0,20.0,5.0,0.0,0.948599994182587
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%2C1-4H3,7.65399980545044,16.0,3.66000008583069,7.0,0.0,106.09700012207,0.59382438659668,12.0,6.0,6.0,66.0,28.0,11.0,2.0,-0.770600020885468
InChI%3D1S%2FC9H10N4S%2Fc10-7-3-1-6%282-4-7%298-5-14-9%2812-8%2913-11%2Fh1-5H%2C10-11H2%2C%28H%2C12%2C13%29,-0.528999984264374,2.0,1.89999997615814,0.0,4.0,64.4610977172852,0.0240250006318092,7.0,6.0,6.0,28.0,15.0,2.0,0.0,-0.155000001192093
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,-0.0810000002384186,5.0,2.55999994277954,0.0,2.0,102.843399047852,0.0519840009510517,9.0,12.0,12.0,45.0,26.0,3.0,0.0,0.228000000119209
InChI%3D1S%2FCH2ClF%2Fc2-1-3%2Fh1H2,1.38199996948242,0.0,1.35000002384186,0.0,0.0,11.5198001861572,0.600624978542328,0.0,0.0,0.0,5.0,2.0,3.0,0.0,0.774999976158142
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%2C2H3,3.49300003051758,0.0,3.44000005722046,2.0,2.0,88.3620986938477,2.29068231582642,7.0,6.0,6.0,46.0,25.0,2.0,0.0,1.51349997520447
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,3.88199996948242,1.0,1.01999998092651,2.0,0.0,41.8779983520508,11.4000768661499,0.0,0.0,0.0,8.0,7.0,8.0,0.0,3.37639999389648
InChI%3D1S%2FC5H10N2O3%2Fc1-7%286-10%294-2-3-5%288%299%2Fh2-4H2%2C1H3%2C%28H%2C8%2C9%29,-0.377000004053116,5.0,1.46000003814697,4.0,1.0,33.7461013793945,0.242950409650803,3.0,0.0,0.0,20.0,9.0,10.0,0.0,-0.492900013923645
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H,1.08299994468689,0.0,1.89999997615814,0.0,1.0,34.1668014526367,0.076839841902256,8.0,6.0,6.0,14.0,8.0,0.0,0.0,0.277200013399124
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%2C1-5H3,0.904999971389771,9.0,2.89000010490417,5.0,2.0,99.7536010742188,0.222029432654381,5.0,0.0,0.0,58.0,28.0,12.0,0.0,0.471199989318848
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%2C1-2H3,2.67700004577637,3.0,3.0,2.0,0.0,84.1917037963867,1.67780208587646,17.0,12.0,12.0,35.0,22.0,7.0,0.0,1.29530000686646
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,2.57100009918213,1.0,2.67000007629395,0.0,1.0,61.0769004821777,3.43175625801086,13.0,12.0,12.0,23.0,14.0,0.0,0.0,1.85249996185303
InChI%3D1S%2FC6H6ClN%2Fc7-4-6-2-1-3-8-5-6%2Fh1-3%2C5H%2C4H2,0.377000004053116,1.0,1.89999997615814,0.0,0.0,36.4939994812012,0.0777852088212967,6.0,6.0,6.0,14.0,8.0,1.0,0.0,0.278899997472763
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,-0.757000029087067,2.0,1.57000005245209,0.0,6.0,64.421501159668,2.14886283874512,4.0,0.0,0.0,38.0,21.0,1.0,1.0,-1.46589994430542
InChI%3D1S%2FC3H4N2O3%2Fc6-3-5%284-7%291-2-8-3%2Fh1-2H2,-0.323000013828278,1.0,1.24000000953674,0.0,0.0,24.3743000030518,0.113366886973381,6.0,0.0,0.0,12.0,8.0,2.0,0.0,0.336699992418289
InChI%3D1S%2FC2H5NS%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,0.742999970912933,0.0,1.46000003814697,2.0,1.0,20.3145999908447,0.30869135260582,2.0,0.0,0.0,9.0,3.0,4.0,0.0,0.555599987506866
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%2C1-2H3,2.45900011062622,2.0,2.67000007629395,0.0,1.0,72.6808013916016,2.58984637260437,15.0,12.0,12.0,32.0,18.0,2.0,0.0,1.60930001735687
InChI%3D1S%2FC8H16N2O3%2Fc1-3-5-6-7-10%289-12%298%2811%2913-4-2%2Fh3-7H2%2C1-2H3,2.22900009155273,8.0,1.78999996185303,5.0,0.0,44.2860984802246,0.0181980095803738,6.0,0.0,0.0,29.0,12.0,13.0,0.0,-0.134900003671646
InChI%3D1S%2FC6H7N3O%2Fc1-9%288-10%296-4-2-3-5-7-6%2Fh2-5H%2C1H3,-0.446999996900558,2.0,1.67999994754791,0.0,0.0,40.3876991271973,0.0501759983599186,9.0,6.0,6.0,17.0,10.0,4.0,0.0,-0.224000006914139
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%2C1H3,0.754999995231628,1.0,2.67000007629395,0.0,1.0,79.405403137207,2.98771214485168,11.0,6.0,6.0,39.0,27.0,2.0,0.0,-1.72850000858307
InChI%3D1S%2FC6H6O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4%2C7-8H,0.653999984264374,0.0,1.89999997615814,0.0,2.0,34.1668014526367,0.076839841902256,8.0,6.0,6.0,14.0,8.0,0.0,0.0,0.277200013399124
InChI%3D1S%2FC12H14N4%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%2Fh1-6H%2C13-16H2,-0.582000017166138,1.0,2.33999991416931,0.0,4.0,73.6706008911133,5.62258958816528,16.0,12.0,12.0,30.0,17.0,0.0,0.0,-2.37120008468628
InChI%3D1S%2FC2H5NO2%2Fc1-5-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,0.497000008821487,1.0,1.35000002384186,0.0,2.0,15.5243997573853,0.326612263917923,4.0,0.0,0.0,10.0,4.0,5.0,0.0,0.57150000333786
InChI%3D1S%2FC5H10N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H2,0.818000018596649,1.0,1.67999994754791,0.0,0.0,26.8162994384766,0.911261141300201,3.0,0.0,0.0,18.0,8.0,2.0,0.0,-0.954599976539612
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,0.834999978542328,5.0,1.46000003814697,2.0,1.0,55.7243003845215,0.0070728100836277,5.0,0.0,0.0,29.0,14.0,7.0,0.0,0.0841000005602837
InChI%3D1S%2FC3H5N3O4%2Fc4-3%289%296%285-10%291-2%287%298%2Fh1H2%2C%28H2%2C4%2C9%29%28H%2C7%2C8%29,-0.767000019550323,4.0,1.01999998092651,2.0,3.0,28.9158992767334,0.0140659604221582,6.0,0.0,0.0,15.0,9.0,10.0,0.0,-0.118600003421307
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,1.432000041008,1.0,2.55999994277954,0.0,1.0,63.148998260498,1.27396368980408,13.0,12.0,12.0,24.0,15.0,0.0,0.0,1.12870001792908
InChI%3D1S%2FC5H6O2%2Fc6-4-5-2-1-3-7-5%2Fh1-3%2C6H%2C4H2,0.382999986410141,1.0,1.78999996185303,0.0,1.0,8.89589977264404,0.363367825746536,5.0,5.0,5.0,13.0,7.0,2.0,0.0,-0.602800011634827
InChI%3D1S%2FC2H5N3O2%2Fc1-5%284-7%292%283%296%2Fh1H3%2C%28H2%2C3%2C6%29,-0.149000003933907,2.0,1.12999999523163,0.0,2.0,22.8313007354736,0.180880084633827,6.0,0.0,0.0,12.0,6.0,7.0,0.0,0.425300002098083
InChI%3D1S%2FC9H18N3OP%2Fc1-7-4-10%287%2914%2813%2C11-5-8%2811%292%2912-6-9%2812%293%2Fh7-9H%2C4-6H2%2C1-3H3,0.188999995589256,3.0,1.89999997615814,0.0,0.0,56.4845008850098,2.86387920379639,5.0,0.0,0.0,32.0,16.0,1.0,0.0,-1.69229996204376
InChI%3D1S%2FC14H16N2O2%2Fc1-17-13-7-9%283-5-11%2813%2915%2910-4-6-12%2816%2914%288-10%2918-2%2Fh3-8H%2C15-16H2%2C1-2H3,0.882000029087067,3.0,2.55999994277954,0.0,2.0,79.8580017089844,0.950625002384186,16.0,12.0,12.0,34.0,19.0,2.0,0.0,-0.975000023841858
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3,2.86400008201599,0.0,1.12999999523163,0.0,0.0,26.8490009307861,12.8493576049805,0.0,0.0,0.0,5.0,4.0,4.0,0.0,3.58459997177124
InChI%3D1S%2FC4H8%2Fc1-4%282%293%2Fh1H2%2C2-3H3,1.84800004959106,0.0,1.89999997615814,3.0,0.0,19.9312992095947,3.22525691986084,2.0,0.0,0.0,12.0,3.0,4.0,0.0,1.79589998722076
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%29,2.04299998283386,8.0,3.44000005722046,7.0,3.0,121.12149810791,0.512799203395844,7.0,12.0,12.0,58.0,32.0,11.0,0.0,0.716099977493286
InChI%3D1S%2FC5H11N3O3%2Fc1-2-8%287-11%295%2810%296-3-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29,-0.633000016212463,5.0,1.35000002384186,2.0,2.0,38.9272994995117,0.000207360004424118,6.0,0.0,0.0,22.0,10.0,11.0,0.0,0.0143999997526407
InChI%3D1S%2FC11H14O2%2Fc1-4-5-9-6-7-10%2812-2%2911%288-9%2913-3%2Fh4%2C6-8H%2C1%2C5H2%2C2-3H3,2.54399991035461,4.0,2.45000004768372,3.0,0.0,57.9244995117188,1.53586447238922,8.0,6.0,6.0,27.0,13.0,3.0,0.0,1.2393000125885
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,6.95699977874756,1.0,2.89000010490417,0.0,0.0,2.88579988479614,0.00217155995778739,19.0,16.0,19.0,28.0,22.0,3.0,0.0,-0.0465999990701675
InChI%3D1S%2FC18H12O6%2Fc1-21-11-7-12-13%288-5-6-22-18%288%2924-12%2917-15%2811%2916%2820%2914-9%2819%293-2-4-10%2814%2923-17%2Fh2-8%2C18-19H%2C1H3,1.65199995040894,1.0,2.77999997138977,0.0,1.0,90.2273025512695,1.28890609741211,18.0,12.0,12.0,36.0,28.0,2.0,0.0,-1.13530004024506
InChI%3D1S%2FC5H10N4O2%2Fc10-6-8-2-1-3-9%287-11%295-4-8%2Fh1-5H2,-0.153999999165535,2.0,1.35000002384186,0.0,0.0,39.0746002197266,0.220148637890816,3.0,0.0,0.0,21.0,11.0,2.0,0.0,-0.469199985265732
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%29,2.32599997520447,7.0,2.00999999046326,3.0,4.0,61.6183013916016,3.47188687324524,6.0,6.0,6.0,31.0,17.0,11.0,0.0,1.86329996585846
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,-0.734000027179718,3.0,2.11999988555908,0.0,0.0,78.3058013916016,1.02333450317383,16.0,12.0,12.0,25.0,19.0,3.0,0.0,-1.01160001754761
InChI%3D1S%2FC6H13N3O2%2Fc1-2-3-4-5-9%288-11%296%287%2910%2Fh2-5H2%2C1H3%2C%28H2%2C7%2C10%29,1.76999998092651,6.0,1.57000005245209,5.0,2.0,36.4803009033203,0.228579610586166,6.0,0.0,0.0,24.0,10.0,11.0,0.0,-0.478100001811981
InChI%3D1S%2FC9H17NO2%2Fc10-7-9%286-8%2811%2912%294-2-1-3-5-9%2Fh1-7%2C10H2%2C%28H%2C11%2C12%29,1.39100003242493,3.0,2.11999988555908,2.0,2.0,41.7888984680176,4.21193552017212,3.0,0.0,0.0,29.0,12.0,4.0,0.0,-2.05229997634888
InChI%3D1S%2FC9H8O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-4H%2C5-6H2,0.76800000667572,0.0,2.23000001907349,0.0,0.0,44.7696990966797,0.588442385196686,9.0,6.0,6.0,19.0,12.0,0.0,0.0,0.767099976539612
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%29,6.07000017166138,2.0,2.77999997138977,2.0,1.0,13.9007997512817,0.00514088990166783,15.0,12.0,12.0,29.0,17.0,4.0,1.0,-0.0716999992728233
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%29,0.544000029563904,3.0,1.67999994754791,3.0,4.0,60.3378982543945,1.40043556690216,4.0,0.0,0.0,33.0,16.0,6.0,0.0,1.18340003490448
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%29,2.20499992370605,3.0,1.67999994754791,0.0,3.0,19.2633991241455,0.222689613699913,9.0,6.0,6.0,28.0,17.0,2.0,0.0,-0.47189998626709
InChI%3D1S%2FC3H5N3O9%2Fc7-4%288%2913-1-3%2815-6%2811%2912%292-14-5%289%2910%2Fh3H%2C1-2H2,0.976000010967255,8.0,0.469999998807907,3.0,0.0,25.5303001403809,0.00487203989177942,4.0,0.0,0.0,20.0,14.0,15.0,0.0,-0.0697999969124794
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%29,0.791000008583069,13.0,3.99000000953674,2.0,3.0,216.126693725586,9.83637809753418,23.0,24.0,24.0,89.0,55.0,4.0,2.0,3.1363000869751
InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2,3.0550000667572,2.0,1.46000003814697,3.0,0.0,35.636100769043,6.2235279083252,0.0,0.0,0.0,11.0,5.0,6.0,0.0,2.49469995498657
InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-2-1-3-8%284-7%296-10%2Fh1-4H2,-0.017000000923872,2.0,1.24000000953674,0.0,0.0,33.8841018676758,0.237071603536606,3.0,0.0,0.0,18.0,10.0,2.0,0.0,-0.486900001764297
InChI%3D1S%2FC14H8O4%2Fc15-9-5-1-3-7-11%289%2914%2818%2912-8%2813%287%2917%294-2-6-10%2812%2916%2Fh1-6%2C15-16H,0.206000000238419,0.0,2.55999994277954,0.0,2.0,70.934196472168,0.137344360351562,18.0,12.0,12.0,26.0,20.0,0.0,0.0,0.370599985122681
InChI%3D1S%2FC2H3F%2Fc1-2-3%2Fh2H%2C1H2,1.08800005912781,0.0,1.57000005245209,2.0,0.0,10.1890001296997,0.294957607984543,2.0,0.0,0.0,6.0,2.0,3.0,0.0,0.543099999427795
InChI%3D1S%2FC6H9NO%2Fc1-2-7-5-3-4-6%287%298%2Fh2H%2C1%2C3-5H2,0.282999992370605,1.0,1.89999997615814,2.0,0.0,29.0034008026123,0.47596201300621,5.0,0.0,0.0,17.0,8.0,2.0,0.0,-0.689899981021881
InChI%3D1S%2FC7H5NS2%2Fc9-7-8-5-3-1-2-4-6%285%2910-7%2Fh1-4H%2C%28H%2C8%2C9%29,1.20200002193451,0.0,1.89999997615814,0.0,0.0,52.7841987609863,3.64580845832825,7.0,6.0,6.0,17.0,11.0,0.0,0.0,1.90939998626709
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%2C1-6H2,4.01100015640259,12.0,1.24000000953674,3.0,0.0,83.1691970825195,18.3655109405518,5.0,0.0,0.0,35.0,19.0,20.0,1.0,4.28550004959106
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%2C1-3H3,9.63399982452393,26.0,3.76999998092651,8.0,0.0,106.715103149414,19.0287895202637,3.0,0.0,0.0,83.0,32.0,33.0,2.0,-4.3621997833252
InChI%3D1S%2FC13H14N2%2Fc14-12-5-1-10%282-6-12%299-11-3-7-13%2815%298-4-11%2Fh1-8H%2C9%2C14-15H2,0.924000024795532,2.0,2.67000007629395,0.0,2.0,71.1719970703125,0.228866562247276,7.0,12.0,12.0,29.0,16.0,0.0,0.0,0.478399991989136
InChI%3D1S%2FC6H12N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3%2C6%2C9H%2C1%2C4-5H2%2C2H3,0.090999998152256,5.0,1.67999994754791,3.0,1.0,40.089900970459,0.0248062498867512,3.0,0.0,0.0,22.0,9.0,10.0,0.0,0.157499998807907
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%2C1-3H3,5.11899995803833,0.0,3.44000005722046,0.0,2.0,91.8352966308594,0.578208148479462,5.0,0.0,0.0,56.0,27.0,1.0,1.0,0.760399997234344
InChI%3D1S%2FC14H14ClN3O2S%2Fc1-8-4-3-5-10%289%288%292%2916-12-6-11%2815%2917-14%2818-12%2921-7-13%2819%2920%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C16%2C17%2C18%29,1.17999994754791,4.0,2.23000001907349,2.0,3.0,87.6377029418945,6.3529200553894,9.0,6.0,6.0,39.0,22.0,5.0,0.0,2.52049994468689
InChI%3D1S%2FC12H12N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10%2C13-14H,2.37599992752075,3.0,2.55999994277954,0.0,2.0,67.1669998168945,1.15004181861877,14.0,12.0,12.0,26.0,15.0,2.0,0.0,1.07239997386932
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%2C1H3,2.05100011825562,1.0,2.77999997138977,2.0,1.0,74.5651016235352,0.477757453918457,14.0,13.0,15.0,30.0,18.0,2.0,0.0,0.691200017929077
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,0.526000022888184,0.0,1.78999996185303,0.0,0.0,16.86669921875,0.499707609415054,0.0,0.0,0.0,13.0,5.0,0.0,0.0,-0.706900000572205
InChI%3D1S%2FC3H7NO%2Fc1-3%282%294-5%2Fh5H%2C1-2H3,0.428000003099442,0.0,1.57000005245209,3.0,1.0,19.729700088501,0.0408444106578827,3.0,0.0,0.0,12.0,4.0,5.0,0.0,-0.202099993824959
InChI%3D1S%2FCH4N2O2%2Fc2-1-3%284%295%2Fh1-2H2,-0.968999981880188,1.0,1.12999999523163,0.0,1.0,11.4048004150391,3.61456155776978,2.0,0.0,0.0,9.0,4.0,5.0,0.0,-1.90120005607605
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%29,2.3529999256134,8.0,1.89999997615814,4.0,1.0,49.8160018920898,0.860070765018463,6.0,0.0,0.0,33.0,13.0,14.0,0.0,-0.92739999294281
InChI%3D1S%2FC6H6N2O3%2Fc7-5-3-4%288%2810%2911%291-2-6%285%299%2Fh1-3%2C9H%2C7H2,1.11899995803833,1.0,1.57000005245209,0.0,2.0,9.67249965667725,1.57954621315002,11.0,6.0,6.0,17.0,11.0,2.0,0.0,-1.25680005550385
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%2C1H3,3.65100002288818,1.0,2.55999994277954,0.0,0.0,19.0799007415771,0.00459684012457728,19.0,12.0,12.0,29.0,22.0,2.0,0.0,0.0678000003099442
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,-0.99099999666214,2.0,2.23000001907349,0.0,2.0,76.3081970214844,0.819749176502228,17.0,12.0,12.0,29.0,18.0,2.0,0.0,-0.905399978160858
InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3,0.800999999046326,0.0,1.78999996185303,3.0,1.0,22.0650997161865,0.328672885894775,0.0,0.0,0.0,15.0,4.0,5.0,0.0,0.573300004005432
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%29,1.38399994373322,2.0,1.24000000953674,0.0,3.0,27.4755992889404,0.0205922499299049,8.0,5.0,5.0,20.0,15.0,2.0,0.0,0.143500000238419
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%29,1.4539999961853,5.0,2.89000010490417,2.0,1.0,101.468200683594,0.481497198343277,16.0,12.0,12.0,43.0,27.0,4.0,0.0,0.693899989128113
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%2C1-2H3,1.28600001335144,2.0,2.89000010490417,0.0,2.0,79.7360000610352,1.88018941879272,7.0,12.0,12.0,35.0,18.0,0.0,0.0,1.37119996547699
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%29,9.92399978637695,10.0,4.65000009536743,17.0,4.0,151.312805175781,49.1232757568359,21.0,0.0,0.0,75.0,33.0,24.0,1.0,7.00880002975464
InChI%3D1S%2FC12H11N3%2Fc1-7-12-8-4-2-3-5-9%288%2915-10%2812%296-11%2813%2914-7%2Fh2-6%2C15H%2C1H3%2C%28H2%2C13%2C14%29,0.953999996185303,0.0,2.45000004768372,0.0,3.0,61.1085014343262,0.208666235208511,7.0,6.0,6.0,30.0,17.0,0.0,0.0,-0.456800013780594
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%2C1-4H3,2.47399997711182,4.0,3.0,0.0,1.0,93.3126983642578,3.42990398406982,16.0,12.0,12.0,41.0,21.0,3.0,0.0,1.85199999809265
InChI%3D1S%2FC4H8N2O2%2Fc1-4%287%293-6%282%295-8%2Fh3H2%2C1-2H3,-0.628000020980835,3.0,1.46000003814697,3.0,0.0,29.6861991882324,0.218275845050812,3.0,0.0,0.0,16.0,7.0,8.0,0.0,-0.467200011014938
InChI%3D1S%2FC9H13N%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5H%2C10H2%2C1-3H3,1.28900003433228,0.0,2.33999991416931,0.0,1.0,47.3516006469727,2.38980674743652,7.0,6.0,6.0,23.0,10.0,0.0,0.0,1.54589998722076
InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29,0.347000002861023,0.0,1.24000000953674,0.0,4.0,18.7336006164551,0.782163381576538,5.0,0.0,0.0,12.0,6.0,0.0,0.0,-0.884400010108948
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,-0.400000005960464,1.0,2.55999994277954,0.0,0.0,32.6370010375977,0.101187609136105,15.0,12.0,12.0,25.0,18.0,3.0,0.0,-0.31810000538826
InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295,2.86400008201599,0.0,1.12999999523163,0.0,0.0,26.8490009307861,12.8493576049805,0.0,0.0,0.0,5.0,4.0,4.0,0.0,3.58459997177124
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,-1.21200001239777,5.0,1.01999998092651,2.0,3.0,33.9707984924316,0.126025006175041,8.0,5.0,5.0,27.0,16.0,7.0,0.0,-0.354999989271164
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%2C1-3H3,3.51500010490417,3.0,2.77999997138977,0.0,0.0,78.4681015014648,4.53945636749268,15.0,12.0,12.0,35.0,19.0,2.0,0.0,2.13059997558594
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,2.68199992179871,2.0,1.57000005245209,0.0,0.0,11.273699760437,0.301181435585022,12.0,6.0,6.0,19.0,13.0,3.0,0.0,0.548799991607666
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%2C1-3H3,0.46900001168251,5.0,2.45000004768372,3.0,4.0,70.8731002807617,0.0131102502346039,7.0,6.0,6.0,38.0,17.0,8.0,0.0,0.114500001072884
InChI%3D1S%2FC3H5ClO%2Fc4-1-3-2-5-3%2Fh3H%2C1-2H2,0.611999988555908,1.0,1.57000005245209,0.0,0.0,20.056999206543,0.316969007253647,0.0,0.0,0.0,10.0,5.0,1.0,0.0,0.563000023365021
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%29,1.51999998092651,8.0,5.19999980926514,0.0,6.0,289.450012207031,29.7897644042969,11.0,6.0,6.0,182.0,96.0,3.0,2.0,-5.45800018310547
InChI%3D1S%2FC5H11NO2%2Fc1-3-5%284-2%296%287%298%2Fh5H%2C3-4H2%2C1-2H3,1.442999958992,3.0,1.67999994754791,5.0,0.0,23.8108997344971,0.465806245803833,2.0,0.0,0.0,19.0,7.0,8.0,0.0,-0.682500004768372
InChI%3D1S%2FC4H9NO2%2Fc1-4%282%293-7-5-6%2Fh4H%2C3H2%2C1-2H3,1.92999994754791,3.0,1.57000005245209,3.0,0.0,25.7915000915527,2.14593195915222,3.0,0.0,0.0,16.0,6.0,7.0,0.0,-1.46490001678467
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%2C1-2H3,3.03699994087219,5.0,2.55999994277954,2.0,0.0,78.1986999511719,0.00133956002537161,15.0,6.0,6.0,39.0,21.0,5.0,0.0,0.0366000011563301
InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H,0.76800000667572,0.0,2.23000001907349,0.0,0.0,44.7696990966797,0.588442385196686,9.0,6.0,6.0,19.0,12.0,0.0,0.0,0.767099976539612
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,3.61999988555908,0.0,1.46000003814697,0.0,1.0,56.1422996520996,7.20278263092041,7.0,6.0,6.0,13.0,12.0,0.0,0.0,2.68379998207092
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,5.95599985122681,0.0,3.66000008583069,0.0,0.0,93.4252014160156,9.69201469421387,20.0,20.0,24.0,32.0,24.0,0.0,1.0,3.11319994926453
InChI%3D1S%2FC6H12N2OS2%2Fc1-4-8%287-9%295%282%2911-6%283%2910-4%2Fh4-6H%2C1-3H3,1.8289999961853,1.0,1.57000005245209,0.0,0.0,49.611499786377,6.18666124343872,3.0,0.0,0.0,23.0,11.0,1.0,0.0,2.48729991912842
InChI%3D1S%2FC10H16%2Fc1-8%282%2910-6-4-9%283%295-7-10%2Fh4%2C10H%2C1%2C5-7H2%2C2-3H3,3.72900009155273,1.0,2.55999994277954,0.0,0.0,46.0152015686035,4.58987760543823,2.0,0.0,0.0,26.0,10.0,2.0,0.0,2.14240002632141
InChI%3D1S%2FC12H26N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-14%282%2913-15%2Fh3-12H2%2C1-2H3,5.05800008773804,11.0,2.45000004768372,11.0,0.0,51.1691017150879,6.45464849472046,3.0,0.0,0.0,41.0,14.0,15.0,2.0,-2.54060006141663
InChI%3D1S%2FC18H16N2O7S2%2Fc1-10-3-6-15%2811%282%297-10%2919-20-17-14-9-13%2828%2822%2C23%2924%295-4-12%2814%298-16%2818%2817%2921%2929%2825%2C26%2927%2Fh3-9%2C19H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29,-0.305999994277954,4.0,2.23000001907349,0.0,3.0,113.425003051758,0.316969007253647,27.0,12.0,12.0,45.0,31.0,3.0,0.0,0.563000023365021
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%2C1-4H3,0.0799999982118607,0.0,2.67000007629395,0.0,1.0,93.2130966186523,1.03347551822662,4.0,0.0,0.0,54.0,29.0,0.0,0.0,-1.01660001277924
InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3,2.0699999332428,3.0,1.78999996185303,6.0,0.0,30.1527004241943,0.249000996351242,5.0,0.0,0.0,20.0,8.0,9.0,0.0,-0.499000012874603
InChI%3D1S%2FC7H3Cl5O%2Fc1-13-7-5%2811%293%289%292%288%294%2810%296%287%2912%2Fh1H3,3.94099998474121,1.0,1.57000005245209,0.0,0.0,61.1803016662598,7.5531530380249,7.0,6.0,6.0,16.0,13.0,2.0,0.0,2.74830007553101
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%2C1-6H2,5.55000019073486,12.0,1.24000000953674,3.0,0.0,101.070198059082,26.5482559204102,5.0,0.0,0.0,35.0,19.0,20.0,2.0,5.15250015258789
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%29,1.39199995994568,2.0,1.46000003814697,0.0,3.0,41.6189994812012,0.109032042324543,4.0,0.0,0.0,21.0,10.0,4.0,0.0,0.330199986696243
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%2C1-2H3,3.03500008583069,0.0,3.32999992370605,0.0,1.0,82.4268035888672,0.0306250005960464,2.0,0.0,0.0,49.0,24.0,0.0,0.0,0.174999997019768
InChI%3D1S%2FC7H10N2%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C8-9H2%2C1H3,0.0130000002682209,0.0,2.00999999046326,0.0,2.0,42.3373985290527,0.295500963926315,8.0,6.0,6.0,19.0,9.0,0.0,0.0,-0.543600022792816
InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2,-0.379999995231628,0.0,1.67999994754791,0.0,0.0,22.0869998931885,0.0685392394661903,0.0,0.0,0.0,14.0,6.0,0.0,0.0,-0.261799991130829
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%29,1.80499994754791,2.0,2.67000007629395,2.0,1.0,72.8276977539062,3.26488757133484,15.0,12.0,12.0,29.0,18.0,4.0,0.0,1.80690002441406
InChI%3D1S%2FC7H8N2O%2Fc1-9%288-10%297-5-3-2-4-6-7%2Fh2-6H%2C1H3,0.620999991893768,2.0,1.89999997615814,0.0,0.0,44.6372985839844,0.893213987350464,9.0,6.0,6.0,18.0,10.0,4.0,0.0,0.945100009441376
InChI%3D1S%2FC8H6N4O5%2Fc13-6-4-11%288%2814%2910-6%299-3-5-1-2-7%2817-5%2912%2815%2916%2Fh1-3H%2C4H2%2C%28H%2C10%2C13%2C14%29,0.880999982357025,3.0,1.35000002384186,0.0,0.0,32.3368988037109,1.64070475101471,16.0,5.0,5.0,23.0,18.0,2.0,0.0,-1.28090000152588
InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2,0.759999990463257,3.0,1.57000005245209,0.0,0.0,50.7221984863281,0.579273223876953,5.0,0.0,0.0,23.0,13.0,1.0,0.0,-0.761099994182587
InChI%3D1S%2FC8H6N4O4S%2Fc1-4%2813%299-8-11-10-7%2817-8%295-2-3-6%2816-5%2912%2814%2915%2Fh2-3H%2C1H3%2C%28H%2C9%2C11%2C13%29,1.28699994087219,3.0,1.35000002384186,2.0,2.0,26.1991996765137,0.101251237094402,16.0,5.0,5.0,24.0,18.0,4.0,0.0,0.318199992179871
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%2C17H2,3.10800004005432,5.0,2.89000010490417,3.0,1.0,84.3436965942383,2.58309173583984,10.0,12.0,12.0,34.0,20.0,6.0,0.0,1.60720002651215
InChI%3D1S%2FC7H7NO3%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3,1.46599996089935,0.0,2.45000004768372,0.0,0.0,52.7025985717773,0.564151227474213,11.0,10.0,11.0,20.0,12.0,0.0,0.0,0.75110000371933
InChI%3D1S%2FC7H7FN2O%2Fc1-10%289-11%297-4-2-6%288%293-5-7%2Fh2-5H%2C1H3,0.526000022888184,2.0,1.78999996185303,0.0,0.0,44.7650985717773,0.730854034423828,9.0,6.0,6.0,18.0,11.0,4.0,0.0,0.854900002479553
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,-2.98799991607666,9.0,2.33999991416931,0.0,8.0,214.381393432617,11.8625135421753,56.0,24.0,24.0,80.0,61.0,3.0,2.0,-3.44420003890991
InChI%3D1S%2FCH4N2S%2Fc2-1%283%294%2Fh%28H4%2C2%2C3%2C4%29,1.17999994754791,4.0,2.23000001907349,2.0,2.0,87.6377029418945,6.3529200553894,9.0,6.0,6.0,39.0,22.0,5.0,0.0,2.52049994468689
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%29,3.38199996948242,5.0,3.76999998092651,3.0,3.0,162.10270690918,3.20016312599182,18.0,14.0,16.0,80.0,49.0,4.0,0.0,-1.78890001773834
InChI%3D1S%2FC7H4N2O3S%2Fc10-9%2811%297-2-1-6%2812-7%295-3-13-4-8-5%2Fh1-4H,1.74300003051758,2.0,1.57000005245209,0.0,1.0,12.2983999252319,0.152022004127502,8.0,5.0,5.0,21.0,14.0,3.0,0.0,0.389899998903275
InChI%3D1S%2FC3H3N3O3%2Fc7-2-1-6%285-9%293%288%294-2%2Fh1H2%2C%28H%2C4%2C7%2C8%29,-0.976999998092651,1.0,1.12999999523163,0.0,1.0,26.4381008148193,0.420552253723145,8.0,0.0,0.0,12.0,9.0,2.0,0.0,-0.648500025272369
InChI%3D1S%2FC7H14N2O%2Fc10-8-9-6-4-2-1-3-5-7-9%2Fh1-7H2,1.74500000476837,1.0,1.89999997615814,0.0,0.0,32.6394996643066,2.34273624420166,3.0,0.0,0.0,24.0,10.0,2.0,0.0,-1.53059995174408
InChI%3D1S%2FC2H2F4%2Fc3-1-2%284%2C5%296%2Fh1H2,2.26300001144409,1.0,1.24000000953674,2.0,0.0,12.0193004608154,2.52619242668152,0.0,0.0,0.0,8.0,5.0,6.0,0.0,1.58940005302429
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%2C1-2H3,2.06800007820129,4.0,2.89000010490417,2.0,1.0,86.6268005371094,0.475410252809525,17.0,12.0,12.0,36.0,20.0,2.0,0.0,0.689499974250793
InChI%3D1S%2FC15H11NO2%2Fc1-8-6-7-11-12%2813%288%2916%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C16H2%2C1H3,0.479000002145767,0.0,2.77999997138977,0.0,1.0,75.5550003051758,0.557262241840363,17.0,12.0,12.0,29.0,20.0,0.0,0.0,0.746500015258789
InChI%3D1S%2FC12H8Cl2%2Fc13-11-5-1-3-9%287-11%2910-4-2-6-12%2814%298-10%2Fh1-8H,2.96199989318848,1.0,2.55999994277954,0.0,0.0,68.9038009643555,9.94140911102295,12.0,12.0,12.0,22.0,15.0,0.0,0.0,3.15300011634827
InChI%3D1S%2FC6H13NO%2Fc1-4-7%285-2%296%283%298%2Fh4-5H2%2C1-3H3,0.698000013828278,3.0,1.89999997615814,2.0,0.0,32.8469009399414,0.00648025004193187,3.0,0.0,0.0,21.0,7.0,8.0,0.0,0.0804999992251396
InChI%3D1S%2FC3H4O2%2Fc4-2-1-3-5%2Fh1-4H,-0.0439999997615814,1.0,1.57000005245209,3.0,1.0,18.0569000244141,0.219585955142975,5.0,0.0,0.0,9.0,4.0,5.0,0.0,-0.468600004911423
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%2C6H2,0.165000006556511,2.0,2.00999999046326,0.0,0.0,48.7565994262695,1.45347130298615,6.0,6.0,6.0,24.0,14.0,2.0,0.0,-1.20560002326965
InChI%3D1S%2FC2H5N5O3%2Fc1-6%285-8%292%283%294-7%289%2910%2Fh1H3%2C%28H2%2C3%2C4%29,-0.790000021457672,4.0,0.800000011920929,0.0,2.0,14.2807998657227,0.834664940834045,9.0,0.0,0.0,15.0,9.0,10.0,0.0,-0.913600027561188
InChI%3D1S%2FC10H8N4%2Fc11-8-5-4-7-10%2813-8%2914-6-2-1-3-9%2814%2912-7%2Fh1-6H%2C%28H2%2C11%2C13%29,0.861999988555908,0.0,2.11999988555908,0.0,3.0,45.557300567627,3.15204524993896,3.0,0.0,0.0,32.0,16.0,0.0,0.0,-1.77540004253387
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,0.901000022888184,0.0,1.89999997615814,0.0,1.0,39.2218017578125,0.33108514547348,7.0,6.0,6.0,14.0,8.0,0.0,0.0,0.575399994850159
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%2C1-3H3,6.34200000762939,8.0,4.09999990463257,4.0,0.0,132.098602294922,13.3006086349487,21.0,18.0,18.0,57.0,30.0,6.0,1.0,3.6470000743866
InChI%3D1S%2FC7H5NO4%2Fc9-7%2810%295-1-3-6%284-2-5%298%2811%2912%2Fh1-4H%2C%28H%2C9%2C10%29,4.36899995803833,6.0,3.32999992370605,0.0,1.0,114.379302978516,12.7691879272461,19.0,12.0,12.0,55.0,28.0,10.0,0.0,3.57340002059937
InChI%3D1S%2FC3H5NO%2Fc1-2-3%284%295%2Fh2H%2C1H2%2C%28H2%2C4%2C5%29,0.617999970912933,1.0,1.57000005245209,3.0,2.0,18.5485000610352,0.269568651914597,5.0,0.0,0.0,10.0,4.0,5.0,0.0,0.519200026988983
InChI%3D1S%2FC6H12N2O%2Fc1-6-4-2-3-5-8%286%297-9%2Fh6H%2C2-5H2%2C1H3,1.27799999713898,1.0,1.78999996185303,0.0,0.0,31.4006996154785,0.931804060935974,3.0,0.0,0.0,21.0,9.0,1.0,0.0,-0.965300023555756
InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh2-4H%2C1H3,0.816999971866608,1.0,1.78999996185303,4.0,0.0,22.2698993682861,0.369907230138779,4.0,0.0,0.0,11.0,4.0,5.0,0.0,0.608200013637543
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%29,1.74800002574921,5.0,2.45000004768372,2.0,4.0,80.3808975219727,0.159280806779861,6.0,6.0,6.0,44.0,23.0,5.0,0.0,-0.399100005626678
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%2C1-2H3,1.11800003051758,6.0,2.55999994277954,2.0,0.0,83.9619979858398,0.00760383997112513,7.0,11.0,11.0,37.0,19.0,7.0,0.0,0.0872000008821487
InChI%3D1S%2FC3H6FN3O2%2Fc4-1-2-7%286-9%293%285%298%2Fh1-2H2%2C%28H2%2C5%2C8%29,0.479000002145767,4.0,1.12999999523163,2.0,2.0,27.4314994812012,0.682110786437988,6.0,0.0,0.0,15.0,8.0,9.0,0.0,0.825900018215179
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,7.01999998092651,3.0,2.45000004768372,2.0,0.0,35.7430992126465,9.87530612945557,6.0,12.0,12.0,28.0,20.0,5.0,1.0,3.14249992370605
InChI%3D1S%2FC11H16N4O4%2Fc16-8-4-14%285-9%2817%2912-8%292-1-3-15-6-10%2818%2913-11%2819%297-15%2Fh1-7H2%2C%28H%2C12%2C16%2C17%29%28H%2C13%2C18%2C19%29,-1.40199995040894,4.0,1.78999996185303,3.0,2.0,62.8157997131348,7.55260324478149,5.0,0.0,0.0,35.0,20.0,3.0,0.0,-2.74819993972778
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,-0.549000024795532,6.0,1.78999996185303,2.0,0.0,68.3355026245117,1.0442795753479,10.0,6.0,6.0,31.0,17.0,10.0,0.0,1.02190005779266
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,-0.305999994277954,4.0,2.23000001907349,0.0,3.0,113.349899291992,0.208209693431854,27.0,12.0,12.0,45.0,31.0,3.0,0.0,0.456299990415573
InChI%3D1S%2FC33H40N2O9%2Fc1-38-19-7-8-20-21-9-10-35-16-18-13-27%2844-32%2836%2917-11-25%2839-2%2930%2841-4%2926%2812-17%2940-3%2931%2842-5%2928%2833%2837%2943-6%2922%2818%2915-24%2835%2929%2821%2934-23%2820%2914-19%2Fh7-8%2C11-12%2C14%2C18%2C22%2C24%2C27-28%2C31%2C34H%2C9-10%2C13%2C15-16H2%2C1-6H3,2.32800006866455,10.0,3.88000011444092,0.0,1.0,164.028198242188,2.50493931770325,12.0,12.0,12.0,86.0,49.0,4.0,0.0,-1.58270001411438
InChI%3D1S%2FC9H6N2O2%2Fc12-11%2813%298-5-1-3-7-4-2-6-10-9%287%298%2Fh1-6H,2.7039999961853,1.0,2.00999999046326,0.0,0.0,2.88579988479614,0.00217155995778739,13.0,10.0,11.0,19.0,14.0,3.0,0.0,-0.0465999990701675
InChI%3D1S%2FC7H10N6O3%2Fc1-11-4-8-6%2812%282%299-15%295%2811%297%2814%2913%283%2910-16%2Fh4H%2C1-3H3,-0.568000018596649,5.0,1.24000000953674,0.0,1.0,56.2779998779297,0.221652641892433,5.0,0.0,0.0,30.0,16.0,6.0,0.0,-0.470800012350082
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%29,1.26800000667572,1.0,2.77999997138977,2.0,1.0,75.6056976318359,1.5428124666214,17.0,12.0,12.0,29.0,20.0,4.0,0.0,1.24210000038147
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,-0.245000004768372,4.0,2.45000004768372,2.0,2.0,95.6656036376953,0.203400999307632,21.0,12.0,12.0,39.0,24.0,4.0,0.0,0.45100000500679
InChI%3D1S%2FC15H32N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-14-15-17%282%2916-18%2Fh3-15H2%2C1-2H3,6.7649998664856,14.0,2.77999997138977,14.0,0.0,59.9039001464844,11.5913009643555,3.0,0.0,0.0,50.0,17.0,18.0,2.0,-3.40459990501404
InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29,-0.857999980449677,4.0,1.12999999523163,2.0,3.0,29.1236000061035,0.0130188101902604,6.0,0.0,0.0,16.0,8.0,9.0,0.0,-0.114100001752377
InChI%3D1S%2FC7H8%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3,2.47399997711182,0.0,2.23000001907349,0.0,0.0,35.2378005981445,3.42176008224487,6.0,6.0,6.0,15.0,7.0,0.0,0.0,1.84979999065399
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%2C1-4H3,1.02699995040894,0.0,2.77999997138977,2.0,1.0,94.714599609375,0.153663992881775,5.0,0.0,0.0,53.0,27.0,2.0,0.0,0.391999989748001
InChI%3D1S%2FC2H6N2O%2Fc1-3-4%282%295%2Fh1-2H3,0.23199999332428,0.0,1.35000002384186,0.0,0.0,14.775899887085,1.00520670413971,3.0,0.0,0.0,11.0,4.0,5.0,0.0,-1.0025999546051
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%29,3.21099996566772,9.0,2.45000004768372,4.0,1.0,81.5868988037109,3.52913784980774,7.0,6.0,6.0,38.0,19.0,7.0,0.0,1.87860000133514
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%29,1.67499995231628,3.0,1.67999994754791,0.0,2.0,30.6247997283936,1.03205275535583,15.0,0.0,0.0,25.0,17.0,7.0,0.0,1.01590001583099
InChI%3D1S%2FC4H6N2S%2Fc1-6-3-2-5-4%286%297%2Fh2-3H%2C1H3%2C%28H%2C5%2C7%29,-0.0450000017881393,0.0,1.57000005245209,0.0,1.0,33.3986015319824,0.898135304450989,0.0,0.0,0.0,17.0,7.0,0.0,0.0,0.947700023651123
InChI%3D1S%2FC7H6O3%2Fc8-5-1-2-6-7%283-5%2910-4-9-6%2Fh1-3%2C8H%2C4H2,1.14199995994568,0.0,1.89999997615814,0.0,1.0,38.6888008117676,0.126736000180244,9.0,6.0,6.0,16.0,11.0,0.0,0.0,-0.356000006198883
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%29,2.29200005531311,2.0,2.45000004768372,0.0,1.0,63.7247009277344,3.01439046859741,14.0,10.0,11.0,26.0,16.0,5.0,0.0,1.73619997501373
InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H,1.60399997234344,0.0,2.00999999046326,0.0,0.0,35.6720008850098,3.14033842086792,6.0,6.0,6.0,12.0,7.0,0.0,0.0,1.77209997177124
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,-0.250999987125397,8.0,1.24000000953674,2.0,8.0,83.9918975830078,0.0226201601326466,4.0,0.0,0.0,42.0,21.0,5.0,1.0,-0.150399997830391
InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29,-1.49500000476837,5.0,1.67999994754791,4.0,2.0,40.1720008850098,0.230304002761841,3.0,0.0,0.0,23.0,9.0,10.0,0.0,-0.479900002479553
InChI%3D1S%2FC34H27N9O7S2%2Fc35-22-10-15-27%2826%2836%2918-22%2941-38-24-11-6-19%287-12-24%2920-8-13-25%2814-9-20%2940-42-32-28%2851%2845%2C46%2947%2916-21-17-29%2852%2848%2C49%2950%2933%2834%2844%2930%2821%2931%2832%2937%2943-39-23-4-2-1-3-5-23%2Fh1-18%2C39H%2C35-37H2%2C%28H%2C45%2C46%2C47%29%28H%2C48%2C49%2C50%29,0.570999979972839,1.0,1.46000003814697,2.0,6.0,16.4715003967285,0.122570008039474,2.0,0.0,0.0,7.0,3.0,4.0,0.0,0.350100010633469
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%29,1.05599999427795,8.0,2.77999997138977,3.0,3.0,99.2518005371094,3.2479248046875,7.0,6.0,6.0,57.0,28.0,5.0,0.0,-1.80219995975494
InChI%3D1S%2FC9H16N2O2S2%2Fc14-9%2810-1-5-12-6-2-10%2915-11-3-7-13-8-4-11%2Fh1-8H2,0.188999995589256,3.0,1.78999996185303,0.0,0.0,67.0607986450195,1.37147521972656,3.0,0.0,0.0,31.0,16.0,3.0,0.0,1.17110002040863
InChI%3D1S%2FC5H8%2Fc1-4-5%282%293%2Fh4H%2C1-2H2%2C3H3,2.34800004959106,1.0,2.00999999046326,4.0,0.0,24.5764007568359,3.46480989456177,4.0,0.0,0.0,13.0,4.0,5.0,0.0,1.8614000082016
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%2C1-3H3,0.301999986171722,2.0,2.00999999046326,0.0,2.0,43.0320014953613,0.0414122492074966,6.0,6.0,6.0,19.0,9.0,3.0,0.0,0.203500002622604
InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3,1.5,0.0,2.33999991416931,0.0,1.0,47.3516006469727,2.38980674743652,7.0,6.0,6.0,23.0,10.0,0.0,0.0,1.54589998722076
InChI%3D1S%2FC4H6O2%2Fc1-3-6-4%282%295%2Fh3H%2C1H2%2C2H3,0.694000005722046,2.0,1.67999994754791,2.0,0.0,21.1049995422363,0.0110880900174379,5.0,0.0,0.0,12.0,5.0,6.0,0.0,0.10530000180006
InChI%3D1S%2FC6H9NO6%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29,-1.79100000858307,6.0,1.35000002384186,2.0,3.0,38.2419013977051,1.72029459476471,3.0,0.0,0.0,22.0,12.0,13.0,0.0,-1.31159996986389
InChI%3D1S%2FC11H10N4%2Fc1-7-3-2-6-15-10%287%2913-8-4-5-9%2812%2914-11%288%2915%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29,1.15900003910065,0.0,2.23000001907349,0.0,3.0,52.7211990356445,0.656748175621033,3.0,0.0,0.0,35.0,17.0,0.0,0.0,-0.810400009155273
InChI%3D1S%2FC4H7F3N2O%2Fc1-2-9%288-10%293-4%285%2C6%297%2Fh2-3H2%2C1H3,1.57299995422363,4.0,1.24000000953674,2.0,0.0,29.7943992614746,1.81872200965881,3.0,0.0,0.0,17.0,9.0,10.0,0.0,1.34860002994537
InChI%3D1S%2FC6H12N2O3%2Fc1-8%282%297-5%289%293-4-6%2810%2911%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C9%29%28H%2C10%2C11%29,-0.247999995946884,4.0,1.57000005245209,4.0,2.0,39.0854988098145,0.00115599995478988,4.0,0.0,0.0,23.0,10.0,11.0,0.0,-0.034000001847744
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%29,1.34500002861023,9.0,1.57000005245209,5.0,5.0,64.0654983520508,0.273424416780472,7.0,0.0,0.0,40.0,21.0,9.0,0.0,-0.522899985313416
InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,2.46600008010864,0.0,1.67999994754791,0.0,1.0,46.7098999023438,3.78847289085388,7.0,6.0,6.0,13.0,10.0,0.0,0.0,1.94640004634857
InChI%3D1S%2FC3H4O2%2Fc4-3-1-2-5-3%2Fh1-2H2,-0.138999998569489,0.0,1.57000005245209,0.0,0.0,15.5530996322632,0.00199808995239437,3.0,0.0,0.0,9.0,5.0,0.0,0.0,-0.0447000004351139
InChI%3D1S%2FC12H11N3%2Fc1-7-6-9-8-4-2-3-5-10%288%2914-12%289%2915-11%287%2913%2Fh2-6H%2C1H3%2C%28H3%2C13%2C14%2C15%29,1.28199994564056,0.0,2.45000004768372,0.0,3.0,61.2617988586426,0.00223728991113603,7.0,6.0,6.0,30.0,17.0,0.0,0.0,0.0472999997437
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%29,1.80200004577637,1.0,2.45000004768372,0.0,2.0,75.1922988891602,2.14681100845337,16.0,12.0,12.0,32.0,21.0,0.0,0.0,1.46519994735718
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%2C1-2H3,1.02100002765656,2.0,3.22000002861023,2.0,3.0,97.1956024169922,0.735649287700653,6.0,0.0,0.0,54.0,29.0,4.0,0.0,-0.857699990272522
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%29,3.32699990272522,2.0,2.00999999046326,0.0,1.0,25.6646995544434,0.14508481323719,18.0,10.0,11.0,27.0,21.0,2.0,0.0,-0.380899995565414
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%2C7-10H2,3.39000010490417,3.0,2.33999991416931,0.0,0.0,34.0452003479004,0.202050253748894,18.0,10.0,11.0,39.0,27.0,3.0,0.0,0.449499994516373
InChI%3D1S%2FC2H5NO2%2Fc3-1-2%284%295%2Fh1%2C3H2%2C%28H%2C4%2C5%29,-3.34999990463257,1.0,1.35000002384186,2.0,2.0,16.0034008026123,1.41967225074768,3.0,0.0,0.0,10.0,4.0,5.0,0.0,-1.19149994850159
InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3,0.834999978542328,1.0,1.46000003814697,0.0,1.0,55.7243003845215,0.0070728100836277,8.0,5.0,5.0,18.0,10.0,2.0,0.0,0.0841000005602837
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,5.97900009155273,0.0,1.35000002384186,0.0,0.0,88.0130996704102,28.6899490356445,0.0,0.0,0.0,22.0,25.0,0.0,1.0,5.35629987716675
InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3,-0.275000005960464,1.0,1.35000002384186,0.0,0.0,20.050500869751,0.0082446401938796,3.0,0.0,0.0,11.0,4.0,5.0,0.0,0.0908000022172928
InChI%3D1S%2FC6H18N3OP%2Fc1-7%282%2911%2810%2C8%283%294%299%285%296%2Fh1-6H3,-0.560999989509583,3.0,1.57000005245209,0.0,0.0,48.6383018493652,1.2454559803009,5.0,0.0,0.0,29.0,10.0,11.0,0.0,-1.11600005626678
InChI%3D1S%2FC6H10N6O%2Fc1-12%282%2911-10-6-4%285%287%2913%298-3-9-6%2Fh3H%2C1-2H3%2C%28H2%2C7%2C13%29%28H%2C8%2C9%29,-1.98099994659424,3.0,1.35000002384186,0.0,3.0,43.4147987365723,3.74809598922729,3.0,0.0,0.0,27.0,13.0,5.0,0.0,-1.93599998950958
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%2C1-2H3,4.6230001449585,13.0,4.32000017166138,4.0,2.0,175.290298461914,2.656574010849,7.0,6.0,6.0,89.0,48.0,9.0,1.0,1.6298999786377
InChI%3D1S%2FC8Cl4N2%2Fc9-5-3%281-13%296%2810%298%2812%297%2811%294%285%292-14,2.40599989891052,0.0,1.67999994754791,0.0,0.0,59.7775993347168,6.53518104553223,10.0,6.0,6.0,14.0,14.0,2.0,0.0,2.55640006065369
InChI%3D1S%2FC6H14N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh5-6%2C9-10H%2C3-4H2%2C1-2H3,-0.773000001907349,5.0,1.57000005245209,3.0,2.0,41.8039016723633,1.01888835430145,3.0,0.0,0.0,25.0,10.0,11.0,0.0,-1.00940001010895
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%2C4-5H2,4.86499977111816,1.0,2.45000004768372,0.0,0.0,12.6166000366211,0.00611524004489183,9.0,6.0,6.0,26.0,17.0,3.0,0.0,0.0781999975442886
InChI%3D1S%2FC5H10ClN3O3%2Fc6-1-2-7-5%2811%299%288-12%293-4-10%2Fh10H%2C1-4H2%2C%28H%2C7%2C11%29,-0.291000008583069,6.0,1.24000000953674,2.0,2.0,43.9767990112305,0.184212639927864,6.0,0.0,0.0,22.0,11.0,12.0,0.0,0.429199993610382
InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29,0.920000016689301,2.0,1.46000003814697,2.0,2.0,19.8181991577148,0.675519585609436,4.0,0.0,0.0,13.0,5.0,6.0,0.0,0.821900010108948
InChI%3D1S%2FC4H8O%2Fc1-2-4-3-5-4%2Fh4H%2C2-3H2%2C1H3,0.628000020980835,1.0,1.78999996185303,2.0,0.0,18.5394992828369,0.184556156396866,0.0,0.0,0.0,13.0,5.0,2.0,0.0,-0.42960000038147
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%29,2.28600001335144,5.0,2.67000007629395,0.0,1.0,94.3161010742188,1.42134082317352,12.0,6.0,6.0,47.0,27.0,3.0,0.0,-1.19219994544983
InChI%3D1S%2FC6H6N2O2%2Fc9-7-5-1-2-6%288-10%294-3-5%2Fh1-4%2C7%2C9H,1.63699996471405,2.0,1.67999994754791,0.0,2.0,7.30749988555908,0.817215979099274,10.0,6.0,6.0,16.0,10.0,2.0,0.0,-0.903999984264374
InChI%3D1S%2FC4H6N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-2H%2C3-4H2,0.449000000953674,1.0,1.46000003814697,0.0,0.0,30.0191993713379,0.0497736111283302,4.0,0.0,0.0,14.0,8.0,2.0,0.0,0.223100006580353
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%2C1H3,1.20700001716614,4.0,1.12999999523163,2.0,0.0,42.2757987976074,1.06750226020813,7.0,0.0,0.0,18.0,10.0,11.0,0.0,1.03320002555847
InChI%3D1S%2FC7H7N3O2%2Fc1-10%289-12%297-4-2-6%288-11%293-5-7%2Fh2-5H%2C1H3,0.275000005960464,3.0,1.67999994754791,0.0,0.0,45.407901763916,0.225624993443489,11.0,6.0,6.0,19.0,12.0,4.0,0.0,0.474999994039536
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%2C1-6H2,0.744000017642975,3.0,2.23000001907349,0.0,0.0,66.2043991088867,0.864714026451111,11.0,0.0,0.0,30.0,20.0,0.0,0.0,-0.929899990558624
InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3,2.18600010871887,5.0,2.11999988555908,4.0,0.0,39.9681015014648,1.52695453166962,3.0,0.0,0.0,24.0,9.0,10.0,0.0,1.23570001125336
InChI%3D1S%2FC9H4F3N3O4S%2Fc10-9%2811%2C12%297%2816%2914-8-13-4%283-20-8%295-1-2-6%2819-5%2915%2817%2918%2Fh1-3H%2C%28H%2C13%2C14%2C16%29,2.45199990272522,4.0,1.24000000953674,2.0,1.0,27.209400177002,1.97796094417572,16.0,10.0,10.0,24.0,21.0,7.0,0.0,1.40639996528625
InChI%3D1S%2FC9H8Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-2%2C5-6H%2C3-4H2,2.26799988746643,2.0,1.67999994754791,0.0,0.0,68.1818008422852,10.4619903564453,5.0,0.0,0.0,24.0,17.0,5.0,0.0,3.23449993133545
InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3,-0.0759999975562096,0.0,1.57000005245209,2.0,1.0,12.555100440979,0.0115777598693967,0.0,0.0,0.0,9.0,2.0,3.0,0.0,-0.107600003480911
InChI%3D1S%2FC18H23NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C14-15%2C20%2C23H%2C2%2C5-10H2%2C1H3,0.137999996542931,1.0,2.67000007629395,2.0,2.0,88.9273986816406,0.0552720092236996,5.0,0.0,0.0,48.0,27.0,2.0,0.0,0.235100001096725
InChI%3D1S%2FC12H12N2%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C13-14H2,2.26799988746643,2.0,1.67999994754791,0.0,2.0,68.1818008422852,10.4619903564453,5.0,0.0,0.0,24.0,17.0,5.0,0.0,3.23449993133545
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,-2.71399998664856,9.0,2.11999988555908,0.0,10.0,217.592407226562,20.8885555267334,58.0,24.0,24.0,82.0,63.0,3.0,2.0,-4.57040023803711
InChI%3D1S%2FC19H17N3%2Fc20-16-7-1-13%282-8-16%2919%2814-3-9-17%2821%2910-4-14%2915-5-11-18%2822%2912-6-15%2Fh1-12%2C20H%2C21-22H2,1.83599996566772,2.0,3.22000002861023,0.0,3.0,101.539497375488,0.511797189712524,22.0,12.0,12.0,39.0,24.0,0.0,0.0,0.715399980545044
InChI%3D1S%2FC5H9NO%2Fc7-6-5-3-1-2-4-5%2Fh7H%2C1-4H2,0.593999981880188,0.0,1.78999996185303,0.0,1.0,23.8024997711182,0.530420899391174,3.0,0.0,0.0,16.0,7.0,2.0,0.0,-0.728299975395203
InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,2.62400007247925,2.0,2.45000004768372,0.0,2.0,10.0633001327515,2.73538517951965,15.0,12.0,12.0,27.0,16.0,0.0,0.0,-1.65390002727509
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%2C1H3,1.4539999961853,1.0,2.55999994277954,0.0,1.0,69.9392013549805,0.107190757989883,15.0,13.0,15.0,27.0,18.0,2.0,0.0,-0.327399998903275
InChI%3D1S%2FC12H10N2O%2Fc15-13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,1.51699995994568,3.0,2.45000004768372,0.0,0.0,69.2240982055664,3.23784041404724,15.0,12.0,12.0,25.0,16.0,3.0,0.0,1.79939997196198
InChI%3D1S%2FC10H10N2%2Fc11-9-5-1-3-7-8%289%294-2-6-10%287%2912%2Fh1-6H%2C11-12H2,0.129999995231628,0.0,2.33999991416931,0.0,2.0,56.2523994445801,0.198559358716011,12.0,10.0,11.0,22.0,13.0,0.0,0.0,-0.445600003004074
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3,0.680999994277954,1.0,1.67999994754791,4.0,1.0,24.7532005310059,0.0158508103340864,3.0,0.0,0.0,15.0,5.0,6.0,0.0,-0.125900000333786
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%2C1-4H3,2.06800007820129,4.0,3.0,0.0,0.0,92.0556030273438,2.86895847320557,16.0,12.0,12.0,40.0,21.0,3.0,0.0,1.69379997253418
InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3,0.333999991416931,0.0,1.57000005245209,2.0,0.0,11.7182998657227,0.033306248486042,1.0,0.0,0.0,7.0,2.0,3.0,0.0,-0.182500004768372
InChI%3D1S%2FC2H3Cl2F%2Fc1-2%283%2C4%295%2Fh1H3,2.33200001716614,0.0,1.35000002384186,2.0,0.0,21.3824996948242,3.35842275619507,0.0,0.0,0.0,8.0,4.0,5.0,0.0,1.83259999752045
InChI%3D1S%2FC8H18N2O2%2Fc1-2-3-6-10%289-12%297-4-5-8-11%2Fh11H%2C2-8H2%2C1H3,1.08200001716614,8.0,1.89999997615814,4.0,1.0,42.9034004211426,2.68959999084473,3.0,0.0,0.0,30.0,11.0,12.0,0.0,-1.63999998569489
InChI%3D1S%2FC12H19N3O%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29,1.24899995326996,6.0,2.33999991416931,0.0,3.0,68.1613006591797,0.0883872881531715,9.0,6.0,6.0,35.0,16.0,6.0,0.0,-0.297300010919571
InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3,1.56099998950958,1.0,2.23000001907349,0.0,0.0,44.5749015808105,1.37921535968781,7.0,6.0,6.0,20.0,9.0,3.0,0.0,1.17439997196198
InChI%3D1S%2FC12H8O4%2Fc1-14-12-10-8%284-5-15-10%296-7-2-3-9%2813%2916-11%287%2912%2Fh2-6H%2C1H3,0.837999999523163,1.0,2.33999991416931,0.0,0.0,60.3039016723633,0.0680166408419609,11.0,6.0,6.0,28.0,18.0,2.0,0.0,-0.260800004005432
InChI%3D1S%2FC4H7N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2H%2C1%2C3H2%2C%28H2%2C5%2C8%29,0.465999990701675,4.0,1.35000002384186,3.0,2.0,31.9939994812012,1.08597242832184,6.0,0.0,0.0,16.0,8.0,9.0,0.0,1.04209995269775
InChI%3D1S%2FC5H10N2O3%2Fc1-3-7%286-9%295%288%2910-4-2%2Fh3-4H2%2C1-2H3,0.732999980449677,5.0,1.46000003814697,2.0,0.0,34.9309005737305,1.03815722465515,6.0,0.0,0.0,20.0,9.0,10.0,0.0,1.01890003681183
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%29,3.02099990844727,4.0,1.67999994754791,3.0,1.0,33.0503005981445,0.0135256899520755,16.0,10.0,10.0,28.0,19.0,5.0,0.0,-0.116300001740456
InChI%3D1S%2FC20H18ClNO6%2Fc1-10-7-12-14%2821%299-13%2817%2823%2916%2812%2920%2827%2928-10%2918%2824%2922-15%2819%2825%2926%298-11-5-3-2-4-6-11%2Fh2-6%2C9-10%2C15%2C23H%2C7-8H2%2C1H3%2C%28H%2C22%2C24%29%28H%2C25%2C26%29,2.51600003242493,5.0,2.77999997138977,3.0,3.0,107.690498352051,1.92127323150635,13.0,12.0,12.0,46.0,30.0,8.0,0.0,1.38610005378723
InChI%3D1S%2FC4H10N2O3%2Fc1-6%285-9%292-4%288%293-7%2Fh4%2C7-8H%2C2-3H2%2C1H3,-1.65600001811981,4.0,1.35000002384186,3.0,2.0,32.3053016662598,0.920256495475769,3.0,0.0,0.0,19.0,8.0,9.0,0.0,-0.959299981594086
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%29,2.33800005912781,0.0,2.11999988555908,0.0,2.0,22.6289005279541,0.00522729009389877,14.0,10.0,11.0,27.0,18.0,0.0,0.0,0.0723000019788742
InChI%3D1S%2FC5H10Br2O2%2Fc6-1-5%282-7%2C3-8%294-9%2Fh8-9H%2C1-4H2,1.20200002193451,4.0,1.57000005245209,3.0,2.0,43.7966995239258,0.284728974103928,0.0,0.0,0.0,19.0,8.0,9.0,0.0,0.533599972724915
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,-0.167999997735023,0.0,1.89999997615814,0.0,2.0,38.0554008483887,0.980099976062775,8.0,6.0,6.0,16.0,8.0,0.0,0.0,-0.990000009536743
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%29,1.59899997711182,2.0,1.24000000953674,0.0,3.0,21.0323009490967,0.171976089477539,8.0,5.0,5.0,20.0,15.0,2.0,0.0,-0.414700001478195
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%29,1.52999997138977,3.0,1.46000003814697,0.0,1.0,32.2709999084473,0.260508149862289,14.0,5.0,5.0,24.0,17.0,2.0,0.0,-0.510399997234344
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%2C2-5H3,1.22800004482269,3.0,2.89000010490417,2.0,0.0,103.52619934082,0.515380382537842,7.0,0.0,0.0,56.0,30.0,4.0,0.0,0.717899978160858
InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2,0.319999992847443,0.0,1.67999994754791,3.0,0.0,16.2707004547119,0.403860241174698,4.0,0.0,0.0,7.0,3.0,4.0,0.0,0.635500013828278
InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,1.68900001049042,1.0,1.78999996185303,4.0,0.0,25.0105991363525,3.18158578872681,4.0,0.0,0.0,10.0,4.0,5.0,0.0,1.78369998931885
InChI%3D1S%2FC7H5N3O3S%2Fc8-7-9-4%283-14-7%295-1-2-6%2813-5%2910%2811%2912%2Fh1-3H%2C%28H2%2C8%2C9%29,1.60199999809265,2.0,1.46000003814697,0.0,2.0,29.1082000732422,0.154370412230492,8.0,5.0,5.0,21.0,15.0,2.0,0.0,0.392899990081787
InChI%3D1S%2FC7H9NO%2Fc1-9-7-5-3-2-4-6%287%298%2Fh2-5H%2C8H2%2C1H3,0.564000010490417,1.0,2.00999999046326,0.0,1.0,41.1491012573242,0.0852056071162224,8.0,6.0,6.0,18.0,9.0,2.0,0.0,-0.291900008916855
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,-3.11100006103516,9.0,1.12999999523163,0.0,6.0,66.2901000976562,20.6297645568848,9.0,6.0,6.0,39.0,21.0,5.0,2.0,-4.54199981689453
InChI%3D1S%2FC15H15N3O2%2Fc1-10-3-8-15%2820%2914%289-10%2918-17-13-6-4-12%285-7-13%2916-11%282%2919%2Fh3-9%2C17H%2C1-2H3%2C%28H%2C16%2C19%29,1.78699994087219,3.0,2.55999994277954,2.0,2.0,83.5300979614258,0.667325615882874,18.0,6.0,6.0,35.0,21.0,4.0,0.0,0.816900014877319
InChI%3D1S%2FC13H28N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-15%282%2914-16%2Fh3-13H2%2C1-2H3,5.6269998550415,12.0,2.55999994277954,12.0,0.0,54.0806999206543,8.00097751617432,3.0,0.0,0.0,44.0,15.0,16.0,2.0,-2.82859992980957
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,1.74000000953674,1.0,1.46000003814697,2.0,0.0,20.6555995941162,2.28553915023804,0.0,0.0,0.0,8.0,3.0,4.0,0.0,1.51180005073547
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%2C1-3H3,2.54999995231628,0.0,2.33999991416931,0.0,2.0,63.5586013793945,0.000823689973913133,13.0,0.0,0.0,32.0,19.0,2.0,0.0,-0.0286999996751547
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,0.976000010967255,0.0,2.45000004768372,0.0,3.0,72.5397033691406,0.0370562486350536,19.0,12.0,12.0,27.0,21.0,0.0,0.0,-0.192499995231628
InChI%3D1S%2FC11H10N4%2Fc1-15-9-5-4-8-7%283-2-6-13-8%2910%289%2914-11%2815%2912%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29,1.74300003051758,0.0,2.23000001907349,0.0,2.0,62.4096984863281,0.0298944097012281,14.0,10.0,11.0,25.0,17.0,0.0,0.0,-0.172900006175041
InChI%3D1S%2FC17H23N3O%2Fc1-19%282%2912-13-20%2817-6-4-5-11-18-17%2914-15-7-9-16%2821-3%2910-8-15%2Fh4-11H%2C12-14H2%2C1-3H3,1.04499995708466,7.0,2.89000010490417,2.0,2.0,93.3411026000977,0.0566440001130104,7.0,12.0,12.0,44.0,22.0,7.0,0.0,0.238000005483627
InChI%3D1S%2FC12H6Cl4%2Fc13-7-1-3-9%2811%2815%295-7%2910-4-2-8%2814%296-12%2810%2916%2Fh1-6H,3.69400000572205,1.0,2.33999991416931,0.0,0.0,78.3361968994141,15.1352119445801,12.0,12.0,12.0,22.0,17.0,0.0,0.0,3.89039993286133
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%2C1-2H3,0.5,1.0,2.67000007629395,2.0,2.0,88.6892013549805,0.0775065571069717,5.0,0.0,0.0,50.0,27.0,2.0,0.0,-0.278400003910065
InChI%3D1S%2FC5H8N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-2H%2C3-5H2,0.501999974250793,1.0,1.67999994754791,0.0,0.0,31.3117008209229,0.00795663986355066,3.0,0.0,0.0,16.0,8.0,2.0,0.0,0.089199997484684
InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920-3%2921-15-10-6-13%287-11-15%2912-4-8-14%2818%299-5-12%2Fh4-11H%2C1-3H3,2.96399998664856,5.0,2.89000010490417,3.0,0.0,90.8908004760742,7.77684783935547,13.0,12.0,12.0,38.0,22.0,8.0,0.0,2.78870010375977
InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29,-1.71599996089935,2.0,1.67999994754791,0.0,2.0,38.8917999267578,2.91487336158752,10.0,6.0,6.0,17.0,10.0,4.0,0.0,-1.70729994773865
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%2B1,2.83800005912781,12.0,4.53999996185303,2.0,2.0,216.395294189453,1.8561338186264,22.0,24.0,24.0,92.0,54.0,4.0,1.0,1.36240005493164
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,-1.13999998569489,1.0,2.55999994277954,2.0,2.0,86.7670974731445,0.766325175762177,5.0,0.0,0.0,51.0,28.0,2.0,0.0,-0.875400006771088
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,-1.82099997997284,5.0,2.00999999046326,0.0,4.0,133.229995727539,0.775104165077209,35.0,16.0,17.0,49.0,38.0,3.0,1.0,-0.880400002002716
InChI%3D1S%2FC8H8O%2Fc1-2-4-7%285-3-1%298-6-9-8%2Fh1-5%2C8H%2C6H2,1.00499999523163,1.0,2.23000001907349,0.0,0.0,39.464900970459,1.03002202510834,6.0,6.0,6.0,17.0,10.0,0.0,0.0,1.01489996910095
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%29,2.18400001525879,2.0,1.67999994754791,2.0,3.0,54.185001373291,0.434149205684662,7.0,0.0,0.0,30.0,14.0,4.0,0.0,0.658900022506714
InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2,-0.272000014781952,5.0,1.46000003814697,6.0,4.0,50.472599029541,0.0585639998316765,0.0,0.0,0.0,24.0,11.0,12.0,0.0,-0.241999998688698
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3,1.86199998855591,0.0,1.67999994754791,3.0,1.0,20.6812992095947,1.44432318210602,2.0,0.0,0.0,9.0,3.0,4.0,0.0,1.20179998874664
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%29,3.01500010490417,4.0,2.77999997138977,3.0,2.0,84.0824966430664,13.939022064209,6.0,12.0,12.0,32.0,21.0,7.0,0.0,3.7335000038147
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3,1.71300005912781,0.0,1.78999996185303,3.0,0.0,24.7329006195068,3.42509055137634,2.0,0.0,0.0,12.0,4.0,5.0,0.0,1.8507000207901
InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3,2.42499995231628,7.0,2.00999999046326,4.0,0.0,41.5252990722656,1.29960000514984,3.0,0.0,0.0,29.0,10.0,11.0,0.0,-1.13999998569489
InChI%3D1S%2FC4H10O3%2Fc5-1-3-7-4-2-6%2Fh5-6H%2C1-4H2,-1.39800000190735,4.0,1.57000005245209,2.0,2.0,25.5970993041992,1.05740094184875,0.0,0.0,0.0,17.0,6.0,7.0,0.0,-1.02830004692078
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,0.665000021457672,1.0,1.89999997615814,0.0,2.0,43.4962005615234,0.281642496585846,10.0,6.0,6.0,18.0,10.0,4.0,0.0,0.530700027942657
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%29,0.270999997854233,5.0,1.35000002384186,3.0,2.0,48.0792007446289,0.432963997125626,6.0,0.0,0.0,25.0,12.0,13.0,0.0,0.657999992370605
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%29,1.36000001430511,3.0,2.23000001907349,2.0,1.0,55.1216011047363,0.40538689494133,10.0,6.0,6.0,26.0,13.0,4.0,0.0,0.636699974536896
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%29,1.42700004577637,3.0,2.23000001907349,0.0,1.0,83.5009002685547,0.0935136377811432,13.0,6.0,6.0,39.0,22.0,2.0,0.0,0.30579999089241
InChI%3D1S%2FC11H23NO2%2Fc12-10-8-6-4-2-1-3-5-7-9-11%2813%2914%2Fh1-10%2C12H2%2C%28H%2C13%2C14%29,2.89299988746643,10.0,2.33999991416931,11.0,2.0,43.9956016540527,10.5449571609497,3.0,0.0,0.0,37.0,13.0,14.0,0.0,-3.24729990959167
InChI%3D1S%2FC14H15N3%2Fc1-17%282%2914-10-8-13%289-11-14%2916-15-12-6-4-3-5-7-12%2Fh3-11H%2C1-2H3,3.12299990653992,3.0,2.67000007629395,0.0,0.0,74.1860961914062,2.83652973175049,15.0,12.0,12.0,32.0,18.0,3.0,0.0,1.68420004844666
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%29,0.672999978065491,2.0,1.24000000953674,0.0,1.0,8.68859958648682,0.664388000965118,14.0,10.0,10.0,17.0,15.0,2.0,0.0,-0.815100014209747
InChI%3D1S%2FC6H8N2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C7-8H2,-0.167999997735023,0.0,1.89999997615814,0.0,2.0,38.0554008483887,0.980099976062775,8.0,6.0,6.0,16.0,8.0,0.0,0.0,-0.990000009536743
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%2C1-5H3,4.98299980163574,9.0,3.66000008583069,7.0,0.0,114.469596862793,3.83611392974854,6.0,12.0,12.0,57.0,27.0,14.0,0.0,1.95860004425049
InChI%3D1S%2FC5H11N3O2%2Fc1-4%282%293-8%287-10%295%286%299%2Fh4H%2C3H2%2C1-2H3%2C%28H2%2C6%2C9%29,0.929000020027161,4.0,1.46000003814697,3.0,2.0,36.1146011352539,0.823556244373322,6.0,0.0,0.0,21.0,9.0,10.0,0.0,0.907500028610229
InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H,1.057000041008,1.0,1.78999996185303,0.0,0.0,7.91300010681152,0.120062246918678,7.0,5.0,5.0,11.0,7.0,2.0,0.0,-0.346500009298325
InChI%3D1S%2FC13H18Cl2N2O2%2Fc14-5-7-17%288-6-15%2911-3-1-10%282-4-11%299-12%2816%2913%2818%2919%2Fh1-4%2C12H%2C5-9%2C16H2%2C%28H%2C18%2C19%29,-0.565999984741211,8.0,2.23000001907349,3.0,2.0,81.6709976196289,1.50013506412506,7.0,6.0,6.0,37.0,19.0,7.0,0.0,1.22479999065399
InChI%3D1S%2FC9H14O%2Fc1-7-4-8%2810%296-9%282%2C3%295-7%2Fh4H%2C5-6H2%2C1-3H3,0.122000001370907,0.0,1.46000003814697,0.0,0.0,26.6289005279541,0.123763240873814,3.0,0.0,0.0,12.0,6.0,0.0,0.0,0.351799994707108
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%29,2.15599989891052,4.0,2.33999991416931,0.0,3.0,113.709701538086,1.58030045032501,27.0,16.0,17.0,48.0,32.0,3.0,0.0,1.25709998607635
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%29,1.2849999666214,2.0,1.35000002384186,0.0,2.0,71.7750015258789,5.96531772613525,3.0,0.0,0.0,23.0,20.0,3.0,0.0,2.4423999786377
InChI%3D1S%2FC7H15N3O2%2Fc1-2-3-4-5-6-10%289-12%297%288%2911%2Fh2-6H2%2C1H3%2C%28H2%2C8%2C11%29,2.33899998664856,7.0,1.67999994754791,6.0,2.0,39.3918991088867,0.586909234523773,6.0,0.0,0.0,27.0,11.0,12.0,0.0,-0.766099989414215
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,-3.08800005912781,7.0,1.35000002384186,5.0,3.0,47.9440994262695,2.28040194511414,6.0,0.0,0.0,29.0,14.0,15.0,0.0,-1.51010000705719
InChI%3D1S%2FC12H14N2O%2Fc1-9-8-12%282%2C3%2914%2813-15%2911-7-5-4-6-10%289%2911%2Fh4-8H%2C1-3H3,1.06299996376038,1.0,2.45000004768372,0.0,0.0,36.029598236084,1.03103721141815,12.0,6.0,6.0,29.0,16.0,1.0,0.0,1.01540005207062
InChI%3D1S%2FC10H9N%2Fc11-10-6-5-8-3-1-2-4-9%288%297-10%2Fh1-7H%2C11H2,1.67700004577637,0.0,2.45000004768372,0.0,1.0,52.7025985717773,0.564151227474213,11.0,10.0,11.0,20.0,12.0,0.0,0.0,0.75110000371933
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,2.58500003814697,2.0,2.00999999046326,0.0,0.0,7.40290021896362,0.03515625,17.0,5.0,5.0,24.0,19.0,3.0,0.0,-0.1875
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%2C1-5H3,4.80000019073486,14.0,5.19999980926514,7.0,0.0,47.8146018981934,6.75272178649902,7.0,6.0,6.0,100.0,48.0,8.0,1.0,-2.59859991073608
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,-3.41100001335144,8.0,1.24000000953674,6.0,5.0,57.6123008728027,3.62902498245239,6.0,0.0,0.0,33.0,17.0,18.0,0.0,-1.90499997138977
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%2C1-2H3,3.28099989891052,13.0,3.0,4.0,0.0,93.1712036132812,1.62766563892365,8.0,6.0,6.0,54.0,25.0,12.0,1.0,-1.27579998970032
InChI%3D1S%2FC4H8N2O%2Fc7-5-6-3-1-2-4-6%2Fh1-4H2,0.46000000834465,1.0,1.57000005245209,0.0,0.0,23.9046993255615,0.444355547428131,3.0,0.0,0.0,15.0,7.0,2.0,0.0,-0.666599988937378
InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H2,0.564999997615814,1.0,1.46000003814697,0.0,0.0,25.5237998962402,0.673548519611359,4.0,0.0,0.0,16.0,8.0,2.0,0.0,-0.820699989795685
InChI%3D1S%2FC12H24N2O%2Fc15-13-14-11-9-7-5-3-1-2-4-6-8-10-12-14%2Fh1-12H2,4.59000015258789,1.0,2.45000004768372,0.0,0.0,47.1974983215332,8.82446479797363,3.0,0.0,0.0,39.0,15.0,2.0,0.0,-2.97059988975525
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,-0.587999999523163,5.0,1.89999997615814,3.0,5.0,80.2148971557617,1.76305282115936,6.0,6.0,6.0,42.0,24.0,4.0,0.0,-1.32780003547668
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%29,2.30399990081787,4.0,1.24000000953674,0.0,3.0,23.0333995819092,0.0957283601164818,14.0,5.0,5.0,20.0,14.0,6.0,0.0,-0.309399992227554
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%2C1-2H3,1.36800003051758,3.0,2.33999991416931,0.0,0.0,73.8518981933594,0.23444963991642,9.0,6.0,6.0,35.0,19.0,1.0,0.0,0.484200000762939
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%29,1.70799994468689,4.0,1.46000003814697,2.0,2.0,32.3064994812012,0.118404813110828,20.0,11.0,11.0,32.0,23.0,4.0,0.0,-0.344099998474121
InChI%3D1S%2FC12H10Cl2N2%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%2Fh1-6H%2C15-16H2,1.55599999427795,1.0,2.33999991416931,0.0,2.0,76.0034027099609,0.576992154121399,14.0,12.0,12.0,26.0,17.0,0.0,0.0,0.759599983692169
InChI%3D1S%2FC7H7NO2%2Fc1-6-2-4-7%285-3-6%298%289%2910%2Fh2-5H%2C1H3,3.21700000762939,1.0,1.89999997615814,0.0,0.0,8.38790035247803,0.354501157999039,9.0,6.0,6.0,17.0,10.0,2.0,0.0,0.595399975776672
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%2918,6.35799980163574,0.0,1.24000000953674,0.0,0.0,92.3588027954102,34.2224998474121,0.0,0.0,0.0,22.0,26.0,0.0,1.0,5.84999990463257
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%29,0.381000012159348,2.0,2.23000001907349,2.0,1.0,63.1978988647461,0.0762312114238739,9.0,6.0,6.0,31.0,18.0,2.0,0.0,0.276100009679794
InChI%3D1S%2FC7H6N4O3S%2Fc8-10-7-9-4%283-15-7%295-1-2-6%2814-5%2911%2812%2913%2Fh1-3H%2C8H2%2C%28H%2C9%2C10%29,0.989000022411346,3.0,1.35000002384186,0.0,2.0,20.8824996948242,0.391876012086868,15.0,10.0,10.0,21.0,16.0,2.0,0.0,-0.625999987125397
InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3,0.955999970436096,3.0,1.78999996185303,3.0,0.0,26.3542995452881,0.743733763694763,5.0,0.0,0.0,15.0,6.0,7.0,0.0,0.862399995326996
InChI%3D1S%2FC5H11Cl2N%2Fc1-8%284-2-6%295-3-7%2Fh2-5H2%2C1H3,1.59300005435944,4.0,1.67999994754791,2.0,0.0,38.6747016906738,2.72415018081665,0.0,0.0,0.0,19.0,7.0,8.0,0.0,1.65050005912781
InChI%3D1S%2FC4H10N2O3%2Fc7-3-1-6%285-9%292-4-8%2Fh7-8H%2C1-4H2,-1.692999958992,5.0,1.35000002384186,2.0,2.0,32.6351013183594,0.976144015789032,3.0,0.0,0.0,19.0,8.0,9.0,0.0,-0.987999975681305
InChI%3D1S%2FC34H59NO15%2Fc1-5-6-9-20%283%2932%2850-31%2844%2917-23%2834%2847%2948%2915-29%2841%2942%2927%2849-30%2843%2916-22%2833%2845%2946%2914-28%2839%2940%2913-19%282%2912-24%2836%2910-7-8-11-25%2837%2918-26%2838%2921%284%2935%2Fh19-27%2C32%2C36-38H%2C5-18%2C35H2%2C1-4H3%2C%28H%2C39%2C40%29%28H%2C41%2C42%29%28H%2C45%2C46%29%28H%2C47%2C48%29,1.73099994659424,31.0,3.44000005722046,20.0,8.0,161.808502197266,21.2023410797119,3.0,0.0,0.0,109.0,49.0,50.0,3.0,-4.60459995269775
InChI%3D1S%2FC6H12N2O3%2Fc1-2-3-8%287-11%294-6%2810%295-9%2Fh2%2C6%2C9-10H%2C1%2C3-5H2,-1.04100000858307,6.0,1.57000005245209,3.0,2.0,41.4679985046387,0.117306247353554,3.0,0.0,0.0,23.0,10.0,11.0,0.0,-0.342500001192093
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%2C1-3H3,3.77500009536743,2.0,3.44000005722046,2.0,0.0,91.5783004760742,0.3070268034935,3.0,0.0,0.0,54.0,27.0,4.0,0.0,0.554099977016449
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,4.15999984741211,0.0,2.11999988555908,0.0,0.0,25.7005996704102,7.12356090545654,14.0,12.0,12.0,22.0,20.0,0.0,0.0,2.66899991035461
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%2C17H2,3.49000000953674,0.0,2.45000004768372,0.0,1.0,32.1123008728027,0.250100016593933,17.0,12.0,12.0,26.0,21.0,0.0,0.0,0.500100016593933
InChI%3D1S%2FC4H4N2OS%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,-0.27700001001358,0.0,1.46000003814697,0.0,1.0,32.684398651123,0.143413692712784,7.0,6.0,6.0,12.0,8.0,0.0,0.0,-0.378699988126755
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,-1.57200002670288,6.0,1.24000000953674,2.0,5.0,65.4400024414062,1.15498006343842,6.0,0.0,0.0,36.0,20.0,9.0,0.0,-1.07469999790192
InChI%3D1S%2FC6H8O%2Fc1-2-3-4-5-6-7%2Fh2-6H%2C1H3,1.5110000371933,2.0,2.00999999046326,6.0,0.0,32.5885009765625,1.15777599811554,6.0,0.0,0.0,15.0,6.0,7.0,0.0,1.07599997520447
InChI%3D1S%2FC3H5N3O%2Fc1-2-6%283-4%295-7%2Fh2H2%2C1H3,-0.0560000017285347,2.0,1.35000002384186,2.0,0.0,25.3031997680664,0.13972644507885,5.0,0.0,0.0,12.0,6.0,7.0,0.0,0.373800009489059
InChI%3D1S%2FC3H8N2O%2Fc1-3-5%282%294-6%2Fh3H2%2C1-2H3,0.148000001907349,2.0,1.46000003814697,2.0,0.0,24.3442993164062,0.116417437791824,3.0,0.0,0.0,14.0,5.0,6.0,0.0,0.341199994087219
InChI%3D1S%2FC13H14Cl2O3%2Fc1-12%282%2C11%2816%2917%2918-9-5-3-8%284-6-9%2910-7-13%2810%2C14%2915%2Fh3-6%2C10H%2C7H2%2C1-2H3%2C%28H%2C16%2C17%29,2.25799989700317,4.0,2.33999991416931,3.0,3.0,73.4293975830078,3.99240350723267,7.0,6.0,6.0,32.0,19.0,7.0,0.0,1.99810004234314
InChI%3D1S%2FC12H9NO%2Fc13-8-5-6-10-9-3-1-2-4-11%289%2914-12%2810%297-8%2Fh1-7H%2C13H2,1.21399998664856,0.0,2.55999994277954,0.0,1.0,63.2957000732422,0.0293094404041767,14.0,13.0,15.0,23.0,16.0,0.0,0.0,0.171200007200241
InChI%3D1S%2FC2H6N2O2%2Fc1-3%282%294%285%296%2Fh1-2H3,0.0769999995827675,1.0,1.24000000953674,0.0,0.0,16.7791996002197,0.12482088804245,4.0,0.0,0.0,12.0,5.0,6.0,0.0,-0.353300005197525
InChI%3D1S%2FC15H23ClO4S%2Fc1-12%2820-21%2817%2919-10-9-16%2911-18-14-7-5-13%286-8-14%2915%282%2C3%294%2Fh5-8%2C12H%2C9-11H2%2C1-4H3,2.3840000629425,9.0,2.45000004768372,3.0,0.0,90.7237014770508,6.18367671966553,7.0,6.0,6.0,44.0,21.0,11.0,0.0,2.4867000579834
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%2C1-3H3,0.945999979972839,6.0,3.0,2.0,0.0,89.5445022583008,1.20231223106384,6.0,12.0,12.0,42.0,21.0,8.0,0.0,1.09650003910065
InChI%3D1S%2FC6H11N3O3%2Fc1-3-9%288-12%296%2811%297-4-5%282%2910%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C11%29,-0.623000025749207,5.0,1.46000003814697,3.0,1.0,42.4575004577637,0.0483999997377396,6.0,0.0,0.0,23.0,11.0,12.0,0.0,0.219999998807907
InChI%3D1S%2FC11H11N3O3%2Fc12-10%2815%296-9-11%2816%2917-13-14%289%297-8-4-2-1-3-5-8%2Fh1-5H%2C6-7H2%2C%28H2-%2C12%2C13%2C15%2C16%29%2Fp%2B1,0.681999981403351,4.0,2.00999999046326,2.0,4.0,64.4306030273438,0.0541958399116993,6.0,6.0,6.0,32.0,18.0,4.0,0.0,0.232800006866455
InChI%3D1S%2FC2Cl2%2Fc3-1-2-4,1.98599994182587,0.0,1.46000003814697,2.0,0.0,20.1837997436523,0.94322943687439,2.0,0.0,0.0,4.0,3.0,4.0,0.0,0.971199989318848
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%2B1,2.68099999427795,11.0,4.42999982833862,2.0,2.0,202.962997436523,3.29640340805054,21.0,24.0,24.0,84.0,51.0,4.0,1.0,1.81560003757477
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,-1.82099997997284,5.0,2.00999999046326,0.0,4.0,133.305099487305,0.59861171245575,35.0,16.0,17.0,49.0,38.0,3.0,1.0,-0.773699998855591
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-4-10-14%2812%2911%286-3-9%295-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,0.834999978542328,5.0,1.46000003814697,2.0,1.0,55.7243003845215,0.0070728100836277,5.0,0.0,0.0,29.0,14.0,4.0,0.0,0.0841000005602837
InChI%3D1S%2FC10H10O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh2%2C4-6H%2C1%2C3%2C7H2,2.47099995613098,2.0,2.33999991416931,3.0,0.0,50.7649993896484,1.08201599121094,8.0,6.0,6.0,22.0,13.0,3.0,0.0,1.04019999504089
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,-0.857999980449677,5.0,1.57000005245209,2.0,1.0,29.1236000061035,0.0130188101902604,14.0,5.0,5.0,31.0,20.0,3.0,0.0,-0.114100001752377
InChI%3D1S%2FC7H9N%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C8H2%2C1H3,0.716000020503998,0.0,2.11999988555908,0.0,1.0,38.7876014709473,0.426539599895477,7.0,6.0,6.0,17.0,8.0,0.0,0.0,0.65310001373291
InChI%3D1S%2FC4H8N2O2%2Fc7-4-1-2-6%283-4%295-8%2Fh4%2C7H%2C1-3H2,-0.569999992847443,1.0,1.46000003814697,0.0,1.0,26.9556007385254,0.790854513645172,3.0,0.0,0.0,16.0,8.0,2.0,0.0,-0.889299988746643
InChI%3D1S%2FC6H14N2O4%2Fc1-5%2810%292-8%287-12%293-6%2811%294-9%2Fh5-6%2C9-11H%2C2-4H2%2C1H3,-1.90499997138977,6.0,1.46000003814697,3.0,3.0,43.181999206543,2.2782883644104,3.0,0.0,0.0,26.0,11.0,12.0,0.0,-1.50940001010895
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%29,2.59800004959106,1.0,2.89000010490417,2.0,1.0,74.8607025146484,3.8498363494873,15.0,12.0,12.0,30.0,19.0,4.0,0.0,1.9621000289917
InChI%3D1S%2FC19H20O4%2Fc1-2-3-13-22-18%2820%2916-11-7-8-12-17%2816%2919%2821%2923-14-15-9-5-4-6-10-15%2Fh4-12H%2C2-3%2C13-14H2%2C1H3,1.92400002479553,0.0,2.33999991416931,0.0,0.0,66.6917037963867,0.0748022496700287,14.0,10.0,11.0,28.0,18.0,0.0,0.0,0.273499995470047
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,2.93799996376038,1.0,2.33999991416931,2.0,0.0,40.0862007141113,2.2943160533905,6.0,6.0,6.0,18.0,8.0,2.0,0.0,1.51470005512238
InChI%3D1S%2FC7H7NO%2Fc1-6-4-2-3-5-7%286%298-9%2Fh2-5H%2C1H3,1.07299995422363,1.0,2.00999999046326,0.0,0.0,36.0083999633789,1.90357208251953,8.0,6.0,6.0,16.0,9.0,1.0,0.0,1.37969994544983
InChI%3D1S%2FC4H6%2Fc1-3-4-2%2Fh3-4H%2C1-2H2,1.9559999704361,1.0,1.89999997615814,4.0,0.0,20.2943992614746,2.00222492218018,4.0,0.0,0.0,10.0,3.0,4.0,0.0,1.41499996185303
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%2C2-3H3,3.98399996757507,2.0,3.54999995231628,2.0,0.0,93.5656967163086,1.76757025718689,4.0,0.0,0.0,53.0,28.0,4.0,0.0,1.32949995994568
InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2,1.82599997520447,2.0,2.45000004768372,0.0,1.0,70.4521026611328,0.86694723367691,14.0,12.0,12.0,25.0,16.0,0.0,0.0,0.931100010871887
InChI%3D1S%2FC2HCl2F3%2Fc3-1%284%292%285%2C6%297%2Fh1H,2.81800007820129,1.0,1.12999999523163,2.0,0.0,21.816499710083,5.27942514419556,0.0,0.0,0.0,8.0,6.0,7.0,0.0,2.29769992828369
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%29,2.99499988555908,3.0,2.55999994277954,2.0,1.0,74.8359985351562,6.23550844192505,15.0,12.0,12.0,30.0,22.0,7.0,0.0,2.49710011482239
InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3,3.58299994468689,10.0,2.67000007629395,4.0,0.0,95.7761993408203,0.135497614741325,14.0,12.0,12.0,47.0,28.0,10.0,0.0,0.368099987506866
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%2C1-3H3,0.847000002861023,2.0,2.23000001907349,3.0,1.0,51.972900390625,0.0433888882398605,8.0,6.0,6.0,23.0,14.0,4.0,0.0,0.208299994468689
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%2C7H2,0.523000001907349,2.0,2.11999988555908,0.0,0.0,51.6682014465332,2.23084092140198,6.0,6.0,6.0,27.0,15.0,2.0,0.0,-1.49360001087189
InChI%3D1S%2FC6H6N2O3%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2Fh1-3%2C9H%2C7H2,1.11899995803833,1.0,1.57000005245209,0.0,2.0,9.67249965667725,1.57954621315002,11.0,6.0,6.0,17.0,11.0,2.0,0.0,-1.25680005550385
InChI%3D1S%2FC18H14N4O5S%2Fc23-16-9-6-13%2811-15%2816%2918%2824%2925%2921-20-12-4-7-14%288-5-12%2928%2826%2C27%2922-17-3-1-2-10-19-17%2Fh1-11%2C20H%2C%28H%2C19%2C22%29%28H%2C24%2C25%29,0.386000007390976,6.0,2.33999991416931,0.0,3.0,108.446899414062,1.55975115299225,28.0,12.0,12.0,42.0,30.0,4.0,0.0,-1.24890005588531
InChI%3D1S%2FC8H11N3%2Fc1-11%282%2910-9-8-6-4-3-5-7-8%2Fh3-7H%2C1-2H3,0.5,2.0,2.00999999046326,0.0,0.0,48.8911018371582,1.14639854431152,9.0,6.0,6.0,22.0,11.0,5.0,0.0,1.07070004940033
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,0.0280000008642673,1.0,2.33999991416931,0.0,5.0,26.5088005065918,8.56674385070801,11.0,12.0,12.0,34.0,24.0,0.0,0.0,-2.92689990997314
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%2920,3.7260000705719,0.0,1.35000002384186,0.0,0.0,83.1997985839844,20.239200592041,2.0,0.0,0.0,21.0,25.0,0.0,0.0,4.4987998008728
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%2C1H3,6.9210000038147,3.0,2.67000007629395,0.0,1.0,33.880500793457,0.0277888905256987,22.0,12.0,12.0,36.0,25.0,2.0,0.0,0.166700005531311
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%29,2.58999991416931,6.0,2.77999997138977,5.0,1.0,73.7997970581055,4.6470422744751,7.0,6.0,6.0,40.0,18.0,10.0,0.0,2.15569996833801
InChI%3D1S%2FC14H9NO2%2Fc15-8-5-6-11-12%287-8%2914%2817%2910-4-2-1-3-9%2810%2913%2811%2916%2Fh1-7H%2C15H2,0.298000007867813,0.0,2.67000007629395,0.0,1.0,71.2730026245117,0.0900600105524063,17.0,12.0,12.0,26.0,19.0,0.0,0.0,0.30009999871254
InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3,3.25799989700317,0.0,2.45000004768372,0.0,0.0,43.8017997741699,7.52185487747192,6.0,6.0,6.0,21.0,9.0,0.0,0.0,2.74259996414185
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%29,0.168999999761581,6.0,1.35000002384186,3.0,2.0,48.5611991882324,0.175142243504524,6.0,0.0,0.0,25.0,12.0,13.0,0.0,0.418500006198883
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,-0.216000005602837,3.0,2.00999999046326,2.0,5.0,77.581901550293,0.00204304000362754,17.0,10.0,11.0,32.0,20.0,5.0,0.0,0.0452000014483929
InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3,1.73599994182587,0.0,1.57000005245209,2.0,0.0,18.589599609375,1.54132223129272,0.0,0.0,0.0,8.0,2.0,3.0,0.0,1.24150002002716
InChI%3D1S%2FC11H14N2O4%2Fc1-8%282%2916-9-6-4-5-7-10%289%2917-11%2814%2913%283%2912-15%2Fh4-8H%2C1-3H3,1.69500005245209,6.0,2.00999999046326,3.0,0.0,67.0721969604492,0.678481698036194,13.0,6.0,6.0,31.0,17.0,7.0,0.0,0.82370001077652
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,0.757000029087067,0.0,1.78999996185303,0.0,0.0,18.8031997680664,0.233965694904327,3.0,0.0,0.0,11.0,5.0,0.0,0.0,-0.483700007200241
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%29,1.74300003051758,2.0,2.23000001907349,2.0,1.0,66.0325012207031,6.59513759613037,12.0,6.0,6.0,31.0,21.0,2.0,0.0,-2.56809997558594
InChI%3D1S%2FC11H11N5%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29,1.38499999046326,2.0,2.11999988555908,0.0,3.0,57.1469993591309,0.306251555681229,8.0,6.0,6.0,31.0,17.0,2.0,0.0,-0.553399980068207
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,0.122000001370907,0.0,1.46000003814697,0.0,1.0,26.6289005279541,0.123763240873814,3.0,0.0,0.0,12.0,6.0,0.0,0.0,0.351799994707108
InChI%3D1S%2FC4H9N3O3%2Fc5-4%289%297%286-10%292-1-3-8%2Fh8H%2C1-3H2%2C%28H2%2C5%2C9%29,-0.5,5.0,1.24000000953674,3.0,3.0,32.0351982116699,0.161684408783913,6.0,0.0,0.0,19.0,9.0,10.0,0.0,-0.402099996805191
InChI%3D1S%2FC5H3Cl5%2Fc1-2%284%287%298%293%286%295%289%2910%2Fh1H3,4.05600023269653,1.0,1.46000003814697,4.0,0.0,50.2621994018555,13.7767171859741,4.0,0.0,0.0,13.0,9.0,10.0,0.0,3.71169996261597
InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2,1.54799997806549,1.0,1.57000005245209,0.0,2.0,9.67249965667725,1.57954621315002,11.0,6.0,6.0,17.0,11.0,2.0,0.0,-1.25680005550385
InChI%3D1S%2FC2H3N3O%2Fc1-5%282-3%294-6%2Fh1H3,-0.479000002145767,1.0,1.24000000953674,0.0,0.0,21.0093994140625,0.015227559953928,5.0,0.0,0.0,9.0,5.0,6.0,0.0,0.123400002717972
InChI%3D1S%2FC4H10N2S%2Fc1-5-4%287%296%282%293%2Fh1-3H3%2C%28H%2C5%2C7%29,1.06099998950958,1.0,1.57000005245209,0.0,0.0,34.2011985778809,0.273947566747665,3.0,0.0,0.0,17.0,6.0,7.0,0.0,0.523400008678436
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%29,2.60400009155273,4.0,2.11999988555908,2.0,3.0,37.657600402832,0.778100430965424,10.0,6.0,6.0,37.0,24.0,4.0,0.0,-0.882099986076355
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3,3.35999989509583,12.0,2.23000001907349,4.0,0.0,60.3110008239746,2.68304395675659,5.0,0.0,0.0,44.0,16.0,17.0,1.0,-1.63800001144409
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%2C1H3,3.28399991989136,7.0,2.11999988555908,4.0,0.0,39.4682006835938,3.48568892478943,2.0,0.0,0.0,30.0,9.0,10.0,0.0,-1.86699998378754
InChI%3D1S%2FC2H2ClF3%2Fc3-1-2%284%2C5%296%2Fh1H2,2.40000009536743,1.0,1.24000000953674,2.0,0.0,16.7623996734619,3.43731594085693,0.0,0.0,0.0,8.0,5.0,6.0,0.0,1.85399997234344
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,2.89400005340576,1.0,1.78999996185303,0.0,0.0,2.88579988479614,0.00217155995778739,9.0,6.0,6.0,14.0,9.0,3.0,0.0,-0.0465999990701675
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%2C1-3H3,0.814999997615814,4.0,2.33999991416931,3.0,4.0,66.4218978881836,0.0382984913885593,8.0,6.0,6.0,35.0,16.0,8.0,0.0,0.195700004696846
InChI%3D1S%2FC3H3N3O2S%2Fc4-3-5-1-2%289-3%296%287%298%2Fh1H%2C%28H2%2C4%2C5%29,0.790000021457672,1.0,1.12999999523163,0.0,2.0,27.300199508667,0.0304502490907907,3.0,0.0,0.0,14.0,9.0,2.0,0.0,0.174500003457069
InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2,-0.446000009775162,1.0,1.46000003814697,0.0,0.0,29.125,0.0490622483193874,3.0,0.0,0.0,16.0,8.0,2.0,0.0,-0.221499994397163
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,1.067999958992,0.0,2.23000001907349,0.0,0.0,39.8465003967285,0.764050781726837,7.0,6.0,6.0,17.0,10.0,0.0,0.0,0.874100029468536
InChI%3D1S%2FC6H14N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-6H2%2C1-2H3,1.28699994087219,5.0,1.78999996185303,3.0,0.0,35.7020988464355,0.31809601187706,3.0,0.0,0.0,23.0,8.0,9.0,0.0,-0.564000010490417
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%2C1-4H3,2.9760000705719,4.0,3.10999989509583,0.0,0.0,91.3106002807617,5.82643032073975,7.0,12.0,12.0,41.0,20.0,3.0,0.0,2.41380000114441
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%2C6H2,0.300999999046326,2.0,1.89999997615814,0.0,0.0,47.7510986328125,2.7862286567688,6.0,0.0,0.0,26.0,15.0,2.0,0.0,-1.66919994354248
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%29,1.51699995994568,3.0,1.46000003814697,0.0,1.0,22.1271991729736,0.0573123581707478,16.0,10.0,10.0,21.0,17.0,3.0,0.0,0.239399999380112
InChI%3D1S%2FC2H5ClO%2Fc1-4-2-3%2Fh2H2%2C1H3,0.426999986171722,1.0,1.46000003814697,0.0,0.0,17.6518993377686,0.237558767199516,0.0,0.0,0.0,9.0,3.0,4.0,0.0,0.487399995326996
InChI%3D1S%2FC6H10N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh3-4H2%2C1-2H3,-0.981000006198883,5.0,1.57000005245209,3.0,0.0,39.3218994140625,1.05103504657745,3.0,0.0,0.0,21.0,10.0,11.0,0.0,-1.02520000934601
InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29,0.570999979972839,1.0,1.24000000953674,2.0,1.0,22.619499206543,0.931611061096191,3.0,0.0,0.0,8.0,5.0,6.0,0.0,0.965200006961823
InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3,2.64800000190735,2.0,2.33999991416931,3.0,0.0,49.5388984680176,0.0265038404613733,8.0,6.0,6.0,24.0,13.0,3.0,0.0,-0.162799999117851
InChI%3D1S%2FC7H10N2O%2Fc1-10-7-3-2-5%288%294-6%287%299%2Fh2-4H%2C8-9H2%2C1H3,0.0719999969005585,1.0,1.89999997615814,0.0,2.0,44.6988983154297,2.21592998504639,9.0,6.0,6.0,20.0,10.0,2.0,0.0,-1.48860001564026
InChI%3D1S%2FC13H12Cl2N2%2Fc14-10-6-8%281-3-12%2810%2916%295-9-2-4-13%2817%2911%2815%297-9%2Fh1-4%2C6-7H%2C5%2C16-17H2,1.65600001811981,2.0,2.45000004768372,0.0,2.0,80.6044006347656,1.47816967964172,7.0,12.0,12.0,29.0,18.0,0.0,0.0,1.21580004692078
InChI%3D1S%2FC5H11N3O2%2Fc1-2-3-4-8%287-10%295%286%299%2Fh2-4H2%2C1H3%2C%28H2%2C6%2C9%29,1.20099997520447,5.0,1.46000003814697,4.0,2.0,33.5686988830566,0.0361380092799664,6.0,0.0,0.0,21.0,9.0,10.0,0.0,-0.190099999308586
InChI%3D1S%2FC8H11NO%2Fc1-6-5-7%2810-2%293-4-8%286%299%2Fh3-5H%2C9H2%2C1-2H3,-0.848999977111816,3.0,1.57000005245209,3.0,1.0,27.6005001068115,2.32349038124084,4.0,0.0,0.0,17.0,6.0,7.0,0.0,-1.5242999792099
InChI%3D1S%2FC12H15ClO3%2Fc1-4-15-11%2814%2912%282%2C3%2916-10-7-5-9%2813%296-8-10%2Fh5-8H%2C4H2%2C1-3H3,2.39499998092651,5.0,2.33999991416931,3.0,0.0,66.6689987182617,4.10832357406616,7.0,6.0,6.0,31.0,16.0,9.0,0.0,2.02690005302429
InChI%3D1S%2FC10H22N2O%2Fc1-3-5-7-9-12%2811-13%2910-8-6-4-2%2Fh3-10H2%2C1-2H3,3.56299996376038,9.0,2.23000001907349,5.0,0.0,47.3484992980957,2.94465589523315,3.0,0.0,0.0,35.0,12.0,13.0,0.0,-1.71599996089935
InChI%3D1S%2FC6H7ClN2%2Fc7-5-2-1-4%288%293-6%285%299%2Fh1-3H%2C8-9H2,0.409000009298325,0.0,1.78999996185303,0.0,2.0,42.771598815918,0.386013686656952,8.0,6.0,6.0,16.0,9.0,0.0,0.0,-0.621299982070923
InChI%3D1S%2FC7H8O2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4%2C8-9H%2C1H3,1.47500002384186,0.0,2.00999999046326,0.0,2.0,38.4487991333008,0.523596942424774,8.0,6.0,6.0,17.0,9.0,0.0,0.0,0.723599970340729
InChI%3D1S%2FC2H6O3P%2Fc1-4-6%283%295-2%2Fh1-2H3%2Fq%2B1,-0.741999983787537,2.0,1.24000000953674,0.0,0.0,15.5367002487183,0.060565210878849,4.0,0.0,0.0,12.0,5.0,6.0,0.0,0.24609999358654
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%29,2.82200002670288,1.0,2.45000004768372,0.0,2.0,70.9686965942383,1.22965919971466,16.0,12.0,12.0,29.0,19.0,0.0,0.0,1.10889995098114
InChI%3D1S%2FC5H10N2O2%2Fc1-2-3-7%286-9%294-5-8%2Fh2%2C8H%2C1%2C3-5H2,-0.368999987840652,5.0,1.57000005245209,3.0,1.0,35.505500793457,0.0282912403345108,3.0,0.0,0.0,19.0,8.0,9.0,0.0,0.168200001120567
InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3,0.270000010728836,0.0,1.67999994754791,0.0,0.0,15.6279001235962,0.0200505591928959,0.0,0.0,0.0,10.0,4.0,0.0,0.0,-0.141599997878075
InChI%3D1S%2FC6H12N2O4%2Fc1-4%289%292-7-3-5%2810%296%2811%298-12%2Fh5-7%2C10-11H%2C2-3H2%2C1H3,-2.04999995231628,6.0,1.46000003814697,3.0,3.0,36.5236015319824,5.20615482330322,1.0,0.0,0.0,24.0,11.0,12.0,0.0,-2.28169989585876
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%29,0.550999999046326,2.0,1.57000005245209,2.0,1.0,27.4659996032715,0.391500502824783,5.0,0.0,0.0,15.0,6.0,7.0,0.0,-0.625699996948242
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,-0.90200001001358,0.0,1.46000003814697,0.0,2.0,26.2705993652344,1.01203596591949,8.0,6.0,6.0,12.0,8.0,0.0,0.0,-1.00600004196167
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%2C1H3,1.88900005817413,7.0,2.77999997138977,0.0,1.0,156.334106445312,0.0553660914301872,40.0,26.0,28.0,62.0,46.0,3.0,1.0,-0.235300004482269
InChI%3D1S%2FC3H6N6%2Fc4-1-7-2%285%299-3%286%298-1%2Fh%28H6%2C4%2C5%2C6%2C7%2C8%2C9%29,1.6710000038147,0.0,1.12999999523163,0.0,6.0,26.099100112915,0.0157251600176096,9.0,0.0,0.0,15.0,9.0,0.0,1.0,0.125400006771088
InChI%3D1S%2FC13H13N3%2Fc1-7-12-11%288%282%2915-13%287%2914%299-5-3-4-6-10%289%2916-12%2Fh3-6%2C16H%2C1-2H3%2C%28H2%2C14%2C15%29,1.24699997901917,0.0,2.55999994277954,0.0,3.0,65.9133987426758,0.0387302413582802,7.0,6.0,6.0,33.0,18.0,0.0,0.0,-0.196799993515015
InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2,1.94000005722046,2.0,1.67999994754791,4.0,0.0,30.9741992950439,3.91881608963013,2.0,0.0,0.0,12.0,5.0,6.0,0.0,1.97959995269775
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,4.84800004959106,1.0,2.11999988555908,0.0,0.0,87.7686004638672,21.4165325164795,12.0,12.0,12.0,22.0,19.0,0.0,0.0,4.62779998779297
InChI%3D1S%2FC12H10N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H,2.79999995231628,2.0,2.55999994277954,0.0,0.0,60.5670013427734,3.66033434867859,14.0,12.0,12.0,24.0,15.0,2.0,0.0,1.9132000207901
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%2C1H3,3.43700003623962,8.0,3.10999989509583,3.0,0.0,98.2973022460938,7.92478799819946,7.0,12.0,12.0,43.0,22.0,9.0,0.0,2.8150999546051
InChI%3D1S%2FC5H8O2%2Fc1-5%282%293-7-4%285%296%2Fh3H2%2C1-2H3,0.354999989271164,0.0,1.78999996185303,0.0,0.0,24.6285991668701,0.696724116802216,3.0,0.0,0.0,15.0,7.0,0.0,0.0,0.834699988365173
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,2.08200001716614,0.0,2.11999988555908,0.0,0.0,30.9557991027832,1.96953153610229,6.0,6.0,6.0,12.0,6.0,0.0,0.0,1.40339994430542
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,1.54900002479553,0.0,1.57000005245209,2.0,0.0,14.7774000167847,1.00400400161743,2.0,0.0,0.0,6.0,2.0,3.0,0.0,1.00199997425079
InChI%3D1S%2FC2H3Br%2Fc1-2-3%2Fh2H%2C1H2,1.72500002384186,0.0,1.57000005245209,2.0,0.0,17.5953998565674,1.17939603328705,2.0,0.0,0.0,6.0,2.0,3.0,0.0,1.08599996566772
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,1.97000002861023,0.0,1.89999997615814,0.0,0.0,40.3881988525391,4.58302450180054,6.0,6.0,6.0,12.0,8.0,0.0,0.0,2.14079999923706
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,4.27799987792969,0.0,1.46000003814697,0.0,0.0,59.2529983520508,13.0725631713867,6.0,6.0,6.0,12.0,12.0,0.0,0.0,3.61560010910034
InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,0.32600000500679,0.0,1.46000003814697,2.0,2.0,13.9007997512817,0.00514088990166783,3.0,0.0,0.0,9.0,3.0,4.0,0.0,-0.0716999992728233
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%2C1-4H3,3.75,1.0,3.22000002861023,0.0,0.0,46.9622001647949,0.500839293003082,19.0,12.0,12.0,43.0,27.0,2.0,0.0,0.70770001411438
InChI%3D1S%2FC5H12N2O3%2Fc1-5%289%294-7%286-10%292-3-8%2Fh5%2C8-9H%2C2-4H2%2C1H3,-1.23300004005432,5.0,1.46000003814697,3.0,2.0,37.2195014953613,0.997401714324951,3.0,0.0,0.0,22.0,9.0,10.0,0.0,-0.998700022697449
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%2C1-6H3,6.89799976348877,7.0,3.66000008583069,9.0,0.0,105.91429901123,17.3388957977295,10.0,0.0,0.0,56.0,24.0,15.0,1.0,4.16400003433228
InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296,2.63299989700317,5.0,2.77999997138977,3.0,0.0,100.894401550293,6.43586158752441,6.0,12.0,12.0,38.0,23.0,8.0,0.0,2.53690004348755
InChI%3D1S%2FC8H8N2O2%2Fc1-10%289-12%298%2811%297-5-3-2-4-6-7%2Fh2-6H%2C1H3,0.777999997138977,3.0,1.89999997615814,0.0,0.0,49.0309982299805,1.15089988708496,11.0,6.0,6.0,20.0,12.0,6.0,0.0,1.07280004024506
InChI%3D1S%2FC5H3Cl3O3%2Fc6-2-1%283%287%298%294%289%2911-5%282%2910%2Fh3-4%2C9H,0.917999982833862,1.0,1.35000002384186,0.0,1.0,41.2304000854492,2.0200936794281,5.0,0.0,0.0,14.0,11.0,2.0,0.0,1.4213000535965
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%2C1-2H3,4.05200004577637,4.0,3.22000002861023,6.0,2.0,91.2618026733398,3.9196081161499,16.0,12.0,12.0,40.0,21.0,6.0,0.0,1.97979998588562
InChI%3D1S%2FC10H9N3O3%2Fc1-6-5-7%282%2912-10%2811-6%298-3-4-9%2816-8%2913%2814%2915%2Fh3-5H%2C1-2H3,2.51799988746643,2.0,1.89999997615814,0.0,0.0,15.9699001312256,0.46009087562561,14.0,11.0,11.0,25.0,17.0,2.0,0.0,0.678300023078918
InChI%3D1S%2FC14H16N2%2Fc1-9-7-11%283-5-13%289%2915%2912-4-6-14%2816%2910%282%298-12%2Fh3-8H%2C15-16H2%2C1-2H3,1.18599998950958,1.0,2.77999997138977,0.0,2.0,75.1350021362305,0.837225019931793,14.0,12.0,12.0,32.0,17.0,0.0,0.0,0.915000021457672
InChI%3D1S%2FC3H7N3O2%2Fc1-2-6%285-8%293%284%297%2Fh2H2%2C1H3%2C%28H2%2C4%2C7%29,0.273999989032745,3.0,1.24000000953674,2.0,2.0,27.1250991821289,0.456570476293564,6.0,0.0,0.0,15.0,7.0,8.0,0.0,0.675700008869171
InChI%3D1S%2FC5H12N2S%2Fc1-3-6-5%288%297-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C6%2C7%2C8%29,1.17799997329712,3.0,1.67999994754791,2.0,1.0,37.1855010986328,1.06915605068207,3.0,0.0,0.0,20.0,7.0,8.0,0.0,1.03400003910065
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,2.93700003623962,1.0,2.33999991416931,2.0,0.0,39.8829002380371,3.66837406158447,8.0,6.0,6.0,16.0,8.0,2.0,0.0,1.91530001163483
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%2C8-9H2,1.02499997615814,5.0,1.78999996185303,0.0,0.0,57.0368995666504,0.19412836432457,14.0,5.0,5.0,39.0,25.0,2.0,0.0,-0.440600007772446
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,-0.542999982833862,6.0,2.00999999046326,4.0,0.0,58.0390014648438,0.987837195396423,8.0,6.0,6.0,28.0,15.0,9.0,0.0,-0.993900001049042
InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3,2.74499988555908,6.0,1.89999997615814,3.0,0.0,62.7835998535156,10.0267219543457,3.0,0.0,0.0,26.0,11.0,12.0,0.0,3.16650009155273
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%2C1-6H3,0.513999998569489,10.0,2.89000010490417,5.0,2.0,106.569602966309,0.19412836432457,5.0,0.0,0.0,62.0,30.0,14.0,0.0,0.440600007772446
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%29,2.51999998092651,4.0,1.35000002384186,0.0,2.0,25.4272003173828,0.0327610000967979,17.0,10.0,10.0,23.0,18.0,4.0,0.0,-0.180999994277954
InChI%3D1S%2FC6H14NO4P%2Fc1-9-12%288%2C10-2%297-3-5-11-6-4-7%2Fh3-6H2%2C1-2H3,-1.04700005054474,3.0,1.46000003814697,0.0,0.0,44.0197982788086,0.297570258378983,5.0,0.0,0.0,26.0,12.0,6.0,0.0,-0.545499980449677
InChI%3D1S%2FC4H10N2O2%2Fc1-6%285-8%293-2-4-7%2Fh7H%2C2-4H2%2C1H3,-0.625999987125397,4.0,1.46000003814697,3.0,1.0,29.2544002532959,0.542579531669617,3.0,0.0,0.0,18.0,7.0,8.0,0.0,-0.736599981784821
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,-0.702000021934509,3.0,2.33999991416931,0.0,2.0,86.4630966186523,3.73803567886353,9.0,12.0,12.0,35.0,22.0,2.0,0.0,-1.93340003490448
InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2,0.847000002861023,2.0,2.23000001907349,3.0,1.0,51.972900390625,0.0433888882398605,8.0,6.0,6.0,23.0,14.0,4.0,0.0,0.208299994468689
InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,0.731000006198883,2.0,2.45000004768372,0.0,2.0,75.4600982666016,0.0121881598606706,7.0,12.0,12.0,27.0,16.0,0.0,0.0,0.110399998724461
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%29,4.16200017929077,4.0,3.32999992370605,3.0,1.0,96.1939010620117,3.5062563419342,7.0,12.0,12.0,45.0,25.0,7.0,0.0,1.87249994277954
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%2C1-3H3,2.48300004005432,5.0,3.66000008583069,4.0,2.0,114.62629699707,2.86320233345032,6.0,0.0,0.0,68.0,36.0,4.0,0.0,-1.69210004806519
InChI%3D1S%2FC9H12N2O2%2Fc1-2-13-8-5-3-7%284-6-8%2911-9%2810%2912%2Fh3-6H%2C2H2%2C1H3%2C%28H3%2C10%2C11%2C12%29,1.57599997520447,4.0,2.00999999046326,2.0,3.0,52.198299407959,0.401829212903976,11.0,6.0,6.0,25.0,13.0,4.0,0.0,0.633899986743927
InChI%3D1S%2FC7H9NO2S%2Fc1-6-4-2-3-5-7%286%2911%288%2C9%2910%2Fh2-5H%2C1H3%2C%28H2%2C8%2C9%2C10%29,-0.377999991178513,1.0,1.78999996185303,0.0,1.0,45.7070999145508,0.217622250318527,10.0,6.0,6.0,20.0,11.0,3.0,0.0,0.466500014066696
InChI%3D1S%2FC9H8O4%2Fc10-7-3-1-6%285-8%287%2911%292-4-9%2812%2913%2Fh1-5%2C10-11H%2C%28H%2C12%2C13%29,0.888000011444092,2.0,2.00999999046326,3.0,3.0,50.4095001220703,0.0411684103310108,13.0,6.0,6.0,21.0,13.0,5.0,0.0,0.202900007367134
InChI%3D1S%2FC3H6O3S%2Fc4-7%285%293-1-2-6-7%2Fh1-3H2,-0.78600001335144,0.0,1.35000002384186,0.0,0.0,22.3278007507324,0.432437747716904,4.0,0.0,0.0,13.0,7.0,0.0,0.0,-0.657599985599518
InChI%3D1S%2FCHBr3%2Fc2-1%283%294%2Fh1H,3.08800005912781,0.0,1.24000000953674,0.0,0.0,29.7896995544434,4.96665811538696,0.0,0.0,0.0,5.0,3.0,3.0,0.0,2.228600025177
InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3,3.00600004196167,1.0,1.89999997615814,0.0,0.0,8.38790035247803,0.354501157999039,9.0,6.0,6.0,17.0,10.0,2.0,0.0,0.595399975776672
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,-0.0410000011324883,0.0,1.89999997615814,0.0,0.0,27.3862991333008,0.079185962677002,6.0,6.0,6.0,11.0,6.0,0.0,0.0,-0.281399995088577
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,2.37899994850159,2.0,1.46000003814697,3.0,0.0,29.6690998077393,4.8651123046875,0.0,0.0,0.0,11.0,5.0,6.0,0.0,2.2056999206543
InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2,2.41599988937378,1.0,1.46000003814697,2.0,0.0,26.6226005554199,3.24288058280945,0.0,0.0,0.0,8.0,3.0,4.0,0.0,1.80079996585846
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%29,0.00999999977648258,3.0,1.46000003814697,0.0,2.0,50.8755989074707,0.424321949481964,3.0,0.0,0.0,29.0,14.0,4.0,0.0,-0.651400029659271
InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H,1.54799997806549,3.0,2.45000004768372,0.0,1.0,64.6376037597656,1.04591524600983,15.0,12.0,12.0,25.0,16.0,2.0,0.0,1.02269995212555
InChI%3D1S%2FC11H12N2O%2Fc1-9-8-11%2814%2913%2812%289%292%2910-6-4-3-5-7-10%2Fh3-8H%2C1-2H3,0.361000001430511,1.0,2.33999991416931,0.0,0.0,60.1655006408691,0.223728999495506,10.0,6.0,6.0,28.0,15.0,0.0,0.0,0.47299998998642
InChI%3D1S%2FC4H9N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C8%29,0.632000029087067,4.0,1.35000002384186,3.0,2.0,30.6571006774902,0.00958441011607647,6.0,0.0,0.0,18.0,8.0,9.0,0.0,0.097900003194809
InChI%3D1S%2FC4H9N5O3%2Fc1-2-3-8%287-10%294%285%296-9%2811%2912%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C6%29,1.25399994850159,6.0,1.01999998092651,3.0,2.0,33.7650985717773,0.118129692971706,9.0,0.0,0.0,21.0,11.0,12.0,0.0,-0.343699991703033
InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,0.955999970436096,1.0,2.11999988555908,0.0,1.0,45.4310989379883,0.023870250210166,8.0,6.0,6.0,21.0,10.0,2.0,0.0,0.154499992728233
InChI%3D1S%2FC7H10N2OS%2Fc1-2-3-5-4-6%2810%299-7%2811%298-5%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C8%2C9%2C10%2C11%29,0.88400000333786,2.0,1.78999996185303,3.0,1.0,45.2159996032715,0.132860243320465,7.0,6.0,6.0,21.0,11.0,3.0,0.0,0.364499986171722
InChI%3D1S%2FC9H10O2%2Fc1-2-4-8%285-3-1%2910-6-9-7-11-9%2Fh1-5%2C9H%2C6-7H2,0.903999984264374,3.0,2.23000001907349,0.0,0.0,46.3440017700195,0.385889440774918,7.0,6.0,6.0,21.0,12.0,2.0,0.0,0.621200025081635
InChI%3D1S%2FC8H10O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-7%2C9H%2C1H3,1.11899995803833,1.0,2.23000001907349,2.0,1.0,41.5969009399414,0.560102581977844,6.0,6.0,6.0,19.0,9.0,3.0,0.0,0.748399972915649
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,2.65599989891052,2.0,2.89000010490417,0.0,1.0,84.2917022705078,2.37190794944763,19.0,12.0,12.0,31.0,21.0,2.0,0.0,1.54009997844696
InChI%3D1S%2FC16H19ClN4O2S%2Fc1-10-4-3-5-12%2811%2810%292%2919-14-8-13%2817%2920-16%2821-14%2924-9-15%2823%2918-6-7-22%2Fh3-5%2C8%2C22H%2C6-7%2C9H2%2C1-2H3%2C%28H%2C18%2C23%29%28H%2C19%2C20%2C21%29,0.679000020027161,6.0,2.33999991416931,2.0,4.0,100.696998596191,4.0699028968811,9.0,6.0,6.0,47.0,25.0,8.0,0.0,2.01740002632141
InChI%3D1S%2FC3H9O3P%2Fc1-5-7%283%2C4%296-2%2Fh1-3H3,-0.214000001549721,2.0,1.35000002384186,0.0,0.0,26.142599105835,0.0145443603396416,4.0,0.0,0.0,16.0,6.0,7.0,0.0,-0.120600000023842
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%29,1.74699997901917,2.0,1.24000000953674,0.0,5.0,27.5818004608154,0.246214434504509,8.0,5.0,5.0,24.0,17.0,2.0,0.0,-0.496199995279312
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,2.41199994087219,0.0,1.24000000953674,0.0,0.0,24.172700881958,3.31604099273682,0.0,0.0,0.0,5.0,3.0,3.0,0.0,1.82099997997284
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%2C1H3,0.456000000238419,1.0,2.67000007629395,0.0,0.0,80.4264984130859,1.34281742572784,11.0,6.0,6.0,37.0,27.0,2.0,0.0,-1.15880000591278
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,-0.252000004053116,4.0,2.11999988555908,0.0,4.0,81.9337005615234,1.79077923297882,10.0,0.0,0.0,42.0,27.0,5.0,0.0,-1.33819997310638
InChI%3D1S%2FC11H24N2O%2Fc1-3-4-5-6-7-8-9-10-11-13%282%2912-14%2Fh3-11H2%2C1-2H3,4.48899984359741,10.0,2.33999991416931,10.0,0.0,48.2574996948242,5.07420682907104,3.0,0.0,0.0,38.0,13.0,14.0,0.0,-2.2525999546051
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,2.07399988174438,0.0,1.24000000953674,0.0,0.0,21.364200592041,2.6153359413147,0.0,0.0,0.0,5.0,3.0,3.0,0.0,1.6172000169754
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,3.94099998474121,1.0,1.57000005245209,0.0,3.0,61.1803016662598,7.5531530380249,7.0,6.0,6.0,16.0,13.0,2.0,0.0,2.74830007553101
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,-2.9300000667572,11.0,2.33999991416931,0.0,8.0,227.668395996094,19.7260341644287,58.0,24.0,24.0,88.0,65.0,3.0,3.0,-4.44140005111694
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,3.83400011062622,0.0,1.46000003814697,0.0,0.0,54.0810012817383,17.3339004516602,0.0,0.0,0.0,18.0,12.0,0.0,0.0,4.16340017318726
InChI%3D1S%2FC4H8N2OS%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2,0.714999973773956,1.0,1.46000003814697,0.0,0.0,35.2994003295898,0.273738235235214,3.0,0.0,0.0,16.0,8.0,2.0,0.0,0.52319997549057
InChI%3D1S%2FC37H30N4O10S3%2Fc1-22-4-13-30%2814-5-22%2954%2849%2C50%2951-29-11-9-28%2810-12-29%2938-39-32-15-6-25%2818-23%2832%292%2926-7-16-33%2824%283%2919-26%2940-41-37-34%2842%2917-8-27-20-31%2852%2843%2C44%2945%2921-35%2836%2827%2937%2953%2846%2C47%2948%2Fh4-21%2C40H%2C1-3H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29,1.63100004196167,10.0,3.66000008583069,0.0,3.0,215.361694335938,6.46023893356323,51.0,30.0,30.0,84.0,59.0,4.0,1.0,2.54169988632202
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,3.02600002288818,0.0,1.24000000953674,2.0,0.0,30.9454002380371,5.89906930923462,2.0,0.0,0.0,6.0,5.0,6.0,0.0,2.42880010604858
InChI%3D1S%2FC4H10N2O%2Fc1-3-6%284-2%295-7%2Fh3-4H2%2C1-2H3,0.570999979972839,3.0,1.57000005245209,2.0,0.0,28.6380996704102,0.349990546703339,3.0,0.0,0.0,17.0,6.0,7.0,0.0,0.591600000858307
InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3,1.24000000953674,2.0,1.89999997615814,2.0,0.0,38.7957992553711,0.00504099996760488,3.0,0.0,0.0,26.0,12.0,4.0,0.0,-0.0710000023245811
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-7%282%298%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,1.10800004005432,0.0,2.23000001907349,0.0,1.0,43.0695991516113,1.20890021324158,7.0,6.0,6.0,20.0,9.0,0.0,0.0,1.09949994087219
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%2922,9.27099990844727,2.0,1.57000005245209,0.0,0.0,137.528106689453,39.5150527954102,13.0,12.0,12.0,23.0,24.0,0.0,1.0,6.28609991073608
InChI%3D1S%2FC5H11N3O3%2Fc1-2-6-5%2810%298%287-11%293-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29,-0.633000016212463,5.0,1.35000002384186,2.0,2.0,38.9272994995117,0.000207360004424118,6.0,0.0,0.0,22.0,10.0,11.0,0.0,0.0143999997526407
InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2,0.833999991416931,2.0,1.35000002384186,0.0,0.0,22.2912998199463,0.854330480098724,0.0,0.0,0.0,9.0,4.0,5.0,0.0,0.924300014972687
InChI%3D1S%2FC5H12N2O4%2Fc8-2-1-7%286-11%293-5%2810%294-9%2Fh5%2C8-10H%2C1-4H2,-2.36500000953674,6.0,1.35000002384186,3.0,3.0,38.597599029541,2.24610161781311,3.0,0.0,0.0,23.0,10.0,11.0,0.0,-1.49870002269745
InChI%3D1S%2FC6H10N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-4H%2C1-2%2C5-6H2,0.954999983310699,5.0,1.78999996185303,3.0,0.0,38.3759002685547,1.75403535366058,3.0,0.0,0.0,19.0,8.0,9.0,0.0,1.32439994812012
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%29,1.22800004482269,4.0,2.11999988555908,4.0,1.0,66.7221984863281,1.03917634487152,14.0,6.0,6.0,25.0,16.0,8.0,0.0,1.0194000005722
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,2.09899997711182,1.0,1.57000005245209,3.0,0.0,25.2765998840332,2.30493116378784,2.0,0.0,0.0,9.0,4.0,5.0,0.0,1.51820003986359
InChI%3D1S%2FC3H8N2O2%2Fc1-5%284-7%292-3-6%2Fh6H%2C2-3H2%2C1H3,-0.984000027179718,3.0,1.35000002384186,2.0,1.0,26.3428001403809,0.201241955161095,3.0,0.0,0.0,15.0,6.0,7.0,0.0,-0.448599994182587
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,1.20700001716614,4.0,1.12999999523163,2.0,0.0,42.2757987976074,1.06750226020813,7.0,0.0,0.0,18.0,10.0,11.0,0.0,1.03320002555847
InChI%3D1S%2FC5H10N2O3%2Fc8-4-3-6-2-1-5%289%297-10%2Fh6%2C8H%2C1-4H2,-1.74500000476837,6.0,1.46000003814697,3.0,2.0,33.4347991943359,2.15854859352112,4.0,0.0,0.0,20.0,9.0,10.0,0.0,-1.46920001506805
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,1.51900005340576,0.0,1.35000002384186,0.0,0.0,16.4382991790771,1.15111446380615,0.0,0.0,0.0,5.0,2.0,3.0,0.0,1.07290005683899
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%29,0.754000008106232,3.0,2.00999999046326,0.0,1.0,56.3357009887695,0.81396484375,10.0,6.0,6.0,24.0,13.0,6.0,0.0,0.902199983596802
InChI%3D1S%2FC4H5N3O3%2Fc8-3-1-2-7%286-10%294%289%295-3%2Fh1-2H2%2C%28H%2C5%2C8%2C9%29,-0.819000005722046,1.0,1.24000000953674,0.0,1.0,31.1375007629395,0.160240083932877,8.0,0.0,0.0,15.0,10.0,2.0,0.0,-0.400299996137619
InChI%3D1S%2FC4H10N2O2%2Fc1-4%287%293-6%282%295-8%2Fh4%2C7H%2C3H2%2C1-2H3,2.28099989891052,5.0,2.77999997138977,3.0,1.0,95.2583999633789,5.61168718338013,6.0,12.0,12.0,38.0,23.0,8.0,0.0,2.36890006065369
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%2C1-2H3,5.04400014877319,5.0,2.55999994277954,0.0,0.0,86.2967987060547,0.554727017879486,20.0,12.0,12.0,34.0,23.0,3.0,1.0,-0.744799971580505
InChI%3D1S%2FC8H12F6N2O%2Fc9-7%2810%2C11%293-1-5-16%2815-17%296-2-4-8%2812%2C13%2914%2Fh1-6H2,4.00699996948242,9.0,1.35000002384186,4.0,0.0,42.5970993041992,0.909352958202362,3.0,0.0,0.0,29.0,16.0,17.0,0.0,0.953599989414215
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%2C1H3,5.66400003433228,5.0,3.10999989509583,4.0,0.0,34.6782989501953,2.83383560180664,18.0,12.0,12.0,43.0,25.0,4.0,1.0,-1.68340003490448
InChI%3D1S%2FC4H9NO2%2Fc1-3-4%282%295%286%297%2Fh4H%2C3H2%2C1-2H3,1.08500003814697,2.0,1.57000005245209,4.0,0.0,20.899299621582,0.155630245804787,2.0,0.0,0.0,16.0,6.0,7.0,0.0,-0.394499987363815
InChI%3D1S%2FC7H15N3O%2Fc1-6-4-10%288-11%295-7%282%299%286%293%2Fh6-7H%2C4-5H2%2C1-3H3,0.517000019550323,1.0,1.78999996185303,0.0,0.0,45.269401550293,0.000712890003342181,3.0,0.0,0.0,26.0,11.0,1.0,0.0,0.0266999993473291
InChI%3D1S%2FC8H12N4O5%2Fc9-7-10-2-12%288%2816%2911-7%296-5%2815%294%2814%293%281-13%2917-6%2Fh2-6%2C13-15H%2C1H2%2C%28H2%2C9%2C11%2C16%29,-1.72200000286102,2.0,1.35000002384186,0.0,7.0,51.6804008483887,3.01057195663452,4.0,0.0,0.0,33.0,18.0,1.0,1.0,-1.73510003089905
InChI%3D1S%2FC10H14N2O2%2Fc1-8%2812%282%2911-14%2910%2813%299-6-4-3-5-7-9%2Fh3-8%2C10%2C13H%2C1-2H3,0.671000003814697,4.0,2.11999988555908,3.0,1.0,59.3485984802246,0.471282243728638,6.0,6.0,6.0,28.0,14.0,8.0,0.0,0.686500012874603
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%29,2.62199997901917,4.0,1.89999997615814,3.0,2.0,23.6989002227783,0.0269616395235062,18.0,10.0,10.0,26.0,19.0,5.0,0.0,-0.164199993014336
InChI%3D1S%2FC6H10N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3H%2C1%2C4-5H2%2C2H3,-0.0130000002682209,5.0,1.67999994754791,3.0,0.0,38.8488998413086,0.0223801601678133,3.0,0.0,0.0,20.0,9.0,10.0,0.0,0.149599999189377
InChI%3D1S%2FC4H6O2%2Fc1-3-2-4%285%296-3%2Fh3H%2C2H2%2C1H3,0.321000009775162,0.0,1.67999994754791,0.0,0.0,20.1375007629395,0.00306916004046798,3.0,0.0,0.0,12.0,6.0,0.0,0.0,-0.0553999990224838
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%29,1.76800000667572,4.0,1.57000005245209,0.0,1.0,29.889799118042,0.0350812897086143,15.0,10.0,10.0,27.0,18.0,4.0,0.0,0.187299996614456
InChI%3D1S%2FC20H14O4%2Fc21-15-9-5-13%286-10-15%2920%2814-7-11-16%2822%2912-8-14%2918-4-2-1-3-17%2818%2919%2823%2924-20%2Fh1-12%2C21-22H,1.61300003528595,2.0,3.22000002861023,0.0,2.0,99.7927017211914,3.70793533325195,9.0,18.0,18.0,38.0,27.0,0.0,0.0,1.92560005187988
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%29,6.52899980545044,7.0,2.11999988555908,0.0,3.0,23.2910003662109,2.17710018157959,30.0,18.0,18.0,44.0,32.0,3.0,0.0,-1.47549998760223
InChI%3D1S%2FC4H5NS%2Fc1-2-3-5-4-6%2Fh2H%2C1%2C3H2,1.72099995613098,2.0,1.67999994754791,3.0,0.0,30.1049995422363,0.576384663581848,3.0,0.0,0.0,11.0,5.0,6.0,0.0,0.759199976921082
InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2,-0.189999997615814,0.0,1.57000005245209,0.0,0.0,11.0434999465942,0.0171348098665476,0.0,0.0,0.0,7.0,3.0,0.0,0.0,-0.130899995565414
InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2,1.60500001907349,9.0,1.24000000953674,2.0,0.0,56.1287002563477,4.85673427581787,5.0,0.0,0.0,26.0,13.0,14.0,0.0,2.20379996299744
InChI%3D1S%2FC6H8N4O3S%2Fc1-2-7-5%2811%299-6-8-3-4%2814-6%2910%2812%2913%2Fh3H%2C2H2%2C1H3%2C%28H2%2C7%2C8%2C9%2C11%29,1.09899997711182,4.0,1.24000000953674,2.0,3.0,31.4605007171631,0.357603996992111,12.0,0.0,0.0,23.0,14.0,6.0,0.0,0.59799998998642
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%2C5-8H2,0.569999992847443,6.0,2.33999991416931,0.0,0.0,61.7322006225586,0.0259210001677275,8.0,6.0,6.0,30.0,18.0,2.0,0.0,-0.160999998450279
InChI%3D1S%2FC7H8N2O3%2Fc1-12-7-3-2-5%289%2810%2911%294-6%287%298%2Fh2-4H%2C8H2%2C1H3,2.96399998664856,2.0,1.67999994754791,0.0,1.0,90.8908004760742,7.77684783935547,11.0,6.0,6.0,20.0,12.0,2.0,0.0,2.78870010375977
InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2,0.535000026226044,0.0,2.00999999046326,0.0,1.0,34.5055999755859,0.0427248887717724,7.0,6.0,6.0,14.0,7.0,0.0,0.0,0.206699997186661
InChI%3D1S%2FC7H6N2O4%2Fc1-5-6%288%2810%2911%293-2-4-7%285%299%2812%2913%2Fh2-4H%2C1H3,2.68199992179871,2.0,1.57000005245209,0.0,0.0,11.273699760437,0.301181435585022,12.0,6.0,6.0,19.0,13.0,2.0,0.0,0.548799991607666