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

SMILES,nAromBond,nB,nAtom,nRotB,MLogP,XLogP,LipinskiFailures,nAtomLC,nHBDon,ALogP,nAtomLAC,AMR,ALogp2,LipinksiFailures,nAtomP,naAromAtom
InChI%3D1S%2FC10H9NO6%2Fc1-16-9%2812%296-3-4-7%2810%2813%2917-2%298%285-6%2911%2814%2915%2Fh3-5H%2C1-2H3,6.0,17.0,26.0,5.0,1.78999996185303,1.79900002479553,0.0,4.0,0.0,-0.0241999998688698,0.0,26.8626003265381,0.000585640023928136,,15.0,6.0
InChI%3D1S%2FC12H17NO%2Fc1-4-13%285-2%2912%2814%2911-8-6-7-10%283%299-11%2Fh6-9H%2C4-5H2%2C1-3H3,6.0,14.0,31.0,4.0,2.55999994277954,3.76699995994568,0.0,7.0,0.0,0.712599992752075,2.0,32.9245986938477,0.507798731327057,,9.0,6.0
InChI%3D1S%2FC5H4ClNO%2Fc6-4-1-2-5%288%297-3-4%2Fh1-3H%2C%28H%2C7%2C8%29,6.0,8.0,12.0,0.0,1.67999994754791,1.03299999237061,0.0,0.0,1.0,0.284000009298325,0.0,8.18019962310791,0.080655999481678,,7.0,6.0
InChI%3D1S%2FC8H8Cl2%2Fc9-5-7-1-2-8%286-10%294-3-7%2Fh1-4H%2C5-6H2,6.0,10.0,18.0,2.0,2.11999988555908,3.7039999961853,0.0,2.0,0.0,1.51180005073547,0.0,20.6555995941162,2.28553915023804,,6.0,6.0
InChI%3D1S%2FC9H11N%2Fc1-2-8-10-9-6-4-3-5-7-9%2Fh2-7%2C10H%2C1%2C8H2,6.0,10.0,21.0,3.0,2.33999991416931,2.98200011253357,0.0,4.0,1.0,0.298700004816055,3.0,18.1594009399414,0.0892216935753822,,7.0,6.0
InChI%3D1S%2FC7H8O%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5%2C8H%2C1H3,6.0,8.0,16.0,0.0,2.11999988555908,2.36700010299683,0.0,0.0,1.0,0.181700006127357,0.0,8.06669998168945,0.033014889806509,,7.0,6.0
InChI%3D1S%2FC10H22O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-10H2%2C1H3,0.0,10.0,33.0,8.0,2.45000004768372,4.2649998664856,0.0,11.0,1.0,-2.7014000415802,10.0,36.4682998657227,7.29756212234497,,0.0,0.0
InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2,6.0,11.0,17.0,1.0,1.57000005245209,1.54799997806549,0.0,2.0,2.0,-1.25680005550385,0.0,9.67249965667725,1.57954621315002,,11.0,6.0
InChI%3D1S%2FC8H9NO%2Fc1-6%2810%297-3-2-4-8%289%295-7%2Fh2-5H%2C9H2%2C1H3,6.0,10.0,19.0,1.0,2.11999988555908,1.26800000667572,0.0,2.0,0.0,-1.00380003452301,0.0,14.9925003051758,1.00761449337006,,9.0,6.0
InChI%3D1S%2FC10H19O6PS2%2Fc1-5-15-9%2811%297-8%2810%2812%2916-6-2%2919-17%2818%2C13-3%2914-4%2Fh8H%2C5-7H2%2C1-4H3,0.0,18.0,38.0,11.0,1.57000005245209,2.00699996948242,1.0,19.0,0.0,1.96410000324249,4.0,77.2726974487305,3.85768890380859,,4.0,0.0
InChI%3D1S%2FC3HBr3N2%2Fc4-1-2%285%298-3%286%297-1%2Fh%28H%2C7%2C8%29,5.0,8.0,8.0,0.0,1.24000000953674,2.49499988555908,0.0,0.0,2.0,1.99380004405975,0.0,26.6382007598877,3.97523832321167,,0.0,0.0
InChI%3D1S%2FC12H24O%2Fc1-3-4-5-6-7-8-9-10-11-12%282%2913%2Fh3-11H2%2C1-2H3,0.0,12.0,37.0,9.0,2.67000007629395,4.98999977111816,0.0,13.0,0.0,-2.47180008888245,12.0,44.511100769043,6.10979509353638,,1.0,0.0
InChI%3D1S%2F2C9H13N.H2O4S%2Fc2%2A1-8%2810%297-9-5-3-2-4-6-9%3B1-5%282%2C3%294%2Fh2%2A2-6%2C8H%2C7%2C10H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29,12.0,24.0,53.0,4.0,2.67000007629395,5.40000009536743,1.0,5.0,4.0,-2.03099989891052,3.0,49.9654006958008,4.12496089935303,,6.0,12.0
InChI%3D1S%2FC4H10O%2Fc1-2-3-4-5%2Fh5H%2C2-4H2%2C1H3,0.0,4.0,15.0,2.0,1.78999996185303,0.851000010967255,0.0,5.0,1.0,-0.973399996757507,4.0,18.9986991882324,0.947507560253143,,0.0,0.0
InChI%3D1S%2FC20H34O%2Fc1-7-19%285%2C21%2914-11-16-15%282%299-10-17-18%283%2C4%2912-8-13-20%2816%2C17%296%2Fh7%2C16-17%2C21H%2C1-2%2C8-14H2%2C3-6H3%2Ft16-%2C17%3F%2C19%2B%2C20%2B%2Fm0%2Fs1,0.0,22.0,55.0,4.0,3.54999995231628,7.24399995803833,1.0,7.0,1.0,2.50430011749268,5.0,89.8442993164062,6.27151870727539,,2.0,0.0
InChI%3D1S%2FC8H16O2%2Fc1-3-4-5-6-7-10-8%282%299%2Fh3-7H2%2C1-2H3,0.0,9.0,26.0,6.0,2.11999988555908,2.72900009155273,0.0,10.0,0.0,-1.17030000686646,6.0,33.9734001159668,1.36960208415985,,3.0,0.0
InChI%3D1S%2FC4H8O%2Fc1-2-3-4-5%2Fh4H%2C2-3H2%2C1H3,0.0,4.0,13.0,2.0,1.78999996185303,1.15600001811981,0.0,5.0,0.0,-0.394300013780594,4.0,19.6534004211426,0.155472487211227,,1.0,0.0
InChI%3D1S%2FC8H5F3O%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-5H,6.0,12.0,17.0,2.0,1.89999997615814,3.7720000743866,0.0,3.0,0.0,0.905700027942657,0.0,12.7285003662109,0.820292472839355,,8.0,6.0
InChI%3D1S%2FC12H8F2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H,12.0,16.0,23.0,2.0,2.45000004768372,4.60200023651123,0.0,0.0,0.0,0.805299997329712,0.0,3.36409997940063,0.648508071899414,,13.0,12.0
InChI%3D1S%2FC9H11NO2.CH4O3S%2Fc1-2-12-9%2811%297-4-3-5-8%2810%296-7%3B1-5%282%2C3%294%2Fh3-6H%2C2%2C10H2%2C1H3%3B1H3%2C%28H%2C2%2C3%2C4%29,6.0,16.0,32.0,3.0,1.78999996185303,,,5.0,2.0,-0.927500009536743,2.0,37.1203994750977,0.860256254673004,,10.0,6.0
InChI%3D1S%2FC12H10%2Fc1-3-9-4-2-6-11-8-7-10%285-1%2912%289%2911%2Fh1-6H%2C7-8H2,11.0,14.0,22.0,0.0,2.77999997138977,6.24399995803833,1.0,0.0,0.0,0.124799996614456,0.0,9.73079967498779,0.0155750401318073,,10.0,10.0
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,10.0,10.0,15.0,0.0,2.23000001907349,2.64599990844727,0.0,0.0,0.0,-0.154100000858307,0.0,1.61909997463226,0.0237468108534813,,7.0,6.0
InChI%3D1S%2FC8H19N%2Fc1-2-3-4-5-6-7-8-9%2Fh2-9H2%2C1H3,0.0,8.0,28.0,6.0,2.23000001907349,3.05999994277954,0.0,9.0,1.0,-2.41499996185303,8.0,32.3026008605957,5.83222484588623,,0.0,0.0
InChI%3D1S%2FC7H5NO4%2Fc9-4-5-3-6%2810%291-2-7%285%298%2811%2912%2Fh1-4%2C10H,6.0,12.0,17.0,2.0,1.67999994754791,1.37100005149841,0.0,2.0,1.0,-0.699299991130829,0.0,11.7442998886108,0.489020496606827,,12.0,6.0
InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2,6.0,7.0,14.0,0.0,2.00999999046326,1.97699999809265,0.0,0.0,1.0,-0.749899983406067,0.0,4.22209978103638,0.562350034713745,,7.0,6.0
InChI%3D1S%2FC7H10%2Fc1-2-7-4-3-6%281%295-7%2Fh1-2%2C6-7H%2C3-5H2,0.0,8.0,17.0,0.0,2.23000001907349,2.99699997901917,0.0,0.0,0.0,0.429199993610382,0.0,29.6931991577148,0.184212639927864,,2.0,0.0
InChI%3D1S%2FC10H12N2.ClH%2Fc1-2-4-9%285-3-1%298-10-11-6-7-12-10%3B%2Fh1-5H%2C6-8H2%2C%28H%2C11%2C12%29%3B1H,6.0,13.0,26.0,2.0,2.23000001907349,3.64199995994568,0.0,0.0,1.0,-0.642799973487854,0.0,22.4853992462158,0.413191825151443,,6.0,6.0
InChI%3D1S%2FC9H13BrN2O2%2Fc1-4-5%282%2912-8%2813%297%2810%296%283%2911-9%2812%2914%2Fh5H%2C4H2%2C1-3H3%2C%28H%2C11%2C14%29,0.0,14.0,31.0,2.0,1.89999997615814,1.00399994850159,0.0,4.0,2.0,-0.300300002098083,4.0,56.019401550293,0.0901800915598869,,3.0,0.0
InChI%3D1S%2FC9H12O%2Fc1-6-4-5-7%282%299%2810%298%286%293%2Fh4-5%2C10H%2C1-3H3,6.0,10.0,22.0,0.0,2.33999991416931,2.59100008010864,0.0,0.0,1.0,1.46570003032684,0.0,19.0708999633789,2.14827656745911,,7.0,6.0
InChI%3D1S%2FC7H9N%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5H%2C8H2%2C1H3,6.0,8.0,17.0,0.0,2.11999988555908,2.29999995231628,0.0,0.0,1.0,-0.107900001108646,0.0,9.72420024871826,0.0116424104198813,,7.0,6.0
InChI%3D1S%2FC6H4N2O5%2Fc9-6-3-4%287%2810%2911%291-2-5%286%298%2812%2913%2Fh1-3%2C9H,6.0,13.0,17.0,2.0,1.35000002384186,2.46499991416931,0.0,3.0,1.0,-0.55349999666214,0.0,8.33619976043701,0.306362241506577,,13.0,6.0
InChI%3D1S%2FC11H16O%2Fc1-4-11%282%2C3%299-5-7-10%2812%298-6-9%2Fh5-8%2C12H%2C4H2%2C1-3H3,6.0,12.0,28.0,2.0,2.55999994277954,4.61899995803833,0.0,5.0,1.0,0.760800004005432,4.0,26.5398006439209,0.578816652297974,,7.0,6.0
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,0.0,5.0,8.0,1.0,1.24000000953674,2.57599997520447,0.0,6.0,0.0,2.39919996261597,2.0,30.7637996673584,5.75616073608398,,0.0,0.0
InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3,0.0,2.0,9.0,0.0,1.57000005245209,-0.0759999975562096,0.0,3.0,1.0,-0.107600003480911,2.0,12.555100440979,0.0115777598693967,,0.0,0.0
InChI%3D1S%2FC6H4Cl3N%2Fc7-3-1-2-4%2810%296%289%295%283%298%2Fh1-2H%2C10H2,6.0,10.0,14.0,0.0,1.67999994754791,2.05399990081787,0.0,0.0,1.0,1.48300004005432,0.0,21.0688991546631,2.19928908348083,,7.0,6.0
InChI%3D1S%2FC11H8O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6H%2C1H3,6.0,14.0,21.0,0.0,2.45000004768372,2.14100003242493,0.0,0.0,0.0,0.279900014400482,0.0,25.2175006866455,0.0783440098166466,,12.0,6.0
InChI%3D1S%2FC6H4N2O4%2Fc9-7%2810%295-1-2-6%284-3-5%298%2811%2912%2Fh1-4H,6.0,12.0,16.0,2.0,1.46000003814697,2.5699999332428,0.0,3.0,0.0,-0.0931999981403351,0.0,5.77159976959229,0.00868623983114958,,12.0,6.0
InChI%3D1S%2FC9H15NO6%2Fc1-4-14-7%2811%2910%288%2812%2915-5-2%299%2813%2916-6-3%2Fh4-6H2%2C1-3H3,0.0,15.0,31.0,9.0,1.67999994754791,1.37399995326996,0.0,16.0,0.0,1.8286999464035,2.0,51.3498992919922,3.3441436290741,,10.0,0.0
InChI%3D1S%2FC10H15BrO%2Fc1-9%282%296-4-5-10%289%2C3%298%2812%297%286%2911%2Fh6-7H%2C4-5H2%2C1-3H3,0.0,13.0,27.0,0.0,2.33999991416931,2.53099989891052,0.0,0.0,0.0,1.66620004177094,0.0,51.1352005004883,2.77622246742249,,1.0,0.0
InChI%3D1S%2FC13H10Cl2O2%2Fc14-10-1-3-12%2816%298%286-10%295-9-7-11%2815%292-4-13%289%2917%2Fh1-4%2C6-7%2C16-17H%2C5H2,12.0,18.0,27.0,2.0,2.45000004768372,3.3840000629425,0.0,0.0,2.0,1.02419996261597,0.0,20.9613990783691,1.0489856004715,,7.0,12.0
InChI%3D1S%2FC9H20O%2Fc1-2-3-4-5-6-7-8-9-10%2Fh10H%2C2-9H2%2C1H3,0.0,9.0,30.0,7.0,2.33999991416931,3.69600009918213,0.0,10.0,1.0,-2.41339993476868,9.0,33.5567016601562,5.82449960708618,,0.0,0.0
InChI%3D1S%2FC7H12O2%2Fc1-4-7%288%299-5-6%282%293%2Fh4%2C6H%2C1%2C5H2%2C2-3H3,0.0,8.0,21.0,4.0,2.00999999046326,1.61099994182587,0.0,9.0,0.0,1.09420001506805,3.0,35.3437995910645,1.1972736120224,,5.0,0.0
InChI%3D1S%2FC10H16O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7H%2C4-6H2%2C1-3H3,0.0,12.0,27.0,0.0,2.45000004768372,2.12700009346008,0.0,0.0,0.0,0.969299972057343,0.0,43.7625007629395,0.939542472362518,,2.0,0.0
InChI%3D1S%2FC7H5NO3%2Fc9-5-6-1-3-7%284-2-6%298%2810%2911%2Fh1-5H,6.0,11.0,16.0,2.0,1.78999996185303,2.33400011062622,0.0,2.0,0.0,-0.238999992609024,0.0,9.17969989776611,0.0571210011839867,,11.0,6.0
InChI%3D1S%2FC7H6BrNO%2Fc8-6-3-1-2-5%284-6%297%289%2910%2Fh1-4H%2C%28H2%2C9%2C10%29,6.0,10.0,16.0,1.0,1.89999997615814,2.87299990653992,0.0,2.0,2.0,0.807200014591217,0.0,17.0755004882812,0.651571810245514,,9.0,6.0
InChI%3D1S%2FC3H10N2%2Fc1-3%285%292-4%2Fh3H%2C2%2C4-5H2%2C1H3,0.0,4.0,15.0,1.0,1.57000005245209,-0.882000029087067,0.0,5.0,2.0,-1.48730003833771,3.0,22.4529991149902,2.21206140518188,,0.0,0.0
InChI%3D1S%2FC12H8BrNO%2Fc13-11-5-3-9%284-6-11%2912%2815%2910-2-1-7-14-8-10%2Fh1-8H,12.0,16.0,23.0,2.0,2.45000004768372,3.44899988174438,0.0,1.0,0.0,0.625,0.0,13.9450998306274,0.390625,,14.0,12.0
InChI%3D1S%2FC6H5ClO%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C8H,6.0,8.0,13.0,0.0,1.89999997615814,1.92900002002716,0.0,0.0,1.0,0.284000009298325,0.0,8.18019962310791,0.080655999481678,,7.0,6.0
InChI%3D1S%2FC16H22O4%2Fc1-3-5-11-19-15%2817%2913-9-7-8-10-14%2813%2916%2818%2920-12-6-4-2%2Fh7-10H%2C3-6%2C11-12H2%2C1-2H3,6.0,20.0,42.0,10.0,2.77999997138977,5.03399991989136,1.0,7.0,0.0,-1.20840001106262,4.0,45.4515991210938,1.46023058891296,,12.0,6.0
InChI%3D1S%2FN3.Na%2Fc1-3-2%3B%2Fq-1%3B%2B1,0.0,2.0,6.0,0.0,1.01999998092651,-1.67900002002716,0.0,3.0,1.0,,0.0,,,,3.0,0.0
InChI%3D1S%2FC10H15N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh5-9H%2C3-4H2%2C1-2H3,6.0,11.0,26.0,3.0,2.45000004768372,3.45199990272522,0.0,5.0,0.0,0.7185999751091,2.0,22.878999710083,0.516385972499847,,7.0,6.0
InChI%3D1S%2FC12H20O4%2Fc1-3-5-9-15-11%2813%297-8-12%2814%2916-10-6-4-2%2Fh7-8H%2C3-6%2C9-10H2%2C1-2H3,0.0,15.0,36.0,10.0,2.33999991416931,2.92600011825562,0.0,16.0,0.0,-0.953999996185303,4.0,55.6199989318848,0.910116016864777,,8.0,0.0
InChI%3D1S%2FC5H4ClNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H,6.0,8.0,12.0,0.0,1.67999994754791,0.917999982833862,0.0,0.0,1.0,0.0733999982476234,0.0,8.66679954528809,0.00538755999878049,,7.0,6.0
InChI%3D1S%2FC13H29N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14%2Fh2-14H2%2C1H3,0.0,13.0,43.0,11.0,2.77999997138977,5.90500020980835,2.0,14.0,1.0,-3.85500001907349,13.0,46.8605995178223,14.8610248565674,,0.0,0.0
InChI%3D1S%2FC8H10N2O3%2Fc1-2-13-6-3-4-7%289%298%285-6%2910%2811%2912%2Fh3-5H%2C2%2C9H2%2C1H3,6.0,13.0,23.0,3.0,1.78999996185303,2.49000000953674,0.0,3.0,1.0,-0.597899973392487,2.0,18.7175006866455,0.357484400272369,,11.0,6.0
InChI%3D1S%2FC17H19NO3%2Fc19-17%2818-10-4-1-5-11-18%297-3-2-6-14-8-9-15-16%2812-14%2921-13-20-15%2Fh2-3%2C6-9%2C12H%2C1%2C4-5%2C10-11%2C13H2%2Fb6-2-%2C7-3-,6.0,23.0,40.0,4.0,2.89000010490417,3.16700005531311,0.0,6.0,0.0,-0.949400007724762,5.0,53.6348991394043,0.901360332965851,,15.0,6.0
InChI%3D1S%2FC3H8O%2Fc1-3%282%294%2Fh3-4H%2C1-2H3,0.0,3.0,12.0,0.0,1.67999994754791,0.38400000333786,0.0,4.0,1.0,-0.408100008964539,3.0,17.7598991394043,0.166545614600182,,0.0,0.0
InChI%3D1S%2FC12H27N%2Fc1-3-5-7-9-11-13-12-10-8-6-4-2%2Fh13H%2C3-12H2%2C1-2H3,0.0,12.0,40.0,10.0,2.67000007629395,4.80000019073486,0.0,13.0,1.0,-2.59859991073608,6.0,47.8146018981934,6.75272178649902,,0.0,0.0
InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-4H,6.0,12.0,16.0,1.0,1.89999997615814,3.46900010108948,0.0,3.0,0.0,1.1327999830246,0.0,12.6331996917725,1.28323578834534,,8.0,6.0
InChI%3D1S%2FC3H6O2%2Fc1-3%284%295-2%2Fh1-2H3,0.0,4.0,11.0,1.0,1.57000005245209,0.24099999666214,0.0,5.0,0.0,0.0210999995470047,0.0,17.4127998352051,0.000445209996541962,,3.0,0.0
InChI%3D1S%2FC6H10%2Fc1-5%282%296%283%294%2Fh1%2C3H2%2C2%2C4H3,0.0,5.0,16.0,1.0,2.11999988555908,2.74000000953674,0.0,6.0,0.0,2.30780005455017,4.0,28.8584003448486,5.32594060897827,,4.0,0.0
InChI%3D1S%2FC7H3I2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,6.0,11.0,14.0,0.0,1.78999996185303,2.44899988174438,0.0,2.0,1.0,2.41459989547729,0.0,36.6556015014648,5.83029317855835,,9.0,6.0
InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3,0.0,4.0,11.0,1.0,1.57000005245209,2.03699994087219,0.0,5.0,0.0,1.50109994411469,3.0,25.2399997711182,2.25330114364624,,0.0,0.0
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,6.0,6.0,12.0,0.0,2.11999988555908,4.06199979782104,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,6.0,6.0
InChI%3D1S%2FC8H14O%2Fc1-3-5-6-7-8%289%294-2%2Fh2%2C8-9H%2C3%2C5-7H2%2C1H3,0.0,8.0,23.0,4.0,2.23000001907349,2.35999989509583,0.0,9.0,1.0,-0.846499979496002,8.0,31.2717990875244,0.716562271118164,,2.0,0.0
InChI%3D1S%2FC7H14O%2Fc1-4-6%282%297%283%295-8%2Fh5-7H%2C4H2%2C1-3H3,0.0,7.0,22.0,3.0,2.11999988555908,2.52600002288818,0.0,8.0,0.0,-0.000899999984540045,5.0,32.9935989379883,8.10000017281709e-07,,1.0,0.0
InChI%3D1S%2FC9H10O4%2Fc1-12-6-3-8%2811%297%285-10%299%284-6%2913-2%2Fh3-5%2C11H%2C1-2H3,6.0,13.0,23.0,3.0,2.00999999046326,1.02499997615814,0.0,2.0,1.0,-0.75629997253418,0.0,23.4901008605957,0.571989715099335,,11.0,6.0
InChI%3D1S%2F4C4H9.Sn%2Fc4%2A1-3-4-2%3B%2Fh4%2A1%2C3-4H2%2C2H3%3B,0.0,12.0,61.0,4.0,3.10999989509583,10.46399974823,1.0,4.0,0.0,-1.89359998703003,4.0,70.4823989868164,3.58572101593018,,0.0,0.0
InChI%3D1S%2FC7H7ClO%2Fc1-5-4-6%289%292-3-7%285%298%2Fh2-4%2C9H%2C1H3,6.0,9.0,16.0,0.0,2.00999999046326,2.04099988937378,0.0,0.0,1.0,0.925999999046326,0.0,13.6822996139526,0.857475996017456,,7.0,6.0
InChI%3D1S%2FC2HCl5%2Fc3-1%284%292%285%2C6%297%2Fh1H,0.0,6.0,8.0,1.0,1.12999999523163,3.22900009155273,0.0,7.0,0.0,2.88779997825623,2.0,36.3208999633789,8.33938884735107,,0.0,0.0
InChI%3D1S%2FC6H12N2%2Fc1-2-8-5-3-7%281%294-6-8%2Fh1-6H2,0.0,9.0,20.0,0.0,1.89999997615814,-0.504000008106232,0.0,0.0,0.0,0.096000000834465,0.0,34.0691986083984,0.0092160003259778,,0.0,0.0
InChI%3D1S%2FC12H10O3%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8%2C13-14H,12.0,16.0,25.0,2.0,2.45000004768372,2.75799989700317,0.0,0.0,2.0,-1.07469999790192,0.0,6.74830007553101,1.15498006343842,,15.0,12.0
InChI%3D1S%2FC6H14N2O%2Fc9-6-5-8-3-1-7-2-4-8%2Fh7%2C9H%2C1-6H2,0.0,9.0,23.0,2.0,1.78999996185303,-1.24199998378754,0.0,3.0,2.0,-0.797900021076202,2.0,37.0358009338379,0.636644423007965,,0.0,0.0
InChI%3D1S%2FC11H16%2Fc1-2-3-5-8-11-9-6-4-7-10-11%2Fh4%2C6-7%2C9-10H%2C2-3%2C5%2C8H2%2C1H3,6.0,11.0,27.0,4.0,2.67000007629395,6.66099977493286,1.0,5.0,0.0,-0.750299990177155,5.0,19.4988994598389,0.562950074672699,,6.0,6.0
InChI%3D1S%2FC7H7NO2%2Fc8-7%2810%295-3-1-2-4-6%285%299%2Fh1-4%2C9H%2C%28H2%2C8%2C10%29,6.0,10.0,17.0,1.0,1.89999997615814,2.1159999370575,0.0,3.0,3.0,-0.541899979114532,0.0,11.0410003662109,0.293655604124069,,10.0,6.0
InChI%3D1S%2FC5H10O%2Fc1-4%282%295%283%296%2Fh4H%2C1-3H3,0.0,5.0,16.0,1.0,1.89999997615814,0.731000006198883,0.0,6.0,1.0,0.480399996042252,4.0,25.8570003509521,0.23078416287899,,1.0,0.0
InChI%3D1S%2FC14H14OS%2Fc15-16%2811-13-7-3-1-4-8-13%2912-14-9-5-2-6-10-14%2Fh1-10H%2C11-12H2,12.0,17.0,30.0,4.0,2.77999997138977,4.96799993515015,0.0,4.0,0.0,-0.497999995946884,0.0,18.589599609375,0.248004004359245,,6.0,12.0
InChI%3D1S%2FC8H19N%2Fc1-3-4-5-6-7-8%282%299%2Fh8H%2C3-7%2C9H2%2C1-2H3,0.0,8.0,28.0,5.0,2.23000001907349,2.95099997520447,0.0,9.0,1.0,-2.13770008087158,8.0,33.975399017334,4.56976127624512,,0.0,0.0
InChI%3D1S%2FC6H11BrO%2Fc7-5-6-3-1-2-4-8-6%2Fh6H%2C1-5H2,0.0,8.0,19.0,1.0,1.89999997615814,2.0239999294281,0.0,2.0,0.0,-0.156499996781349,0.0,31.7752990722656,0.0244922507554293,,0.0,0.0
InChI%3D1S%2FC2H3F3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2,0.0,5.0,9.0,1.0,1.24000000953674,0.925999999046326,0.0,6.0,1.0,0.649399995803833,2.0,13.7114000320435,0.42172035574913,,0.0,0.0
InChI%3D1S%2FC11H16O%2Fc1-11%282%2C12%299-8-10-6-4-3-5-7-10%2Fh3-7%2C12H%2C8-9H2%2C1-2H3,6.0,12.0,28.0,3.0,2.55999994277954,4.63500022888184,0.0,6.0,1.0,0.451799988746643,4.0,25.6497993469238,0.204123243689537,,6.0,6.0
InChI%3D1S%2FC6H5ClO2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3%2C8-9H,6.0,9.0,14.0,0.0,1.78999996185303,1.39499998092651,0.0,0.0,2.0,-0.176300004124641,0.0,10.7447996139526,0.0310816895216703,,8.0,6.0
InChI%3D1S%2FC6H10%2Fc1-3-5-6-4-2%2Fh3-6H%2C1-2H3,0.0,5.0,16.0,1.0,2.11999988555908,3.00399994850159,0.0,6.0,0.0,1.81459999084473,6.0,32.1021995544434,3.29277324676514,,4.0,0.0
InChI%3D1S%2FC3H6O%2Fc1-2-3-4%2Fh2%2C4H%2C1%2C3H2,0.0,3.0,10.0,1.0,1.67999994754791,0.11599999666214,0.0,4.0,1.0,0.258799999952316,3.0,17.423999786377,0.0669774413108826,,2.0,0.0
InChI%3D1S%2FC12H11NO3S%2Fc14-17%2815%2C16%2912-7-4-8-13%2810-12%299-11-5-2-1-3-6-11%2Fh1-8%2C10H%2C9H2,12.0,18.0,17.0,3.0,2.23000001907349,0.211999997496605,0.0,4.0,1.0,,0.0,,,,6.0,6.0
InChI%3D1S%2FC8H19NO%2Fc1-7%282%299%285-6-10%298%283%294%2Fh7-8%2C10H%2C5-6H2%2C1-4H3,0.0,9.0,29.0,4.0,2.11999988555908,1.12000000476837,0.0,10.0,1.0,-0.319499999284744,2.0,45.2775993347168,0.102080248296261,,0.0,0.0
InChI%3D1S%2FC10H14O%2Fc1-2-3-9-11-10-7-5-4-6-8-10%2Fh4-8H%2C2-3%2C9H2%2C1H3,6.0,11.0,25.0,4.0,2.45000004768372,3.91300010681152,0.0,5.0,0.0,-0.667200028896332,4.0,18.0531997680664,0.445155829191208,,7.0,6.0
InChI%3D1S%2FC8H7BrO3%2Fc1-12-7-3-5%284-10%292-6%289%298%287%2911%2Fh2-4%2C11H%2C1H3,6.0,12.0,19.0,2.0,1.89999997615814,1.47399997711182,0.0,2.0,1.0,0.184300005435944,0.0,24.7733993530273,0.033966489136219,,10.0,6.0
InChI%3D1S%2FC11H15NO2%2Fc1-3-12%284-2%2910-6-5-9%288-13%2911%2814%297-10%2Fh5-8%2C14H%2C3-4H2%2C1-2H3,6.0,14.0,29.0,4.0,2.33999991416931,2.35800004005432,0.0,5.0,1.0,0.0658999979496002,2.0,31.7374992370605,0.00434280978515744,,10.0,6.0
InChI%3D1S%2FC9H11NO%2Fc1-2-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3,6.0,11.0,22.0,2.0,2.23000001907349,1.52100002765656,0.0,4.0,1.0,-0.927600026130676,3.0,20.0160007476807,0.860441744327545,,9.0,6.0
InChI%3D1S%2FC8H11NO%2Fc10-6-2-4-8-3-1-5-9-7-8%2Fh1%2C3%2C5%2C7%2C10H%2C2%2C4%2C6H2,6.0,10.0,21.0,3.0,2.11999988555908,1.09599995613098,0.0,4.0,1.0,-0.674300014972687,3.0,15.0537996292114,0.454680502414703,,6.0,6.0
InChI%3D1S%2FC14H18O4%2Fc1-3-17-13%2815%2912%2814%2816%2918-4-2%2910-11-8-6-5-7-9-11%2Fh5-9%2C12H%2C3-4%2C10H2%2C1-2H3,6.0,18.0,36.0,8.0,2.55999994277954,4.87900018692017,0.0,12.0,0.0,0.699699997901917,3.0,40.940601348877,0.489580094814301,,6.0,6.0
InChI%3D1S%2FC8H16O2%2Fc1-3-5-6-7-8%289%2910-4-2%2Fh3-7H2%2C1-2H3,0.0,9.0,26.0,6.0,2.11999988555908,2.62400007247925,0.0,10.0,0.0,-0.516300022602081,6.0,35.464900970459,0.266565680503845,,3.0,0.0
InChI%3D1S%2FC8H10O2%2Fc1-9-7-3-5-8%2810-2%296-4-7%2Fh3-6H%2C1-2H3,6.0,10.0,20.0,2.0,2.11999988555908,1.90799999237061,0.0,2.0,0.0,-0.10360000282526,0.0,14.6316003799438,0.0107329599559307,,8.0,6.0
InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh1%2C4H%2C3H2,0.0,3.0,8.0,0.0,1.67999994754791,-0.231000006198883,0.0,4.0,1.0,0.316199988126755,3.0,15.0410003662109,0.0999824404716492,,2.0,0.0
InChI%3D1S%2FC11H15NO%2Fc1-3-12%284-2%2911-7-5-10%289-13%296-8-11%2Fh5-9H%2C3-4H2%2C1-2H3,6.0,13.0,28.0,4.0,2.45000004768372,2.89199995994568,0.0,5.0,0.0,0.526199996471405,0.0,29.1728992462158,0.276886433362961,,9.0,6.0
InChI%3D1S%2FC20H30O2%2Fc1-13%282%2914-6-8-16-15%2812-14%297-9-17-19%2816%2C3%2910-5-11-20%2817%2C4%2918%2821%2922%2Fh12%2C16-17H%2C5-11H2%2C1-4H3%2C%28H%2C21%2C22%29%2Ft16-%2C17%2B%2C19%2B%2C20%2B%2Fm0%2Fs1,0.0,24.0,52.0,1.0,3.44000005722046,5.77600002288818,1.0,3.0,1.0,2.14840006828308,3.0,90.2817993164062,4.61562252044678,,4.0,0.0
InChI%3D1S%2FC9H9Cl%2Fc1-2-8-4-3-5-9%286-8%297-10%2Fh2-6H%2C1%2C7H2,6.0,10.0,19.0,2.0,2.33999991416931,4.77500009536743,0.0,2.0,0.0,1.46340000629425,0.0,20.4750003814697,2.14153957366943,,8.0,6.0
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,0.0,2.0,5.0,0.0,1.35000002384186,1.51900005340576,0.0,3.0,0.0,1.07290005683899,0.0,16.4382991790771,1.15111446380615,,0.0,0.0
InChI%3D1S%2FC11H9N%2Fc1-2-4-10%285-3-1%2911-6-8-12-9-7-11%2Fh1-9H,12.0,13.0,21.0,1.0,2.55999994277954,4.63000011444092,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,12.0,12.0
InChI%3D1S%2FC12H17NO2%2Fc1-12%282%2C3%299-5-7-10%288-6-9%2915-11%2814%2913-4%2Fh5-8H%2C1-4H3%2C%28H%2C13%2C14%29,6.0,15.0,32.0,3.0,2.45000004768372,5.01399993896484,1.0,5.0,1.0,1.79139995574951,0.0,34.3709983825684,3.20911407470703,,10.0,6.0
InChI%3D1S%2FC10H10N2O2S%2Fc1-9-2-4-10%285-3-9%2915%2813%2C14%2912-7-6-11-8-12%2Fh2-8H%2C1H3,11.0,16.0,25.0,2.0,2.00999999046326,2.10999989509583,0.0,2.0,1.0,-0.29449999332428,0.0,16.6436996459961,0.0867302492260933,,10.0,6.0
InChI%3D1S%2FC8H6ClNO4%2Fc1-14-8%2811%296-3-2-5%289%294-7%286%2910%2812%2913%2Fh2-4H%2C1H3,6.0,14.0,20.0,3.0,1.67999994754791,2.33699989318848,0.0,4.0,0.0,0.708899974822998,0.0,20.4897994995117,0.502539217472076,,12.0,6.0
InChI%3D1S%2FC7H5ClN2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-3H%2C10H2,6.0,10.0,15.0,0.0,1.89999997615814,1.21000003814697,0.0,2.0,1.0,0.0291000008583069,0.0,16.0363006591797,0.000846809998620301,,9.0,6.0
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,0.0,3.0,8.0,1.0,1.46000003814697,1.74000000953674,0.0,4.0,0.0,1.51180005073547,2.0,20.6555995941162,2.28553915023804,,0.0,0.0
InChI%3D1S%2FC7H4ClFO%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-4H,6.0,10.0,14.0,1.0,1.89999997615814,2.50200009346008,0.0,2.0,0.0,1.03159999847412,0.0,12.7819995880127,1.06419861316681,,8.0,6.0
InChI%3D1S%2FC10H18O4%2Fc1-3-13-9%2811%297-5-6-8-10%2812%2914-4-2%2Fh3-8H2%2C1-2H3,0.0,13.0,32.0,9.0,2.11999988555908,1.49399995803833,0.0,14.0,0.0,0.0167999994009733,6.0,47.4860000610352,0.000282240012893453,,3.0,0.0
InChI%3D1S%2FC9H7NO2%2Fc1-12-9%2811%298-4-2-7%286-10%293-5-8%2Fh2-5H%2C1H3,6.0,12.0,19.0,2.0,2.11999988555908,1.70200002193451,0.0,4.0,0.0,0.0458999983966351,0.0,18.1870002746582,0.0021068099886179,,11.0,6.0
InChI%3D1S%2FC7H12O%2Fc8-7-4-5-1-2-6%287%293-5%2Fh5-8H%2C1-4H2%2Ft5-%2C6%2B%2C7%2B%2Fm0%2Fs1,0.0,9.0,20.0,0.0,2.11999988555908,1.22500002384186,0.0,0.0,1.0,-0.293700009584427,0.0,29.7889003753662,0.0862596929073334,,0.0,0.0
InChI%3D1S%2FC6H15N3%2Fc7-1-4-9-5-2-8-3-6-9%2Fh8H%2C1-7H2,0.0,9.0,24.0,2.0,1.78999996185303,-1.30900001525879,0.0,3.0,2.0,-1.08749997615814,2.0,38.6932983398438,1.18265628814697,,0.0,0.0
InChI%3D1S%2FC13H11NO3%2Fc14-9-6-7-11%2812%2815%298-9%2913%2816%2917-10-4-2-1-3-5-10%2Fh1-8%2C15H%2C14H2,12.0,18.0,28.0,3.0,2.45000004768372,3.33299994468689,0.0,3.0,2.0,-1.30130004882812,0.0,13.0783996582031,1.69338166713715,,17.0,12.0
InChI%3D1S%2FC14H20ClNO2%2Fc1-4-11-7-6-8-12%285-2%2914%2811%2916%2810-18-3%2913%2817%299-15%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3,6.0,18.0,38.0,7.0,2.55999994277954,3.94099998474121,0.0,8.0,0.0,0.475199997425079,2.0,49.869800567627,0.225815042853355,,9.0,6.0
InChI%3D1S%2FC3H7Br%2Fc1-2-3-4%2Fh2-3H2%2C1H3,0.0,3.0,11.0,1.0,1.67999994754791,2.09400010108948,0.0,4.0,0.0,0.663699984550476,3.0,22.1215991973877,0.440497696399689,,0.0,0.0
InChI%3D1S%2FC6H15NO%2Fc1-3-7%284-2%295-6-8%2Fh8H%2C3-6H2%2C1-2H3,0.0,7.0,23.0,4.0,1.89999997615814,0.200000002980232,0.0,8.0,1.0,0.28150001168251,2.0,34.8680000305176,0.0792422518134117,,0.0,0.0
InChI%3D1S%2FC4H8O%2Fc1-3-4%282%295%2Fh3H2%2C1-2H3,0.0,4.0,13.0,1.0,1.78999996185303,0.437999993562698,0.0,5.0,0.0,-0.16779999434948,4.0,21.2182998657227,0.0281568393111229,,1.0,0.0
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3,0.0,5.0,15.0,1.0,1.67999994754791,0.680999994277954,0.0,6.0,1.0,-0.125900000333786,4.0,24.7532005310059,0.0158508103340864,,3.0,0.0
InChI%3D1S%2FC13H10O%2Fc14-13%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,12.0,15.0,24.0,2.0,2.77999997138977,5.67700004577637,1.0,2.0,0.0,-0.263799995183945,0.0,5.34600019454956,0.0695904418826103,,14.0,12.0
InChI%3D1S%2FC11H17O3P%2Fc1-3-13-15%2812%2C14-4-2%2910-11-8-6-5-7-9-11%2Fh5-9H%2C3-4%2C10H2%2C1-2H3,6.0,15.0,32.0,6.0,2.23000001907349,3.47499990463257,0.0,9.0,0.0,0.285800009965897,2.0,33.869499206543,0.0816816389560699,,6.0,6.0
InChI%3D1S%2FC9H12O%2Fc1-2-3-8-4-6-9%2810%297-5-8%2Fh4-7%2C10H%2C2-3H2%2C1H3,6.0,10.0,22.0,2.0,2.33999991416931,3.50500011444092,0.0,3.0,1.0,-0.634599983692169,3.0,16.2402992248535,0.402717173099518,,7.0,6.0
InChI%3D1S%2FC7H5ClO%2Fc8-7-3-1-6%285-9%292-4-7%2Fh1-5H,6.0,9.0,14.0,1.0,2.00999999046326,2.54299998283386,0.0,2.0,0.0,0.551900029182434,0.0,11.9095001220703,0.304593622684479,,8.0,6.0
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3,0.0,5.0,18.0,1.0,1.89999997615814,1.32000005245209,0.0,6.0,0.0,0.981800019741058,0.0,26.8162994384766,0.963931262493134,,0.0,0.0
InChI%3D1S%2FC6H7ClN.HI%2Fc1-8-5-3-2-4-6%288%297%3B%2Fh2-5H%2C1H3%3B1H%2Fq%2B1%3B%2Fp-1,6.0,8.0,17.0,0.0,1.78999996185303,2.8989999294281,0.0,0.0,1.0,,0.0,,,,0.0,0.0
InChI%3D1S%2FC7H5NO3%2Fc9-5-6-3-1-2-4-7%286%298%2810%2911%2Fh1-5H,6.0,11.0,16.0,2.0,1.78999996185303,2.54500007629395,0.0,2.0,0.0,-0.238999992609024,0.0,9.17969989776611,0.0571210011839867,,11.0,6.0
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,0.0,5.0,13.0,0.0,1.78999996185303,0.526000022888184,0.0,0.0,0.0,-0.706900000572205,0.0,16.86669921875,0.499707609415054,,0.0,0.0
InChI%3D1S%2FC10H18O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-7%2C10H2%2C1H3,0.0,10.0,29.0,5.0,2.45000004768372,3.67700004577637,0.0,11.0,1.0,-1.1845999956131,10.0,41.1623001098633,1.40327715873718,,2.0,0.0
InChI%3D1S%2FC3H6O%2Fc1-3%282%294%2Fh1-2H3,0.0,3.0,10.0,0.0,1.67999994754791,0.185000002384186,0.0,4.0,0.0,-0.244000002741814,3.0,16.1947994232178,0.0595359988510609,,1.0,0.0
InChI%3D1S%2FC7H4ClNO3%2Fc8-7-2-1-6%289%2811%2912%293-5%287%294-10%2Fh1-4H,6.0,12.0,16.0,2.0,1.67999994754791,2.4300000667572,0.0,2.0,0.0,0.505299985408783,0.0,14.7952995300293,0.255328088998795,,11.0,6.0
InChI%3D1S%2FC10H17N%2Fc11-10-4-7-1-8%285-10%293-9%282-7%296-10%2Fh7-9H%2C1-6%2C11H2,0.0,13.0,28.0,0.0,2.45000004768372,2.31200003623962,0.0,0.0,1.0,-1.5786999464035,0.0,44.1259002685547,2.4922935962677,,0.0,0.0
InChI%3D1S%2FC4H11N%2Fc1-2-3-4-5%2Fh2-5H2%2C1H3,0.0,4.0,16.0,2.0,1.78999996185303,0.783999979496002,0.0,5.0,1.0,-1.26300001144409,4.0,20.6562004089355,1.59516894817352,,0.0,0.0
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,6.0,8.0,14.0,0.0,1.89999997615814,1.86199998855591,0.0,0.0,1.0,-0.00559999980032444,0.0,9.83769989013672,3.13599994115066e-05,,7.0,6.0
InChI%3D1S%2FC8H18S2%2Fc1-3-5-9-7-8-10-6-4-2%2Fh3-8H2%2C1-2H3,0.0,9.0,28.0,7.0,2.11999988555908,3.71399998664856,0.0,10.0,0.0,0.754199981689453,3.0,52.0564002990723,0.568817615509033,,0.0,0.0
InChI%3D1S%2FC7H9N%2Fc1-2-7-5-3-4-6-8-7%2Fh3-6H%2C2H2%2C1H3,6.0,8.0,17.0,1.0,2.11999988555908,2.25500011444092,0.0,2.0,0.0,-0.236699998378754,2.0,8.81029987335205,0.056026890873909,,6.0,6.0
InChI%3D1S%2FC7H6N2O3%2Fc8-7%2810%295-1-3-6%284-2-5%299%2811%2912%2Fh1-4H%2C%28H2%2C8%2C10%29,6.0,12.0,18.0,2.0,1.67999994754791,1.19200003147125,0.0,3.0,1.0,-0.681400001049042,0.0,10.3273000717163,0.464305967092514,,12.0,6.0
InChI%3D1S%2FC12H16O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-3%2C6-7%2C11-13H%2C4-5%2C8-9H2%2Ft11%3F%2C12-%2Fm1%2Fs1,6.0,14.0,29.0,1.0,2.67000007629395,4.53299999237061,0.0,0.0,1.0,-1.42519998550415,0.0,21.9519004821777,2.03119492530823,,6.0,6.0
InChI%3D1S%2FC4H3BrS%2Fc5-4-1-2-6-3-4%2Fh1-3H,5.0,6.0,9.0,0.0,1.67999994754791,2.55299997329712,0.0,0.0,0.0,1.47940003871918,0.0,16.392599105835,2.18862438201904,,5.0,5.0
InChI%3D1S%2FC17H13N%2Fc1-3-8-14%289-4-1%2916-12-7-13-17%2818-16%2915-10-5-2-6-11-15%2Fh1-13H,18.0,20.0,31.0,2.0,3.22000002861023,7.36399984359741,1.0,0.0,0.0,0.0,0.0,0.0,0.0,,18.0,18.0
InChI%3D1S%2FC10H20O%2Fc1-3-4-5-6-7-8-9-10%282%2911%2Fh3-9H2%2C1-2H3,0.0,10.0,31.0,7.0,2.45000004768372,3.85199999809265,0.0,11.0,0.0,-1.89579999446869,10.0,38.6879005432129,3.59405755996704,,1.0,0.0
InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3,0.0,2.0,7.0,0.0,1.57000005245209,0.333999991416931,0.0,3.0,0.0,-0.182500004768372,2.0,11.7182998657227,0.033306248486042,,1.0,0.0
InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%288%296%2811%295%2810%294%282%299%2Fh1%2C11H,6.0,11.0,13.0,0.0,1.57000005245209,2.21700000762939,0.0,0.0,1.0,2.51690006256104,0.0,25.0270004272461,6.33478546142578,,7.0,6.0
InChI%3D1S%2FC11H16N2O2%2Fc1-8-7-9%2815-11%2814%2912-2%295-6-10%288%2913%283%294%2Fh5-7H%2C1-4H3%2C%28H%2C12%2C14%29,6.0,15.0,31.0,3.0,2.23000001907349,2.50799989700317,0.0,5.0,1.0,1.09500002861023,0.0,35.0377006530762,1.19902503490448,,11.0,6.0
InChI%3D1S%2FC7H5NO4%2Fc9-6%2810%294-2-1-3-5%288-4%297%2811%2912%2Fh1-3H%2C%28H%2C9%2C10%29%28H%2C11%2C12%29,6.0,12.0,17.0,2.0,1.67999994754791,0.649999976158142,0.0,3.0,2.0,-0.479600012302399,0.0,14.4385995864868,0.230016157031059,,12.0,6.0
InChI%3D1S%2FC13H29NO4%2Fc1-6-15-12%2816-7-2%2910-14%285%2911-13%2817-8-3%2918-9-4%2Fh12-13H%2C6-11H2%2C1-5H3,0.0,17.0,47.0,12.0,2.33999991416931,1.34300005435944,1.0,18.0,0.0,1.19749999046326,2.0,70.8125,1.43400621414185,,0.0,0.0
InChI%3D1S%2FC8H6BrNO5%2Fc1-15-8-6%2810%2813%2914%294%283-11%292-5%289%297%288%2912%2Fh2-3%2C12H%2C1H3,6.0,15.0,21.0,3.0,1.57000005245209,1.36099994182587,0.0,2.0,1.0,0.137700006365776,0.0,27.659200668335,0.0189612898975611,,13.0,6.0
InChI%3D1S%2FC12H21N2O3PS%2Fc1-6-15-18%2819%2C16-7-2%2917-11-8-10%285%2913-12%2814-11%299%283%294%2Fh8-9H%2C6-7H2%2C1-5H3,6.0,19.0,40.0,7.0,2.00999999046326,4.2960000038147,0.0,9.0,0.0,2.5181999206543,2.0,58.980899810791,6.34133100509644,,11.0,6.0
InChI%3D1S%2FC6H10O%2Fc7-6-4-2-1-3-5-6%2Fh1-5H2,0.0,7.0,17.0,0.0,2.00999999046326,0.920000016689301,0.0,0.0,2.0,-1.05820000171661,0.0,23.17919921875,1.11978721618652,,2.0,0.0
InChI%3D1S%2FC10H11BrO3%2Fc1-13-7-3-4-10%2814-2%298%285-7%299%2812%296-11%2Fh3-5H%2C6H2%2C1-2H3,6.0,14.0,25.0,4.0,2.11999988555908,1.98500001430511,0.0,4.0,0.0,0.319599986076355,2.0,33.1386985778809,0.102144159376621,,10.0,6.0
InChI%3D1S%2FC7H7NO%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H%2C%28H2%2C8%2C9%29,6.0,9.0,16.0,1.0,2.00999999046326,3.07200002670288,0.0,3.0,2.0,-0.0816000029444695,0.0,8.47640037536621,0.00665856013074517,,9.0,6.0
InChI%3D1S%2FC12H22O4%2Fc1-3-5-9-15-11%2813%297-8-12%2814%2916-10-6-4-2%2Fh3-10H2%2C1-2H3,0.0,15.0,38.0,11.0,2.33999991416931,2.63199996948242,1.0,16.0,0.0,-1.13880002498627,4.0,54.5499992370605,1.29686546325684,,3.0,0.0
InChI%3D1S%2FC16H25NO2%2Fc1-3-4-5-6-7-10-13-19-16-12-9-8-11-15%2816%2917-14%282%2918%2Fh8-9%2C11-12H%2C3-7%2C10%2C13H2%2C1-2H3%2C%28H%2C17%2C18%29,6.0,19.0,44.0,9.0,2.89000010490417,5.81099987030029,1.0,9.0,1.0,-1.89090001583099,8.0,43.600399017334,3.57550287246704,,10.0,6.0
InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh1%2C5H%2C3-4H2,0.0,4.0,11.0,1.0,1.78999996185303,-0.0729999989271164,0.0,5.0,1.0,0.571799993515015,4.0,19.4927997589111,0.326955229043961,,2.0,0.0
InChI%3D1S%2FC5H12O%2Fc1-2-3-4-5-6%2Fh6H%2C2-5H2%2C1H3,0.0,5.0,18.0,3.0,1.89999997615814,1.41999995708466,0.0,6.0,1.0,-1.26139998435974,5.0,21.9102993011475,1.59113001823425,,0.0,0.0
InChI%3D1S%2FC6H6FN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,6.0,8.0,14.0,0.0,1.89999997615814,1.72500002384186,0.0,0.0,1.0,-0.27020001411438,0.0,5.09460020065308,0.0730080381035805,,7.0,6.0
InChI%3D1S%2FC6H13NO%2Fc1-5-3-7-4-6%282%298-5%2Fh5-7H%2C3-4H2%2C1-2H3,0.0,8.0,21.0,0.0,1.89999997615814,0.34400001168251,0.0,0.0,1.0,-0.549499988555908,0.0,32.9366989135742,0.301950246095657,,0.0,0.0
InChI%3D1S%2FC8H14O%2Fc1-7%282%295-4-6-8%283%299%2Fh5H%2C4%2C6H2%2C1-3H3,0.0,8.0,23.0,3.0,2.23000001907349,1.7960000038147,0.0,9.0,0.0,1.59270000457764,7.0,39.8740997314453,2.53669333457947,,2.0,0.0
InChI%3D1S%2FC6H10O3%2Fc1-5%282%296%288%299-4-3-7%2Fh7H%2C1%2C3-4H2%2C2H3,0.0,8.0,19.0,4.0,1.78999996185303,0.00499999988824129,0.0,9.0,1.0,0.625699996948242,3.0,32.7098999023438,0.391500502824783,,5.0,0.0
InChI%3D1S%2FC6H10O%2Fc1-3-5-6%287%294-2%2Fh3-4%2C6-7H%2C1-2%2C5H2,0.0,6.0,17.0,3.0,2.00999999046326,1.20299994945526,0.0,7.0,1.0,1.15989995002747,6.0,30.7087001800537,1.34536802768707,,2.0,0.0
InChI%3D1S%2FC8H18S2%2Fc1-3-9-7-5-6-8-10-4-2%2Fh3-8H2%2C1-2H3,0.0,9.0,28.0,7.0,2.11999988555908,3.71399998664856,0.0,10.0,0.0,1.33379995822906,4.0,50.815601348877,1.77902245521545,,0.0,0.0
InChI%3D1S%2FC7HF5O%2Fc8-3-2%281-13%294%289%296%2811%297%2812%295%283%2910%2Fh1H,6.0,13.0,14.0,1.0,1.57000005245209,2.24200010299683,0.0,2.0,0.0,2.20609998703003,0.0,10.6563997268677,4.86687707901001,,8.0,6.0
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,0.0,3.0,5.0,0.0,1.24000000953674,2.07399988174438,0.0,4.0,0.0,1.6172000169754,0.0,21.364200592041,2.6153359413147,,0.0,0.0
InChI%3D1S%2FC20H28O2%2Fc1-13%282%2914-6-8-16-15%2812-14%297-9-17-19%2816%2C3%2910-5-11-20%2817%2C4%2918%2821%2922%2Fh6%2C8%2C12-13%2C17H%2C5%2C7%2C9-11H2%2C1-4H3%2C%28H%2C21%2C22%29%2Ft17-%2C19-%2C20-%2Fm1%2Fs1,6.0,24.0,50.0,2.0,3.44000005722046,7.94600009918213,1.0,3.0,1.0,0.901400029659271,3.0,63.4715995788574,0.812521934509277,,6.0,6.0
InChI%3D1S%2FC5H10Cl2%2Fc6-4-2-1-3-5-7%2Fh1-5H2,0.0,6.0,17.0,4.0,1.78999996185303,2.81399989128113,0.0,7.0,0.0,0.647800028324127,5.0,29.3903999328613,0.419644832611084,,0.0,0.0
InChI%3D1S%2FC6H12O%2Fc1-3-4-5-6%282%297%2Fh3-5H2%2C1-2H3,0.0,6.0,19.0,3.0,2.00999999046326,1.57599997520447,0.0,7.0,0.0,-0.743799984455109,6.0,27.0415000915527,0.553238451480865,,1.0,0.0
InChI%3D1S%2FC9H13N%2Fc1-8-4-6-9%287-5-8%2910%282%293%2Fh4-7H%2C1-3H3,6.0,10.0,23.0,1.0,2.33999991416931,2.92899990081787,0.0,2.0,0.0,0.859799981117249,0.0,19.7935009002686,0.739256024360657,,7.0,6.0
InChI%3D1S%2FC5Cl5N%2Fc6-1-2%287%294%289%2911-5%2810%293%281%298,6.0,11.0,11.0,0.0,1.35000002384186,2.65000009536743,0.0,0.0,0.0,3.30029988288879,0.0,29.0512008666992,10.8919801712036,,6.0,6.0
InChI%3D1S%2FC12H19N%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9H%2C13H2%2C1-4H3,6.0,13.0,32.0,2.0,2.67000007629395,4.35500001907349,0.0,3.0,1.0,0.395900011062622,3.0,32.7577018737793,0.156736806035042,,7.0,6.0
InChI%3D1S%2FC7H4Cl4%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3%2C7H,6.0,11.0,15.0,1.0,1.78999996185303,3.85999989509583,0.0,3.0,0.0,2.68819999694824,0.0,26.6131000518799,7.22641944885254,,6.0,6.0
InChI%3D1S%2FC5H6ClN3%2Fc1-3-2-4%286%299-5%287%298-3%2Fh2H%2C1H3%2C%28H2%2C7%2C8%2C9%29,0.0,9.0,19.0,0.0,1.57000005245209,1.33200001716614,0.0,0.0,3.0,-0.0907000005245209,0.0,32.6875991821289,0.00822648964822292,,4.0,0.0
InChI%3D1S%2FC8H8N2O%2Fc1-5-3-6%282%2910-8%2811%297%285%294-9%2Fh3H%2C1-2H3%2C%28H%2C10%2C11%29,6.0,11.0,19.0,0.0,2.00999999046326,1.10500001907349,0.0,2.0,1.0,0.655900001525879,0.0,19.9978008270264,0.430204808712006,,9.0,6.0
InChI%3D1S%2FC7H6Cl2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4H%2C1H3,6.0,9.0,15.0,0.0,2.00999999046326,3.31100010871887,0.0,0.0,0.0,2.13059997558594,0.0,16.7332992553711,4.53945636749268,,6.0,6.0
InChI%3D1S%2FC6H3Br3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,6.0,10.0,13.0,0.0,1.67999994754791,3.13499999046326,0.0,0.0,1.0,2.20609998703003,0.0,28.3619003295898,4.86687707901001,,7.0,6.0
InChI%3D1S%2FC2H3Cl3%2Fc1-2%283%2C4%295%2Fh1H3,0.0,4.0,8.0,0.0,1.35000002384186,2.46900010108948,0.0,5.0,0.0,2.02929997444153,2.0,26.2173004150391,4.11805868148804,,0.0,0.0
InChI%3D1S%2FC6H6ClN%2Fc1-5-3-2-4-6%287%298-5%2Fh2-4H%2C1H3,6.0,8.0,14.0,0.0,1.89999997615814,2.37800002098083,0.0,0.0,0.0,0.973200023174286,0.0,11.8346996307373,0.94711822271347,,6.0,6.0
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,0.0,5.0,6.0,0.0,1.24000000953674,3.02600002288818,0.0,6.0,0.0,2.42880010604858,2.0,30.9454002380371,5.89906930923462,,2.0,0.0
InChI%3D1S%2FC6H14O%2Fc1-4-6%283%2C7%295-2%2Fh7H%2C4-5H2%2C1-3H3,0.0,6.0,21.0,2.0,2.00999999046326,1.51699995994568,0.0,7.0,1.0,-0.779100000858307,5.0,28.2206993103027,0.606996834278107,,0.0,0.0
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,11.0,11.0,18.0,0.0,2.55999994277954,5.93800020217896,1.0,0.0,0.0,0.0,0.0,0.0,0.0,,10.0,10.0
InChI%3D1S%2FC4H11N%2Fc1-3-5-4-2%2Fh5H%2C3-4H2%2C1-2H3,0.0,4.0,16.0,2.0,1.78999996185303,0.670000016689301,0.0,5.0,1.0,0.284999996423721,2.0,23.2810001373291,0.0812250003218651,,0.0,0.0
InChI%3D1S%2FC7H3Cl2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,6.0,11.0,14.0,0.0,1.78999996185303,1.37300002574921,0.0,2.0,1.0,1.06299996376038,0.0,19.9944000244141,1.12996900081635,,9.0,6.0
InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H,6.0,8.0,14.0,1.0,2.11999988555908,3.07999992370605,0.0,2.0,0.0,-0.192399993538857,0.0,6.29390001296997,0.0370177589356899,,8.0,6.0
InChI%3D1S%2FC6H5Cl2N%2Fc7-5-2-1-4%289%293-6%285%298%2Fh1-3H%2C9H2,6.0,9.0,14.0,0.0,1.78999996185303,1.95799994468689,0.0,0.0,1.0,0.738699972629547,0.0,15.4533004760742,0.545677661895752,,7.0,6.0
InChI%3D1S%2FC4H5N%2Fc1-2-3-4-5%2Fh2H%2C1%2C3H2,0.0,4.0,10.0,1.0,1.78999996185303,0.675999999046326,0.0,5.0,0.0,0.77700001001358,4.0,20.8950004577637,0.603729009628296,,2.0,0.0
InChI%3D1S%2FC5H10O%2Fc1-3-5%282%294-6%2Fh4-5H%2C3H2%2C1-2H3,0.0,5.0,16.0,2.0,1.89999997615814,1.44900000095367,0.0,6.0,0.0,-0.134299993515015,4.0,24.4582996368408,0.0180364903062582,,1.0,0.0
InChI%3D1S%2FC7H12O4%2Fc1-3-10-6%288%295-7%289%2911-4-2%2Fh3-5H2%2C1-2H3,0.0,10.0,23.0,6.0,1.78999996185303,1.18900001049042,0.0,11.0,0.0,0.558000028133392,3.0,37.1136016845703,0.311363995075226,,3.0,0.0
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3%2B,0.0,6.0,19.0,3.0,2.00999999046326,1.47300004959106,0.0,7.0,1.0,-0.505599975585938,6.0,29.3173007965088,0.255631357431412,,2.0,0.0
InChI%3D1S%2FC8H8O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-6H%2C1H3,6.0,9.0,17.0,1.0,2.23000001907349,2.93099999427795,0.0,3.0,0.0,-0.253899991512299,2.0,10.7704000473022,0.0644652098417282,,8.0,6.0
InChI%3D1S%2FC6H2F5N%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H2,6.0,12.0,14.0,0.0,1.46000003814697,1.56099998950958,0.0,0.0,1.0,1.64859998226166,0.0,8.5846004486084,2.71788191795349,,7.0,6.0
InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H,6.0,7.0,13.0,0.0,2.00999999046326,2.04399991035461,0.0,0.0,1.0,-0.460299998521805,0.0,2.56459999084473,0.211876094341278,,7.0,6.0
InChI%3D1S%2FC9H10O2%2Fc1-2-11-9-5-3-8%287-10%294-6-9%2Fh3-7H%2C2H2%2C1H3,6.0,11.0,21.0,3.0,2.23000001907349,2.42600011825562,0.0,3.0,0.0,0.00620000017806888,2.0,17.9034996032715,3.84400009352248e-05,,9.0,6.0
InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-1-2-5%287%2810%2911%296%289%293-4%2Fh1-3H%2C%28H2%2C10%2C11%29,6.0,11.0,16.0,1.0,1.78999996185303,2.63100004196167,0.0,2.0,2.0,1.40699994564056,0.0,19.7075996398926,1.97964894771576,,9.0,6.0
InChI%3D1S%2FC10H14N2.H2O4S%2Fc1-12-7-3-5-10%2812%299-4-2-6-11-8-9%3B1-5%282%2C3%294%2Fh2%2C4%2C6%2C8%2C10H%2C3%2C5%2C7H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29,6.0,17.0,33.0,1.0,1.78999996185303,-0.279000014066696,0.0,5.0,2.0,-1.1570999622345,0.0,35.7252006530762,1.33888041973114,,6.0,6.0
InChI%3D1S%2FC6H5NO3%2Fc8-6-3-1-5%282-4-6%297%289%2910%2Fh1-4%2C8H,6.0,10.0,15.0,1.0,1.67999994754791,1.72000002861023,0.0,2.0,1.0,-0.506900012493134,0.0,5.45039987564087,0.256947606801987,,10.0,6.0
InChI%3D1S%2FC14H26O4%2Fc1-3-5-11-17-13%2815%299-7-8-10-14%2816%2918-12-6-4-2%2Fh3-12H2%2C1-2H3,0.0,17.0,44.0,13.0,2.55999994277954,3.34800004959106,1.0,18.0,0.0,-1.71480000019073,6.0,60.3731994628906,2.94053912162781,,3.0,0.0
InChI%3D1S%2FC9H10O%2Fc1-2-5-8-6-3-4-7-9%288%2910%2Fh2-4%2C6-7%2C10H%2C1%2C5H2,6.0,10.0,20.0,2.0,2.33999991416931,2.92799997329712,0.0,3.0,1.0,0.568400025367737,3.0,17.4664001464844,0.323078572750092,,7.0,6.0
InChI%3D1S%2FC7H5BrO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H,6.0,10.0,15.0,1.0,1.89999997615814,2.34699988365173,0.0,2.0,1.0,0.236100003123283,0.0,17.4575996398926,0.0557432100176811,,9.0,6.0
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3-,0.0,6.0,19.0,3.0,2.00999999046326,1.47300004959106,0.0,7.0,1.0,-0.505599975585938,6.0,29.3173007965088,0.255631357431412,,2.0,0.0
InChI%3D1S%2FC2H2ClN%2Fc3-1-2-4%2Fh1H2,0.0,3.0,6.0,0.0,1.46000003814697,0.26800000667572,0.0,4.0,0.0,0.577199995517731,2.0,16.37619972229,0.3331598341465,,1.0,0.0
InChI%3D1S%2FC11H15NO3%2Fc1-8%282%2914-9-6-4-5-7-10%289%2915-11%2813%2912-3%2Fh4-8H%2C1-3H3%2C%28H%2C12%2C13%29,6.0,15.0,30.0,4.0,2.23000001907349,3.23600006103516,0.0,5.0,1.0,0.133300006389618,0.0,32.0586013793945,0.0177688896656036,,11.0,6.0
InChI%3D1S%2FC9H9N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh1-3H%2C7-9H2,0.0,9.0,19.0,3.0,2.33999991416931,0.866999983787537,0.0,10.0,0.0,2.34270000457764,3.0,40.3272018432617,5.48824310302734,,2.0,0.0
InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3,0.0,6.0,17.0,1.0,2.00999999046326,0.763000011444092,0.0,7.0,1.0,0.222499996423721,5.0,27.1746006011963,0.0495062507688999,,2.0,0.0
InChI%3D1S%2FC6H5ClN2O2%2Fc7-5-3-4%289%2810%2911%291-2-6%285%298%2Fh1-3H%2C8H2,6.0,11.0,16.0,1.0,1.57000005245209,1.74899995326996,0.0,3.0,1.0,-0.0522000007331371,0.0,12.72350025177,0.00272484007291496,,10.0,6.0
InChI%3D1S%2FC12H18N2O3.Na%2Fc1-4-6-8%283%2912%287-5-2%299%2815%2913-11%2817%2914-10%2812%2916%3B%2Fh5%2C8H%2C2%2C4%2C6-7H2%2C1%2C3H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29%3B%2Fq%3B%2B1%2Fp-1,0.0,17.0,35.0,5.0,2.11999988555908,3.2720000743866,0.0,5.0,1.0,,5.0,,,,8.0,0.0
InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-4-2-1-3-6%287%295-12%2Fh1-4H,6.0,12.0,16.0,1.0,1.89999997615814,3.6800000667572,0.0,3.0,0.0,1.1327999830246,0.0,12.6331996917725,1.28323578834534,,8.0,6.0
InChI%3D1S%2FC4H10O%2Fc1-3-4%282%295%2Fh4-5H%2C3H2%2C1-2H3,0.0,4.0,15.0,1.0,1.78999996185303,0.741999983787537,0.0,5.0,1.0,-0.696099996566772,4.0,20.6714992523193,0.484555214643478,,0.0,0.0
InChI%3D1S%2FC5H4N2O3%2Fc8-4-2-1-3-6-5%284%297%289%2910%2Fh1-3%2C8H,6.0,10.0,14.0,1.0,1.46000003814697,1.35899996757507,0.0,3.0,1.0,-0.506900012493134,0.0,5.45039987564087,0.256947606801987,,10.0,6.0
InChI%3D1S%2FC9H10O3%2Fc1-11-8-4-3-7%286-10%299%285-8%2912-2%2Fh3-6H%2C1-2H3,6.0,12.0,22.0,3.0,2.11999988555908,1.55900001525879,0.0,2.0,0.0,-0.296000003814697,0.0,20.925500869751,0.0876159965991974,,10.0,6.0
InChI%3D1S%2FC6H7N%2Fc1-6-4-2-3-5-7-6%2Fh2-5H%2C1H3,6.0,7.0,14.0,0.0,2.00999999046326,1.89699995517731,0.0,0.0,0.0,0.439500004053116,0.0,5.73250007629395,0.193160250782967,,6.0,6.0
InChI%3D1S%2FC7H5FO%2Fc8-7-4-2-1-3-6%287%295-9%2Fh1-5H,6.0,9.0,14.0,1.0,2.00999999046326,2.61700010299683,0.0,2.0,0.0,0.287299990653992,0.0,7.16639995574951,0.082541286945343,,8.0,6.0
InChI%3D1S%2FC7H4Br2O2%2Fc8-5-1-4%283-10%297%2811%296%289%292-5%2Fh1-3%2C11H,6.0,11.0,15.0,1.0,1.78999996185303,2.78099989891052,0.0,2.0,1.0,1.12489998340607,0.0,26.0566997528076,1.26540005207062,,9.0,6.0
InChI%3D1S%2FC13H22N.ClH%2Fc1-4-14%285-2%2C6-3%2912-13-10-8-7-9-11-13%3B%2Fh7-11H%2C4-6%2C12H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1,6.0,14.0,37.0,5.0,2.67000007629395,4.56099987030029,0.0,8.0,0.0,,2.0,,,,6.0,6.0
InChI%3D1S%2FC7H16O%2Fc1-2-3-4-5-6-7-8%2Fh8H%2C2-7H2%2C1H3,0.0,7.0,24.0,5.0,2.11999988555908,2.55800008773804,0.0,8.0,1.0,-1.83739995956421,7.0,27.7334995269775,3.37603878974915,,0.0,0.0
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,5.0,5.0,9.0,0.0,1.78999996185303,1.01800000667572,0.0,0.0,0.0,-0.154100000858307,0.0,1.61909997463226,0.0237468108534813,,5.0,5.0
InChI%3D1S%2FC5H8F4O%2Fc1-4%282%2C10%295%288%2C9%293%286%297%2Fh3%2C10H%2C1-2H3,0.0,9.0,18.0,2.0,1.46000003814697,2.16799998283386,0.0,10.0,1.0,1.22920000553131,4.0,26.5454998016357,1.5109326839447,,0.0,0.0
InChI%3D1S%2FC4H6Cl2%2Fc1-2-4%286%293-5%2Fh2%2C4H%2C1%2C3H2,0.0,5.0,12.0,2.0,1.67999994754791,2.02500009536743,0.0,6.0,0.0,2.15729999542236,4.0,29.4885005950928,4.65394306182861,,2.0,0.0
InChI%3D1S%2FC4H10O%2Fc1-3-5-4-2%2Fh3-4H2%2C1-2H3,0.0,4.0,15.0,2.0,1.78999996185303,0.86599999666214,0.0,5.0,0.0,0.55129998922348,2.0,21.6000995635986,0.303931683301926,,0.0,0.0
InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H,0.0,4.0,6.0,0.0,1.35000002384186,2.64199995994568,0.0,5.0,0.0,1.74279999732971,2.0,25.2621994018555,3.03735184669495,,2.0,0.0
InChI%3D1S%2FC5H10O%2Fc1-3-4-5%282%296%2Fh3-4H2%2C1-2H3,0.0,5.0,16.0,2.0,1.89999997615814,1.00699996948242,0.0,6.0,0.0,-0.455799996852875,5.0,24.1298999786377,0.207753643393517,,1.0,0.0
InChI%3D1S%2FC10H22O%2Fc1-3-5-7-9-11-10-8-6-4-2%2Fh3-10H2%2C1-2H3,0.0,10.0,33.0,8.0,2.45000004768372,3.85800004005432,0.0,11.0,0.0,-1.75629997253418,5.0,40.3105010986328,3.08458971977234,,0.0,0.0
InChI%3D1S%2FC7H12O%2Fc1-5-7%284%2C8%296%282%293%2Fh1%2C6%2C8H%2C2-4H3,0.0,7.0,20.0,1.0,2.11999988555908,1.05999994277954,0.0,8.0,1.0,1.0320999622345,5.0,32.6320991516113,1.06523036956787,,2.0,0.0
InChI%3D1S%2FC10H12N3O3PS2%2Fc1-15-17%2818%2C16-2%2919-7-13-10%2814%298-5-3-4-6-9%288%2911-12-13%2Fh3-6H%2C7H2%2C1-2H3,6.0,20.0,33.0,5.0,1.57000005245209,3.60999989509583,0.0,8.0,2.0,0.0930999964475632,0.0,55.1116981506348,0.00866760965436697,,11.0,6.0
InChI%3D1S%2FC11H16N2%2Fc1-2-4-11%285-3-1%2910-13-8-6-12-7-9-13%2Fh1-5%2C12H%2C6-10H2,6.0,14.0,29.0,2.0,2.45000004768372,2.375,0.0,0.0,1.0,-0.349200010299683,0.0,29.7590007781982,0.121940642595291,,6.0,6.0
InChI%3D1S%2FC10H18%2Fc1-3-5-7-9-10-8-6-4-2%2Fh3-4H%2C1-2%2C5-10H2,0.0,9.0,28.0,7.0,2.55999994277954,5.2979998588562,1.0,10.0,0.0,0.774200022220612,10.0,40.8443984985352,0.599385619163513,,2.0,0.0
InChI%3D1S%2FC6H13Br%2Fc1-2-3-4-5-6-7%2Fh2-6H2%2C1H3,0.0,6.0,20.0,4.0,2.00999999046326,3.80100011825562,0.0,7.0,0.0,-0.200299993157387,6.0,30.8563995361328,0.0401200912892818,,0.0,0.0
InChI%3D1S%2FC15H12O%2Fc1-2-15%2816%2C13-9-5-3-6-10-13%2914-11-7-4-8-12-14%2Fh1%2C3-12%2C16H,12.0,17.0,28.0,2.0,3.0,5.375,1.0,4.0,1.0,0.0197000000625849,3.0,12.631799697876,0.000388090003980324,,6.0,12.0
InChI%3D1S%2FC9H7N%2Fc1-2-6-9-8%284-1%295-3-7-10-9%2Fh1-7H,11.0,11.0,17.0,0.0,2.33999991416931,3.02800011634827,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,10.0,10.0
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3,0.0,16.0,44.0,12.0,2.23000001907349,3.35999989509583,1.0,17.0,0.0,-1.63800001144409,4.0,60.3110008239746,2.68304395675659,,5.0,0.0
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,6.0,13.0,19.0,2.0,1.57000005245209,2.68199992179871,0.0,3.0,0.0,0.548799991607666,0.0,11.273699760437,0.301181435585022,,12.0,6.0
InChI%3D1S%2FC4H8Cl2%2Fc5-3-1-2-4-6%2Fh1-4H2,0.0,5.0,14.0,3.0,1.67999994754791,2.45600008964539,0.0,6.0,0.0,0.935800015926361,4.0,26.4787998199463,0.875721633434296,,0.0,0.0
InChI%3D1S%2FC6H12O%2Fc1-5%287%296%282%2C3%294%2Fh1-4H3,0.0,6.0,19.0,1.0,2.00999999046326,0.931999981403351,0.0,7.0,0.0,1.30229997634888,4.0,29.8971996307373,1.69598531723022,,1.0,0.0
InChI%3D1S%2FC8H11N%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6H%2C2%2C9H2%2C1H3,6.0,9.0,20.0,1.0,2.23000001907349,2.86899995803833,0.0,2.0,1.0,-0.442999988794327,2.0,14.5726003646851,0.19624899327755,,7.0,6.0
InChI%3D1S%2FC4H6Cl2%2Fc1-4%282-5%293-6%2Fh1-3H2,0.0,5.0,12.0,2.0,1.67999994754791,1.47800004482269,0.0,6.0,0.0,2.02369999885559,3.0,29.5827007293701,4.09536170959473,,2.0,0.0
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh6H%2C2-5H2%2C1H3,0.0,6.0,19.0,4.0,2.00999999046326,2.29399991035461,0.0,7.0,0.0,-0.970300018787384,6.0,25.4766006469727,0.941482067108154,,1.0,0.0
InChI%3D1S%2FC6H12O%2Fc1-5%282%294-6%283%297%2Fh5H%2C4H2%2C1-3H3,0.0,6.0,19.0,2.0,2.00999999046326,1.51499998569489,0.0,7.0,0.0,0.353799998760223,5.0,29.5874004364014,0.125174432992935,,1.0,0.0
InChI%3D1S%2FC19H12O6%2Fc20-16-10-5-1-3-7-14%2810%2924-18%2822%2912%2816%299-13-17%2821%2911-6-2-4-8-15%2811%2925-19%2813%2923%2Fh1-8%2C20-21H%2C9H2,12.0,28.0,41.0,2.0,2.89000010490417,2.73000001907349,0.0,0.0,2.0,-1.43060004711151,0.0,36.617000579834,2.04661631584167,,9.0,12.0
InChI%3D1S%2FC9H10O3%2Fc1-2-12-9%2811%297-5-3-4-6-8%287%2910%2Fh3-6%2C10H%2C2H2%2C1H3,6.0,12.0,22.0,3.0,2.11999988555908,2.4539999961853,0.0,5.0,1.0,-0.198699995875359,2.0,18.8467998504639,0.0394816882908344,,10.0,6.0
InChI%3D1S%2FC8H10N4O2%2Fc1-10-4-9-6-5%2810%297%2813%2912%283%298%2814%2911%286%292%2Fh4H%2C1-3H3,5.0,15.0,24.0,0.0,1.67999994754791,-0.625,0.0,0.0,1.0,-0.431100010871887,0.0,34.872200012207,0.185847207903862,,6.0,0.0
InChI%3D1S%2FC3H2F6O%2Fc4-2%285%2C6%291%2810%293%287%2C8%299%2Fh1%2C10H,0.0,9.0,12.0,2.0,1.01999998092651,2.38800001144409,0.0,10.0,1.0,1.68550002574921,3.0,18.8316993713379,2.84091019630432,,0.0,0.0
InChI%3D1S%2FC9H10O3%2Fc1-2-12-9-5-7%286-10%293-4-8%289%2911%2Fh3-6%2C11H%2C2H2%2C1H3,6.0,12.0,22.0,3.0,2.11999988555908,1.46300005912781,0.0,3.0,1.0,-0.454100012779236,2.0,20.4680995941162,0.206206813454628,,10.0,6.0
InChI%3D1S%2FC6H6ClN%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C8H2,6.0,8.0,14.0,0.0,1.89999997615814,1.86199998855591,0.0,0.0,1.0,-0.00559999980032444,0.0,9.83769989013672,3.13599994115066e-05,,7.0,6.0
InChI%3D1S%2FC10H16%2Fc1-7-2-9-4-8%281%295-10%283-7%296-9%2Fh7-10H%2C1-6H2,0.0,12.0,26.0,0.0,2.55999994277954,4.76599979400635,0.0,0.0,0.0,-0.850000023841858,0.0,40.4035987854004,0.722500026226044,,0.0,0.0
InChI%3D1S%2FC9H11Cl3NO3PS%2Fc1-3-14-17%2818%2C15-4-2%2916-9-7%2811%295-6%2810%298%2812%2913-9%2Fh5H%2C3-4H2%2C1-2H3,6.0,18.0,29.0,6.0,1.46000003814697,4.21600008010864,0.0,9.0,0.0,3.52810001373291,2.0,56.3139991760254,12.4474897384644,,11.0,6.0
InChI%3D1S%2FC7H9NO%2Fc1-6%289%297-4-3-5-8%287%292%2Fh3-5H%2C1-2H3,5.0,9.0,18.0,1.0,2.00999999046326,0.950999975204468,0.0,3.0,0.0,-0.138400003314018,2.0,19.3651008605957,0.0191545598208904,,7.0,5.0
InChI%3D1S%2FC8H18S2%2Fc1-9-7-5-3-4-6-8-10-2%2Fh3-8H2%2C1-2H3,0.0,9.0,28.0,7.0,2.11999988555908,3.71399998664856,0.0,10.0,0.0,0.256999999284744,6.0,48.0512008666992,0.0660490021109581,,0.0,0.0
InChI%3D1S%2FC6H4Br2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H,6.0,8.0,12.0,0.0,1.89999997615814,3.66400003433228,0.0,0.0,0.0,1.77760004997253,0.0,17.1982002258301,3.15986180305481,,6.0,6.0
InChI%3D1S%2FC4H9Br%2Fc1-2-3-4-5%2Fh2-4H2%2C1H3,0.0,4.0,14.0,2.0,1.78999996185303,2.66300010681152,0.0,5.0,0.0,0.375699996948242,4.0,25.0331993103027,0.141150489449501,,0.0,0.0
InChI%3D1S%2FC7H7NO2%2Fc1-6-3-2-4-7%285-6%298%289%2910%2Fh2-5H%2C1H3,6.0,10.0,17.0,1.0,1.89999997615814,3.21700000762939,0.0,2.0,0.0,0.595399975776672,0.0,8.38790035247803,0.354501157999039,,9.0,6.0
InChI%3D1S%2FC6H3Cl4N%2Fc7-2-1-3%288%295%2810%296%2811%294%282%299%2Fh1H%2C11H2,6.0,11.0,14.0,0.0,1.57000005245209,2.15000009536743,0.0,0.0,1.0,2.22729992866516,0.0,26.6844997406006,4.96086549758911,,7.0,6.0
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-3-6%288%295-7%2Fh2-5%2C8H%2C1H3,6.0,9.0,17.0,1.0,2.00999999046326,1.38900005817413,0.0,2.0,1.0,-0.512099981307983,0.0,9.88039970397949,0.262246400117874,,8.0,6.0
InChI%3D1S%2FC3H9NO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2%2C4H2%2C1H3,0.0,4.0,14.0,1.0,1.57000005245209,-0.814999997615814,0.0,5.0,2.0,-1.19770002365112,3.0,20.7954998016357,1.43448531627655,,0.0,0.0
InChI%3D1S%2FCHI3%2Fc2-1%283%294%2Fh1H,0.0,3.0,5.0,0.0,1.24000000953674,3.68799996376038,0.0,4.0,0.0,0.718400001525879,0.0,45.6068992614746,0.51609855890274,,0.0,0.0
InChI%3D1S%2FC6H14O%2Fc1-5%282%297-6%283%294%2Fh5-6H%2C1-4H3,0.0,6.0,21.0,2.0,2.00999999046326,1.78600001335144,0.0,7.0,0.0,-0.0496999993920326,3.0,32.0097007751465,0.00247009005397558,,0.0,0.0
InChI%3D1S%2FC6H12O2%2Fc1-3-4-5-8-6%282%297%2Fh3-5H2%2C1-2H3,0.0,7.0,20.0,4.0,1.89999997615814,1.59099996089935,0.0,8.0,0.0,-0.594299972057343,4.0,28.1501998901367,0.35319247841835,,3.0,0.0
InChI%3D1S%2FC3H6O3%2Fc1-4-2-6-3-5-1%2Fh1-3H2,0.0,6.0,12.0,0.0,1.46000003814697,-0.158999994397163,0.0,0.0,0.0,-0.445800006389618,0.0,17.5590000152588,0.198737636208534,,0.0,0.0
InChI%3D1S%2FC10H18O2%2Fc1-2-3-4-5-6-9-7-8-10%2811%2912-9%2Fh9H%2C2-8H2%2C1H3,0.0,12.0,30.0,5.0,2.33999991416931,3.31299996376038,0.0,6.0,0.0,-1.78340005874634,6.0,37.6071014404297,3.18051552772522,,3.0,0.0
InChI%3D1S%2FC12H19NO%2Fc1-2-3-4-5-10-14-12-8-6-11%2813%297-9-12%2Fh6-9H%2C2-5%2C10%2C13H2%2C1H3,6.0,14.0,33.0,6.0,2.55999994277954,3.80999994277954,0.0,7.0,1.0,-1.99310004711151,6.0,28.0984992980957,3.97244763374329,,8.0,6.0
InChI%3D1S%2FC6H9NO%2Fc1-4-5%282%298-6%283%297-4%2Fh1-3H3,5.0,8.0,17.0,0.0,1.89999997615814,1.61300003528595,0.0,0.0,1.0,0.776199996471405,0.0,18.9827995300293,0.602486431598663,,0.0,0.0
InChI%3D1S%2FC18H15OP%2Fc19-20%2816-10-4-1-5-11-16%2C17-12-6-2-7-13-17%2918-14-8-3-9-15-18%2Fh1-15H,18.0,22.0,35.0,3.0,3.22000002861023,6.92700004577637,1.0,2.0,0.0,-0.959200024604797,0.0,6.97349977493286,0.920064628124237,,20.0,18.0
InChI%3D1S%2FC9H11NO2%2Fc1-2-12-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3,6.0,12.0,23.0,3.0,2.11999988555908,1.74699997901917,0.0,5.0,1.0,-0.488299995660782,2.0,20.5042991638184,0.23843689262867,,10.0,6.0
InChI%3D1S%2FC8H10O2%2Fc9-6-7-10-8-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2,6.0,10.0,20.0,3.0,2.11999988555908,1.85399997234344,0.0,4.0,1.0,-0.591199994087219,2.0,13.608099937439,0.349517434835434,,7.0,6.0
InChI%3D1S%2FC2H3Cl3%2Fc3-1-2%284%295%2Fh2H%2C1H2,0.0,4.0,8.0,1.0,1.35000002384186,2.15799999237061,0.0,5.0,0.0,1.95550000667572,2.0,25.7096996307373,3.8239803314209,,0.0,0.0
InChI%3D1S%2FC8H12O%2Fc1-2-8%289%296-4-3-5-7-8%2Fh1%2C9H%2C3-7H2,0.0,9.0,21.0,0.0,2.23000001907349,1.35000002384186,0.0,2.0,1.0,-0.333099991083145,2.0,30.2702007293701,0.110955610871315,,2.0,0.0
InChI%3D1S%2FC10H15NO2%2Fc12-8-6-11%287-9-13%2910-4-2-1-3-5-10%2Fh1-5%2C12-13H%2C6-9H2,6.0,13.0,28.0,5.0,2.23000001907349,1.18799996376038,0.0,7.0,2.0,-0.861000001430511,2.0,26.8759994506836,0.7413210272789,,7.0,6.0
InChI%3D1S%2FC10H14%2Fc1-3-9-6-5-7-10%284-2%298-9%2Fh5-8H%2C3-4H2%2C1-2H3,6.0,10.0,24.0,2.0,2.55999994277954,5.84600019454956,1.0,2.0,0.0,0.61379998922348,2.0,20.701000213623,0.376750439405441,,6.0,6.0
InChI%3D1S%2FC12H10N2O%2Fc15-12-8-6-11%287-9-12%2914-13-10-4-2-1-3-5-10%2Fh1-9%2C15H%2Fb14-13-,12.0,16.0,25.0,2.0,2.45000004768372,4.92600011825562,0.0,2.0,1.0,-0.460299998521805,0.0,2.56459999084473,0.211876094341278,,15.0,12.0
InChI%3D1S%2FC7H4Cl2O%2Fc8-6-2-1-5%284-10%297%289%293-6%2Fh1-4H,6.0,10.0,14.0,1.0,1.89999997615814,2.63899993896484,0.0,2.0,0.0,1.29620003700256,0.0,17.5251007080078,1.68013441562653,,8.0,6.0
InChI%3D1S%2FC5H12ClN.ClH%2Fc1-7%282%295-3-4-6%3B%2Fh3-5H2%2C1-2H3%3B1H,0.0,6.0,21.0,3.0,1.67999994754791,1.69799995422363,0.0,7.0,0.0,0.697300016880035,3.0,32.2430000305176,0.486227303743362,,0.0,0.0
InChI%3D1S%2FC11H13NO%2Fc1-12%282%2911-7-5-10%286-8-11%294-3-9-13%2Fh3-9H%2C1-2H3%2Fb4-3-,6.0,13.0,26.0,3.0,2.45000004768372,2.52900004386902,0.0,4.0,0.0,0.386500000953674,3.0,30.828800201416,0.149382248520851,,11.0,6.0
InChI%3D1S%2FC11H17O4PS2%2Fc1-4-13-16%2817%2C14-5-2%2915-10-6-8-11%289-7-10%2918%283%2912%2Fh6-9H%2C4-5H2%2C1-3H3,6.0,18.0,35.0,7.0,1.89999997615814,2.77699995040894,0.0,9.0,0.0,1.08689999580383,2.0,53.8424987792969,1.18135166168213,,13.0,6.0
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-4-2-3-5-8%287%2911%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,6.0,11.0,20.0,1.0,2.00999999046326,1.66600000858307,0.0,4.0,2.0,-0.532000005245209,2.0,16.4654006958008,0.28302401304245,,10.0,6.0
InChI%3D1S%2FC11H18N2O2S.Na%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%3B%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29%3B%2Fq%3B%2B1%2Fp-1,0.0,16.0,34.0,4.0,2.00999999046326,2.61400008201599,0.0,5.0,1.0,,5.0,,,,8.0,0.0
InChI%3D1S%2FC9H10Cl2N2O%2Fc1-13%282%299%2814%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C1-2H3%2C%28H%2C12%2C14%29,6.0,14.0,24.0,2.0,1.89999997615814,3.28600001335144,0.0,6.0,1.0,1.61870002746582,0.0,33.6021003723145,2.62018966674805,,10.0,6.0
InChI%3D1S%2FC7H14O%2Fc1-3-4-5-6-7%282%298%2Fh3-6H2%2C1-2H3,0.0,7.0,22.0,4.0,2.11999988555908,2.14499998092651,0.0,8.0,0.0,-1.03180003166199,7.0,29.9531002044678,1.06461119651794,,1.0,0.0
InChI%3D1S%2FC10H12O%2Fc1-8%282%2910-5-3-9%287-11%294-6-10%2Fh3-8H%2C1-2H3,6.0,11.0,23.0,2.0,2.45000004768372,4.48000001907349,0.0,2.0,0.0,0.380499988794327,0.0,20.5617008209229,0.144780248403549,,8.0,6.0
InChI%3D1S%2FC6H4FNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H,6.0,10.0,14.0,1.0,1.67999994754791,2.64199995994568,0.0,2.0,0.0,0.433099985122681,0.0,3.75830006599426,0.187575608491898,,9.0,6.0
InChI%3D1S%2FC4Cl6%2Fc5-1%283%287%298%292%286%294%289%2910,0.0,9.0,10.0,1.0,1.24000000953674,4.4520001411438,0.0,10.0,0.0,3.6340000629425,4.0,50.6963996887207,13.2059564590454,,4.0,0.0
InChI%3D1S%2FC8H19O2PS3%2Fc1-4-9-11%2812%2C10-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3,0.0,13.0,33.0,9.0,1.67999994754791,4.16699981689453,0.0,14.0,0.0,3.03049993515015,2.0,72.6323013305664,9.18393039703369,,4.0,0.0
InChI%3D1S%2FC10H18O%2Fc1-9%282%298-4-6-10%283%2C11-9%297-5-8%2Fh8H%2C4-7H2%2C1-3H3,0.0,12.0,29.0,0.0,2.45000004768372,2.59500002861023,0.0,0.0,0.0,1.31089997291565,0.0,44.032600402832,1.71845877170563,,0.0,0.0
InChI%3D1S%2FC13H11NO%2Fc15-11-14%2812-7-3-1-4-8-12%2913-9-5-2-6-10-13%2Fh1-11H,12.0,16.0,26.0,3.0,2.67000007629395,4.7020001411438,0.0,3.0,0.0,-0.703700006008148,0.0,8.79389953613281,0.495193690061569,,15.0,12.0
InChI%3D1S%2FC7H5NO3S.Na.O%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%3B%3B%2Fh1-4H%2C%28H%2C8%2C9%29%3B%3B%2Fq%3B%2B1%3B%2Fp-1,6.0,13.0,20.0,0.0,1.46000003814697,,,0.0,1.0,,0.0,,,,12.0,6.0
InChI%3D1S%2FC12H27N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-13H2%2C1H3,0.0,12.0,40.0,10.0,2.67000007629395,5.33599996566772,1.0,13.0,1.0,-3.56699991226196,12.0,43.9490013122559,12.7234888076782,,0.0,0.0
InChI%3D1S%2FC20H30O2%2Fc1-13%282%2914-6-8-16-15%2812-14%297-9-17-19%2816%2C3%2910-5-11-20%2817%2C4%2918%2821%2922%2Fh7%2C12-13%2C16-17H%2C5-6%2C8-11H2%2C1-4H3%2C%28H%2C21%2C22%29%2Ft16-%2C17%2B%2C19%2B%2C20%2B%2Fm0%2Fs1,0.0,24.0,52.0,2.0,3.44000005722046,6.11299991607666,1.0,3.0,1.0,1.37730002403259,3.0,90.3136978149414,1.89695525169373,,4.0,0.0
InChI%3D1S%2FC8H11N%2Fc1-3-8-5-4-7%282%299-6-8%2Fh4-6H%2C3H2%2C1-2H3,6.0,9.0,20.0,1.0,2.23000001907349,2.57800006866455,0.0,2.0,0.0,0.746399998664856,2.0,16.0830001831055,0.5571129322052,,6.0,6.0
InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3,0.0,3.0,12.0,0.0,1.46000003814697,-1.38499999046326,0.0,4.0,1.0,-0.377700001001358,0.0,19.5755004882812,0.142657294869423,,2.0,0.0
InChI%3D1S%2FC9H16O%2Fc1-5-9%284%2C10%297-6-8%282%293%2Fh1%2C8%2C10H%2C6-7H2%2C2-4H3,0.0,9.0,26.0,3.0,2.33999991416931,2.40899991989136,0.0,10.0,1.0,1.54330003261566,7.0,41.535701751709,2.38177490234375,,2.0,0.0
InChI%3D1S%2FC8H10%2Fc1-7-5-3-4-6-8%287%292%2Fh3-6H%2C1-2H3,6.0,8.0,18.0,0.0,2.33999991416931,4.70800018310547,0.0,0.0,0.0,1.28400003910065,0.0,11.0041999816895,1.64865601062775,,6.0,6.0
InChI%3D1S%2FC12H10OS%2Fc13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,12.0,15.0,24.0,2.0,2.55999994277954,3.40799999237061,0.0,2.0,0.0,-0.521200001239777,0.0,9.16520023345947,0.271649450063705,,14.0,12.0
InChI%3D1S%2FC9H11NO%2Fc1-10%282%299-5-3-8%287-11%294-6-9%2Fh3-7H%2C1-2H3,6.0,11.0,22.0,2.0,2.23000001907349,2.0460000038147,0.0,2.0,0.0,0.0253999996930361,0.0,20.5853004455566,0.000645159976556897,,9.0,6.0
InChI%3D1S%2FC12H8O%2Fc1-3-7-11-9%285-1%2910-6-2-4-8-12%2810%2913-11%2Fh1-8H,15.0,15.0,21.0,0.0,2.67000007629395,4.27400016784668,0.0,0.0,0.0,-0.154100000858307,0.0,1.61909997463226,0.0237468108534813,,13.0,12.0
InChI%3D1S%2FC4H12N.ClH%2Fc1-5%282%2C3%294%3B%2Fh1-4H3%3B1H%2Fq%2B1%3B%2Fp-1,0.0,4.0,18.0,0.0,1.67999994754791,0.38400000333786,0.0,5.0,0.0,,0.0,,,,0.0,0.0
InChI%3D1S%2FC10H24N4%2Fc11-3-1-5-13-7-9-14%2810-8-13%296-2-4-12%2Fh1-12H2,0.0,14.0,38.0,6.0,2.11999988555908,-1.12999999523163,0.0,4.0,2.0,-1.95659995079041,3.0,57.7610015869141,3.8282835483551,,0.0,0.0
InChI%3D1S%2FC11H18N2O3.Na%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%3B%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29%3B%2Fq%3B%2B1%2Fp-1,0.0,16.0,34.0,4.0,2.00999999046326,3.06900000572205,0.0,5.0,1.0,,5.0,,,,8.0,0.0
InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3H%2C%28H2%2C10%2C11%29,6.0,11.0,16.0,1.0,1.78999996185303,2.63100004196167,0.0,3.0,2.0,1.40699994564056,0.0,19.7075996398926,1.97964894771576,,9.0,6.0
InChI%3D1S%2FC6H2Cl2N2O4%2Fc7-3-1-4%288%296%2810%2813%2914%292-5%283%299%2811%2912%2Fh1-2H,6.0,14.0,16.0,2.0,1.24000000953674,2.76200008392334,0.0,3.0,0.0,1.39540004730225,0.0,17.002799987793,1.94714117050171,,12.0,6.0
InChI%3D1S%2FC6H5NO%2Fc8-5-6-2-1-3-7-4-6%2Fh1-5H,6.0,8.0,13.0,1.0,1.89999997615814,1.05099999904633,0.0,2.0,0.0,-0.192399993538857,0.0,6.29390001296997,0.0370177589356899,,8.0,6.0
InChI%3D1S%2FC12H9NO3%2Fc14-13%2815%2910-6-8-12%289-7-10%2916-11-4-2-1-3-5-11%2Fh1-9H,12.0,17.0,25.0,3.0,2.33999991416931,4.78200006484985,0.0,3.0,0.0,-0.200699999928474,0.0,4.5048999786377,0.0402804911136627,,16.0,12.0
InChI%3D1S%2FC12H10O%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10H,12.0,14.0,23.0,2.0,2.67000007629395,5.10599994659424,1.0,0.0,0.0,-0.154100000858307,0.0,1.61909997463226,0.0237468108534813,,13.0,12.0
InChI%3D1S%2FC18H30O%2Fc1-16%282%2C3%2912-10-13%2817%284%2C5%296%2915%2819%2914%2811-12%2918%287%2C8%299%2Fh10-11%2C19H%2C1-9H3,6.0,19.0,49.0,3.0,3.32999992370605,7.6399998664856,1.0,3.0,1.0,4.20830011367798,0.0,59.9449996948242,17.709789276123,,7.0,6.0
InChI%3D1S%2FC6H14%2Fc1-3-5-6-4-2%2Fh3-6H2%2C1-2H3,0.0,5.0,20.0,3.0,2.11999988555908,3.75399994850159,0.0,6.0,0.0,-1.04939997196198,6.0,23.4437999725342,1.10124039649963,,0.0,0.0
InChI%3D1S%2FC12H14O4%2Fc1-3-15-11%2813%299-7-5-6-8-10%289%2912%2814%2916-4-2%2Fh5-8H%2C3-4H2%2C1-2H3,6.0,16.0,30.0,6.0,2.33999991416931,3.1800000667572,0.0,5.0,0.0,0.52319997549057,2.0,32.5643997192383,0.273738235235214,,12.0,6.0
InChI%3D1S%2FC7H14N2O2S%2Fc1-7%282%2C12-4%295-9-11-6%2810%298-3%2Fh5H%2C1-4H3%2C%28H%2C8%2C10%29,0.0,11.0,26.0,4.0,1.67999994754791,2.26799988746643,0.0,12.0,1.0,1.48800003528595,3.0,50.0533981323242,2.21414399147034,,6.0,0.0
InChI%3D1S%2FC9H12O2%2Fc1-7-8%2810-2%295-4-6-9%287%2911-3%2Fh4-6H%2C1-3H3,6.0,11.0,23.0,2.0,2.23000001907349,2.01999998092651,0.0,2.0,0.0,0.538399994373322,0.0,20.1336994171143,0.28987455368042,,8.0,6.0
InChI%3D1S%2FC4H8O2%2Fc1-3-6-4%282%295%2Fh3H2%2C1-2H3,0.0,5.0,14.0,2.0,1.67999994754791,0.663999974727631,0.0,6.0,2.0,0.271499991416931,2.0,21.706600189209,0.0737122520804405,,3.0,0.0
InChI%3D1S%2FC6H7N%2Fc1-6-2-4-7-5-3-6%2Fh2-5H%2C1H3,6.0,7.0,14.0,0.0,2.00999999046326,1.72300004959106,0.0,0.0,0.0,0.642000019550323,0.0,5.50209999084473,0.412164002656937,,6.0,6.0
InChI%3D1S%2FC6H5ClO%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4%2C8H,6.0,8.0,13.0,0.0,1.89999997615814,1.92900002002716,0.0,0.0,1.0,0.284000009298325,0.0,8.18019962310791,0.080655999481678,,7.0,6.0
InChI%3D1S%2FC5H8O%2Fc1-4-5%282%2C3%296%2Fh1%2C6H%2C2-3H3,0.0,5.0,14.0,0.0,1.89999997615814,0.405000001192093,0.0,6.0,1.0,0.898699998855591,4.0,24.0967998504639,0.807661712169647,,2.0,0.0
InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H,12.0,14.0,24.0,2.0,2.67000007629395,4.90999984741211,0.0,0.0,1.0,-0.420399993658066,0.0,3.29999995231628,0.176736161112785,,13.0,12.0
InChI%3D1S%2FC5H13N%2Fc1-5%282%2C3%294-6%2Fh4%2C6H2%2C1-3H3,0.0,5.0,19.0,1.0,1.89999997615814,0.907000005245209,0.0,6.0,1.0,0.817900002002716,3.0,28.0611000061035,0.668960392475128,,0.0,0.0
InChI%3D1S%2FC7H6O3.Na%2Fc8-6-4-2-1-3-5%286%297%289%2910%3B%2Fh1-4%2C8H%2C%28H%2C9%2C10%29%3B%2Fq%3B%2B1%2Fp-1,6.0,10.0,16.0,1.0,1.78999996185303,1.71000003814697,0.0,3.0,1.0,,0.0,,,,10.0,6.0
InChI%3D1S%2FC9H14N.CH4O4S%2Fc1-10%282%2C3%299-7-5-4-6-8-9%3B1-5-6%282%2C3%294%2Fh4-8H%2C1-3H3%3B1H3%2C%28H%2C2%2C3%2C4%29%2Fq%2B1%3B%2Fp-1,6.0,15.0,33.0,2.0,1.89999997615814,0.619000017642975,0.0,6.0,0.0,-2.22160005569458,0.0,32.7785987854004,4.93550634384155,,7.0,6.0
InChI%3D1S%2FC8H6Cl2O%2Fc1-5%2811%297-3-2-6%289%294-8%287%2910%2Fh2-4H%2C1H3,6.0,11.0,17.0,1.0,2.00999999046326,2.49000000953674,0.0,2.0,0.0,1.23469996452332,0.0,22.0016002655029,1.52448403835297,,8.0,6.0
InChI%3D1S%2FC9H12O%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5%2C10H%2C1-3H3,6.0,10.0,22.0,0.0,2.33999991416931,2.59100008010864,0.0,0.0,1.0,1.46570003032684,0.0,19.0708999633789,2.14827656745911,,7.0,6.0
InChI%3D1S%2FC7H7NO%2Fc1-6%289%297-2-4-8-5-3-7%2Fh2-5H%2C1H3,6.0,9.0,16.0,1.0,2.00999999046326,0.90200001001358,0.0,3.0,0.0,-0.253899991512299,2.0,10.7704000473022,0.0644652098417282,,8.0,6.0
InChI%3D1S%2FC9H9Cl2NO%2Fc1-2-9%2813%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C2H2%2C1H3%2C%28H%2C12%2C13%29,6.0,13.0,22.0,2.0,2.00999999046326,3.07399988174438,0.0,5.0,1.0,1.49310004711151,3.0,30.1555004119873,2.22934770584106,,9.0,6.0
InChI%3D1S%2FC10H21N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3,0.0,11.0,32.0,3.0,2.45000004768372,2.73699998855591,0.0,5.0,0.0,-0.771799981594086,2.0,40.8348999023438,0.595675230026245,,0.0,0.0
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,6.0,12.0,13.0,0.0,1.46000003814697,2.31299996376038,0.0,0.0,1.0,3.26119995117188,0.0,30.642599105835,10.635425567627,,7.0,6.0
InChI%3D1S%2FC10H15N%2Fc1-2-3-4-9-5-7-10%2811%298-6-9%2Fh5-8H%2C2-4%2C11H2%2C1H3,6.0,11.0,26.0,3.0,2.45000004768372,4.00699996948242,0.0,4.0,1.0,-1.21220004558563,4.0,20.8094005584717,1.46942889690399,,7.0,6.0
InChI%3D1S%2FC6H15NO3%2Fc8-4-1-7%282-5-9%293-6-10%2Fh8-10H%2C1-6H2,0.0,9.0,25.0,6.0,1.67999994754791,-2.06399989128113,0.0,10.0,3.0,-1.29809999465942,2.0,38.8650016784668,1.68506360054016,,0.0,0.0
InChI%3D1S%2FC6H12N4%2Fc1-7-2-9-4-8%281%295-10%283-7%296-9%2Fh1-6H2,0.0,12.0,22.0,0.0,1.67999994754791,-0.186000004410744,0.0,0.0,0.0,0.0857999995350838,0.0,36.9953994750977,0.00736164022237062,,0.0,0.0
InChI%3D1S%2FC8H8ClNO%2Fc1-6-7%289%293-2-4-8%286%2910-5-11%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%29,6.0,11.0,19.0,1.0,2.00999999046326,2.6010000705719,0.0,3.0,1.0,1.23580002784729,0.0,20.9465007781982,1.52720165252686,,9.0,6.0
InChI%3D1S%2FC6H14O3%2Fc1-2-8-5-6-9-4-3-7%2Fh7H%2C2-6H2%2C1H3,0.0,8.0,23.0,6.0,1.78999996185303,-0.456000000238419,0.0,9.0,1.0,-0.36939999461174,2.0,34.6421012878418,0.136456355452538,,0.0,0.0
InChI%3D1S%2FC10H12O4%2Fc1-12-8-5-10%2814-3%299%2813-2%294-7%288%296-11%2Fh4-6H%2C1-3H3,6.0,14.0,26.0,4.0,2.11999988555908,1.11500000953674,0.0,2.0,0.0,-0.347799986600876,0.0,28.2413005828857,0.120964840054512,,11.0,6.0
InChI%3D1S%2FC11H25N%2Fc1-2-3-4-5-6-7-8-9-10-11-12%2Fh2-12H2%2C1H3,0.0,11.0,37.0,9.0,2.55999994277954,4.76700019836426,0.0,12.0,1.0,-3.27900004386902,11.0,41.0373992919922,10.7518405914307,,0.0,0.0
InChI%3D1S%2FC3H2N2%2Fc4-2-1-3-5%2Fh1H2,0.0,4.0,7.0,0.0,1.57000005245209,-0.657000005245209,0.0,5.0,0.0,0.10419999808073,3.0,16.9463996887207,0.0108576398342848,,2.0,0.0
InChI%3D1S%2FC8H19O3PS2%2Fc1-4-10-12%289%2C11-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3,0.0,13.0,33.0,9.0,1.67999994754791,2.21600008010864,0.0,14.0,0.0,2.1314001083374,2.0,64.6414031982422,4.54286575317383,,4.0,0.0
InChI%3D1S%2FC20H14O4%2Fc21-19%2823-15-9-3-1-4-10-15%2917-13-7-8-14-18%2817%2920%2822%2924-16-11-5-2-6-12-16%2Fh1-14H,18.0,26.0,38.0,6.0,3.22000002861023,7.42000007629395,1.0,3.0,0.0,-0.182199999690056,0.0,12.583399772644,0.0331968404352665,,24.0,18.0
InChI%3D1S%2FC7H15NO%2Fc1-6%287%282%299%295-8%283%294%2Fh6H%2C5H2%2C1-4H3,0.0,8.0,24.0,3.0,2.00999999046326,0.160999998450279,0.0,9.0,0.0,0.270300000905991,4.0,39.128101348877,0.0730620920658112,,1.0,0.0
InChI%3D1S%2FC8H8O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-4H%2C5-6H2,6.0,10.0,17.0,0.0,2.23000001907349,2.40000009536743,0.0,0.0,0.0,0.113099999725819,0.0,10.7831001281738,0.0127916103228927,,7.0,6.0
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,0.0,5.0,11.0,2.0,1.46000003814697,2.37899994850159,0.0,6.0,0.0,2.2056999206543,3.0,29.6690998077393,4.8651123046875,,0.0,0.0
InChI%3D1S%2FC7H9N%2Fc1-8-7-5-3-2-4-6-7%2Fh2-6%2C8H%2C1H3,6.0,8.0,17.0,1.0,2.11999988555908,2.36700010299683,0.0,2.0,1.0,-0.31810000538826,0.0,8.99670028686523,0.101187609136105,,7.0,6.0
InChI%3D1S%2FC10H12N2O5%2Fc1-3-6%282%298-4-7%2811%2814%2915%295-9%2810%288%2913%2912%2816%2917%2Fh4-6%2C13H%2C3H2%2C1-2H3,6.0,17.0,29.0,4.0,1.78999996185303,4.22300004959106,0.0,4.0,1.0,-0.656799972057343,4.0,25.6818008422852,0.431386232376099,,13.0,6.0
InChI%3D1S%2FC6H12O2%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H%2C7%2C8%29,0.0,7.0,20.0,4.0,1.89999997615814,1.87999999523163,0.0,8.0,1.0,-1.01769995689392,6.0,26.4020004272461,1.03571331501007,,3.0,0.0
InChI%3D1S%2FC6H12O%2Fc1-3-4-6%282%295-7%2Fh5-6H%2C3-4H2%2C1-2H3,0.0,6.0,19.0,3.0,2.00999999046326,2.01799988746643,0.0,7.0,0.0,0.121299996972084,5.0,28.9101009368896,0.0147136896848679,,1.0,0.0
InChI%3D1S%2F2C21H22N2O2.H2O4S%2Fc2%2A24-18-10-16-19-13-9-17-21%286-7-22%2817%2911-12%2813%295-8-25-16%2914-3-1-2-4-15%2814%2923%2818%2920%2819%2921%3B1-5%282%2C3%294%2Fh2%2A1-5%2C13%2C16-17%2C19-20H%2C6-11H2%3B%28H2%2C1%2C2%2C3%2C4%29%2Ft2%2A13-%2C16-%2C17-%2C19%3F%2C20-%2C21%2B%3B%2Fm00.%2Fs1,12.0,66.0,101.0,0.0,4.65000009536743,1.69799995422363,1.0,5.0,2.0,-2.2260000705719,0.0,148.869995117188,4.95507621765137,,9.0,12.0
InChI%3D1S%2FC6H4N2O5%2Fc9-6-4%287%2810%2911%292-1-3-5%286%298%2812%2913%2Fh1-3%2C9H,6.0,13.0,17.0,2.0,1.35000002384186,3.32299995422363,0.0,3.0,1.0,-0.55349999666214,0.0,8.33619976043701,0.306362241506577,,13.0,6.0
InChI%3D1S%2FC8H7ClO2%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5H%2C1H3,6.0,11.0,18.0,2.0,2.00999999046326,2.45000004768372,0.0,4.0,0.0,0.755500018596649,0.0,17.6040000915527,0.570780277252197,,9.0,6.0
InChI%3D1S%2FC6HBr5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,6.0,12.0,13.0,0.0,1.46000003814697,4.00299978256226,0.0,0.0,1.0,3.98370003700256,0.0,45.5601005554199,15.8698654174805,,7.0,6.0
InChI%3D1S%2FC9H14O3%2Fc1-7%282%299%2810%2912-6-8-4-3-5-11-8%2Fh8H%2C1%2C3-6H2%2C2H3,0.0,12.0,26.0,4.0,2.11999988555908,1.06700003147125,0.0,7.0,0.0,0.305500000715256,3.0,40.9855003356934,0.0933302491903305,,5.0,0.0
InChI%3D1S%2FC7H14O%2Fc1-6%282%294-5-7%283%298%2Fh6H%2C4-5H2%2C1-3H3,0.0,7.0,22.0,3.0,2.11999988555908,2.08400011062622,0.0,8.0,0.0,0.609399974346161,6.0,34.0391998291016,0.37136834859848,,1.0,0.0
InChI%3D1S%2FC2H3Cl3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2,0.0,5.0,9.0,1.0,1.24000000953674,1.33700001239777,0.0,6.0,1.0,1.23950004577637,2.0,28.215799331665,1.53636026382446,,0.0,0.0
InChI%3D1S%2FC10H8O%2Fc11-10-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7%2C11H,11.0,12.0,19.0,0.0,2.45000004768372,3.70900011062622,0.0,0.0,1.0,-0.460299998521805,0.0,2.56459999084473,0.211876094341278,,11.0,10.0
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%29,11.0,16.0,26.0,2.0,2.45000004768372,4.6729998588562,0.0,5.0,1.0,0.235200002789497,0.0,15.2441997528076,0.0553190410137177,,14.0,10.0
InChI%3D1S%2FC4H5N%2Fc1-2-4-5-3-1%2Fh1-5H,5.0,5.0,9.0,0.0,1.78999996185303,0.934000015258789,0.0,0.0,1.0,0.0,0.0,0.0,0.0,,0.0,0.0
InChI%3D1S%2FC9H13N%2Fc1-10%282%298-9-6-4-3-5-7-9%2Fh3-7H%2C8H2%2C1-2H3,6.0,10.0,23.0,2.0,2.33999991416931,2.97099995613098,0.0,4.0,0.0,0.229399994015694,0.0,19.0035991668701,0.0526243597269058,,6.0,6.0
InChI%3D1S%2FC14H23N%2Fc1-2-3-4-5-6-7-8-13-9-11-14%2815%2912-10-13%2Fh9-12H%2C2-8%2C15H2%2C1H3,6.0,15.0,38.0,7.0,2.89000010490417,6.28299999237061,1.0,8.0,1.0,-2.36420011520386,8.0,32.4557991027832,5.58944177627563,,7.0,6.0
InChI%3D1S%2FC3H7ClO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2H2%2C1H3,0.0,4.0,12.0,1.0,1.57000005245209,0.726000010967255,0.0,5.0,1.0,0.296499997377396,3.0,22.1889991760254,0.0879122465848923,,0.0,0.0
InChI%3D1S%2FC7H8ClN%2Fc1-5-2-3-7%289%296%288%294-5%2Fh2-4H%2C9H2%2C1H3,6.0,9.0,17.0,0.0,2.00999999046326,2.18499994277954,0.0,0.0,1.0,0.636399984359741,0.0,15.3397998809814,0.405004948377609,,7.0,6.0
InChI%3D1S%2FC7H10N2%2Fc1-9%282%297-5-3-4-6-8-7%2Fh3-6H%2C1-2H3,6.0,9.0,19.0,1.0,2.00999999046326,1.49899995326996,0.0,3.0,0.0,0.217800006270409,0.0,14.2913999557495,0.0474368408322334,,7.0,6.0
InChI%3D1S%2FC6H14S2%2Fc1-3-7-5-6-8-4-2%2Fh3-6H2%2C1-2H3,0.0,7.0,22.0,5.0,1.89999997615814,2.99799990653992,0.0,8.0,0.0,1.90980005264282,2.0,44.9924011230469,3.64733600616455,,0.0,0.0
InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,0.0,9.0,20.0,3.0,1.46000003814697,1.63300001621246,0.0,10.0,1.0,0.972699999809265,0.0,40.3573989868164,0.946145296096802,,6.0,0.0
InChI%3D1S%2FC16H22O4%2Fc1-3-5-11-19-15%2817%2913-7-9-14%2810-8-13%2916%2818%2920-12-6-4-2%2Fh7-10H%2C3-6%2C11-12H2%2C1-2H3,6.0,20.0,42.0,10.0,2.77999997138977,4.61199998855591,0.0,7.0,0.0,-1.20840001106262,4.0,45.4515991210938,1.46023058891296,,12.0,6.0
InChI%3D1S%2FC7H7F%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C1H3,6.0,8.0,15.0,0.0,2.11999988555908,3.07800006866455,0.0,0.0,0.0,1.12170004844666,0.0,6.37459993362427,1.25821089744568,,6.0,6.0
InChI%3D1S%2FC5H13N%2Fc1-2-3-4-5-6%2Fh2-6H2%2C1H3,0.0,5.0,19.0,3.0,1.89999997615814,1.35300004482269,0.0,6.0,1.0,-1.55099999904633,5.0,23.5678005218506,2.40560102462769,,0.0,0.0
InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H,6.0,7.0,12.0,0.0,2.00999999046326,3.1029999256134,0.0,0.0,0.0,0.744300007820129,0.0,5.61560010910034,0.553982496261597,,6.0,6.0
InChI%3D1S%2FC8H6ClNO3%2Fc1-5%2811%296-2-3-7%289%298%284-6%2910%2812%2913%2Fh2-4H%2C1H3,6.0,13.0,19.0,2.0,1.78999996185303,2.28099989891052,0.0,3.0,0.0,0.443800002336502,2.0,19.2717990875244,0.196958437561989,,11.0,6.0
InChI%3D1S%2FC18H15O4P%2Fc19-23%2820-16-10-4-1-5-11-16%2C21-17-12-6-2-7-13-17%2922-18-14-8-3-9-15-18%2Fh1-15H,18.0,25.0,38.0,6.0,2.89000010490417,6.93900012969971,1.0,5.0,0.0,-0.0987000018358231,0.0,11.0087003707886,0.00974169000983238,,23.0,18.0
InChI%3D1S%2FC7H4ClNS2%2Fc8-4-1-2-6-5%283-4%299-7%2810%2911-6%2Fh1-3H%2C%28H%2C9%2C10%29,10.0,12.0,15.0,0.0,1.78999996185303,2.62400007247925,0.0,0.0,1.0,1.84590005874634,0.0,22.100700378418,3.40734672546387,,9.0,9.0
InChI%3D1S%2FC3H5N%2Fc1-2-3-4%2Fh2H2%2C1H3,0.0,3.0,9.0,0.0,1.67999994754791,0.284000009298325,0.0,4.0,0.0,0.120800003409386,3.0,16.6464996337891,0.0145926401019096,,1.0,0.0
InChI%3D1S%2FC9H18O%2Fc1-3-5-7-9%2810%298-6-4-2%2Fh3-8H2%2C1-2H3,0.0,9.0,28.0,6.0,2.33999991416931,2.96700000762939,0.0,10.0,0.0,-1.24360001087189,9.0,37.8881988525391,1.54654097557068,,1.0,0.0
InChI%3D1S%2FC6H5N3O4%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2812%2913%2Fh1-3H%2C7H2,6.0,13.0,18.0,2.0,1.35000002384186,2.39800000190735,0.0,3.0,1.0,-0.843100011348724,0.0,9.99370002746582,0.710817635059357,,13.0,6.0
InChI%3D1S%2FC4H10O%2Fc1-4%282%293-5%2Fh4-5H%2C3H2%2C1-2H3,0.0,4.0,15.0,1.0,1.78999996185303,0.578999996185303,0.0,5.0,1.0,0.124200001358986,3.0,21.5445995330811,0.0154256401583552,,0.0,0.0
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-3-2-4-8%2811%295-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,6.0,11.0,20.0,1.0,2.00999999046326,1.66600000858307,0.0,4.0,2.0,-0.532000005245209,0.0,16.4654006958008,0.28302401304245,,10.0,6.0
InChI%3D1S%2FC6H8O%2Fc1-5-3-4-6%282%297-5%2Fh3-4H%2C1-2H3,5.0,7.0,15.0,0.0,2.00999999046326,2.01200008392334,0.0,0.0,0.0,0.724900007247925,0.0,13.0840997695923,0.525480031967163,,5.0,5.0
InChI%3D1S%2FC11H14O4%2Fc1-7%2812%298-5-6-9%2813-2%2911%2815-4%2910%288%2914-3%2Fh5-6H%2C1-4H3,6.0,15.0,29.0,4.0,2.23000001907349,0.966000020503998,0.0,2.0,0.0,-0.409299999475479,0.0,32.7178001403809,0.167526483535767,,11.0,6.0
InChI%3D1S%2FC6H10O3%2Fc1-3-6%288%299-4-5%282%297%2Fh3%2C5%2C7H%2C1%2C4H2%2C2H3,0.0,8.0,19.0,4.0,1.78999996185303,0.284000009298325,0.0,9.0,1.0,0.0619000010192394,3.0,32.937198638916,0.00383161008358002,,5.0,0.0
InChI%3D1S%2FC9H16ClNO2%2Fc10-6-7-13-9%2812%2911-8-4-2-1-3-5-8%2Fh8H%2C1-7H2%2C%28H%2C11%2C12%29,0.0,13.0,29.0,4.0,2.00999999046326,2.95799994468689,0.0,7.0,1.0,-0.365799993276596,2.0,42.7302017211914,0.133809641003609,,4.0,0.0
InChI%3D1S%2FC8H16O%2Fc1-3-4-5-6-7-8%282%299%2Fh3-7H2%2C1-2H3,0.0,8.0,25.0,5.0,2.23000001907349,2.71399998664856,0.0,9.0,0.0,-1.31980001926422,8.0,32.8647003173828,1.74187207221985,,1.0,0.0
InChI%3D1S%2FC8H17Br%2Fc1-2-3-4-5-6-7-8-9%2Fh2-8H2%2C1H3,0.0,8.0,26.0,6.0,2.23000001907349,4.93900012969971,0.0,9.0,0.0,-0.776300013065338,8.0,36.6795997619629,0.602641701698303,,0.0,0.0
InChI%3D1S%2FC13H10O2%2Fc14-10-11-6-8-13%289-7-11%2915-12-4-2-1-3-5-12%2Fh1-10H,12.0,16.0,25.0,3.0,2.67000007629395,4.5460000038147,0.0,2.0,0.0,-0.346500009298325,0.0,7.91300010681152,0.120062246918678,,15.0,12.0
InChI%3D1S%2FC4H11NO2%2Fc6-3-1-5-2-4-7%2Fh5-7H%2C1-4H2,0.0,6.0,18.0,4.0,1.57000005245209,-1.59399998188019,0.0,7.0,3.0,-1.29460000991821,2.0,27.2779998779297,1.67598915100098,,0.0,0.0
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,12.0,14.0,23.0,1.0,2.67000007629395,5.06300020217896,1.0,0.0,1.0,-0.460299998521805,0.0,2.56459999084473,0.211876094341278,,13.0,12.0
InChI%3D1S%2FC10H11NO4%2Fc1-14-9%2812%296-3-4-7%288%2811%295-6%2910%2813%2915-2%2Fh3-5H%2C11H2%2C1-2H3,6.0,15.0,26.0,4.0,2.00999999046326,1.31099998950958,0.0,4.0,1.0,-0.727500021457672,0.0,28.1989002227783,0.529256224632263,,13.0,6.0
InChI%3D1S%2FC9H13N%2Fc1-2-10-8-9-6-4-3-5-7-9%2Fh3-7%2C10H%2C2%2C8H2%2C1H3,6.0,10.0,23.0,3.0,2.33999991416931,3.15499997138977,0.0,4.0,1.0,-0.0560999996960163,2.0,18.0027008056641,0.00314720999449492,,6.0,6.0
InChI%3D1S%2FC3H6Cl2%2Fc4-2-1-3-5%2Fh1-3H2,0.0,4.0,11.0,2.0,1.57000005245209,2.09800004959106,0.0,5.0,0.0,1.22379994392395,3.0,23.5671997070312,1.4976863861084,,0.0,0.0
InChI%3D1S%2FC11H17NO%2Fc1-3-12%287-8-13%2911-6-4-5-10%282%299-11%2Fh4-6%2C9%2C13H%2C3%2C7-8H2%2C1-2H3,6.0,13.0,30.0,4.0,2.45000004768372,2.64299988746643,0.0,6.0,1.0,0.570800006389618,2.0,30.3796005249023,0.325812637805939,,7.0,6.0
InChI%3D1S%2FC6H12O2%2Fc1-5%287%298-6%282%2C3%294%2Fh1-4H3,0.0,7.0,20.0,2.0,1.89999997615814,1.54100000858307,0.0,8.0,0.0,0.952400028705597,2.0,31.2166004180908,0.907065749168396,,3.0,0.0
InChI%3D1S%2FC11H22O%2Fc1-3-4-5-6-7-8-9-10-11%282%2912%2Fh3-10H2%2C1-2H3,0.0,11.0,34.0,8.0,2.55999994277954,4.4210000038147,0.0,12.0,0.0,-2.18379998207092,11.0,41.5994987487793,4.76898241043091,,1.0,0.0
InChI%3D1S%2FC6H4Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H,6.0,8.0,12.0,0.0,1.89999997615814,2.98799991607666,0.0,0.0,0.0,1.48860001564026,0.0,11.2312002182007,2.21592998504639,,6.0,6.0
InChI%3D1S%2FC15H10O2%2Fc16-13-10-15%2811-6-2-1-3-7-11%2917-14-9-5-4-8-12%2813%2914%2Fh1-10H,12.0,19.0,29.0,1.0,2.89000010490417,4.63000011444092,0.0,0.0,0.0,-0.433499991893768,0.0,14.9121999740601,0.18792225420475,,9.0,12.0
InChI%3D1S%2FC9H9N%2Fc1-7-6-10-9-5-3-2-4-8%287%299%2Fh2-6%2C10H%2C1H3,10.0,11.0,18.0,0.0,2.33999991416931,2.67400002479553,0.0,0.0,1.0,0.642000019550323,0.0,5.50209999084473,0.412164002656937,,7.0,6.0
InChI%3D1S%2FC12H10S2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H,12.0,15.0,24.0,3.0,2.55999994277954,5.69199991226196,1.0,2.0,0.0,1.18120002746582,0.0,15.5869998931885,1.39523339271545,,6.0,12.0
InChI%3D1S%2FC6H4N2O5%2Fc9-6-2-1-4%287%2810%2911%293-5%286%298%2812%2913%2Fh1-3%2C9H,6.0,13.0,17.0,2.0,1.35000002384186,2.46499991416931,0.0,3.0,1.0,-0.55349999666214,0.0,8.33619976043701,0.306362241506577,,13.0,6.0
InChI%3D1S%2FC5H10O%2Fc1-3-5%286%294-2%2Fh3-4H2%2C1-2H3,0.0,5.0,16.0,2.0,1.89999997615814,0.690999984741211,0.0,6.0,2.0,-0.0916000008583069,5.0,26.2418003082275,0.00839055981487036,,1.0,0.0
InChI%3D1S%2FC6H4Cl2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H,6.0,9.0,13.0,0.0,1.78999996185303,2.02500009536743,0.0,0.0,1.0,1.02830004692078,0.0,13.7958002090454,1.05740094184875,,7.0,6.0
InChI%3D1S%2FC10H10O2%2Fc1-8%2811%297-10%2812%299-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3,6.0,12.0,22.0,3.0,2.33999991416931,2.97699999809265,0.0,6.0,0.0,-0.482899993658066,4.0,20.665599822998,0.233192414045334,,8.0,6.0
InChI%3D1S%2FC6H14O%2Fc1-2-3-4-5-6-7%2Fh7H%2C2-6H2%2C1H3,0.0,6.0,21.0,4.0,2.00999999046326,1.9889999628067,0.0,7.0,1.0,-1.54939997196198,6.0,24.8218994140625,2.40064024925232,,0.0,0.0
InChI%3D1S%2FC7H6N2O5%2Fc1-4-2-5%288%2811%2912%293-6%287%284%2910%299%2813%2914%2Fh2-3%2C10H%2C1H3,6.0,14.0,20.0,2.0,1.46000003814697,2.57699990272522,0.0,3.0,1.0,0.0885000005364418,0.0,13.8382997512817,0.0078322496265173,,13.0,6.0
InChI%3D1S%2FC4H11N%2Fc1-3-4%282%295%2Fh4H%2C3%2C5H2%2C1-2H3,0.0,4.0,16.0,1.0,1.78999996185303,0.675000011920929,0.0,5.0,3.0,-0.985700011253357,4.0,22.3290004730225,0.971604466438293,,0.0,0.0
InChI%3D1S%2FC11H18N2O3%2Fc1-4-11%286-5-7%282%293%298%2814%2912-10%2816%2913-9%2811%2915%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29,0.0,16.0,34.0,4.0,2.11999988555908,3.06900000572205,0.0,5.0,2.0,-0.232700005173683,4.0,58.051399230957,0.0541492886841297,,8.0,0.0
InChI%3D1S%2FC6H14S2%2Fc1-5%282%297-8-6%283%294%2Fh5-6H%2C1-4H3,0.0,7.0,22.0,3.0,1.89999997615814,2.87599992752075,0.0,8.0,0.0,1.28559994697571,3.0,45.9776000976562,1.65276730060577,,0.0,0.0
InChI%3D1S%2FC9H16O2%2Fc1-3-5-6-7-8-11-9%2810%294-2%2Fh4H%2C2-3%2C5-8H2%2C1H3,0.0,10.0,27.0,7.0,2.23000001907349,3.02099990844727,0.0,11.0,0.0,-0.57940000295639,6.0,38.6211013793945,0.335704356431961,,5.0,0.0
InChI%3D1S%2FC7H3Br2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,6.0,11.0,14.0,0.0,1.78999996185303,2.04900002479553,0.0,2.0,1.0,1.35199999809265,0.0,25.9613990783691,1.82790398597717,,9.0,6.0
InChI%3D1S%2FC5H12N2%2Fc1-7-4-2-6-3-5-7%2Fh6H%2C2-5H2%2C1H3,0.0,7.0,19.0,0.0,1.78999996185303,-0.532999992370605,0.0,0.0,1.0,-0.258500009775162,0.0,30.7434997558594,0.0668222531676292,,0.0,0.0
InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3,6.0,9.0,20.0,1.0,2.23000001907349,2.60599994659424,0.0,3.0,0.0,0.217800006270409,0.0,14.2913999557495,0.0474368408322334,,7.0,6.0
InChI%3D1S%2FC5H5BrN2%2Fc6-4-1-2-5%287%298-3-4%2Fh1-3H%2C%28H2%2C7%2C8%29,0.0,8.0,17.0,0.0,1.67999994754791,1.33299994468689,0.0,0.0,2.0,0.120200000703335,0.0,32.8685989379883,0.0144480401650071,,3.0,0.0
InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,6.0,10.0,13.0,0.0,1.67999994754791,2.12100005149841,0.0,0.0,1.0,1.77260005474091,0.0,19.4113998413086,3.14211082458496,,7.0,6.0
InChI%3D1S%2FC7H8FN%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C9H%2C1H3,6.0,9.0,17.0,1.0,2.00999999046326,2.11500000953674,0.0,2.0,1.0,0.16159999370575,0.0,9.86919975280762,0.0261145606637001,,7.0,6.0
InChI%3D1S%2FC11H16ClO2PS3%2Fc1-3-13-15%2816%2C14-4-2%2918-9-17-11-7-5-10%2812%296-8-11%2Fh5-8H%2C3-4%2C9H2%2C1-2H3,6.0,18.0,34.0,8.0,1.89999997615814,5.39900016784668,1.0,11.0,0.0,3.40440011024475,2.0,63.0668983459473,11.5899391174316,,6.0,6.0
InChI%3D1S%2FC9H21N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh4-9H2%2C1-3H3,0.0,9.0,31.0,6.0,2.33999991416931,2.40599989891052,0.0,10.0,0.0,-0.66210001707077,3.0,43.4654998779297,0.438376396894455,,0.0,0.0
InChI%3D1S%2FC5H8O2%2Fc1-4%286%293-5%282%297%2Fh3H2%2C1-2H3,0.0,6.0,15.0,2.0,1.78999996185303,0.231000006198883,0.0,7.0,0.0,-0.47299998998642,5.0,26.0900001525879,0.223728999495506,,1.0,0.0
InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3,6.0,9.0,21.0,1.0,2.45000004768372,5.46199989318848,1.0,3.0,0.0,0.572899997234344,3.0,14.2678003311157,0.328214406967163,,6.0,6.0
InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh5H%2C4H2%2C1H3,0.0,4.0,11.0,0.0,1.78999996185303,0.368000000715256,0.0,5.0,1.0,0.783699989318848,4.0,21.3423004150391,0.614185690879822,,2.0,0.0
InChI%3D1S%2FC15H24O%2Fc1-2-3-4-5-6-7-8-9-14-10-12-15%2816%2913-11-14%2Fh10-13%2C16H%2C2-9H2%2C1H3,6.0,16.0,40.0,8.0,3.0,6.91900014877319,1.0,9.0,1.0,-2.36260008811951,9.0,33.7098999023438,5.58187866210938,,7.0,6.0
InChI%3D1S%2FC4H6O%2Fc1-3-4%282%295%2Fh1%2C4-5H%2C2H3,0.0,4.0,11.0,0.0,1.78999996185303,0.294999986886978,0.0,5.0,1.0,0.305500000715256,4.0,19.6254005432129,0.0933302491903305,,2.0,0.0
InChI%3D1S%2FC8H18S%2Fc1-3-5-7-9-8-6-4-2%2Fh3-8H2%2C1-2H3,0.0,8.0,27.0,6.0,2.23000001907349,3.88100004196167,0.0,9.0,0.0,-0.435600012540817,4.0,40.6617012023926,0.189747363328934,,0.0,0.0
InChI%3D1S%2FC11H15NO%2Fc1-11%282%2C3%299-6-4-8%285-7-9%2910%2812%2913%2Fh4-7H%2C1-3H3%2C%28H2%2C12%2C13%29,6.0,13.0,28.0,2.0,2.45000004768372,3.94400000572205,0.0,3.0,1.0,0.921400010585785,0.0,26.5683002471924,0.848977982997894,,9.0,6.0
InChI%3D1S%2FC6H15N%2Fc1-2-3-4-5-6-7%2Fh2-7H2%2C1H3,0.0,6.0,22.0,4.0,2.00999999046326,1.92200005054474,0.0,7.0,1.0,-1.83899998664856,6.0,26.4794006347656,3.38192105293274,,0.0,0.0
InChI%3D1S%2FC10H6N2O5.Na.2H2O%2Fc13-10-7-4-2-1-3-6%287%298%2811%2814%2915%295-9%2810%2912%2816%2917%3B%3B%3B%2Fh1-5%2C13H%3B%3B2%2A1H2%2Fq%3B%2B1%3B%3B%2Fp-1,11.0,18.0,29.0,2.0,1.46000003814697,,,3.0,2.0,,0.0,,,,17.0,10.0
InChI%3D1S%2FC5H8N2O2%2Fc1-5%282%293%288%296-4%289%297-5%2Fh1-2H3%2C%28H2%2C6%2C7%2C8%2C9%29,0.0,9.0,17.0,0.0,1.57000005245209,-0.11599999666214,0.0,0.0,2.0,0.303099989891052,0.0,30.521900177002,0.0918696075677872,,6.0,0.0
InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29,0.0,5.0,13.0,2.0,1.46000003814697,0.920000016689301,0.0,6.0,2.0,0.821900010108948,2.0,19.8181991577148,0.675519585609436,,4.0,0.0
InChI%3D1S%2FC5H4ClNO%2Fc6-4-2-1-3-5%288%297-4%2Fh1-3H%2C%28H%2C7%2C8%29,6.0,8.0,12.0,0.0,1.67999994754791,1.41799998283386,0.0,0.0,1.0,0.0733999982476234,0.0,8.66679954528809,0.00538755999878049,,7.0,6.0
InChI%3D1S%2FC7H10O2%2Fc1-4-5-9-7%288%296%282%293%2Fh4H%2C1-2%2C5H2%2C3H3,0.0,8.0,19.0,4.0,2.00999999046326,1.3289999961853,0.0,9.0,0.0,1.78190004825592,3.0,35.5802993774414,3.17516756057739,,5.0,0.0
InChI%3D1S%2FC13H10O3%2Fc14-12-9-5-4-8-11%2812%2913%2815%2916-10-6-2-1-3-7-10%2Fh1-9%2C14H,12.0,17.0,26.0,3.0,2.55999994277954,4.57399988174438,1.0,3.0,1.0,-0.551400005817413,0.0,8.85630035400391,0.30404195189476,,16.0,12.0
InChI%3D1S%2FC2H3Cl2NO%2Fc3-1%284%292%285%296%2Fh1H%2C%28H2%2C5%2C6%29,0.0,5.0,9.0,1.0,1.24000000953674,0.976999998092651,0.0,6.0,2.0,1.12339997291565,2.0,23.8766002655029,1.26202750205994,,3.0,0.0
InChI%3D1S%2FC7H9N%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6%2C8H2,6.0,8.0,17.0,1.0,2.11999988555908,2.34200000762939,0.0,2.0,1.0,-0.738300025463104,0.0,8.93430042266846,0.545086860656738,,6.0,6.0
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3,6.0,9.0,17.0,1.0,2.00999999046326,1.38900005817413,0.0,2.0,1.0,-0.512099981307983,0.0,9.88039970397949,0.262246400117874,,8.0,6.0
InChI%3D1S%2FC12H23N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-11H2%2C1H3,0.0,12.0,36.0,9.0,2.67000007629395,5.40500020980835,1.0,13.0,0.0,-2.47119998931885,12.0,42.8508987426758,6.10682964324951,,1.0,0.0
InChI%3D1S%2FC14H26O4%2Fc1-3-17-13%2815%2911-9-7-5-6-8-10-12-14%2816%2918-4-2%2Fh3-12H2%2C1-2H3,0.0,17.0,44.0,13.0,2.55999994277954,3.76999998092651,1.0,18.0,0.0,-1.13520002365112,10.0,59.1324005126953,1.28867900371552,,3.0,0.0
InChI%3D1S%2FC15H26O%2Fc1-6-15%285%2C16%2912-8-11-14%284%2910-7-9-13%282%293%2Fh6%2C9%2C11%2C16H%2C1%2C7-8%2C10%2C12H2%2C2-5H3%2Fb14-11%2B,0.0,15.0,42.0,7.0,3.0,4.28999996185303,0.0,16.0,1.0,3.7014000415802,12.0,73.6714019775391,13.7003622055054,,2.0,0.0
InChI%3D1S%2FC9H17N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-8H2%2C1H3,0.0,9.0,27.0,6.0,2.33999991416931,3.69799995422363,0.0,10.0,0.0,-1.60720002651215,9.0,34.1161003112793,2.58309173583984,,1.0,0.0
InChI%3D1S%2FC7H16O%2Fc1-5%282%297%288%296%283%294%2Fh5-8H%2C1-4H3,0.0,7.0,24.0,2.0,2.11999988555908,1.69400000572205,0.0,8.0,1.0,0.63510000705719,5.0,34.4981002807617,0.403352022171021,,0.0,0.0
InChI%3D1S%2FC12H12N2%2Fc1%2811-3-7-13-8-4-11%292-12-5-9-14-10-6-12%2Fh3-10H%2C1-2H2,12.0,15.0,26.0,3.0,2.55999994277954,3.10599994659424,0.0,2.0,0.0,0.124799996614456,2.0,9.73079967498779,0.0155750401318073,,6.0,12.0
InChI%3D1S%2FC6H10Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh5-6H%2C1-4H2%2Ft5-%2C6%3F%2Fm1%2Fs1,0.0,8.0,18.0,0.0,1.89999997615814,2.71000003814697,0.0,0.0,0.0,0.235799998044968,0.0,29.6734008789062,0.055601641535759,,0.0,0.0
InChI%3D1S%2FC6H12%2Fc1-2-4-6-5-3-1%2Fh1-6H2,0.0,6.0,18.0,0.0,2.11999988555908,3.41400003433228,0.0,0.0,0.0,-1.72800004482269,0.0,17.4696006774902,2.98598408699036,,0.0,0.0
InChI%3D1S%2FC8H18S%2Fc1-7%282%2C3%299-8%284%2C5%296%2Fh1-6H3,0.0,8.0,27.0,2.0,2.23000001907349,3.41100001335144,0.0,9.0,0.0,2.65779995918274,3.0,46.7944984436035,7.0639009475708,,0.0,0.0
InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3%2Ft8-%2C9%2B%2C10-%2Fm1%2Fs1,0.0,11.0,31.0,1.0,2.45000004768372,3.21099996566772,0.0,2.0,1.0,0.656300008296967,0.0,44.9238014221191,0.430729687213898,,0.0,0.0
InChI%3D1S%2FC8H8O3%2Fc1-11-8-4-6%285-9%292-3-7%288%2910%2Fh2-5%2C10H%2C1H3,6.0,11.0,19.0,2.0,2.00999999046326,1.03999996185303,0.0,2.0,1.0,-0.704500019550323,0.0,16.1742992401123,0.496320247650146,,10.0,6.0
InChI%3D1S%2FC6H12O3%2Fc1-6%282%298-4-5%283-7%299-6%2Fh5%2C7H%2C3-4H2%2C1-2H3,0.0,9.0,21.0,1.0,1.78999996185303,-0.0379999987781048,0.0,2.0,1.0,-0.673099994659424,0.0,32.7230987548828,0.453063607215881,,0.0,0.0
InChI%3D1S%2FC5H12N2%2Fc1-5-4-6-2-3-7-5%2Fh5-7H%2C2-4H2%2C1H3,0.0,7.0,19.0,0.0,1.78999996185303,-0.312000006437302,0.0,0.0,2.0,-0.80510002374649,0.0,30.0331993103027,0.648186028003693,,0.0,0.0
InChI%3D1S%2FC13H20O%2Fc1-10-6-5-9-13%283%2C4%2912%2810%298-7-11%282%2914%2Fh7-8H%2C5-6%2C9H2%2C1-4H3,0.0,14.0,34.0,2.0,2.77999997138977,3.65000009536743,0.0,5.0,0.0,1.57679998874664,4.0,60.6614990234375,2.48629832267761,,6.0,0.0
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,0.0,7.0,8.0,1.0,1.01999998092651,3.88199996948242,0.0,8.0,0.0,3.37639999389648,2.0,41.8779983520508,11.4000768661499,,0.0,0.0
InChI%3D1S%2FC16H27N%2Fc1-2-3-4-5-6-7-8-9-10-15-11-13-16%2817%2914-12-15%2Fh11-14H%2C2-10%2C17H2%2C1H3,6.0,17.0,44.0,9.0,3.10999989509583,7.4210000038147,1.0,10.0,1.0,-2.94020009040833,10.0,38.2789993286133,8.64477634429932,,7.0,6.0
InChI%3D1S%2FC6H3Cl3%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H,6.0,9.0,12.0,0.0,1.78999996185303,3.08400011062622,0.0,0.0,0.0,2.2328999042511,0.0,16.8467998504639,4.98584222793579,,6.0,6.0
InChI%3D1S%2FC15H12Cl4O2%2Fc1-15%282%2C7-3-9%2816%2913%2820%2910%2817%294-7%298-5-11%2818%2914%2821%2912%2819%296-8%2Fh3-6%2C20-21H%2C1-2H3,12.0,22.0,33.0,2.0,2.45000004768372,4.90100002288818,0.0,2.0,2.0,2.97079992294312,0.0,41.2163009643555,8.82565307617188,,7.0,12.0
InChI%3D1S%2FC7H5F4N%2Fc8-6-2-1-4%2812%293-5%286%297%289%2C10%2911%2Fh1-3H%2C12H2,6.0,12.0,17.0,1.0,1.67999994754791,2.83899998664856,0.0,3.0,1.0,0.827899992465973,0.0,11.5291996002197,0.685418426990509,,7.0,6.0
InChI%3D1S%2FC7H5F4N%2Fc8-4-1-2-6%2812%295%283-4%297%289%2C10%2911%2Fh1-3H%2C12H2,6.0,12.0,17.0,1.0,1.67999994754791,2.83899998664856,0.0,3.0,1.0,0.827899992465973,0.0,11.5291996002197,0.685418426990509,,7.0,6.0
InChI%3D1S%2FC7H4F3NO3%2Fc8-7%289%2C10%295-3-4%2812%291-2-6%285%2911%2813%2914%2Fh1-3%2C12H,6.0,14.0,18.0,2.0,1.46000003814697,2.83400011062622,0.0,3.0,1.0,0.591199994087219,0.0,11.8850002288818,0.349517434835434,,10.0,6.0
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,6.0,6.0,11.0,0.0,1.89999997615814,1.39999997615814,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,6.0,6.0
InChI%3D1S%2FC6H5NO3%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4%2C8H,6.0,10.0,15.0,1.0,1.67999994754791,2.57800006866455,0.0,3.0,1.0,-0.506900012493134,0.0,5.45039987564087,0.256947606801987,,10.0,6.0
InChI%3D1S%2FC10H22S2%2Fc1-3-7-11-9-5-6-10-12-8-4-2%2Fh3-10H2%2C1-2H3,0.0,11.0,34.0,9.0,2.33999991416931,4.42999982833862,0.0,12.0,0.0,0.178200006484985,4.0,57.8796005249023,0.0317552387714386,,0.0,0.0
InChI%3D1S%2FC6H13NO2%2Fc8-4-1-7-2-5-9-6-3-7%2Fh8H%2C1-6H2,0.0,9.0,22.0,2.0,1.78999996185303,-1.0460000038147,0.0,3.0,1.0,-0.531599998474121,2.0,35.3549003601074,0.282598555088043,,0.0,0.0
InChI%3D1S%2FC5H8N4%2Fc1-3-4%282%298-9-5%286%297-3%2Fh1-2H3%2C%28H2%2C6%2C7%2C9%29,0.0,9.0,21.0,0.0,1.57000005245209,1.12999999523163,0.0,0.0,2.0,-0.888100028038025,0.0,33.0928993225098,0.78872162103653,,5.0,0.0
InChI%3D1S%2FC7H8N2O%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H2%2C9%2C10%29,6.0,10.0,18.0,1.0,1.89999997615814,2.04900002479553,0.0,3.0,3.0,-0.831499993801117,0.0,12.6984996795654,0.691392242908478,,10.0,6.0
InChI%3D1S%2FC12H10O2%2Fc13-10-6-8-12%289-7-10%2914-11-4-2-1-3-5-11%2Fh1-9%2C13H,12.0,15.0,24.0,2.0,2.55999994277954,3.93199992179871,0.0,0.0,1.0,-0.614400029182434,0.0,4.18370008468628,0.377487361431122,,14.0,12.0
InChI%3D1S%2FC7H8%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3,6.0,7.0,15.0,0.0,2.23000001907349,4.38500022888184,0.0,0.0,0.0,0.642000019550323,0.0,5.50209999084473,0.412164002656937,,6.0,6.0
InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%297%282%295-6%2Fh3-5%2C9H%2C1-2H3,6.0,9.0,19.0,0.0,2.23000001907349,2.47900009155273,0.0,0.0,1.0,0.82370001077652,0.0,13.5687999725342,0.678481698036194,,7.0,6.0
InChI%3D1S%2FC14H20O3%2Fc1-3-4-5-6-9-17-13-8-7-12%2811-15%2910-14%2813%2916-2%2Fh7-8%2C10-11H%2C3-6%2C9H2%2C1-2H3,6.0,17.0,37.0,8.0,2.67000007629395,4.04699993133545,0.0,7.0,0.0,-1.48740005493164,6.0,37.4860992431641,2.21235871315002,,10.0,6.0
InChI%3D1S%2FC8H7N%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-5H%2C1H3,6.0,9.0,16.0,0.0,2.23000001907349,3.09999990463257,0.0,2.0,0.0,0.676699995994568,0.0,11.7006998062134,0.457922875881195,,8.0,6.0
InChI%3D1S%2FC16H22O4%2Fc1-3-5-10-19-15%2817%2913-8-7-9-14%2812-13%2916%2818%2920-11-6-4-2%2Fh7-9%2C12H%2C3-6%2C10-11H2%2C1-2H3,6.0,20.0,42.0,10.0,2.77999997138977,4.82299995422363,0.0,7.0,0.0,-1.20840001106262,4.0,45.4515991210938,1.46023058891296,,12.0,6.0
InChI%3D1S%2FC6H12O%2Fc7-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2,0.0,7.0,19.0,0.0,2.00999999046326,1.3289999961853,0.0,0.0,1.0,-1.95070004463196,0.0,20.5205001831055,3.80523037910461,,0.0,0.0
InChI%3D1S%2FC6H12O3%2Fc1-3-8-4-5-9-6%282%297%2Fh3-5H2%2C1-2H3,0.0,8.0,21.0,5.0,1.78999996185303,0.474000006914139,0.0,9.0,0.0,0.140599995851517,2.0,32.7500991821289,0.0197683591395617,,3.0,0.0
InChI%3D1S%2FC2H7NO%2Fc3-1-2-4%2Fh4H%2C1-3H2,0.0,3.0,11.0,1.0,1.46000003814697,-1.27499997615814,0.0,4.0,2.0,-1.18700003623962,2.0,16.2110996246338,1.40896904468536,,0.0,0.0
InChI%3D1S%2FC3H9N%2Fc1-2-3-4%2Fh2-4H2%2C1H3,0.0,3.0,13.0,1.0,1.67999994754791,0.215000003576279,0.0,4.0,1.0,-0.975000023841858,3.0,17.7446002960205,0.950625002384186,,0.0,0.0
InChI%3D1S%2FC8H9NO2%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3%2C%28H2%2C9%2C10%29,6.0,11.0,20.0,2.0,2.00999999046326,2.20600008964539,0.0,2.0,2.0,-0.133399993181229,0.0,15.792200088501,0.0177955608814955,,10.0,6.0
InChI%3D1S%2FC5H10O%2Fc1-5%282%293-4-6%2Fh4-5H%2C3H2%2C1-2H3,0.0,5.0,16.0,2.0,1.89999997615814,1.66400003433228,0.0,6.0,0.0,0.415300011634827,4.0,25.1109008789062,0.172474086284637,,2.0,0.0
InChI%3D1S%2FC8H6Cl2O2%2Fc1-12-8%2811%296-4-5%289%292-3-7%286%2910%2Fh2-4H%2C1H3,6.0,12.0,18.0,2.0,1.89999997615814,2.5460000038147,0.0,4.0,0.0,1.49979996681213,0.0,23.2196006774902,2.24940013885498,,9.0,6.0
InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3,0.0,4.0,15.0,0.0,1.78999996185303,0.800999999046326,0.0,5.0,1.0,0.573300004005432,3.0,22.0650997161865,0.328672885894775,,0.0,0.0
InChI%3D1S%2FC7H6O2.Na%2Fc8-7%289%296-4-2-1-3-5-6%3B%2Fh1-5H%2C%28H%2C8%2C9%29%3B%2Fq%3B%2B1%2Fp-1,6.0,9.0,15.0,1.0,1.89999997615814,2.18499994277954,0.0,3.0,0.0,,0.0,,,,9.0,6.0
InChI%3D1S%2FC12H12N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29,6.0,18.0,29.0,2.0,2.23000001907349,3.76099991798401,0.0,2.0,1.0,-1.12360000610352,2.0,34.4664001464844,1.26247692108154,,8.0,6.0
InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%2811%295%289%296%2810%294%282%298%2Fh1%2C11H,6.0,11.0,13.0,0.0,1.57000005245209,2.21700000762939,0.0,0.0,1.0,2.51690006256104,0.0,25.0270004272461,6.33478546142578,,7.0,6.0
InChI%3D1S%2FC8H7NO4%2Fc1-13-8%2810%296-2-4-7%285-3-6%299%2811%2912%2Fh2-5H%2C1H3,6.0,13.0,20.0,3.0,1.78999996185303,2.2409999370575,0.0,4.0,0.0,-0.0353999994695187,0.0,14.8741998672485,0.00125315994955599,,12.0,6.0
InChI%3D1S%2FC9H14O2%2Fc1-2-9%2810%2911-8-6-4-3-5-7-8%2Fh2%2C8H%2C1%2C3-7H2,0.0,11.0,25.0,3.0,2.23000001907349,2.36100006103516,0.0,5.0,0.0,-0.980700016021729,3.0,34.3196983337402,0.961772501468658,,5.0,0.0
InChI%3D1S%2FC7H6O2%2Fc8-5-6-3-1-2-4-7%286%299%2Fh1-5%2C9H,6.0,9.0,15.0,1.0,2.00999999046326,2.12400007247925,0.0,2.0,1.0,-0.652700006961823,0.0,8.85849952697754,0.426017284393311,,9.0,6.0
InChI%3D1S%2FC6H14S2%2Fc1-3-5-7-8-6-4-2%2Fh3-6H2%2C1-2H3,0.0,7.0,22.0,5.0,1.89999997615814,2.99799990653992,0.0,8.0,0.0,0.731000006198883,3.0,42.6319999694824,0.534361004829407,,0.0,0.0
InChI%3D1S%2F2C4H7Cl3O.H2O%2Fc2%2A1-3%282%2C8%294%285%2C6%297%3B%2Fh2%2A8H%2C1-2H3%3B1H2,0.0,14.0,33.0,2.0,1.35000002384186,3.96099996566772,0.0,8.0,3.0,3.64400005340576,3.0,74.5431976318359,13.278736114502,,0.0,0.0
InChI%3D1S%2FC4H6O2%2Fc5-3-1-2-4-6%2Fh5-6H%2C3-4H2,0.0,5.0,12.0,0.0,1.67999994754791,-0.879999995231628,0.0,6.0,2.0,-0.307000011205673,4.0,23.117000579834,0.094249002635479,,2.0,0.0
InChI%3D1S%2FC4H5NO%2Fc1-4-2-6-3-5-4%2Fh2-3H%2C1H3,5.0,6.0,11.0,0.0,1.67999994754791,0.583999991416931,0.0,0.0,1.0,0.285400003194809,0.0,7.3516001701355,0.0814531594514847,,0.0,0.0
InChI%3D1S%2FC3H6Br2%2Fc4-2-1-3-5%2Fh1-3H2,0.0,4.0,11.0,2.0,1.57000005245209,2.7739999294281,0.0,5.0,0.0,1.51279997825623,3.0,29.534200668335,2.28856372833252,,0.0,0.0
InChI%3D1S%2FC6H12O%2Fc1-3-5-6%287%294-2%2Fh4%2C6-7H%2C2-3%2C5H2%2C1H3,0.0,6.0,19.0,3.0,2.00999999046326,1.56900000572205,0.0,7.0,1.0,-0.327899992465973,6.0,27.831600189209,0.107518412172794,,2.0,0.0
InChI%3D1S%2FC6H4N2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H,6.0,8.0,12.0,0.0,1.89999997615814,1.1360000371933,0.0,2.0,0.0,0.0346999987959862,0.0,6.19859981536865,0.00120408996008337,,8.0,6.0
InChI%3D1S%2FC9H19NO%2Fc1-4-10%285-2%298-6-7-9%283%2911%2Fh4-8H2%2C1-3H3,0.0,10.0,30.0,6.0,2.23000001907349,1.07200002670288,0.0,11.0,1.0,0.223100006580353,5.0,45.8223991394043,0.0497736111283302,,1.0,0.0
InChI%3D1S%2FC6H14S%2Fc1-3-5-7-6-4-2%2Fh3-6H2%2C1-2H3,0.0,6.0,21.0,4.0,2.00999999046326,2.74300003051758,0.0,7.0,0.0,0.140400007367134,3.0,34.8385009765625,0.0197121594101191,,0.0,0.0
InChI%3D1S%2FC9H18O2%2Fc1-2-3-4-5-6-7-8-9%2810%2911%2Fh2-8H2%2C1H3%2C%28H%2C10%2C11%29,0.0,10.0,29.0,7.0,2.23000001907349,3.58699989318848,0.0,11.0,1.0,-1.88170003890991,9.0,35.1367988586426,3.54079484939575,,3.0,0.0
InChI%3D1S%2FC7H6Cl2O2%2Fc1-11-7-3-5%289%294%288%292-6%287%2910%2Fh2-3%2C10H%2C1H3,6.0,11.0,17.0,1.0,1.78999996185303,1.5809999704361,0.0,2.0,1.0,0.976499974727631,0.0,21.1116008758545,0.95355224609375,,8.0,6.0
InChI%3D1S%2FC5H8O%2Fc1-3-4-5%282%296%2Fh1%2C5-6H%2C4H2%2C2H3,0.0,5.0,14.0,1.0,1.89999997615814,0.386999994516373,0.0,6.0,1.0,0.367900013923645,5.0,24.4908008575439,0.135350406169891,,2.0,0.0
InChI%3D1S%2FC13H26O%2Fc1-3-4-5-6-7-8-9-10-11-12-13%282%2914%2Fh3-12H2%2C1-2H3,0.0,13.0,40.0,10.0,2.77999997138977,5.55900001525879,1.0,14.0,0.0,-2.75979995727539,13.0,47.4226989746094,7.61649608612061,,1.0,0.0
InChI%3D1S%2FC8H12N2%2Fc9-7-5-3-1-2-4-6-8-10%2Fh1-6H2,0.0,9.0,22.0,5.0,2.11999988555908,1.36600005626678,0.0,10.0,0.0,-1.01300001144409,8.0,33.1419982910156,1.02616894245148,,2.0,0.0
InChI%3D1S%2FC10H10O%2Fc1-3-10%282%2C11%299-7-5-4-6-8-9%2Fh1%2C4-8%2C11H%2C2H3,6.0,11.0,21.0,1.0,2.45000004768372,2.89000010490417,0.0,5.0,1.0,0.459199994802475,4.0,18.3642997741699,0.210864633321762,,6.0,6.0
InChI%3D1S%2FC8H18O%2Fc1-2-3-4-5-6-7-8-9%2Fh9H%2C2-8H2%2C1H3,0.0,8.0,27.0,6.0,2.23000001907349,3.12700009346008,0.0,9.0,1.0,-2.12540006637573,8.0,30.6450996398926,4.51732492446899,,0.0,0.0
InChI%3D1S%2FC18H39O7P%2Fc1-4-7-10-20-13-16-23-26%2819%2C24-17-14-21-11-8-5-2%2925-18-15-22-12-9-6-3%2Fh4-18H2%2C1-3H3,0.0,25.0,65.0,21.0,2.55999994277954,2.78999996185303,1.0,26.0,0.0,-2.03069996833801,4.0,93.4414978027344,4.12374258041382,,5.0,0.0
InChI%3D1S%2FC9H14N.HI%2Fc1-10%282%2C3%299-7-5-4-6-8-9%3B%2Fh4-8H%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1,6.0,10.0,25.0,1.0,2.23000001907349,3.46499991416931,0.0,4.0,0.0,,0.0,,,,7.0,6.0
InChI%3D1S%2FC12H16%2Fc1-5-10-6-8-11%289-7-10%2912%282%2C3%294%2Fh5-9H%2C1H2%2C2-4H3,6.0,12.0,28.0,2.0,2.77999997138977,6.96000003814697,1.0,3.0,0.0,2.26370000839233,2.0,29.2740001678467,5.12433767318726,,8.0,6.0
InChI%3D1S%2FC15H24O%2Fc1-10-8-11%2814%282%2C3%294%2913%2816%2912%289-10%2915%285%2C6%297%2Fh8-9%2C16H%2C1-7H3,6.0,16.0,40.0,2.0,3.0,5.95699977874756,1.0,3.0,1.0,3.29410004615784,0.0,46.3203010559082,10.851095199585,,7.0,6.0
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H,6.0,8.0,14.0,0.0,1.89999997615814,1.29900002479553,0.0,0.0,2.0,-0.92059999704361,0.0,5.12919998168945,0.847504377365112,,8.0,6.0
InChI%3D1S%2FC9H21N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-10H2%2C1H3,0.0,9.0,31.0,7.0,2.33999991416931,3.62899994850159,0.0,10.0,1.0,-2.70300006866455,9.0,35.2141990661621,7.30620908737183,,0.0,0.0
InChI%3D1S%2FC12H15NO3%2Fc1-12%282%297-8-5-4-6-9%2810%288%2916-12%2915-11%2814%2913-3%2Fh4-6H%2C7H2%2C1-3H3%2C%28H%2C13%2C14%29,6.0,17.0,31.0,2.0,2.33999991416931,3.06699991226196,0.0,5.0,1.0,0.996399998664856,0.0,35.3858985900879,0.992812931537628,,11.0,6.0
InChI%3D1S%2FC3H10N2%2Fc4-2-1-3-5%2Fh1-5H2,0.0,4.0,15.0,2.0,1.57000005245209,-0.984000027179718,0.0,5.0,2.0,-1.76460003852844,3.0,20.7801990509033,3.11381316184998,,0.0,0.0
InChI%3D1S%2FC8H8O%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-6H%2C1H3,6.0,9.0,17.0,1.0,2.23000001907349,3.40300011634827,0.0,2.0,0.0,0.449600011110306,0.0,11.7959995269775,0.202140167355537,,8.0,6.0
InChI%3D1S%2FC8H18S2%2Fc1-7%282%2C3%299-10-8%284%2C5%296%2Fh1-6H3,0.0,9.0,28.0,3.0,2.11999988555908,3.66599988937378,0.0,10.0,0.0,3.24839997291565,3.0,54.5880012512207,10.5521020889282,,0.0,0.0
InChI%3D1S%2FC11H12O2%2Fc1-9%282%2911%2812%2913-8-10-6-4-3-5-7-10%2Fh3-7H%2C1%2C8H2%2C2H3,6.0,13.0,25.0,4.0,2.45000004768372,3.62199997901917,0.0,7.0,0.0,1.07439994812012,3.0,25.4330997467041,1.15433537960052,,6.0,6.0
InChI%3D1S%2FC2H3N%2Fc1-2-3%2Fh1H3,0.0,2.0,6.0,0.0,1.57000005245209,0.0309999994933605,0.0,3.0,0.0,0.044599998742342,2.0,11.6230001449585,0.00198915996588767,,1.0,0.0
InChI%3D1S%2FC4H11NO%2Fc1-2-5-3-4-6%2Fh5-6H%2C2-4H2%2C1H3,0.0,5.0,17.0,3.0,1.67999994754791,-0.462000012397766,0.0,6.0,2.0,-0.504800021648407,2.0,25.2794990539551,0.25482302904129,,0.0,0.0
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,6.0,11.0,20.0,1.0,2.00999999046326,1.66600000858307,0.0,4.0,2.0,-0.532000005245209,0.0,16.4654006958008,0.28302401304245,,10.0,6.0
InChI%3D1S%2FC5H4BrNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H,6.0,8.0,12.0,0.0,1.67999994754791,1.25600004196167,0.0,0.0,1.0,0.284900009632111,0.0,11.4834003448486,0.0811680108308792,,7.0,6.0
InChI%3D1S%2FC8H14%2Fc1-7%282%295-6-8%283%294%2Fh5-6H%2C1-4H3,0.0,7.0,22.0,1.0,2.33999991416931,3.12800002098083,0.0,8.0,0.0,3.11240005493164,6.0,40.2053985595703,9.68703365325928,,4.0,0.0
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-2-1-3-6%284-5%298%289%2910%2Fh1-4H,6.0,10.0,14.0,1.0,1.67999994754791,2.77900004386902,0.0,2.0,0.0,0.697700023651123,0.0,8.50139999389648,0.486785292625427,,9.0,6.0
InChI%3D1S%2FC7H8O%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5%2C8H%2C1H3,6.0,8.0,16.0,0.0,2.11999988555908,2.15599989891052,0.0,0.0,1.0,0.181700006127357,0.0,8.06669998168945,0.033014889806509,,7.0,6.0
InChI%3D1S%2FC3H8O%2Fc1-2-3-4%2Fh4H%2C2-3H2%2C1H3,0.0,3.0,12.0,1.0,1.67999994754791,0.282000005245209,0.0,4.0,1.0,-0.685400009155273,3.0,16.0870990753174,0.469773173332214,,0.0,0.0
InChI%3D1S%2FC14H14NO4PS%2Fc1-2-18-20%2821%2C14-6-4-3-5-7-14%2919-13-10-8-12%289-11-13%2915%2816%2917%2Fh3-11H%2C2H2%2C1H3,12.0,22.0,35.0,6.0,2.23000001907349,6.44199991226196,1.0,6.0,0.0,0.766600012779236,2.0,30.2910995483398,0.58767557144165,,19.0,12.0
InChI%3D1S%2FC6H8N2%2Fc7-5-3-1-2-4-6-8%2Fh1-4H2,0.0,7.0,16.0,3.0,1.89999997615814,0.228000000119209,0.0,8.0,1.0,-0.437000006437302,6.0,27.3187999725342,0.190969005227089,,2.0,0.0
InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3,0.0,8.0,27.0,5.0,2.23000001907349,2.85500001907349,0.0,9.0,1.0,-1.26059997081757,7.0,35.0635986328125,1.58911240100861,,0.0,0.0
InChI%3D1S%2FC10H14O%2Fc1-10%282%2C3%298-4-6-9%2811%297-5-8%2Fh4-7%2C11H%2C1-3H3,6.0,11.0,25.0,1.0,2.45000004768372,4.05000019073486,0.0,3.0,1.0,1.09590005874634,0.0,21.6914005279541,1.20099675655365,,7.0,6.0
InChI%3D1S%2FC6HCl3N2O4%2Fc7-2-1-3%288%296%2811%2814%2915%294%289%295%282%2910%2812%2913%2Fh1H,6.0,15.0,16.0,2.0,1.12999999523163,2.85800004005432,0.0,3.0,0.0,2.13969993591309,0.0,22.6184005737305,4.57831621170044,,12.0,6.0
InChI%3D1S%2FC7H5ClO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H,6.0,10.0,15.0,1.0,1.89999997615814,2.0090000629425,0.0,2.0,1.0,0.0916000008583069,0.0,14.474100112915,0.00839055981487036,,9.0,6.0
InChI%3D1S%2FC6H14O2%2Fc1-5%287%294-6%282%2C3%298%2Fh5%2C7-8H%2C4H2%2C1-3H3,0.0,7.0,22.0,2.0,1.89999997615814,0.486999988555908,0.0,8.0,1.0,-0.0700000002980232,5.0,32.6455993652344,0.00490000005811453,,0.0,0.0
InChI%3D1S%2FC8H6Br4%2Fc9-7%2810%295-3-1-2-4-6%285%298%2811%2912%2Fh1-4%2C7-8H,6.0,12.0,18.0,2.0,1.89999997615814,6.31400012969971,1.0,3.0,0.0,3.24519991874695,0.0,42.030200958252,10.5313234329224,,6.0,6.0
InChI%3D1S%2FC8H18O%2Fc1-3-5-7-9-8-6-4-2%2Fh3-8H2%2C1-2H3,0.0,8.0,27.0,6.0,2.23000001907349,2.72000002861023,0.0,9.0,0.0,-1.18029999732971,4.0,34.4873008728027,1.39310812950134,,0.0,0.0
InChI%3D1S%2FC10H14O%2Fc11-10-8-2-6-1-7%284-8%295-9%2810%293-6%2Fh6-9H%2C1-5H2,0.0,13.0,25.0,0.0,2.45000004768372,1.84200000762939,0.0,0.0,0.0,-0.853399991989136,0.0,42.521800994873,0.728291571140289,,2.0,0.0
InChI%3D1S%2FC7H7NO2.ClH%2Fc9-7%2810%296-8-4-2-1-3-5-8%3B%2Fh1-5H%2C6H2%3B1H,6.0,10.0,20.0,2.0,1.78999996185303,0.781000018119812,0.0,4.0,1.0,-2.56329989433289,2.0,9.50349998474121,6.57050704956055,,3.0,0.0
InChI%3D1S%2FC8H5Cl3O%2Fc1-4%2812%295-2-3-6%289%298%2811%297%285%2910%2Fh2-3H%2C1H3,6.0,12.0,17.0,1.0,1.89999997615814,2.58599996566772,0.0,3.0,0.0,1.97899997234344,2.0,27.6172008514404,3.91644096374512,,8.0,6.0
InChI%3D1S%2FC13H11NO2%2Fc15-12-9-5-4-8-11%2812%2913%2816%2914-10-6-2-1-3-7-10%2Fh1-9%2C15H%2C%28H%2C14%2C16%29,12.0,17.0,27.0,2.0,2.55999994277954,4.63000011444092,0.0,3.0,2.0,-0.541899979114532,0.0,11.0410003662109,0.293655604124069,,16.0,12.0
InChI%3D1S%2FC12H8ClNO3%2Fc13-9-5-7-10%288-6-9%2917-12-4-2-1-3-11%2812%2914%2815%2916%2Fh1-8H,12.0,18.0,25.0,3.0,2.23000001907349,4.66699981689453,0.0,2.0,0.0,0.543600022792816,0.0,10.1204996109009,0.295500963926315,,16.0,12.0
InChI%3D1S%2FC8H12O2%2Fc1-8%282%294-6%289%293-7%2810%295-8%2Fh3-5H2%2C1-2H3,0.0,10.0,22.0,0.0,2.11999988555908,0.573000013828278,0.0,0.0,7.0,0.49099999666214,0.0,37.964298248291,0.24108099937439,,2.0,0.0
InChI%3D1S%2FC17H18O2%2Fc1-17%282%2C3%2914-7-9-15%2810-8-14%2919-16-6-4-5-13%2811-16%2912-18%2Fh4-12H%2C1-3H3,12.0,20.0,37.0,4.0,3.10999989509583,6.55200004577637,1.0,3.0,0.0,1.20969998836517,0.0,27.0398006439209,1.46337413787842,,15.0,12.0
InChI%3D1S%2FC8H10O%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6%2C9H%2C2H2%2C1H3,6.0,9.0,19.0,1.0,2.23000001907349,2.93600010871887,0.0,2.0,1.0,-0.153400003910065,2.0,12.9151000976562,0.0235315598547459,,7.0,6.0
InChI%3D1S%2FC7H11ClO4%2Fc1-3-11-6%289%295%288%297%2810%2912-4-2%2Fh5H%2C3-4H2%2C1-2H3,0.0,11.0,23.0,6.0,1.67999994754791,1.38699996471405,0.0,12.0,0.0,1.11039996147156,3.0,41.502799987793,1.23298811912537,,3.0,0.0
InChI%3D1S%2FC2H8N2%2Fc3-1-2-4%2Fh1-4H2,0.0,3.0,12.0,1.0,1.46000003814697,-1.34200000762939,0.0,4.0,2.0,-1.47660005092621,2.0,17.8686008453369,2.18034744262695,,0.0,0.0
InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh2-3H%2C1H2,0.0,3.0,8.0,1.0,1.67999994754791,0.293000012636185,0.0,4.0,0.0,0.408399999141693,3.0,16.3659992218018,0.166790559887886,,4.0,0.0
InChI%3D1S%2FC7H13N3O3S%2Fc1-8-7%2812%2913-9-5%2814-4%296%2811%2910%282%293%2Fh1-4H3%2C%28H%2C8%2C12%29,0.0,13.0,27.0,5.0,1.46000003814697,0.953999996185303,0.0,14.0,1.0,0.532599985599518,2.0,53.7678985595703,0.283662766218185,,9.0,0.0
InChI%3D1S%2FC13H10ClNO%2Fc14-10-7-5-9%286-8-10%2913%2816%2911-3-1-2-4-12%2811%2915%2Fh1-8H%2C15H2,12.0,17.0,26.0,2.0,2.55999994277954,4.11700010299683,0.0,1.0,1.0,-0.269400000572205,0.0,15.1836996078491,0.0725763589143753,,15.0,12.0
InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2,0.0,6.0,14.0,0.0,1.67999994754791,-0.379999995231628,0.0,0.0,0.0,-0.261799991130829,0.0,22.0869998931885,0.0685392394661903,,0.0,0.0
InChI%3D1S%2FC8H12N2O2S%2Fc1-3-9-6%2811%295-7%2812%2910%284-2%298%289%2913%2Fh3-5H2%2C1-2H3,0.0,13.0,25.0,2.0,1.78999996185303,-0.247999995946884,0.0,2.0,0.0,0.764599978923798,2.0,52.3466987609863,0.584613144397736,,8.0,0.0
InChI%3D1S%2FC6H7N%2Fc1-6-3-2-4-7-5-6%2Fh2-5H%2C1H3,6.0,7.0,14.0,0.0,2.00999999046326,1.51199996471405,0.0,0.0,0.0,0.642000019550323,0.0,5.50209999084473,0.412164002656937,,6.0,6.0
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,6.0,9.0,14.0,1.0,1.78999996185303,2.89400005340576,0.0,3.0,0.0,-0.0465999990701675,0.0,2.88579988479614,0.00217155995778739,,9.0,6.0
InChI%3D1S%2FC2H5ClO%2Fc3-1-2-4%2Fh4H%2C1-2H2,0.0,3.0,9.0,1.0,1.46000003814697,0.266000002622604,0.0,4.0,1.0,0.307200014591217,2.0,17.6046009063721,0.0943718403577805,,0.0,0.0
InChI%3D1S%2FC3H6Br2O%2Fc4-1-3%285%292-6%2Fh3%2C6H%2C1-2H2,0.0,5.0,12.0,2.0,1.46000003814697,1.5809999704361,0.0,6.0,1.0,1.29009997844696,3.0,32.5850982666016,1.6643580198288,,0.0,0.0
InChI%3D1S%2FC6H3I3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,6.0,10.0,13.0,0.0,1.67999994754791,3.73499989509583,0.0,0.0,1.0,3.79999995231628,0.0,44.4031982421875,14.4399995803833,,7.0,6.0
InChI%3D1S%2FC6H4Cl2O2%2Fc7-3-1-5%289%296%2810%292-4%283%298%2Fh1-2%2C9-10H,6.0,10.0,14.0,0.0,1.67999994754791,1.49100005626678,0.0,0.0,2.0,0.568000018596649,0.0,16.3603992462158,0.322623997926712,,8.0,6.0
InChI%3D1S%2FC9H19NO%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh9H%2C3-8H2%2C1-2H3,0.0,10.0,30.0,7.0,2.23000001907349,2.31599998474121,0.0,11.0,0.0,-1.72990000247955,4.0,41.6621017456055,2.99255394935608,,3.0,0.0
InChI%3D1S%2FC14H9Cl5O%2Fc15-11-5-1-9%282-6-11%2913%2820%2C14%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C20H,12.0,21.0,29.0,3.0,2.33999991416931,6.1100001335144,1.0,6.0,1.0,2.43160009384155,2.0,37.0377998352051,5.91267871856689,,6.0,12.0
InChI%3D1S%2FC7H17N%2Fc1-2-3-4-5-6-7-8%2Fh2-8H2%2C1H3,0.0,7.0,25.0,5.0,2.11999988555908,2.4909999370575,0.0,8.0,1.0,-2.12700009346008,7.0,29.3910007476807,4.52412891387939,,0.0,0.0
InChI%3D1S%2FC9H10O3%2Fc1-6%2810%298-4-3-7%2812-2%295-9%288%2911%2Fh3-5%2C11H%2C1-2H3,6.0,12.0,22.0,2.0,2.11999988555908,1.32000005245209,0.0,2.0,1.0,-0.765999972820282,0.0,20.6508007049561,0.586755990982056,,10.0,6.0
InChI%3D1S%2FC5H10O%2Fc1-2-3-4-5-6%2Fh5H%2C2-4H2%2C1H3,0.0,5.0,16.0,3.0,1.89999997615814,1.72500002384186,0.0,6.0,0.0,-0.682299971580505,5.0,22.5650005340576,0.465533286333084,,1.0,0.0
InChI%3D1S%2FC12H9NO%2Fc14-12%2810-4-2-1-3-5-10%2911-6-8-13-9-7-11%2Fh1-9H,12.0,15.0,23.0,2.0,2.55999994277954,3.64800000190735,0.0,2.0,0.0,-0.263799995183945,0.0,5.34600019454956,0.0695904418826103,,14.0,12.0
InChI%3D1S%2FC20H30O2%2Fc1-5-18%282%2912-9-15-14%2813-18%297-8-16-19%2815%2C3%2910-6-11-20%2816%2C4%2917%2821%2922%2Fh5%2C7%2C15-16H%2C1%2C6%2C8-13H2%2C2-4H3%2C%28H%2C21%2C22%29%2Ft15-%2C16%2B%2C18-%2C19%2B%2C20%2B%2Fm0%2Fs1,0.0,24.0,52.0,2.0,3.44000005722046,6.31599998474121,1.0,2.0,1.0,1.96809995174408,2.0,89.8181991577148,3.8734176158905,,3.0,0.0
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2%2Fb2-1%2B,0.0,4.0,9.0,1.0,1.57000005245209,2.09899997711182,0.0,5.0,0.0,1.51820003986359,3.0,25.2765998840332,2.30493116378784,,2.0,0.0
InChI%3D1S%2FC6H2Cl4O2%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh11-12H,6.0,12.0,14.0,0.0,1.46000003814697,1.68299996852875,0.0,0.0,2.0,2.05660009384155,0.0,27.5916004180908,4.22960376739502,,8.0,6.0
InChI%3D1S%2FC7H15Br%2Fc1-2-3-4-5-6-7-8%2Fh2-7H2%2C1H3,0.0,7.0,23.0,5.0,2.11999988555908,4.36999988555908,0.0,8.0,0.0,-0.488299995660782,7.0,33.7680015563965,0.23843689262867,,0.0,0.0
InChI%3D1S%2FC3H9NO%2Fc1-5-3-2-4%2Fh2-4H2%2C1H3,0.0,4.0,14.0,2.0,1.57000005245209,-0.755999982357025,0.0,5.0,1.0,-0.778500020503998,2.0,20.9622993469238,0.606062233448029,,0.0,0.0
InChI%3D1S%2FC6H4Cl2%2Fc7-5-2-1-3-6%288%294-5%2Fh1-4H,6.0,8.0,12.0,0.0,1.89999997615814,2.98799991607666,0.0,0.0,0.0,1.48860001564026,0.0,11.2312002182007,2.21592998504639,,6.0,6.0
InChI%3D1S%2FC10H23N%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh2-11H2%2C1H3,0.0,10.0,34.0,8.0,2.45000004768372,4.19799995422363,0.0,11.0,1.0,-2.9909999370575,10.0,38.1258010864258,8.94608116149902,,0.0,0.0
InChI%3D1S%2FC8H16O%2Fc1-7%282%295-6-8%283%2C4%299-7%2Fh5-6H2%2C1-4H3,0.0,9.0,25.0,0.0,2.23000001907349,2.27999997138977,0.0,0.0,0.0,1.54530000686646,0.0,38.0587005615234,2.38795208930969,,0.0,0.0
InChI%3D1S%2FC6H6N2O2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H%2C7H2,6.0,10.0,16.0,1.0,1.67999994754791,1.65299999713898,0.0,2.0,1.0,-0.796500027179718,0.0,7.10790014266968,0.634412229061127,,10.0,6.0
InChI%3D1S%2FC5H8O3%2Fc1-2-5%287%298-4-3-6%2Fh2%2C6H%2C1%2C3-4H2,0.0,7.0,16.0,4.0,1.67999994754791,-0.175999999046326,0.0,8.0,1.0,0.0725999996066093,3.0,28.3528003692627,0.00527076004073024,,5.0,0.0
InChI%3D1S%2FC7H6O3%2Fc8-4-5-1-2-6%289%293-7%285%2910%2Fh1-4%2C9-10H,6.0,10.0,16.0,1.0,1.89999997615814,0.949999988079071,0.0,2.0,2.0,-1.11300003528595,0.0,11.4231004714966,1.23876905441284,,10.0,6.0
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,6.0,8.0,18.0,1.0,2.33999991416931,4.9539999961853,0.0,2.0,0.0,0.30689999461174,2.0,10.3505001068115,0.0941876098513603,,6.0,6.0
InChI%3D1S%2FC8H10%2Fc1-7-3-5-8%282%296-4-7%2Fh3-6H%2C1-2H3,6.0,8.0,18.0,0.0,2.33999991416931,4.70800018310547,0.0,0.0,0.0,1.28400003910065,0.0,11.0041999816895,1.64865601062775,,6.0,6.0
InChI%3D1S%2FC14H23NO4%2Fc1-16-7-5-6-15-10-11-8-12%2817-2%2914%2819-4%2913%289-11%2918-3%2Fh8-9%2C15H%2C5-7%2C10H2%2C1-4H3,6.0,19.0,42.0,9.0,2.45000004768372,0.935000002384186,0.0,7.0,1.0,-0.880800008773804,3.0,49.611400604248,0.77580863237381,,9.0,6.0
InChI%3D1S%2FC8H8O4%2Fc1-12-8%2811%296-3-2-5%289%294-7%286%2910%2Fh2-4%2C9-10H%2C1H3,6.0,12.0,20.0,2.0,1.89999997615814,0.85699999332428,0.0,4.0,2.0,-0.90939998626709,0.0,17.1175994873047,0.827008366584778,,11.0,6.0
InChI%3D1S%2FC9H18O%2Fc1-3-4-5-6-7-8-9%282%2910%2Fh3-8H2%2C1-2H3,0.0,9.0,28.0,6.0,2.33999991416931,3.28299999237061,0.0,10.0,0.0,-1.60780000686646,9.0,35.7762985229492,2.58502078056335,,1.0,0.0
InChI%3D1S%2FC13H8Cl2O2%2Fc14-12-5-4-11%287-13%2812%2915%2917-10-3-1-2-9%286-10%298-16%2Fh1-8H,12.0,18.0,25.0,3.0,2.45000004768372,4.52699995040894,0.0,2.0,0.0,1.14209997653961,0.0,19.1441993713379,1.30439245700836,,15.0,12.0
InChI%3D1S%2FC8H8O3%2Fc1-11-7-4-2-3-6%285-9%298%287%2910%2Fh2-5%2C10H%2C1H3,6.0,11.0,19.0,2.0,2.00999999046326,1.46899998188019,0.0,2.0,1.0,-0.704500019550323,0.0,16.1742992401123,0.496320247650146,,10.0,6.0
InChI%3D1S%2FC10H22N2%2Fc1-9%282%2C11%298-4-6-10%283%2C12%297-5-8%2Fh8H%2C4-7%2C11-12H2%2C1-3H3,0.0,12.0,34.0,1.0,2.33999991416931,1.442999958992,0.0,3.0,2.0,-0.0348000004887581,0.0,50.8577003479004,0.00121103995479643,,0.0,0.0
InChI%3D1S%2FC8H14O3%2Fc1-4-10-5-6-11-8%289%297%282%293%2Fh2%2C4-6H2%2C1%2C3H3,0.0,10.0,25.0,6.0,2.00999999046326,0.947000026702881,0.0,11.0,0.0,1.28460001945496,3.0,41.7549018859863,1.65019714832306,,5.0,0.0
InChI%3D1S%2FC6H6BrN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,6.0,8.0,14.0,0.0,1.89999997615814,2.20000004768372,0.0,0.0,1.0,0.138899996876717,0.0,12.8212003707886,0.0192932095378637,,7.0,6.0
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,5.0,6.0,11.0,0.0,1.67999994754791,0.535000026226044,0.0,0.0,2.0,0.0513000003993511,0.0,5.89870023727417,0.00263168988749385,,0.0,0.0
InChI%3D1S%2FC8H6ClN%2Fc1-6-3-2-4-8%289%297%286%295-10%2Fh2-4H%2C1H3,6.0,10.0,16.0,0.0,2.11999988555908,2.7739999294281,0.0,2.0,0.0,1.4210000038147,0.0,17.3162994384766,2.01924109458923,,8.0,6.0
InChI%3D1S%2FC13H13NO%2Fc14-12-7-4-8-13%289-12%2915-10-11-5-2-1-3-6-11%2Fh1-9H%2C10%2C14H2,12.0,16.0,28.0,3.0,2.67000007629395,4.23000001907349,0.0,2.0,1.0,-0.892400026321411,0.0,10.5534000396729,0.796377778053284,,8.0,12.0
InChI%3D1S%2FC3H6O2.Na%2Fc1-2-3%284%295%3B%2Fh2H2%2C1H3%2C%28H%2C4%2C5%29%3B%2Fq%3B%2B1%2Fp-1,0.0,4.0,11.0,1.0,1.46000003814697,-0.30799999833107,0.0,5.0,0.0,,3.0,,,,3.0,0.0
InChI%3D1S%2FC6H11NO%2Fc8-7-6-4-2-1-3-5-6%2Fh8H%2C1-5H2,0.0,8.0,19.0,0.0,1.89999997615814,1.16299998760223,0.0,2.0,1.0,-1.01629996299744,0.0,26.7140998840332,1.03286564350128,,3.0,0.0
InChI%3D1S%2FC2H5NO%2Fc1-2-3-4%2Fh2%2C4H%2C1H3,0.0,3.0,9.0,0.0,1.46000003814697,0.577000021934509,0.0,4.0,1.0,-0.140599995851517,2.0,15.2531995773315,0.0197683591395617,,3.0,0.0
InChI%3D1S%2FC6H12ClN.ClH%2Fc7-3-6-8-4-1-2-5-8%3B%2Fh1-6H2%3B1H,0.0,8.0,22.0,2.0,1.78999996185303,1.84599995613098,0.0,3.0,0.0,0.227899998426437,2.0,33.1856002807617,0.0519384108483791,,0.0,0.0
InChI%3D1S%2FC9H13N%2Fc1-3-10-9-6-4-5-8%282%297-9%2Fh4-7%2C10H%2C3H2%2C1-2H3,6.0,10.0,23.0,2.0,2.33999991416931,3.11299991607666,0.0,3.0,1.0,0.574299991130829,2.0,18.7926006317139,0.329820483922958,,7.0,6.0
InChI%3D1S%2FC8H19N%2Fc1-7%282%2C3%296-8%284%2C5%299%2Fh6%2C9H2%2C1-5H3,0.0,8.0,28.0,2.0,2.23000001907349,2.77500009536743,0.0,9.0,1.0,1.72160005569458,5.0,41.8714981079102,2.96390652656555,,0.0,0.0
InChI%3D1S%2FC10H18O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7-8%2C11H%2C4-6H2%2C1-3H3%2Ft7-%2C8%2B%2C10%2B%2Fm0%2Fs1,0.0,12.0,29.0,0.0,2.45000004768372,2.73399996757507,0.0,0.0,1.0,0.943199992179871,0.0,44.2816009521484,0.889626264572144,,0.0,0.0
InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3,6.0,9.0,21.0,0.0,2.45000004768372,5.0310001373291,1.0,0.0,0.0,1.92599999904633,0.0,16.5062999725342,3.70947599411011,,6.0,6.0
InChI%3D1S%2FC5H10O2%2Fc1-3-4-7-5%282%296%2Fh3-4H2%2C1-2H3,0.0,6.0,17.0,3.0,1.78999996185303,1.02199995517731,0.0,7.0,0.0,-0.306300014257431,3.0,25.2385997772217,0.0938196927309036,,3.0,0.0
InChI%3D1S%2FC7H12O2%2Fc1-5%282%297%288%299-6%283%294%2Fh6H%2C1H2%2C2-4H3,0.0,8.0,21.0,3.0,2.00999999046326,1.59700000286102,0.0,9.0,0.0,1.11500000953674,3.0,35.9161987304688,1.24322497844696,,5.0,0.0
InChI%3D1S%2FC7H12O%2Fc1-3-5-6-7%288%294-2%2Fh2%2C7-8H%2C3%2C5-6H2%2C1H3,0.0,7.0,20.0,3.0,2.11999988555908,1.79100000858307,0.0,8.0,1.0,-0.558499991893768,7.0,28.360200881958,0.311922252178192,,2.0,0.0
InChI%3D1S%2FC5H13N%2Fc1-4%282%295%283%296%2Fh4-5H%2C6H2%2C1-3H3,0.0,5.0,19.0,1.0,1.89999997615814,0.972000002861023,0.0,6.0,1.0,-0.176100000739098,4.0,27.7865009307861,0.0310112107545137,,0.0,0.0