path: root/data/EPAFHM-constitutional.csv

SMILES,nAtom,LipinskiFailures,nAromBond,nAtomLC,ALogP,nAtomLAC,nHBDon,nAtomP,nRotB,MLogP,naAromAtom,AMR,ALogp2,XLogP,nB,LipinksiFailures
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, 26.0, 0.0, 6.0, 4.0, -0.0241999998688698, 0.0, 0.0, 15.0, 5.0, 1.78999996185303, 6.0, 26.8626003265381, 0.000585640023928136, 1.79900002479553, 17.0, 
InChI%3D1S%2FC12H17NO%2Fc1-4-13%285-2%2912%2814%2911-8-6-7-10%283%299-11%2Fh6-9H%2C4-5H2%2C1-3H3, 31.0, 0.0, 6.0, 7.0, 0.712599992752075, 2.0, 0.0, 9.0, 4.0, 2.55999994277954, 6.0, 32.9245986938477, 0.507798731327057, 3.76699995994568, 14.0, 
InChI%3D1S%2FC5H4ClNO%2Fc6-4-1-2-5%288%297-3-4%2Fh1-3H%2C%28H%2C7%2C8%29, 12.0, 0.0, 6.0, 0.0, 0.284000009298325, 0.0, 1.0, 7.0, 0.0, 1.67999994754791, 6.0, 8.18019962310791, 0.080655999481678, 1.03299999237061, 8.0, 
InChI%3D1S%2FC8H8Cl2%2Fc9-5-7-1-2-8%286-10%294-3-7%2Fh1-4H%2C5-6H2, 18.0, 0.0, 6.0, 2.0, 1.51180005073547, 0.0, 0.0, 6.0, 2.0, 2.11999988555908, 6.0, 20.6555995941162, 2.28553915023804, 3.7039999961853, 10.0, 
InChI%3D1S%2FC9H11N%2Fc1-2-8-10-9-6-4-3-5-7-9%2Fh2-7%2C10H%2C1%2C8H2, 21.0, 0.0, 6.0, 4.0, 0.298700004816055, 3.0, 1.0, 7.0, 3.0, 2.33999991416931, 6.0, 18.1594009399414, 0.0892216935753822, 2.98200011253357, 10.0, 
InChI%3D1S%2FC7H8O%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5%2C8H%2C1H3, 16.0, 0.0, 6.0, 0.0, 0.181700006127357, 0.0, 1.0, 7.0, 0.0, 2.11999988555908, 6.0, 8.06669998168945, 0.033014889806509, 2.36700010299683, 8.0, 
InChI%3D1S%2FC10H22O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-10H2%2C1H3, 33.0, 0.0, 0.0, 11.0, -2.7014000415802, 10.0, 1.0, 0.0, 8.0, 2.45000004768372, 0.0, 36.4682998657227, 7.29756212234497, 4.2649998664856, 10.0, 
InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2, 17.0, 0.0, 6.0, 2.0, -1.25680005550385, 0.0, 2.0, 11.0, 1.0, 1.57000005245209, 6.0, 9.67249965667725, 1.57954621315002, 1.54799997806549, 11.0, 
InChI%3D1S%2FC8H9NO%2Fc1-6%2810%297-3-2-4-8%289%295-7%2Fh2-5H%2C9H2%2C1H3, 19.0, 0.0, 6.0, 2.0, -1.00380003452301, 0.0, 1.0, 9.0, 1.0, 2.11999988555908, 6.0, 14.9925003051758, 1.00761449337006, 1.26800000667572, 10.0, 
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, 38.0, 1.0, 0.0, 19.0, 1.96410000324249, 4.0, 0.0, 4.0, 11.0, 1.57000005245209, 0.0, 77.2726974487305, 3.85768890380859, 2.00699996948242, 18.0, 
InChI%3D1S%2FC3HBr3N2%2Fc4-1-2%285%298-3%286%297-1%2Fh%28H%2C7%2C8%29, 8.0, 0.0, 5.0, 0.0, 1.99380004405975, 0.0, 2.0, 0.0, 0.0, 1.24000000953674, 0.0, 26.6382007598877, 3.97523832321167, 2.49499988555908, 8.0, 
InChI%3D1S%2FC12H24O%2Fc1-3-4-5-6-7-8-9-10-11-12%282%2913%2Fh3-11H2%2C1-2H3, 37.0, 0.0, 0.0, 13.0, -2.47180008888245, 12.0, 0.0, 1.0, 9.0, 2.67000007629395, 0.0, 44.511100769043, 6.10979509353638, 4.98999977111816, 12.0, 
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, 53.0, 1.0, 12.0, 5.0, -2.03099989891052, 3.0, 4.0, 6.0, 4.0, 2.67000007629395, 12.0, 49.9654006958008, 4.12496089935303, 5.40000009536743, 24.0, 
InChI%3D1S%2FC4H10O%2Fc1-2-3-4-5%2Fh5H%2C2-4H2%2C1H3, 15.0, 0.0, 0.0, 5.0, -0.973399996757507, 4.0, 1.0, 0.0, 2.0, 1.78999996185303, 0.0, 18.9986991882324, 0.947507560253143, 0.851000010967255, 4.0, 
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, 55.0, 1.0, 0.0, 7.0, 2.50430011749268, 5.0, 1.0, 2.0, 4.0, 3.54999995231628, 0.0, 89.8442993164062, 6.27151870727539, 7.24399995803833, 22.0, 
InChI%3D1S%2FC8H16O2%2Fc1-3-4-5-6-7-10-8%282%299%2Fh3-7H2%2C1-2H3, 26.0, 0.0, 0.0, 10.0, -1.17030000686646, 6.0, 0.0, 3.0, 6.0, 2.11999988555908, 0.0, 33.9734001159668, 1.36960208415985, 2.72900009155273, 9.0, 
InChI%3D1S%2FC4H8O%2Fc1-2-3-4-5%2Fh4H%2C2-3H2%2C1H3, 13.0, 0.0, 0.0, 5.0, -0.394300013780594, 4.0, 0.0, 1.0, 2.0, 1.78999996185303, 0.0, 19.6534004211426, 0.155472487211227, 1.15600001811981, 4.0, 
InChI%3D1S%2FC13H6Cl6O2%2Fc14-6-2-8%2816%2912%2820%294%2810%286%2918%291-5-11%2819%297%2815%293-9%2817%2913%285%2921%2Fh2-3%2C20-21H%2C1H2, 27.0, 0.0, 12.0, 0.0, 4.00139999389648, 0.0, 2.0, 7.0, 2.0, 2.00999999046326, 12.0, 43.4238014221191, 16.0112018585205, 3.76799988746643, 22.0, 
InChI%3D1S%2FC8H5F3O%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-5H, 17.0, 0.0, 6.0, 3.0, 0.905700027942657, 0.0, 0.0, 8.0, 2.0, 1.89999997615814, 6.0, 12.7285003662109, 0.820292472839355, 3.7720000743866, 12.0, 
InChI%3D1S%2FC12H8F2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H, 23.0, 0.0, 12.0, 0.0, 0.805299997329712, 0.0, 0.0, 13.0, 2.0, 2.45000004768372, 12.0, 3.36409997940063, 0.648508071899414, 4.60200023651123, 16.0, 
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, 32.0, , 6.0, 5.0, -0.927500009536743, 2.0, 2.0, 10.0, 3.0, 1.78999996185303, 6.0, 37.1203994750977, 0.860256254673004, , 16.0, 
InChI%3D1S%2FC12H10%2Fc1-3-9-4-2-6-11-8-7-10%285-1%2912%289%2911%2Fh1-6H%2C7-8H2, 22.0, 1.0, 11.0, 0.0, 0.124799996614456, 0.0, 0.0, 10.0, 0.0, 2.77999997138977, 10.0, 9.73079967498779, 0.0155750401318073, 6.24399995803833, 14.0, 
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H, 15.0, 0.0, 10.0, 0.0, -0.154100000858307, 0.0, 0.0, 7.0, 0.0, 2.23000001907349, 6.0, 1.61909997463226, 0.0237468108534813, 2.64599990844727, 10.0, 
InChI%3D1S%2FC8H19N%2Fc1-2-3-4-5-6-7-8-9%2Fh2-9H2%2C1H3, 28.0, 0.0, 0.0, 9.0, -2.41499996185303, 8.0, 1.0, 0.0, 6.0, 2.23000001907349, 0.0, 32.3026008605957, 5.83222484588623, 3.05999994277954, 8.0, 
InChI%3D1S%2FC2H6OS%2Fc1-4%282%293%2Fh1-2H3, 10.0, 0.0, 0.0, 4.0, -0.316599994897842, 0.0, 0.0, 1.0, 0.0, 1.46000003814697, 0.0, 20.5585994720459, 0.100235559046268, -0.717999994754791, 3.0, 
InChI%3D1S%2FC7H5NO4%2Fc9-4-5-3-6%2810%291-2-7%285%298%2811%2912%2Fh1-4%2C10H, 17.0, 0.0, 6.0, 2.0, -0.699299991130829, 0.0, 1.0, 12.0, 2.0, 1.67999994754791, 6.0, 11.7442998886108, 0.489020496606827, 1.37100005149841, 12.0, 
InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2, 14.0, 0.0, 6.0, 0.0, -0.749899983406067, 0.0, 1.0, 7.0, 0.0, 2.00999999046326, 6.0, 4.22209978103638, 0.562350034713745, 1.97699999809265, 7.0, 
InChI%3D1S%2FC7H10%2Fc1-2-7-4-3-6%281%295-7%2Fh1-2%2C6-7H%2C3-5H2, 17.0, 0.0, 0.0, 0.0, 0.429199993610382, 0.0, 0.0, 2.0, 0.0, 2.23000001907349, 0.0, 29.6931991577148, 0.184212639927864, 2.99699997901917, 8.0, 
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, 26.0, 0.0, 6.0, 0.0, -0.642799973487854, 0.0, 1.0, 6.0, 2.0, 2.23000001907349, 6.0, 22.4853992462158, 0.413191825151443, 3.64199995994568, 13.0, 
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, 31.0, 0.0, 0.0, 4.0, -0.300300002098083, 4.0, 2.0, 3.0, 2.0, 1.89999997615814, 0.0, 56.019401550293, 0.0901800915598869, 1.00399994850159, 14.0, 
InChI%3D1S%2FC9H12O%2Fc1-6-4-5-7%282%299%2810%298%286%293%2Fh4-5%2C10H%2C1-3H3, 22.0, 0.0, 6.0, 0.0, 1.46570003032684, 0.0, 1.0, 7.0, 0.0, 2.33999991416931, 6.0, 19.0708999633789, 2.14827656745911, 2.59100008010864, 10.0, 
InChI%3D1S%2FC7H9N%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5H%2C8H2%2C1H3, 17.0, 0.0, 6.0, 0.0, -0.107900001108646, 0.0, 1.0, 7.0, 0.0, 2.11999988555908, 6.0, 9.72420024871826, 0.0116424104198813, 2.29999995231628, 8.0, 
InChI%3D1S%2FC6H4N2O5%2Fc9-6-3-4%287%2810%2911%291-2-5%286%298%2812%2913%2Fh1-3%2C9H, 17.0, 0.0, 6.0, 3.0, -0.55349999666214, 0.0, 1.0, 13.0, 2.0, 1.35000002384186, 6.0, 8.33619976043701, 0.306362241506577, 2.46499991416931, 13.0, 
InChI%3D1S%2FC11H16O%2Fc1-4-11%282%2C3%299-5-7-10%2812%298-6-9%2Fh5-8%2C12H%2C4H2%2C1-3H3, 28.0, 0.0, 6.0, 5.0, 0.760800004005432, 4.0, 1.0, 7.0, 2.0, 2.55999994277954, 6.0, 26.5398006439209, 0.578816652297974, 4.61899995803833, 12.0, 
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H, 8.0, 0.0, 0.0, 6.0, 2.39919996261597, 2.0, 0.0, 0.0, 1.0, 1.24000000953674, 0.0, 30.7637996673584, 5.75616073608398, 2.57599997520447, 5.0, 
InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3, 9.0, 0.0, 0.0, 3.0, -0.107600003480911, 2.0, 1.0, 0.0, 0.0, 1.57000005245209, 0.0, 12.555100440979, 0.0115777598693967, -0.0759999975562096, 2.0, 
InChI%3D1S%2FC6H4Cl3N%2Fc7-3-1-2-4%2810%296%289%295%283%298%2Fh1-2H%2C10H2, 14.0, 0.0, 6.0, 0.0, 1.48300004005432, 0.0, 1.0, 7.0, 0.0, 1.67999994754791, 6.0, 21.0688991546631, 2.19928908348083, 2.05399990081787, 10.0, 
InChI%3D1S%2FC11H8O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6H%2C1H3, 21.0, 0.0, 6.0, 0.0, 0.279900014400482, 0.0, 0.0, 12.0, 0.0, 2.45000004768372, 6.0, 25.2175006866455, 0.0783440098166466, 2.14100003242493, 14.0, 
InChI%3D1S%2FC6H4N2O4%2Fc9-7%2810%295-1-2-6%284-3-5%298%2811%2912%2Fh1-4H, 16.0, 0.0, 6.0, 3.0, -0.0931999981403351, 0.0, 0.0, 12.0, 2.0, 1.46000003814697, 6.0, 5.77159976959229, 0.00868623983114958, 2.5699999332428, 12.0, 
InChI%3D1S%2FC9H15NO6%2Fc1-4-14-7%2811%2910%288%2812%2915-5-2%299%2813%2916-6-3%2Fh4-6H2%2C1-3H3, 31.0, 0.0, 0.0, 16.0, 1.8286999464035, 2.0, 0.0, 10.0, 9.0, 1.67999994754791, 0.0, 51.3498992919922, 3.3441436290741, 1.37399995326996, 15.0, 
InChI%3D1S%2FC10H15BrO%2Fc1-9%282%296-4-5-10%289%2C3%298%2812%297%286%2911%2Fh6-7H%2C4-5H2%2C1-3H3, 27.0, 0.0, 0.0, 0.0, 1.66620004177094, 0.0, 0.0, 1.0, 0.0, 2.33999991416931, 0.0, 51.1352005004883, 2.77622246742249, 2.53099989891052, 13.0, 
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, 27.0, 0.0, 12.0, 0.0, 1.02419996261597, 0.0, 2.0, 7.0, 2.0, 2.45000004768372, 12.0, 20.9613990783691, 1.0489856004715, 3.3840000629425, 18.0, 
InChI%3D1S%2FC9H20O%2Fc1-2-3-4-5-6-7-8-9-10%2Fh10H%2C2-9H2%2C1H3, 30.0, 0.0, 0.0, 10.0, -2.41339993476868, 9.0, 1.0, 0.0, 7.0, 2.33999991416931, 0.0, 33.5567016601562, 5.82449960708618, 3.69600009918213, 9.0, 
InChI%3D1S%2FC7H12O2%2Fc1-4-7%288%299-5-6%282%293%2Fh4%2C6H%2C1%2C5H2%2C2-3H3, 21.0, 0.0, 0.0, 9.0, 1.09420001506805, 3.0, 0.0, 5.0, 4.0, 2.00999999046326, 0.0, 35.3437995910645, 1.1972736120224, 1.61099994182587, 8.0, 
InChI%3D1S%2FC10H16O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7H%2C4-6H2%2C1-3H3, 27.0, 0.0, 0.0, 0.0, 0.969299972057343, 0.0, 0.0, 2.0, 0.0, 2.45000004768372, 0.0, 43.7625007629395, 0.939542472362518, 2.12700009346008, 12.0, 
InChI%3D1S%2FC7H5NO3%2Fc9-5-6-1-3-7%284-2-6%298%2810%2911%2Fh1-5H, 16.0, 0.0, 6.0, 2.0, -0.238999992609024, 0.0, 0.0, 11.0, 2.0, 1.78999996185303, 6.0, 9.17969989776611, 0.0571210011839867, 2.33400011062622, 11.0, 
InChI%3D1S%2FC7H6BrNO%2Fc8-6-3-1-2-5%284-6%297%289%2910%2Fh1-4H%2C%28H2%2C9%2C10%29, 16.0, 0.0, 6.0, 2.0, 0.807200014591217, 0.0, 2.0, 9.0, 1.0, 1.89999997615814, 6.0, 17.0755004882812, 0.651571810245514, 2.87299990653992, 10.0, 
InChI%3D1S%2FC3H10N2%2Fc1-3%285%292-4%2Fh3H%2C2%2C4-5H2%2C1H3, 15.0, 0.0, 0.0, 5.0, -1.48730003833771, 3.0, 2.0, 0.0, 1.0, 1.57000005245209, 0.0, 22.4529991149902, 2.21206140518188, -0.882000029087067, 4.0, 
InChI%3D1S%2FC12H8BrNO%2Fc13-11-5-3-9%284-6-11%2912%2815%2910-2-1-7-14-8-10%2Fh1-8H, 23.0, 0.0, 12.0, 1.0, 0.625, 0.0, 0.0, 14.0, 2.0, 2.45000004768372, 12.0, 13.9450998306274, 0.390625, 3.44899988174438, 16.0, 
InChI%3D1S%2FC6H5ClO%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C8H, 13.0, 0.0, 6.0, 0.0, 0.284000009298325, 0.0, 1.0, 7.0, 0.0, 1.89999997615814, 6.0, 8.18019962310791, 0.080655999481678, 1.92900002002716, 8.0, 
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, 42.0, 1.0, 6.0, 7.0, -1.20840001106262, 4.0, 0.0, 12.0, 10.0, 2.77999997138977, 6.0, 45.4515991210938, 1.46023058891296, 5.03399991989136, 20.0, 
InChI%3D1S%2FN3.Na%2Fc1-3-2%3B%2Fq-1%3B%2B1, 6.0, 0.0, 0.0, 3.0, , 0.0, 1.0, 3.0, 0.0, 1.01999998092651, 0.0, , , -1.67900002002716, 2.0, 
InChI%3D1S%2FC10H15N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh5-9H%2C3-4H2%2C1-2H3, 26.0, 0.0, 6.0, 5.0, 0.7185999751091, 2.0, 0.0, 7.0, 3.0, 2.45000004768372, 6.0, 22.878999710083, 0.516385972499847, 3.45199990272522, 11.0, 
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, 36.0, 0.0, 0.0, 16.0, -0.953999996185303, 4.0, 0.0, 8.0, 10.0, 2.33999991416931, 0.0, 55.6199989318848, 0.910116016864777, 2.92600011825562, 15.0, 
InChI%3D1S%2FC5H4ClNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H, 12.0, 0.0, 6.0, 0.0, 0.0733999982476234, 0.0, 1.0, 7.0, 0.0, 1.67999994754791, 6.0, 8.66679954528809, 0.00538755999878049, 0.917999982833862, 8.0, 
InChI%3D1S%2FC13H29N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14%2Fh2-14H2%2C1H3, 43.0, 2.0, 0.0, 14.0, -3.85500001907349, 13.0, 1.0, 0.0, 11.0, 2.77999997138977, 0.0, 46.8605995178223, 14.8610248565674, 5.90500020980835, 13.0, 
InChI%3D1S%2FC8H10N2O3%2Fc1-2-13-6-3-4-7%289%298%285-6%2910%2811%2912%2Fh3-5H%2C2%2C9H2%2C1H3, 23.0, 0.0, 6.0, 3.0, -0.597899973392487, 2.0, 1.0, 11.0, 3.0, 1.78999996185303, 6.0, 18.7175006866455, 0.357484400272369, 2.49000000953674, 13.0, 
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-, 40.0, 0.0, 6.0, 6.0, -0.949400007724762, 5.0, 0.0, 15.0, 4.0, 2.89000010490417, 6.0, 53.6348991394043, 0.901360332965851, 3.16700005531311, 23.0, 
InChI%3D1S%2FC3H8O%2Fc1-3%282%294%2Fh3-4H%2C1-2H3, 12.0, 0.0, 0.0, 4.0, -0.408100008964539, 3.0, 1.0, 0.0, 0.0, 1.67999994754791, 0.0, 17.7598991394043, 0.166545614600182, 0.38400000333786, 3.0, 
InChI%3D1S%2FC12H27N%2Fc1-3-5-7-9-11-13-12-10-8-6-4-2%2Fh13H%2C3-12H2%2C1-2H3, 40.0, 0.0, 0.0, 13.0, -2.59859991073608, 6.0, 1.0, 0.0, 10.0, 2.67000007629395, 0.0, 47.8146018981934, 6.75272178649902, 4.80000019073486, 12.0, 
InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-4H, 16.0, 0.0, 6.0, 3.0, 1.1327999830246, 0.0, 0.0, 8.0, 1.0, 1.89999997615814, 6.0, 12.6331996917725, 1.28323578834534, 3.46900010108948, 12.0, 
InChI%3D1S%2FC3H6O2%2Fc1-3%284%295-2%2Fh1-2H3, 11.0, 0.0, 0.0, 5.0, 0.0210999995470047, 0.0, 0.0, 3.0, 1.0, 1.57000005245209, 0.0, 17.4127998352051, 0.000445209996541962, 0.24099999666214, 4.0, 
InChI%3D1S%2FC23H22O6%2Fc1-11%282%2916-8-14-15%2828-16%296-5-12-22%2824%2921-13-7-18%2825-3%2919%2826-4%299-17%2813%2927-10-20%2821%2929-23%2812%2914%2Fh5-7%2C9%2C16%2C20-21H%2C1%2C8%2C10H2%2C2-4H3%2Ft16-%2C20-%2C21%2B%2Fm1%2Fs1, 51.0, 0.0, 12.0, 2.0, 0.152700006961823, 0.0, 0.0, 10.0, 3.0, 3.32999992370605, 12.0, 59.2591018676758, 0.0233172904700041, 2.07599997520447, 33.0, 
InChI%3D1S%2FC6H10%2Fc1-5%282%296%283%294%2Fh1%2C3H2%2C2%2C4H3, 16.0, 0.0, 0.0, 6.0, 2.30780005455017, 4.0, 0.0, 4.0, 1.0, 2.11999988555908, 0.0, 28.8584003448486, 5.32594060897827, 2.74000000953674, 5.0, 
InChI%3D1S%2FC7H3I2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H, 14.0, 0.0, 6.0, 2.0, 2.41459989547729, 0.0, 1.0, 9.0, 0.0, 1.78999996185303, 6.0, 36.6556015014648, 5.83029317855835, 2.44899988174438, 11.0, 
InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3, 11.0, 0.0, 0.0, 5.0, 1.50109994411469, 3.0, 0.0, 0.0, 1.0, 1.57000005245209, 0.0, 25.2399997711182, 2.25330114364624, 2.03699994087219, 4.0, 
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H, 12.0, 0.0, 6.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 2.11999988555908, 6.0, 0.0, 0.0, 4.06199979782104, 6.0, 
InChI%3D1S%2FC8H14O%2Fc1-3-5-6-7-8%289%294-2%2Fh2%2C8-9H%2C3%2C5-7H2%2C1H3, 23.0, 0.0, 0.0, 9.0, -0.846499979496002, 8.0, 1.0, 2.0, 4.0, 2.23000001907349, 0.0, 31.2717990875244, 0.716562271118164, 2.35999989509583, 8.0, 
InChI%3D1S%2FC7H14O%2Fc1-4-6%282%297%283%295-8%2Fh5-7H%2C4H2%2C1-3H3, 22.0, 0.0, 0.0, 8.0, -0.000899999984540045, 5.0, 0.0, 1.0, 3.0, 2.11999988555908, 0.0, 32.9935989379883, 8.10000017281709e-07, 2.52600002288818, 7.0, 
InChI%3D1S%2FC9H10O4%2Fc1-12-6-3-8%2811%297%285-10%299%284-6%2913-2%2Fh3-5%2C11H%2C1-2H3, 23.0, 0.0, 6.0, 2.0, -0.75629997253418, 0.0, 1.0, 11.0, 3.0, 2.00999999046326, 6.0, 23.4901008605957, 0.571989715099335, 1.02499997615814, 13.0, 
InChI%3D1S%2F4C4H9.Sn%2Fc4%2A1-3-4-2%3B%2Fh4%2A1%2C3-4H2%2C2H3%3B, 61.0, 1.0, 0.0, 4.0, -1.89359998703003, 4.0, 0.0, 0.0, 4.0, 3.10999989509583, 0.0, 70.4823989868164, 3.58572101593018, 10.46399974823, 12.0, 
InChI%3D1S%2FC7H7ClO%2Fc1-5-4-6%289%292-3-7%285%298%2Fh2-4%2C9H%2C1H3, 16.0, 0.0, 6.0, 0.0, 0.925999999046326, 0.0, 1.0, 7.0, 0.0, 2.00999999046326, 6.0, 13.6822996139526, 0.857475996017456, 2.04099988937378, 9.0, 
InChI%3D1S%2FC2HCl5%2Fc3-1%284%292%285%2C6%297%2Fh1H, 8.0, 0.0, 0.0, 7.0, 2.88779997825623, 2.0, 0.0, 0.0, 1.0, 1.12999999523163, 0.0, 36.3208999633789, 8.33938884735107, 3.22900009155273, 6.0, 
InChI%3D1S%2FC6H12N2%2Fc1-2-8-5-3-7%281%294-6-8%2Fh1-6H2, 20.0, 0.0, 0.0, 0.0, 0.096000000834465, 0.0, 0.0, 0.0, 0.0, 1.89999997615814, 0.0, 34.0691986083984, 0.0092160003259778, -0.504000008106232, 9.0, 
InChI%3D1S%2FC12H10O3%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8%2C13-14H, 25.0, 0.0, 12.0, 0.0, -1.07469999790192, 0.0, 2.0, 15.0, 2.0, 2.45000004768372, 12.0, 6.74830007553101, 1.15498006343842, 2.75799989700317, 16.0, 
InChI%3D1S%2FC6H14N2O%2Fc9-6-5-8-3-1-7-2-4-8%2Fh7%2C9H%2C1-6H2, 23.0, 0.0, 0.0, 3.0, -0.797900021076202, 2.0, 2.0, 0.0, 2.0, 1.78999996185303, 0.0, 37.0358009338379, 0.636644423007965, -1.24199998378754, 9.0, 
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, 27.0, 1.0, 6.0, 5.0, -0.750299990177155, 5.0, 0.0, 6.0, 4.0, 2.67000007629395, 6.0, 19.4988994598389, 0.562950074672699, 6.66099977493286, 11.0, 
InChI%3D1S%2FC7H7NO2%2Fc8-7%2810%295-3-1-2-4-6%285%299%2Fh1-4%2C9H%2C%28H2%2C8%2C10%29, 17.0, 0.0, 6.0, 3.0, -0.541899979114532, 0.0, 3.0, 10.0, 1.0, 1.89999997615814, 6.0, 11.0410003662109, 0.293655604124069, 2.1159999370575, 10.0, 
InChI%3D1S%2FC5H10O%2Fc1-4%282%295%283%296%2Fh4H%2C1-3H3, 16.0, 0.0, 0.0, 6.0, 0.480399996042252, 4.0, 0.0, 1.0, 1.0, 1.89999997615814, 0.0, 25.8570003509521, 0.23078416287899, 0.731000006198883, 5.0, 
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, 30.0, 0.0, 12.0, 4.0, -0.497999995946884, 0.0, 0.0, 6.0, 4.0, 2.77999997138977, 12.0, 18.589599609375, 0.248004004359245, 4.96799993515015, 17.0, 
InChI%3D1S%2FC8H19N%2Fc1-3-4-5-6-7-8%282%299%2Fh8H%2C3-7%2C9H2%2C1-2H3, 28.0, 0.0, 0.0, 9.0, -2.13770008087158, 8.0, 1.0, 0.0, 5.0, 2.23000001907349, 0.0, 33.975399017334, 4.56976127624512, 2.95099997520447, 8.0, 
InChI%3D1S%2FC6H11BrO%2Fc7-5-6-3-1-2-4-8-6%2Fh6H%2C1-5H2, 19.0, 0.0, 0.0, 2.0, -0.156499996781349, 0.0, 0.0, 0.0, 1.0, 1.89999997615814, 0.0, 31.7752990722656, 0.0244922507554293, 2.0239999294281, 8.0, 
InChI%3D1S%2FC2H3F3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2, 9.0, 0.0, 0.0, 6.0, 0.649399995803833, 2.0, 1.0, 0.0, 1.0, 1.24000000953674, 0.0, 13.7114000320435, 0.42172035574913, 0.925999999046326, 5.0, 
InChI%3D1S%2FC11H16O%2Fc1-11%282%2C12%299-8-10-6-4-3-5-7-10%2Fh3-7%2C12H%2C8-9H2%2C1-2H3, 28.0, 0.0, 6.0, 6.0, 0.451799988746643, 4.0, 1.0, 6.0, 3.0, 2.55999994277954, 6.0, 25.6497993469238, 0.204123243689537, 4.63500022888184, 12.0, 
InChI%3D1S%2FC6H5ClO2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3%2C8-9H, 14.0, 0.0, 6.0, 0.0, -0.176300004124641, 0.0, 2.0, 8.0, 0.0, 1.78999996185303, 6.0, 10.7447996139526, 0.0310816895216703, 1.39499998092651, 9.0, 
InChI%3D1S%2FC6H10%2Fc1-3-5-6-4-2%2Fh3-6H%2C1-2H3, 16.0, 0.0, 0.0, 6.0, 1.81459999084473, 6.0, 0.0, 4.0, 1.0, 2.11999988555908, 0.0, 32.1021995544434, 3.29277324676514, 3.00399994850159, 5.0, 
InChI%3D1S%2FC3H6O%2Fc1-2-3-4%2Fh2%2C4H%2C1%2C3H2, 10.0, 0.0, 0.0, 4.0, 0.258799999952316, 3.0, 1.0, 2.0, 1.0, 1.67999994754791, 0.0, 17.423999786377, 0.0669774413108826, 0.11599999666214, 3.0, 
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, 17.0, 0.0, 12.0, 4.0, , 0.0, 0.0, 6.0, 3.0, 2.23000001907349, 6.0, , , 0.211999997496605, 18.0, 
InChI%3D1S%2FC8H19NO%2Fc1-7%282%299%285-6-10%298%283%294%2Fh7-8%2C10H%2C5-6H2%2C1-4H3, 29.0, 0.0, 0.0, 10.0, -0.319499999284744, 2.0, 1.0, 0.0, 4.0, 2.11999988555908, 0.0, 45.2775993347168, 0.102080248296261, 1.12000000476837, 9.0, 
InChI%3D1S%2FC10H14O%2Fc1-2-3-9-11-10-7-5-4-6-8-10%2Fh4-8H%2C2-3%2C9H2%2C1H3, 25.0, 0.0, 6.0, 5.0, -0.667200028896332, 4.0, 0.0, 7.0, 4.0, 2.45000004768372, 6.0, 18.0531997680664, 0.445155829191208, 3.91300010681152, 11.0, 
InChI%3D1S%2FC8H7BrO3%2Fc1-12-7-3-5%284-10%292-6%289%298%287%2911%2Fh2-4%2C11H%2C1H3, 19.0, 0.0, 6.0, 2.0, 0.184300005435944, 0.0, 1.0, 10.0, 2.0, 1.89999997615814, 6.0, 24.7733993530273, 0.033966489136219, 1.47399997711182, 12.0, 
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, 29.0, 0.0, 6.0, 5.0, 0.0658999979496002, 2.0, 1.0, 10.0, 4.0, 2.33999991416931, 6.0, 31.7374992370605, 0.00434280978515744, 2.35800004005432, 14.0, 
InChI%3D1S%2FC9H11NO%2Fc1-2-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3, 22.0, 0.0, 6.0, 4.0, -0.927600026130676, 3.0, 1.0, 9.0, 2.0, 2.23000001907349, 6.0, 20.0160007476807, 0.860441744327545, 1.52100002765656, 11.0, 
InChI%3D1S%2FC8H11NO%2Fc10-6-2-4-8-3-1-5-9-7-8%2Fh1%2C3%2C5%2C7%2C10H%2C2%2C4%2C6H2, 21.0, 0.0, 6.0, 4.0, -0.674300014972687, 3.0, 1.0, 6.0, 3.0, 2.11999988555908, 6.0, 15.0537996292114, 0.454680502414703, 1.09599995613098, 10.0, 
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, 36.0, 0.0, 6.0, 12.0, 0.699699997901917, 3.0, 0.0, 6.0, 8.0, 2.55999994277954, 6.0, 40.940601348877, 0.489580094814301, 4.87900018692017, 18.0, 
InChI%3D1S%2FC8H16O2%2Fc1-3-5-6-7-8%289%2910-4-2%2Fh3-7H2%2C1-2H3, 26.0, 0.0, 0.0, 10.0, -0.516300022602081, 6.0, 0.0, 3.0, 6.0, 2.11999988555908, 0.0, 35.464900970459, 0.266565680503845, 2.62400007247925, 9.0, 
InChI%3D1S%2FC8H10O2%2Fc1-9-7-3-5-8%2810-2%296-4-7%2Fh3-6H%2C1-2H3, 20.0, 0.0, 6.0, 2.0, -0.10360000282526, 0.0, 0.0, 8.0, 2.0, 2.11999988555908, 6.0, 14.6316003799438, 0.0107329599559307, 1.90799999237061, 10.0, 
InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh1%2C4H%2C3H2, 8.0, 0.0, 0.0, 4.0, 0.316199988126755, 3.0, 1.0, 2.0, 0.0, 1.67999994754791, 0.0, 15.0410003662109, 0.0999824404716492, -0.231000006198883, 3.0, 
InChI%3D1S%2FC11H15NO%2Fc1-3-12%284-2%2911-7-5-10%289-13%296-8-11%2Fh5-9H%2C3-4H2%2C1-2H3, 28.0, 0.0, 6.0, 5.0, 0.526199996471405, 0.0, 0.0, 9.0, 4.0, 2.45000004768372, 6.0, 29.1728992462158, 0.276886433362961, 2.89199995994568, 13.0, 
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, 52.0, 1.0, 0.0, 3.0, 2.14840006828308, 3.0, 1.0, 4.0, 1.0, 3.44000005722046, 0.0, 90.2817993164062, 4.61562252044678, 5.77600002288818, 24.0, 
InChI%3D1S%2FC14H11N%2Fc1-2-15-13-9-5-3-7-11%2813%2912-8-4-6-10-14%2812%2915%2Fh2-10H%2C1H2, 26.0, 1.0, 15.0, 2.0, 0.199699997901917, 2.0, 0.0, 15.0, 1.0, 2.89000010490417, 12.0, 12.2868995666504, 0.0398800894618034, 5.49200010299683, 17.0, 
InChI%3D1S%2FC9H9Cl%2Fc1-2-8-4-3-5-9%286-8%297-10%2Fh2-6H%2C1%2C7H2, 19.0, 0.0, 6.0, 2.0, 1.46340000629425, 0.0, 0.0, 8.0, 2.0, 2.33999991416931, 6.0, 20.4750003814697, 2.14153957366943, 4.77500009536743, 10.0, 
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2, 5.0, 0.0, 0.0, 3.0, 1.07290005683899, 0.0, 0.0, 0.0, 0.0, 1.35000002384186, 0.0, 16.4382991790771, 1.15111446380615, 1.51900005340576, 2.0, 
InChI%3D1S%2FC11H9N%2Fc1-2-4-10%285-3-1%2911-6-8-12-9-7-11%2Fh1-9H, 21.0, 0.0, 12.0, 0.0, 0.0, 0.0, 0.0, 12.0, 1.0, 2.55999994277954, 12.0, 0.0, 0.0, 4.63000011444092, 13.0, 
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, 32.0, 1.0, 6.0, 5.0, 1.79139995574951, 0.0, 1.0, 10.0, 3.0, 2.45000004768372, 6.0, 34.3709983825684, 3.20911407470703, 5.01399993896484, 15.0, 
InChI%3D1S%2FC10H10N2O2S%2Fc1-9-2-4-10%285-3-9%2915%2813%2C14%2912-7-6-11-8-12%2Fh2-8H%2C1H3, 25.0, 0.0, 11.0, 2.0, -0.29449999332428, 0.0, 1.0, 10.0, 2.0, 2.00999999046326, 6.0, 16.6436996459961, 0.0867302492260933, 2.10999989509583, 16.0, 
InChI%3D1S%2FC8H6ClNO4%2Fc1-14-8%2811%296-3-2-5%289%294-7%286%2910%2812%2913%2Fh2-4H%2C1H3, 20.0, 0.0, 6.0, 4.0, 0.708899974822998, 0.0, 0.0, 12.0, 3.0, 1.67999994754791, 6.0, 20.4897994995117, 0.502539217472076, 2.33699989318848, 14.0, 
InChI%3D1S%2FC7H5ClN2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-3H%2C10H2, 15.0, 0.0, 6.0, 2.0, 0.0291000008583069, 0.0, 1.0, 9.0, 0.0, 1.89999997615814, 6.0, 16.0363006591797, 0.000846809998620301, 1.21000003814697, 10.0, 
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2, 8.0, 0.0, 0.0, 4.0, 1.51180005073547, 2.0, 0.0, 0.0, 1.0, 1.46000003814697, 0.0, 20.6555995941162, 2.28553915023804, 1.74000000953674, 3.0, 
InChI%3D1S%2FC7H4ClFO%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-4H, 14.0, 0.0, 6.0, 2.0, 1.03159999847412, 0.0, 0.0, 8.0, 1.0, 1.89999997615814, 6.0, 12.7819995880127, 1.06419861316681, 2.50200009346008, 10.0, 
InChI%3D1S%2FC10H18O4%2Fc1-3-13-9%2811%297-5-6-8-10%2812%2914-4-2%2Fh3-8H2%2C1-2H3, 32.0, 0.0, 0.0, 14.0, 0.0167999994009733, 6.0, 0.0, 3.0, 9.0, 2.11999988555908, 0.0, 47.4860000610352, 0.000282240012893453, 1.49399995803833, 13.0, 
InChI%3D1S%2FC9H7NO2%2Fc1-12-9%2811%298-4-2-7%286-10%293-5-8%2Fh2-5H%2C1H3, 19.0, 0.0, 6.0, 4.0, 0.0458999983966351, 0.0, 0.0, 11.0, 2.0, 2.11999988555908, 6.0, 18.1870002746582, 0.0021068099886179, 1.70200002193451, 12.0, 
InChI%3D1S%2FC7H12O%2Fc8-7-4-5-1-2-6%287%293-5%2Fh5-8H%2C1-4H2%2Ft5-%2C6%2B%2C7%2B%2Fm0%2Fs1, 20.0, 0.0, 0.0, 0.0, -0.293700009584427, 0.0, 1.0, 0.0, 0.0, 2.11999988555908, 0.0, 29.7889003753662, 0.0862596929073334, 1.22500002384186, 9.0, 
InChI%3D1S%2FC6H15N3%2Fc7-1-4-9-5-2-8-3-6-9%2Fh8H%2C1-7H2, 24.0, 0.0, 0.0, 3.0, -1.08749997615814, 2.0, 2.0, 0.0, 2.0, 1.78999996185303, 0.0, 38.6932983398438, 1.18265628814697, -1.30900001525879, 9.0, 
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, 28.0, 0.0, 12.0, 3.0, -1.30130004882812, 0.0, 2.0, 17.0, 3.0, 2.45000004768372, 12.0, 13.0783996582031, 1.69338166713715, 3.33299994468689, 18.0, 
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, 38.0, 0.0, 6.0, 8.0, 0.475199997425079, 2.0, 0.0, 9.0, 7.0, 2.55999994277954, 6.0, 49.869800567627, 0.225815042853355, 3.94099998474121, 18.0, 
InChI%3D1S%2FC3H7Br%2Fc1-2-3-4%2Fh2-3H2%2C1H3, 11.0, 0.0, 0.0, 4.0, 0.663699984550476, 3.0, 0.0, 0.0, 1.0, 1.67999994754791, 0.0, 22.1215991973877, 0.440497696399689, 2.09400010108948, 3.0, 
InChI%3D1S%2FC6H15NO%2Fc1-3-7%284-2%295-6-8%2Fh8H%2C3-6H2%2C1-2H3, 23.0, 0.0, 0.0, 8.0, 0.28150001168251, 2.0, 1.0, 0.0, 4.0, 1.89999997615814, 0.0, 34.8680000305176, 0.0792422518134117, 0.200000002980232, 7.0, 
InChI%3D1S%2FC4H8O%2Fc1-3-4%282%295%2Fh3H2%2C1-2H3, 13.0, 0.0, 0.0, 5.0, -0.16779999434948, 4.0, 0.0, 1.0, 1.0, 1.78999996185303, 0.0, 21.2182998657227, 0.0281568393111229, 0.437999993562698, 4.0, 
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3, 15.0, 0.0, 0.0, 6.0, -0.125900000333786, 4.0, 1.0, 3.0, 1.0, 1.67999994754791, 0.0, 24.7532005310059, 0.0158508103340864, 0.680999994277954, 5.0, 
InChI%3D1S%2FC13H10O%2Fc14-13%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H, 24.0, 1.0, 12.0, 2.0, -0.263799995183945, 0.0, 0.0, 14.0, 2.0, 2.77999997138977, 12.0, 5.34600019454956, 0.0695904418826103, 5.67700004577637, 15.0, 
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, 32.0, 0.0, 6.0, 9.0, 0.285800009965897, 2.0, 0.0, 6.0, 6.0, 2.23000001907349, 6.0, 33.869499206543, 0.0816816389560699, 3.47499990463257, 15.0, 
InChI%3D1S%2FC9H12O%2Fc1-2-3-8-4-6-9%2810%297-5-8%2Fh4-7%2C10H%2C2-3H2%2C1H3, 22.0, 0.0, 6.0, 3.0, -0.634599983692169, 3.0, 1.0, 7.0, 2.0, 2.33999991416931, 6.0, 16.2402992248535, 0.402717173099518, 3.50500011444092, 10.0, 
InChI%3D1S%2FC7H5ClO%2Fc8-7-3-1-6%285-9%292-4-7%2Fh1-5H, 14.0, 0.0, 6.0, 2.0, 0.551900029182434, 0.0, 0.0, 8.0, 1.0, 2.00999999046326, 6.0, 11.9095001220703, 0.304593622684479, 2.54299998283386, 9.0, 
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3, 18.0, 0.0, 0.0, 6.0, 0.981800019741058, 0.0, 0.0, 0.0, 1.0, 1.89999997615814, 0.0, 26.8162994384766, 0.963931262493134, 1.32000005245209, 5.0, 
InChI%3D1S%2FC6H7ClN.HI%2Fc1-8-5-3-2-4-6%288%297%3B%2Fh2-5H%2C1H3%3B1H%2Fq%2B1%3B%2Fp-1, 17.0, 0.0, 6.0, 0.0, , 0.0, 1.0, 0.0, 0.0, 1.78999996185303, 0.0, , , 2.8989999294281, 8.0, 
InChI%3D1S%2FC7H5NO3%2Fc9-5-6-3-1-2-4-7%286%298%2810%2911%2Fh1-5H, 16.0, 0.0, 6.0, 2.0, -0.238999992609024, 0.0, 0.0, 11.0, 2.0, 1.78999996185303, 6.0, 9.17969989776611, 0.0571210011839867, 2.54500007629395, 11.0, 
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2, 13.0, 0.0, 0.0, 0.0, -0.706900000572205, 0.0, 0.0, 0.0, 0.0, 1.78999996185303, 0.0, 16.86669921875, 0.499707609415054, 0.526000022888184, 5.0, 
InChI%3D1S%2FC10H18O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-7%2C10H2%2C1H3, 29.0, 0.0, 0.0, 11.0, -1.1845999956131, 10.0, 1.0, 2.0, 5.0, 2.45000004768372, 0.0, 41.1623001098633, 1.40327715873718, 3.67700004577637, 10.0, 
InChI%3D1S%2FC3H6O%2Fc1-3%282%294%2Fh1-2H3, 10.0, 0.0, 0.0, 4.0, -0.244000002741814, 3.0, 0.0, 1.0, 0.0, 1.67999994754791, 0.0, 16.1947994232178, 0.0595359988510609, 0.185000002384186, 3.0, 
InChI%3D1S%2FC7H4ClNO3%2Fc8-7-2-1-6%289%2811%2912%293-5%287%294-10%2Fh1-4H, 16.0, 0.0, 6.0, 2.0, 0.505299985408783, 0.0, 0.0, 11.0, 2.0, 1.67999994754791, 6.0, 14.7952995300293, 0.255328088998795, 2.4300000667572, 12.0, 
InChI%3D1S%2FC10H17N%2Fc11-10-4-7-1-8%285-10%293-9%282-7%296-10%2Fh7-9H%2C1-6%2C11H2, 28.0, 0.0, 0.0, 0.0, -1.5786999464035, 0.0, 1.0, 0.0, 0.0, 2.45000004768372, 0.0, 44.1259002685547, 2.4922935962677, 2.31200003623962, 13.0, 
InChI%3D1S%2FC4H11N%2Fc1-2-3-4-5%2Fh2-5H2%2C1H3, 16.0, 0.0, 0.0, 5.0, -1.26300001144409, 4.0, 1.0, 0.0, 2.0, 1.78999996185303, 0.0, 20.6562004089355, 1.59516894817352, 0.783999979496002, 4.0, 
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2, 14.0, 0.0, 6.0, 0.0, -0.00559999980032444, 0.0, 1.0, 7.0, 0.0, 1.89999997615814, 6.0, 9.83769989013672, 3.13599994115066e-05, 1.86199998855591, 8.0, 
InChI%3D1S%2FC8H18S2%2Fc1-3-5-9-7-8-10-6-4-2%2Fh3-8H2%2C1-2H3, 28.0, 0.0, 0.0, 10.0, 0.754199981689453, 3.0, 0.0, 0.0, 7.0, 2.11999988555908, 0.0, 52.0564002990723, 0.568817615509033, 3.71399998664856, 9.0, 
InChI%3D1S%2FC7H9N%2Fc1-2-7-5-3-4-6-8-7%2Fh3-6H%2C2H2%2C1H3, 17.0, 0.0, 6.0, 2.0, -0.236699998378754, 2.0, 0.0, 6.0, 1.0, 2.11999988555908, 6.0, 8.81029987335205, 0.056026890873909, 2.25500011444092, 8.0, 
InChI%3D1S%2FC7H6N2O3%2Fc8-7%2810%295-1-3-6%284-2-5%299%2811%2912%2Fh1-4H%2C%28H2%2C8%2C10%29, 18.0, 0.0, 6.0, 3.0, -0.681400001049042, 0.0, 1.0, 12.0, 2.0, 1.67999994754791, 6.0, 10.3273000717163, 0.464305967092514, 1.19200003147125, 12.0, 
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, 29.0, 0.0, 6.0, 0.0, -1.42519998550415, 0.0, 1.0, 6.0, 1.0, 2.67000007629395, 6.0, 21.9519004821777, 2.03119492530823, 4.53299999237061, 14.0, 
InChI%3D1S%2FC4H3BrS%2Fc5-4-1-2-6-3-4%2Fh1-3H, 9.0, 0.0, 5.0, 0.0, 1.47940003871918, 0.0, 0.0, 5.0, 0.0, 1.67999994754791, 5.0, 16.392599105835, 2.18862438201904, 2.55299997329712, 6.0, 
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, 31.0, 1.0, 18.0, 0.0, 0.0, 0.0, 0.0, 18.0, 2.0, 3.22000002861023, 18.0, 0.0, 0.0, 7.36399984359741, 20.0, 
InChI%3D1S%2FC10H20O%2Fc1-3-4-5-6-7-8-9-10%282%2911%2Fh3-9H2%2C1-2H3, 31.0, 0.0, 0.0, 11.0, -1.89579999446869, 10.0, 0.0, 1.0, 7.0, 2.45000004768372, 0.0, 38.6879005432129, 3.59405755996704, 3.85199999809265, 10.0, 
InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3, 7.0, 0.0, 0.0, 3.0, -0.182500004768372, 2.0, 0.0, 1.0, 0.0, 1.57000005245209, 0.0, 11.7182998657227, 0.033306248486042, 0.333999991416931, 2.0, 
InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%288%296%2811%295%2810%294%282%299%2Fh1%2C11H, 13.0, 0.0, 6.0, 0.0, 2.51690006256104, 0.0, 1.0, 7.0, 0.0, 1.57000005245209, 6.0, 25.0270004272461, 6.33478546142578, 2.21700000762939, 11.0, 
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, 31.0, 0.0, 6.0, 5.0, 1.09500002861023, 0.0, 1.0, 11.0, 3.0, 2.23000001907349, 6.0, 35.0377006530762, 1.19902503490448, 2.50799989700317, 15.0, 
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, 17.0, 0.0, 6.0, 3.0, -0.479600012302399, 0.0, 2.0, 12.0, 2.0, 1.67999994754791, 6.0, 14.4385995864868, 0.230016157031059, 0.649999976158142, 12.0, 
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, 47.0, 1.0, 0.0, 18.0, 1.19749999046326, 2.0, 0.0, 0.0, 12.0, 2.33999991416931, 0.0, 70.8125, 1.43400621414185, 1.34300005435944, 17.0, 
InChI%3D1S%2FC8H6BrNO5%2Fc1-15-8-6%2810%2813%2914%294%283-11%292-5%289%297%288%2912%2Fh2-3%2C12H%2C1H3, 21.0, 0.0, 6.0, 2.0, 0.137700006365776, 0.0, 1.0, 13.0, 3.0, 1.57000005245209, 6.0, 27.659200668335, 0.0189612898975611, 1.36099994182587, 15.0, 
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, 40.0, 0.0, 6.0, 9.0, 2.5181999206543, 2.0, 0.0, 11.0, 7.0, 2.00999999046326, 6.0, 58.980899810791, 6.34133100509644, 4.2960000038147, 19.0, 
InChI%3D1S%2FC6H10O%2Fc7-6-4-2-1-3-5-6%2Fh1-5H2, 17.0, 0.0, 0.0, 0.0, -1.05820000171661, 0.0, 0.0, 2.0, 0.0, 2.00999999046326, 0.0, 23.17919921875, 1.11978721618652, 0.920000016689301, 7.0, 
InChI%3D1S%2FC10H11BrO3%2Fc1-13-7-3-4-10%2814-2%298%285-7%299%2812%296-11%2Fh3-5H%2C6H2%2C1-2H3, 25.0, 0.0, 6.0, 4.0, 0.319599986076355, 2.0, 0.0, 10.0, 4.0, 2.11999988555908, 6.0, 33.1386985778809, 0.102144159376621, 1.98500001430511, 14.0, 
InChI%3D1S%2FC7H7NO%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H%2C%28H2%2C8%2C9%29, 16.0, 0.0, 6.0, 3.0, -0.0816000029444695, 0.0, 2.0, 9.0, 1.0, 2.00999999046326, 6.0, 8.47640037536621, 0.00665856013074517, 3.07200002670288, 9.0, 
InChI%3D1S%2FC6H14O4%2Fc7-1-3-9-5-6-10-4-2-8%2Fh7-8H%2C1-6H2, 24.0, 0.0, 0.0, 10.0, -1.15919995307922, 2.0, 2.0, 0.0, 7.0, 1.67999994754791, 0.0, 36.6405982971191, 1.34374463558197, -1.58800005912781, 9.0, 
InChI%3D1S%2FC12H22O4%2Fc1-3-5-9-15-11%2813%297-8-12%2814%2916-10-6-4-2%2Fh3-10H2%2C1-2H3, 38.0, 1.0, 0.0, 16.0, -1.13880002498627, 4.0, 0.0, 3.0, 11.0, 2.33999991416931, 0.0, 54.5499992370605, 1.29686546325684, 2.63199996948242, 15.0, 
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, 44.0, 1.0, 6.0, 9.0, -1.89090001583099, 8.0, 1.0, 10.0, 9.0, 2.89000010490417, 6.0, 43.600399017334, 3.57550287246704, 5.81099987030029, 19.0, 
InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh1%2C5H%2C3-4H2, 11.0, 0.0, 0.0, 5.0, 0.571799993515015, 4.0, 1.0, 2.0, 1.0, 1.78999996185303, 0.0, 19.4927997589111, 0.326955229043961, -0.0729999989271164, 4.0, 
InChI%3D1S%2FC5H12O%2Fc1-2-3-4-5-6%2Fh6H%2C2-5H2%2C1H3, 18.0, 0.0, 0.0, 6.0, -1.26139998435974, 5.0, 1.0, 0.0, 3.0, 1.89999997615814, 0.0, 21.9102993011475, 1.59113001823425, 1.41999995708466, 5.0, 
InChI%3D1S%2FC6H6FN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2, 14.0, 0.0, 6.0, 0.0, -0.27020001411438, 0.0, 1.0, 7.0, 0.0, 1.89999997615814, 6.0, 5.09460020065308, 0.0730080381035805, 1.72500002384186, 8.0, 
InChI%3D1S%2FC6H13NO%2Fc1-5-3-7-4-6%282%298-5%2Fh5-7H%2C3-4H2%2C1-2H3, 21.0, 0.0, 0.0, 0.0, -0.549499988555908, 0.0, 1.0, 0.0, 0.0, 1.89999997615814, 0.0, 32.9366989135742, 0.301950246095657, 0.34400001168251, 8.0, 
InChI%3D1S%2FC8H14O%2Fc1-7%282%295-4-6-8%283%299%2Fh5H%2C4%2C6H2%2C1-3H3, 23.0, 0.0, 0.0, 9.0, 1.59270000457764, 7.0, 0.0, 2.0, 3.0, 2.23000001907349, 0.0, 39.8740997314453, 2.53669333457947, 1.7960000038147, 8.0, 
InChI%3D1S%2FC6H10O3%2Fc1-5%282%296%288%299-4-3-7%2Fh7H%2C1%2C3-4H2%2C2H3, 19.0, 0.0, 0.0, 9.0, 0.625699996948242, 3.0, 1.0, 5.0, 4.0, 1.78999996185303, 0.0, 32.7098999023438, 0.391500502824783, 0.00499999988824129, 8.0, 
InChI%3D1S%2FC6H10O%2Fc1-3-5-6%287%294-2%2Fh3-4%2C6-7H%2C1-2%2C5H2, 17.0, 0.0, 0.0, 7.0, 1.15989995002747, 6.0, 1.0, 2.0, 3.0, 2.00999999046326, 0.0, 30.7087001800537, 1.34536802768707, 1.20299994945526, 6.0, 
InChI%3D1S%2FC8H18S2%2Fc1-3-9-7-5-6-8-10-4-2%2Fh3-8H2%2C1-2H3, 28.0, 0.0, 0.0, 10.0, 1.33379995822906, 4.0, 0.0, 0.0, 7.0, 2.11999988555908, 0.0, 50.815601348877, 1.77902245521545, 3.71399998664856, 9.0, 
InChI%3D1S%2FC7HF5O%2Fc8-3-2%281-13%294%289%296%2811%297%2812%295%283%2910%2Fh1H, 14.0, 0.0, 6.0, 2.0, 2.20609998703003, 0.0, 0.0, 8.0, 1.0, 1.57000005245209, 6.0, 10.6563997268677, 4.86687707901001, 2.24200010299683, 13.0, 
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H, 5.0, 0.0, 0.0, 4.0, 1.6172000169754, 0.0, 0.0, 0.0, 0.0, 1.24000000953674, 0.0, 21.364200592041, 2.6153359413147, 2.07399988174438, 3.0, 
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, 50.0, 1.0, 6.0, 3.0, 0.901400029659271, 3.0, 1.0, 6.0, 2.0, 3.44000005722046, 6.0, 63.4715995788574, 0.812521934509277, 7.94600009918213, 24.0, 
InChI%3D1S%2FC5H10Cl2%2Fc6-4-2-1-3-5-7%2Fh1-5H2, 17.0, 0.0, 0.0, 7.0, 0.647800028324127, 5.0, 0.0, 0.0, 4.0, 1.78999996185303, 0.0, 29.3903999328613, 0.419644832611084, 2.81399989128113, 6.0, 
InChI%3D1S%2FC6H12O%2Fc1-3-4-5-6%282%297%2Fh3-5H2%2C1-2H3, 19.0, 0.0, 0.0, 7.0, -0.743799984455109, 6.0, 0.0, 1.0, 3.0, 2.00999999046326, 0.0, 27.0415000915527, 0.553238451480865, 1.57599997520447, 6.0, 
InChI%3D1S%2FC9H13N%2Fc1-8-4-6-9%287-5-8%2910%282%293%2Fh4-7H%2C1-3H3, 23.0, 0.0, 6.0, 2.0, 0.859799981117249, 0.0, 0.0, 7.0, 1.0, 2.33999991416931, 6.0, 19.7935009002686, 0.739256024360657, 2.92899990081787, 10.0, 
InChI%3D1S%2FC5Cl5N%2Fc6-1-2%287%294%289%2911-5%2810%293%281%298, 11.0, 0.0, 6.0, 0.0, 3.30029988288879, 0.0, 0.0, 6.0, 0.0, 1.35000002384186, 6.0, 29.0512008666992, 10.8919801712036, 2.65000009536743, 11.0, 
InChI%3D1S%2FC12H19N%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9H%2C13H2%2C1-4H3, 32.0, 0.0, 6.0, 3.0, 0.395900011062622, 3.0, 1.0, 7.0, 2.0, 2.67000007629395, 6.0, 32.7577018737793, 0.156736806035042, 4.35500001907349, 13.0, 
InChI%3D1S%2FC7H4Cl4%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3%2C7H, 15.0, 0.0, 6.0, 3.0, 2.68819999694824, 0.0, 0.0, 6.0, 1.0, 1.78999996185303, 6.0, 26.6131000518799, 7.22641944885254, 3.85999989509583, 11.0, 
InChI%3D1S%2FC5H6ClN3%2Fc1-3-2-4%286%299-5%287%298-3%2Fh2H%2C1H3%2C%28H2%2C7%2C8%2C9%29, 19.0, 0.0, 0.0, 0.0, -0.0907000005245209, 0.0, 3.0, 4.0, 0.0, 1.57000005245209, 0.0, 32.6875991821289, 0.00822648964822292, 1.33200001716614, 9.0, 
InChI%3D1S%2FC8H8N2O%2Fc1-5-3-6%282%2910-8%2811%297%285%294-9%2Fh3H%2C1-2H3%2C%28H%2C10%2C11%29, 19.0, 0.0, 6.0, 2.0, 0.655900001525879, 0.0, 1.0, 9.0, 0.0, 2.00999999046326, 6.0, 19.9978008270264, 0.430204808712006, 1.10500001907349, 11.0, 
InChI%3D1S%2FC7H6Cl2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4H%2C1H3, 15.0, 0.0, 6.0, 0.0, 2.13059997558594, 0.0, 0.0, 6.0, 0.0, 2.00999999046326, 6.0, 16.7332992553711, 4.53945636749268, 3.31100010871887, 9.0, 
InChI%3D1S%2FC6H3Br3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, 13.0, 0.0, 6.0, 0.0, 2.20609998703003, 0.0, 1.0, 7.0, 0.0, 1.67999994754791, 6.0, 28.3619003295898, 4.86687707901001, 3.13499999046326, 10.0, 
InChI%3D1S%2FC2H3Cl3%2Fc1-2%283%2C4%295%2Fh1H3, 8.0, 0.0, 0.0, 5.0, 2.02929997444153, 2.0, 0.0, 0.0, 0.0, 1.35000002384186, 0.0, 26.2173004150391, 4.11805868148804, 2.46900010108948, 4.0, 
InChI%3D1S%2FC6H6ClN%2Fc1-5-3-2-4-6%287%298-5%2Fh2-4H%2C1H3, 14.0, 0.0, 6.0, 0.0, 0.973200023174286, 0.0, 0.0, 6.0, 0.0, 1.89999997615814, 6.0, 11.8346996307373, 0.94711822271347, 2.37800002098083, 8.0, 
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296, 6.0, 0.0, 0.0, 6.0, 2.42880010604858, 2.0, 0.0, 2.0, 0.0, 1.24000000953674, 0.0, 30.9454002380371, 5.89906930923462, 3.02600002288818, 5.0, 
InChI%3D1S%2FC6H14O%2Fc1-4-6%283%2C7%295-2%2Fh7H%2C4-5H2%2C1-3H3, 21.0, 0.0, 0.0, 7.0, -0.779100000858307, 5.0, 1.0, 0.0, 2.0, 2.00999999046326, 0.0, 28.2206993103027, 0.606996834278107, 1.51699995994568, 6.0, 
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H, 18.0, 1.0, 11.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 2.55999994277954, 10.0, 0.0, 0.0, 5.93800020217896, 11.0, 
InChI%3D1S%2FC4H11N%2Fc1-3-5-4-2%2Fh5H%2C3-4H2%2C1-2H3, 16.0, 0.0, 0.0, 5.0, 0.284999996423721, 2.0, 1.0, 0.0, 2.0, 1.78999996185303, 0.0, 23.2810001373291, 0.0812250003218651, 0.670000016689301, 4.0, 
InChI%3D1S%2FC7H3Cl2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H, 14.0, 0.0, 6.0, 2.0, 1.06299996376038, 0.0, 1.0, 9.0, 0.0, 1.78999996185303, 6.0, 19.9944000244141, 1.12996900081635, 1.37300002574921, 11.0, 
InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H, 14.0, 0.0, 6.0, 2.0, -0.192399993538857, 0.0, 0.0, 8.0, 1.0, 2.11999988555908, 6.0, 6.29390001296997, 0.0370177589356899, 3.07999992370605, 8.0, 
InChI%3D1S%2FC6H5Cl2N%2Fc7-5-2-1-4%289%293-6%285%298%2Fh1-3H%2C9H2, 14.0, 0.0, 6.0, 0.0, 0.738699972629547, 0.0, 1.0, 7.0, 0.0, 1.78999996185303, 6.0, 15.4533004760742, 0.545677661895752, 1.95799994468689, 9.0, 
InChI%3D1S%2FC4H5N%2Fc1-2-3-4-5%2Fh2H%2C1%2C3H2, 10.0, 0.0, 0.0, 5.0, 0.77700001001358, 4.0, 0.0, 2.0, 1.0, 1.78999996185303, 0.0, 20.8950004577637, 0.603729009628296, 0.675999999046326, 4.0, 
InChI%3D1S%2FC5H10O%2Fc1-3-5%282%294-6%2Fh4-5H%2C3H2%2C1-2H3, 16.0, 0.0, 0.0, 6.0, -0.134299993515015, 4.0, 0.0, 1.0, 2.0, 1.89999997615814, 0.0, 24.4582996368408, 0.0180364903062582, 1.44900000095367, 5.0, 
InChI%3D1S%2FC7H12O4%2Fc1-3-10-6%288%295-7%289%2911-4-2%2Fh3-5H2%2C1-2H3, 23.0, 0.0, 0.0, 11.0, 0.558000028133392, 3.0, 0.0, 3.0, 6.0, 1.78999996185303, 0.0, 37.1136016845703, 0.311363995075226, 1.18900001049042, 10.0, 
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3%2B, 19.0, 0.0, 0.0, 7.0, -0.505599975585938, 6.0, 1.0, 2.0, 3.0, 2.00999999046326, 0.0, 29.3173007965088, 0.255631357431412, 1.47300004959106, 6.0, 
InChI%3D1S%2FC8H8O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-6H%2C1H3, 17.0, 0.0, 6.0, 3.0, -0.253899991512299, 2.0, 0.0, 8.0, 1.0, 2.23000001907349, 6.0, 10.7704000473022, 0.0644652098417282, 2.93099999427795, 9.0, 
InChI%3D1S%2FC6H2F5N%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H2, 14.0, 0.0, 6.0, 0.0, 1.64859998226166, 0.0, 1.0, 7.0, 0.0, 1.46000003814697, 6.0, 8.5846004486084, 2.71788191795349, 1.56099998950958, 12.0, 
InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H, 13.0, 0.0, 6.0, 0.0, -0.460299998521805, 0.0, 1.0, 7.0, 0.0, 2.00999999046326, 6.0, 2.56459999084473, 0.211876094341278, 2.04399991035461, 7.0, 
InChI%3D1S%2FC9H10O2%2Fc1-2-11-9-5-3-8%287-10%294-6-9%2Fh3-7H%2C2H2%2C1H3, 21.0, 0.0, 6.0, 3.0, 0.00620000017806888, 2.0, 0.0, 9.0, 3.0, 2.23000001907349, 6.0, 17.9034996032715, 3.84400009352248e-05, 2.42600011825562, 11.0, 
InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-1-2-5%287%2810%2911%296%289%293-4%2Fh1-3H%2C%28H2%2C10%2C11%29, 16.0, 0.0, 6.0, 2.0, 1.40699994564056, 0.0, 2.0, 9.0, 1.0, 1.78999996185303, 6.0, 19.7075996398926, 1.97964894771576, 2.63100004196167, 11.0, 
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, 33.0, 0.0, 6.0, 5.0, -1.1570999622345, 0.0, 2.0, 6.0, 1.0, 1.78999996185303, 6.0, 35.7252006530762, 1.33888041973114, -0.279000014066696, 17.0, 
InChI%3D1S%2FC6H5NO3%2Fc8-6-3-1-5%282-4-6%297%289%2910%2Fh1-4%2C8H, 15.0, 0.0, 6.0, 2.0, -0.506900012493134, 0.0, 1.0, 10.0, 1.0, 1.67999994754791, 6.0, 5.45039987564087, 0.256947606801987, 1.72000002861023, 10.0, 
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, 44.0, 1.0, 0.0, 18.0, -1.71480000019073, 6.0, 0.0, 3.0, 13.0, 2.55999994277954, 0.0, 60.3731994628906, 2.94053912162781, 3.34800004959106, 17.0, 
InChI%3D1S%2FC9H10O%2Fc1-2-5-8-6-3-4-7-9%288%2910%2Fh2-4%2C6-7%2C10H%2C1%2C5H2, 20.0, 0.0, 6.0, 3.0, 0.568400025367737, 3.0, 1.0, 7.0, 2.0, 2.33999991416931, 6.0, 17.4664001464844, 0.323078572750092, 2.92799997329712, 10.0, 
InChI%3D1S%2FC7H5BrO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H, 15.0, 0.0, 6.0, 2.0, 0.236100003123283, 0.0, 1.0, 9.0, 1.0, 1.89999997615814, 6.0, 17.4575996398926, 0.0557432100176811, 2.34699988365173, 10.0, 
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3-, 19.0, 0.0, 0.0, 7.0, -0.505599975585938, 6.0, 1.0, 2.0, 3.0, 2.00999999046326, 0.0, 29.3173007965088, 0.255631357431412, 1.47300004959106, 6.0, 
InChI%3D1S%2FC2H2ClN%2Fc3-1-2-4%2Fh1H2, 6.0, 0.0, 0.0, 4.0, 0.577199995517731, 2.0, 0.0, 1.0, 0.0, 1.46000003814697, 0.0, 16.37619972229, 0.3331598341465, 0.26800000667572, 3.0, 
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, 30.0, 0.0, 6.0, 5.0, 0.133300006389618, 0.0, 1.0, 11.0, 4.0, 2.23000001907349, 6.0, 32.0586013793945, 0.0177688896656036, 3.23600006103516, 15.0, 
InChI%3D1S%2FC9H9N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh1-3H%2C7-9H2, 19.0, 0.0, 0.0, 10.0, 2.34270000457764, 3.0, 0.0, 2.0, 3.0, 2.33999991416931, 0.0, 40.3272018432617, 5.48824310302734, 0.866999983787537, 9.0, 
InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3, 17.0, 0.0, 0.0, 7.0, 0.222499996423721, 5.0, 1.0, 2.0, 1.0, 2.00999999046326, 0.0, 27.1746006011963, 0.0495062507688999, 0.763000011444092, 6.0, 
InChI%3D1S%2FC6H5ClN2O2%2Fc7-5-3-4%289%2810%2911%291-2-6%285%298%2Fh1-3H%2C8H2, 16.0, 0.0, 6.0, 3.0, -0.0522000007331371, 0.0, 1.0, 10.0, 1.0, 1.57000005245209, 6.0, 12.72350025177, 0.00272484007291496, 1.74899995326996, 11.0, 
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, 35.0, 0.0, 0.0, 5.0, , 5.0, 1.0, 8.0, 5.0, 2.11999988555908, 0.0, , , 3.2720000743866, 17.0, 
InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-4-2-1-3-6%287%295-12%2Fh1-4H, 16.0, 0.0, 6.0, 3.0, 1.1327999830246, 0.0, 0.0, 8.0, 1.0, 1.89999997615814, 6.0, 12.6331996917725, 1.28323578834534, 3.6800000667572, 12.0, 
InChI%3D1S%2FC4H10O%2Fc1-3-4%282%295%2Fh4-5H%2C3H2%2C1-2H3, 15.0, 0.0, 0.0, 5.0, -0.696099996566772, 4.0, 1.0, 0.0, 1.0, 1.78999996185303, 0.0, 20.6714992523193, 0.484555214643478, 0.741999983787537, 4.0, 
InChI%3D1S%2FC5H4N2O3%2Fc8-4-2-1-3-6-5%284%297%289%2910%2Fh1-3%2C8H, 14.0, 0.0, 6.0, 3.0, -0.506900012493134, 0.0, 1.0, 10.0, 1.0, 1.46000003814697, 6.0, 5.45039987564087, 0.256947606801987, 1.35899996757507, 10.0, 
InChI%3D1S%2FC9H10O3%2Fc1-11-8-4-3-7%286-10%299%285-8%2912-2%2Fh3-6H%2C1-2H3, 22.0, 0.0, 6.0, 2.0, -0.296000003814697, 0.0, 0.0, 10.0, 3.0, 2.11999988555908, 6.0, 20.925500869751, 0.0876159965991974, 1.55900001525879, 12.0, 
InChI%3D1S%2FC6H7N%2Fc1-6-4-2-3-5-7-6%2Fh2-5H%2C1H3, 14.0, 0.0, 6.0, 0.0, 0.439500004053116, 0.0, 0.0, 6.0, 0.0, 2.00999999046326, 6.0, 5.73250007629395, 0.193160250782967, 1.89699995517731, 7.0, 
InChI%3D1S%2F4C2H5.Sn%2Fc4%2A1-2%3B%2Fh4%2A1H2%2C2H3%3B, 37.0, 1.0, 0.0, 1.0, 2.72880005836487, 0.0, 0.0, 0.0, 0.0, 2.23000001907349, 0.0, 42.2263984680176, 7.44634962081909, 5.91200017929077, 4.0, 
InChI%3D1S%2FC7H5FO%2Fc8-7-4-2-1-3-6%287%295-9%2Fh1-5H, 14.0, 0.0, 6.0, 2.0, 0.287299990653992, 0.0, 0.0, 8.0, 1.0, 2.00999999046326, 6.0, 7.16639995574951, 0.082541286945343, 2.61700010299683, 9.0, 
InChI%3D1S%2FC7H4Br2O2%2Fc8-5-1-4%283-10%297%2811%296%289%292-5%2Fh1-3%2C11H, 15.0, 0.0, 6.0, 2.0, 1.12489998340607, 0.0, 1.0, 9.0, 1.0, 1.78999996185303, 6.0, 26.0566997528076, 1.26540005207062, 2.78099989891052, 11.0, 
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, 37.0, 0.0, 6.0, 8.0, , 2.0, 0.0, 6.0, 5.0, 2.67000007629395, 6.0, , , 4.56099987030029, 14.0, 
InChI%3D1S%2FC7H16O%2Fc1-2-3-4-5-6-7-8%2Fh8H%2C2-7H2%2C1H3, 24.0, 0.0, 0.0, 8.0, -1.83739995956421, 7.0, 1.0, 0.0, 5.0, 2.11999988555908, 0.0, 27.7334995269775, 3.37603878974915, 2.55800008773804, 7.0, 
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H, 9.0, 0.0, 5.0, 0.0, -0.154100000858307, 0.0, 0.0, 5.0, 0.0, 1.78999996185303, 5.0, 1.61909997463226, 0.0237468108534813, 1.01800000667572, 5.0, 
InChI%3D1S%2FC5H8F4O%2Fc1-4%282%2C10%295%288%2C9%293%286%297%2Fh3%2C10H%2C1-2H3, 18.0, 0.0, 0.0, 10.0, 1.22920000553131, 4.0, 1.0, 0.0, 2.0, 1.46000003814697, 0.0, 26.5454998016357, 1.5109326839447, 2.16799998283386, 9.0, 
InChI%3D1S%2FC4H6Cl2%2Fc1-2-4%286%293-5%2Fh2%2C4H%2C1%2C3H2, 12.0, 0.0, 0.0, 6.0, 2.15729999542236, 4.0, 0.0, 2.0, 2.0, 1.67999994754791, 0.0, 29.4885005950928, 4.65394306182861, 2.02500009536743, 5.0, 
InChI%3D1S%2FC4H10O%2Fc1-3-5-4-2%2Fh3-4H2%2C1-2H3, 15.0, 0.0, 0.0, 5.0, 0.55129998922348, 2.0, 0.0, 0.0, 2.0, 1.78999996185303, 0.0, 21.6000995635986, 0.303931683301926, 0.86599999666214, 4.0, 
InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H, 6.0, 0.0, 0.0, 5.0, 1.74279999732971, 2.0, 0.0, 2.0, 0.0, 1.35000002384186, 0.0, 25.2621994018555, 3.03735184669495, 2.64199995994568, 4.0, 
InChI%3D1S%2FC5H10O%2Fc1-3-4-5%282%296%2Fh3-4H2%2C1-2H3, 16.0, 0.0, 0.0, 6.0, -0.455799996852875, 5.0, 0.0, 1.0, 2.0, 1.89999997615814, 0.0, 24.1298999786377, 0.207753643393517, 1.00699996948242, 5.0, 
InChI%3D1S%2FC10H22O%2Fc1-3-5-7-9-11-10-8-6-4-2%2Fh3-10H2%2C1-2H3, 33.0, 0.0, 0.0, 11.0, -1.75629997253418, 5.0, 0.0, 0.0, 8.0, 2.45000004768372, 0.0, 40.3105010986328, 3.08458971977234, 3.85800004005432, 10.0, 
InChI%3D1S%2FC7H12O%2Fc1-5-7%284%2C8%296%282%293%2Fh1%2C6%2C8H%2C2-4H3, 20.0, 0.0, 0.0, 8.0, 1.0320999622345, 5.0, 1.0, 2.0, 1.0, 2.11999988555908, 0.0, 32.6320991516113, 1.06523036956787, 1.05999994277954, 7.0, 
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, 33.0, 0.0, 6.0, 8.0, 0.0930999964475632, 0.0, 2.0, 11.0, 5.0, 1.57000005245209, 6.0, 55.1116981506348, 0.00866760965436697, 3.60999989509583, 20.0, 
InChI%3D1S%2FC11H16N2%2Fc1-2-4-11%285-3-1%2910-13-8-6-12-7-9-13%2Fh1-5%2C12H%2C6-10H2, 29.0, 0.0, 6.0, 0.0, -0.349200010299683, 0.0, 1.0, 6.0, 2.0, 2.45000004768372, 6.0, 29.7590007781982, 0.121940642595291, 2.375, 14.0, 
InChI%3D1S%2FC10H18%2Fc1-3-5-7-9-10-8-6-4-2%2Fh3-4H%2C1-2%2C5-10H2, 28.0, 1.0, 0.0, 10.0, 0.774200022220612, 10.0, 0.0, 2.0, 7.0, 2.55999994277954, 0.0, 40.8443984985352, 0.599385619163513, 5.2979998588562, 9.0, 
InChI%3D1S%2FC6H13Br%2Fc1-2-3-4-5-6-7%2Fh2-6H2%2C1H3, 20.0, 0.0, 0.0, 7.0, -0.200299993157387, 6.0, 0.0, 0.0, 4.0, 2.00999999046326, 0.0, 30.8563995361328, 0.0401200912892818, 3.80100011825562, 6.0, 
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, 28.0, 1.0, 12.0, 4.0, 0.0197000000625849, 3.0, 1.0, 6.0, 2.0, 3.0, 12.0, 12.631799697876, 0.000388090003980324, 5.375, 17.0, 
InChI%3D1S%2FC9H7N%2Fc1-2-6-9-8%284-1%295-3-7-10-9%2Fh1-7H, 17.0, 0.0, 11.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 2.33999991416931, 10.0, 0.0, 0.0, 3.02800011634827, 11.0, 
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3, 44.0, 1.0, 0.0, 17.0, -1.63800001144409, 4.0, 0.0, 5.0, 12.0, 2.23000001907349, 0.0, 60.3110008239746, 2.68304395675659, 3.35999989509583, 16.0, 
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3, 19.0, 0.0, 6.0, 3.0, 0.548799991607666, 0.0, 0.0, 12.0, 2.0, 1.57000005245209, 6.0, 11.273699760437, 0.301181435585022, 2.68199992179871, 13.0, 
InChI%3D1S%2FC4H8Cl2%2Fc5-3-1-2-4-6%2Fh1-4H2, 14.0, 0.0, 0.0, 6.0, 0.935800015926361, 4.0, 0.0, 0.0, 3.0, 1.67999994754791, 0.0, 26.4787998199463, 0.875721633434296, 2.45600008964539, 5.0, 
InChI%3D1S%2FC6H12O%2Fc1-5%287%296%282%2C3%294%2Fh1-4H3, 19.0, 0.0, 0.0, 7.0, 1.30229997634888, 4.0, 0.0, 1.0, 1.0, 2.00999999046326, 0.0, 29.8971996307373, 1.69598531723022, 0.931999981403351, 6.0, 
InChI%3D1S%2FC8H11N%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6H%2C2%2C9H2%2C1H3, 20.0, 0.0, 6.0, 2.0, -0.442999988794327, 2.0, 1.0, 7.0, 1.0, 2.23000001907349, 6.0, 14.5726003646851, 0.19624899327755, 2.86899995803833, 9.0, 
InChI%3D1S%2FC4H6Cl2%2Fc1-4%282-5%293-6%2Fh1-3H2, 12.0, 0.0, 0.0, 6.0, 2.02369999885559, 3.0, 0.0, 2.0, 2.0, 1.67999994754791, 0.0, 29.5827007293701, 4.09536170959473, 1.47800004482269, 5.0, 
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh6H%2C2-5H2%2C1H3, 19.0, 0.0, 0.0, 7.0, -0.970300018787384, 6.0, 0.0, 1.0, 4.0, 2.00999999046326, 0.0, 25.4766006469727, 0.941482067108154, 2.29399991035461, 6.0, 
InChI%3D1S%2FC6H12O%2Fc1-5%282%294-6%283%297%2Fh5H%2C4H2%2C1-3H3, 19.0, 0.0, 0.0, 7.0, 0.353799998760223, 5.0, 0.0, 1.0, 2.0, 2.00999999046326, 0.0, 29.5874004364014, 0.125174432992935, 1.51499998569489, 6.0, 
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, 41.0, 0.0, 12.0, 0.0, -1.43060004711151, 0.0, 2.0, 9.0, 2.0, 2.89000010490417, 12.0, 36.617000579834, 2.04661631584167, 2.73000001907349, 28.0, 
InChI%3D1S%2FC9H10O3%2Fc1-2-12-9%2811%297-5-3-4-6-8%287%2910%2Fh3-6%2C10H%2C2H2%2C1H3, 22.0, 0.0, 6.0, 5.0, -0.198699995875359, 2.0, 1.0, 10.0, 3.0, 2.11999988555908, 6.0, 18.8467998504639, 0.0394816882908344, 2.4539999961853, 12.0, 
InChI%3D1S%2FC8H10N4O2%2Fc1-10-4-9-6-5%2810%297%2813%2912%283%298%2814%2911%286%292%2Fh4H%2C1-3H3, 24.0, 0.0, 5.0, 0.0, -0.431100010871887, 0.0, 1.0, 6.0, 0.0, 1.67999994754791, 0.0, 34.872200012207, 0.185847207903862, -0.625, 15.0, 
InChI%3D1S%2FC3H2F6O%2Fc4-2%285%2C6%291%2810%293%287%2C8%299%2Fh1%2C10H, 12.0, 0.0, 0.0, 10.0, 1.68550002574921, 3.0, 1.0, 0.0, 2.0, 1.01999998092651, 0.0, 18.8316993713379, 2.84091019630432, 2.38800001144409, 9.0, 
InChI%3D1S%2FC9H10O3%2Fc1-2-12-9-5-7%286-10%293-4-8%289%2911%2Fh3-6%2C11H%2C2H2%2C1H3, 22.0, 0.0, 6.0, 3.0, -0.454100012779236, 2.0, 1.0, 10.0, 3.0, 2.11999988555908, 6.0, 20.4680995941162, 0.206206813454628, 1.46300005912781, 12.0, 
InChI%3D1S%2FC6H6ClN%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C8H2, 14.0, 0.0, 6.0, 0.0, -0.00559999980032444, 0.0, 1.0, 7.0, 0.0, 1.89999997615814, 6.0, 9.83769989013672, 3.13599994115066e-05, 1.86199998855591, 8.0, 
InChI%3D1S%2FC10H16%2Fc1-7-2-9-4-8%281%295-10%283-7%296-9%2Fh7-10H%2C1-6H2, 26.0, 0.0, 0.0, 0.0, -0.850000023841858, 0.0, 0.0, 0.0, 0.0, 2.55999994277954, 0.0, 40.4035987854004, 0.722500026226044, 4.76599979400635, 12.0, 
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, 29.0, 0.0, 6.0, 9.0, 3.52810001373291, 2.0, 0.0, 11.0, 6.0, 1.46000003814697, 6.0, 56.3139991760254, 12.4474897384644, 4.21600008010864, 18.0, 
InChI%3D1S%2FC7H9NO%2Fc1-6%289%297-4-3-5-8%287%292%2Fh3-5H%2C1-2H3, 18.0, 0.0, 5.0, 3.0, -0.138400003314018, 2.0, 0.0, 7.0, 1.0, 2.00999999046326, 5.0, 19.3651008605957, 0.0191545598208904, 0.950999975204468, 9.0, 
InChI%3D1S%2FC8H18S2%2Fc1-9-7-5-3-4-6-8-10-2%2Fh3-8H2%2C1-2H3, 28.0, 0.0, 0.0, 10.0, 0.256999999284744, 6.0, 0.0, 0.0, 7.0, 2.11999988555908, 0.0, 48.0512008666992, 0.0660490021109581, 3.71399998664856, 9.0, 
InChI%3D1S%2FC6H4Br2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H, 12.0, 0.0, 6.0, 0.0, 1.77760004997253, 0.0, 0.0, 6.0, 0.0, 1.89999997615814, 6.0, 17.1982002258301, 3.15986180305481, 3.66400003433228, 8.0, 
InChI%3D1S%2FC4H9Br%2Fc1-2-3-4-5%2Fh2-4H2%2C1H3, 14.0, 0.0, 0.0, 5.0, 0.375699996948242, 4.0, 0.0, 0.0, 2.0, 1.78999996185303, 0.0, 25.0331993103027, 0.141150489449501, 2.66300010681152, 4.0, 
InChI%3D1S%2FC7H7NO2%2Fc1-6-3-2-4-7%285-6%298%289%2910%2Fh2-5H%2C1H3, 17.0, 0.0, 6.0, 2.0, 0.595399975776672, 0.0, 0.0, 9.0, 1.0, 1.89999997615814, 6.0, 8.38790035247803, 0.354501157999039, 3.21700000762939, 10.0, 
InChI%3D1S%2FC6H3Cl4N%2Fc7-2-1-3%288%295%2810%296%2811%294%282%299%2Fh1H%2C11H2, 14.0, 0.0, 6.0, 0.0, 2.22729992866516, 0.0, 1.0, 7.0, 0.0, 1.57000005245209, 6.0, 26.6844997406006, 4.96086549758911, 2.15000009536743, 11.0, 
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-3-6%288%295-7%2Fh2-5%2C8H%2C1H3, 17.0, 0.0, 6.0, 2.0, -0.512099981307983, 0.0, 1.0, 8.0, 1.0, 2.00999999046326, 6.0, 9.88039970397949, 0.262246400117874, 1.38900005817413, 9.0, 
InChI%3D1S%2FC3H9NO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2%2C4H2%2C1H3, 14.0, 0.0, 0.0, 5.0, -1.19770002365112, 3.0, 2.0, 0.0, 1.0, 1.57000005245209, 0.0, 20.7954998016357, 1.43448531627655, -0.814999997615814, 4.0, 
InChI%3D1S%2FCHI3%2Fc2-1%283%294%2Fh1H, 5.0, 0.0, 0.0, 4.0, 0.718400001525879, 0.0, 0.0, 0.0, 0.0, 1.24000000953674, 0.0, 45.6068992614746, 0.51609855890274, 3.68799996376038, 3.0, 
InChI%3D1S%2FC6H14O%2Fc1-5%282%297-6%283%294%2Fh5-6H%2C1-4H3, 21.0, 0.0, 0.0, 7.0, -0.0496999993920326, 3.0, 0.0, 0.0, 2.0, 2.00999999046326, 0.0, 32.0097007751465, 0.00247009005397558, 1.78600001335144, 6.0, 
InChI%3D1S%2FC6H12O2%2Fc1-3-4-5-8-6%282%297%2Fh3-5H2%2C1-2H3, 20.0, 0.0, 0.0, 8.0, -0.594299972057343, 4.0, 0.0, 3.0, 4.0, 1.89999997615814, 0.0, 28.1501998901367, 0.35319247841835, 1.59099996089935, 7.0, 
InChI%3D1S%2FC3H6O3%2Fc1-4-2-6-3-5-1%2Fh1-3H2, 12.0, 0.0, 0.0, 0.0, -0.445800006389618, 0.0, 0.0, 0.0, 0.0, 1.46000003814697, 0.0, 17.5590000152588, 0.198737636208534, -0.158999994397163, 6.0, 
InChI%3D1S%2FC10H18O2%2Fc1-2-3-4-5-6-9-7-8-10%2811%2912-9%2Fh9H%2C2-8H2%2C1H3, 30.0, 0.0, 0.0, 6.0, -1.78340005874634, 6.0, 0.0, 3.0, 5.0, 2.33999991416931, 0.0, 37.6071014404297, 3.18051552772522, 3.31299996376038, 12.0, 
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, 33.0, 0.0, 6.0, 7.0, -1.99310004711151, 6.0, 1.0, 8.0, 6.0, 2.55999994277954, 6.0, 28.0984992980957, 3.97244763374329, 3.80999994277954, 14.0, 
InChI%3D1S%2FC6H9NO%2Fc1-4-5%282%298-6%283%297-4%2Fh1-3H3, 17.0, 0.0, 5.0, 0.0, 0.776199996471405, 0.0, 1.0, 0.0, 0.0, 1.89999997615814, 0.0, 18.9827995300293, 0.602486431598663, 1.61300003528595, 8.0, 
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, 35.0, 1.0, 18.0, 2.0, -0.959200024604797, 0.0, 0.0, 20.0, 3.0, 3.22000002861023, 18.0, 6.97349977493286, 0.920064628124237, 6.92700004577637, 22.0, 
InChI%3D1S%2FC9H11NO2%2Fc1-2-12-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3, 23.0, 0.0, 6.0, 5.0, -0.488299995660782, 2.0, 1.0, 10.0, 3.0, 2.11999988555908, 6.0, 20.5042991638184, 0.23843689262867, 1.74699997901917, 12.0, 
InChI%3D1S%2FC8H10O2%2Fc9-6-7-10-8-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2, 20.0, 0.0, 6.0, 4.0, -0.591199994087219, 2.0, 1.0, 7.0, 3.0, 2.11999988555908, 6.0, 13.608099937439, 0.349517434835434, 1.85399997234344, 10.0, 
InChI%3D1S%2FC2H3Cl3%2Fc3-1-2%284%295%2Fh2H%2C1H2, 8.0, 0.0, 0.0, 5.0, 1.95550000667572, 2.0, 0.0, 0.0, 1.0, 1.35000002384186, 0.0, 25.7096996307373, 3.8239803314209, 2.15799999237061, 4.0, 
InChI%3D1S%2FC8H12O%2Fc1-2-8%289%296-4-3-5-7-8%2Fh1%2C9H%2C3-7H2, 21.0, 0.0, 0.0, 2.0, -0.333099991083145, 2.0, 1.0, 2.0, 0.0, 2.23000001907349, 0.0, 30.2702007293701, 0.110955610871315, 1.35000002384186, 9.0, 
InChI%3D1S%2FC10H15NO2%2Fc12-8-6-11%287-9-13%2910-4-2-1-3-5-10%2Fh1-5%2C12-13H%2C6-9H2, 28.0, 0.0, 6.0, 7.0, -0.861000001430511, 2.0, 2.0, 7.0, 5.0, 2.23000001907349, 6.0, 26.8759994506836, 0.7413210272789, 1.18799996376038, 13.0, 
InChI%3D1S%2FC10H14%2Fc1-3-9-6-5-7-10%284-2%298-9%2Fh5-8H%2C3-4H2%2C1-2H3, 24.0, 1.0, 6.0, 2.0, 0.61379998922348, 2.0, 0.0, 6.0, 2.0, 2.55999994277954, 6.0, 20.701000213623, 0.376750439405441, 5.84600019454956, 10.0, 
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-, 25.0, 0.0, 12.0, 2.0, -0.460299998521805, 0.0, 1.0, 15.0, 2.0, 2.45000004768372, 12.0, 2.56459999084473, 0.211876094341278, 4.92600011825562, 16.0, 
InChI%3D1S%2FC7H4Cl2O%2Fc8-6-2-1-5%284-10%297%289%293-6%2Fh1-4H, 14.0, 0.0, 6.0, 2.0, 1.29620003700256, 0.0, 0.0, 8.0, 1.0, 1.89999997615814, 6.0, 17.5251007080078, 1.68013441562653, 2.63899993896484, 10.0, 
InChI%3D1S%2FC5H12ClN.ClH%2Fc1-7%282%295-3-4-6%3B%2Fh3-5H2%2C1-2H3%3B1H, 21.0, 0.0, 0.0, 7.0, 0.697300016880035, 3.0, 0.0, 0.0, 3.0, 1.67999994754791, 0.0, 32.2430000305176, 0.486227303743362, 1.69799995422363, 6.0, 
InChI%3D1S%2FC11H13NO%2Fc1-12%282%2911-7-5-10%286-8-11%294-3-9-13%2Fh3-9H%2C1-2H3%2Fb4-3-, 26.0, 0.0, 6.0, 4.0, 0.386500000953674, 3.0, 0.0, 11.0, 3.0, 2.45000004768372, 6.0, 30.828800201416, 0.149382248520851, 2.52900004386902, 13.0, 
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, 35.0, 0.0, 6.0, 9.0, 1.08689999580383, 2.0, 0.0, 13.0, 7.0, 1.89999997615814, 6.0, 53.8424987792969, 1.18135166168213, 2.77699995040894, 18.0, 
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-4-2-3-5-8%287%2911%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, 20.0, 0.0, 6.0, 4.0, -0.532000005245209, 2.0, 2.0, 10.0, 1.0, 2.00999999046326, 6.0, 16.4654006958008, 0.28302401304245, 1.66600000858307, 11.0, 
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, 34.0, 0.0, 0.0, 5.0, , 5.0, 1.0, 8.0, 4.0, 2.00999999046326, 0.0, , , 2.61400008201599, 16.0, 
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, 24.0, 0.0, 6.0, 6.0, 1.61870002746582, 0.0, 1.0, 10.0, 2.0, 1.89999997615814, 6.0, 33.6021003723145, 2.62018966674805, 3.28600001335144, 14.0, 
InChI%3D1S%2FC7H14O%2Fc1-3-4-5-6-7%282%298%2Fh3-6H2%2C1-2H3, 22.0, 0.0, 0.0, 8.0, -1.03180003166199, 7.0, 0.0, 1.0, 4.0, 2.11999988555908, 0.0, 29.9531002044678, 1.06461119651794, 2.14499998092651, 7.0, 
InChI%3D1S%2FC10H12O%2Fc1-8%282%2910-5-3-9%287-11%294-6-10%2Fh3-8H%2C1-2H3, 23.0, 0.0, 6.0, 2.0, 0.380499988794327, 0.0, 0.0, 8.0, 2.0, 2.45000004768372, 6.0, 20.5617008209229, 0.144780248403549, 4.48000001907349, 11.0, 
InChI%3D1S%2FC6H4FNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H, 14.0, 0.0, 6.0, 2.0, 0.433099985122681, 0.0, 0.0, 9.0, 1.0, 1.67999994754791, 6.0, 3.75830006599426, 0.187575608491898, 2.64199995994568, 10.0, 
InChI%3D1S%2FC4Cl6%2Fc5-1%283%287%298%292%286%294%289%2910, 10.0, 0.0, 0.0, 10.0, 3.6340000629425, 4.0, 0.0, 4.0, 1.0, 1.24000000953674, 0.0, 50.6963996887207, 13.2059564590454, 4.4520001411438, 9.0, 
InChI%3D1S%2FC8H19O2PS3%2Fc1-4-9-11%2812%2C10-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3, 33.0, 0.0, 0.0, 14.0, 3.03049993515015, 2.0, 0.0, 4.0, 9.0, 1.67999994754791, 0.0, 72.6323013305664, 9.18393039703369, 4.16699981689453, 13.0, 
InChI%3D1S%2FC10H18O%2Fc1-9%282%298-4-6-10%283%2C11-9%297-5-8%2Fh8H%2C4-7H2%2C1-3H3, 29.0, 0.0, 0.0, 0.0, 1.31089997291565, 0.0, 0.0, 0.0, 0.0, 2.45000004768372, 0.0, 44.032600402832, 1.71845877170563, 2.59500002861023, 12.0, 
InChI%3D1S%2FC13H11NO%2Fc15-11-14%2812-7-3-1-4-8-12%2913-9-5-2-6-10-13%2Fh1-11H, 26.0, 0.0, 12.0, 3.0, -0.703700006008148, 0.0, 0.0, 15.0, 3.0, 2.67000007629395, 12.0, 8.79389953613281, 0.495193690061569, 4.7020001411438, 16.0, 
InChI%3D1S%2FC12H27N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-13H2%2C1H3, 40.0, 1.0, 0.0, 13.0, -3.56699991226196, 12.0, 1.0, 0.0, 10.0, 2.67000007629395, 0.0, 43.9490013122559, 12.7234888076782, 5.33599996566772, 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, 20.0, , 6.0, 0.0, , 0.0, 1.0, 12.0, 0.0, 1.46000003814697, 6.0, , , , 13.0, 
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, 52.0, 1.0, 0.0, 3.0, 1.37730002403259, 3.0, 1.0, 4.0, 2.0, 3.44000005722046, 0.0, 90.3136978149414, 1.89695525169373, 6.11299991607666, 24.0, 
InChI%3D1S%2FC8H11N%2Fc1-3-8-5-4-7%282%299-6-8%2Fh4-6H%2C3H2%2C1-2H3, 20.0, 0.0, 6.0, 2.0, 0.746399998664856, 2.0, 0.0, 6.0, 1.0, 2.23000001907349, 6.0, 16.0830001831055, 0.5571129322052, 2.57800006866455, 9.0, 
InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3, 12.0, 0.0, 0.0, 4.0, -0.377700001001358, 0.0, 1.0, 2.0, 0.0, 1.46000003814697, 0.0, 19.5755004882812, 0.142657294869423, -1.38499999046326, 3.0, 
InChI%3D1S%2FC9H16O%2Fc1-5-9%284%2C10%297-6-8%282%293%2Fh1%2C8%2C10H%2C6-7H2%2C2-4H3, 26.0, 0.0, 0.0, 10.0, 1.54330003261566, 7.0, 1.0, 2.0, 3.0, 2.33999991416931, 0.0, 41.535701751709, 2.38177490234375, 2.40899991989136, 9.0, 
InChI%3D1S%2FC8H10%2Fc1-7-5-3-4-6-8%287%292%2Fh3-6H%2C1-2H3, 18.0, 0.0, 6.0, 0.0, 1.28400003910065, 0.0, 0.0, 6.0, 0.0, 2.33999991416931, 6.0, 11.0041999816895, 1.64865601062775, 4.70800018310547, 8.0, 
InChI%3D1S%2FC12H10OS%2Fc13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H, 24.0, 0.0, 12.0, 2.0, -0.521200001239777, 0.0, 0.0, 14.0, 2.0, 2.55999994277954, 12.0, 9.16520023345947, 0.271649450063705, 3.40799999237061, 15.0, 
InChI%3D1S%2FC9H11NO%2Fc1-10%282%299-5-3-8%287-11%294-6-9%2Fh3-7H%2C1-2H3, 22.0, 0.0, 6.0, 2.0, 0.0253999996930361, 0.0, 0.0, 9.0, 2.0, 2.23000001907349, 6.0, 20.5853004455566, 0.000645159976556897, 2.0460000038147, 11.0, 
InChI%3D1S%2FC12H8O%2Fc1-3-7-11-9%285-1%2910-6-2-4-8-12%2810%2913-11%2Fh1-8H, 21.0, 0.0, 15.0, 0.0, -0.154100000858307, 0.0, 0.0, 13.0, 0.0, 2.67000007629395, 12.0, 1.61909997463226, 0.0237468108534813, 4.27400016784668, 15.0, 
InChI%3D1S%2FC4H12N.ClH%2Fc1-5%282%2C3%294%3B%2Fh1-4H3%3B1H%2Fq%2B1%3B%2Fp-1, 18.0, 0.0, 0.0, 5.0, , 0.0, 0.0, 0.0, 0.0, 1.67999994754791, 0.0, , , 0.38400000333786, 4.0, 
InChI%3D1S%2FC10H24N4%2Fc11-3-1-5-13-7-9-14%2810-8-13%296-2-4-12%2Fh1-12H2, 38.0, 0.0, 0.0, 4.0, -1.95659995079041, 3.0, 2.0, 0.0, 6.0, 2.11999988555908, 0.0, 57.7610015869141, 3.8282835483551, -1.12999999523163, 14.0, 
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, 34.0, 0.0, 0.0, 5.0, , 5.0, 1.0, 8.0, 4.0, 2.00999999046326, 0.0, , , 3.06900000572205, 16.0, 
InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3H%2C%28H2%2C10%2C11%29, 16.0, 0.0, 6.0, 3.0, 1.40699994564056, 0.0, 2.0, 9.0, 1.0, 1.78999996185303, 6.0, 19.7075996398926, 1.97964894771576, 2.63100004196167, 11.0, 
InChI%3D1S%2FC6H2Cl2N2O4%2Fc7-3-1-4%288%296%2810%2813%2914%292-5%283%299%2811%2912%2Fh1-2H, 16.0, 0.0, 6.0, 3.0, 1.39540004730225, 0.0, 0.0, 12.0, 2.0, 1.24000000953674, 6.0, 17.002799987793, 1.94714117050171, 2.76200008392334, 14.0, 
InChI%3D1S%2FC6H5NO%2Fc8-5-6-2-1-3-7-4-6%2Fh1-5H, 13.0, 0.0, 6.0, 2.0, -0.192399993538857, 0.0, 0.0, 8.0, 1.0, 1.89999997615814, 6.0, 6.29390001296997, 0.0370177589356899, 1.05099999904633, 8.0, 
InChI%3D1S%2FC12H9NO3%2Fc14-13%2815%2910-6-8-12%289-7-10%2916-11-4-2-1-3-5-11%2Fh1-9H, 25.0, 0.0, 12.0, 3.0, -0.200699999928474, 0.0, 0.0, 16.0, 3.0, 2.33999991416931, 12.0, 4.5048999786377, 0.0402804911136627, 4.78200006484985, 17.0, 
InChI%3D1S%2FC12H10O%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10H, 23.0, 1.0, 12.0, 0.0, -0.154100000858307, 0.0, 0.0, 13.0, 2.0, 2.67000007629395, 12.0, 1.61909997463226, 0.0237468108534813, 5.10599994659424, 14.0, 
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, 49.0, 1.0, 6.0, 3.0, 4.20830011367798, 0.0, 1.0, 7.0, 3.0, 3.32999992370605, 6.0, 59.9449996948242, 17.709789276123, 7.6399998664856, 19.0, 
InChI%3D1S%2FC6H14%2Fc1-3-5-6-4-2%2Fh3-6H2%2C1-2H3, 20.0, 0.0, 0.0, 6.0, -1.04939997196198, 6.0, 0.0, 0.0, 3.0, 2.11999988555908, 0.0, 23.4437999725342, 1.10124039649963, 3.75399994850159, 5.0, 
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, 30.0, 0.0, 6.0, 5.0, 0.52319997549057, 2.0, 0.0, 12.0, 6.0, 2.33999991416931, 6.0, 32.5643997192383, 0.273738235235214, 3.1800000667572, 16.0, 
InChI%3D1S%2FC7H14N2O2S%2Fc1-7%282%2C12-4%295-9-11-6%2810%298-3%2Fh5H%2C1-4H3%2C%28H%2C8%2C10%29, 26.0, 0.0, 0.0, 12.0, 1.48800003528595, 3.0, 1.0, 6.0, 4.0, 1.67999994754791, 0.0, 50.0533981323242, 2.21414399147034, 2.26799988746643, 11.0, 
InChI%3D1S%2FC9H12O2%2Fc1-7-8%2810-2%295-4-6-9%287%2911-3%2Fh4-6H%2C1-3H3, 23.0, 0.0, 6.0, 2.0, 0.538399994373322, 0.0, 0.0, 8.0, 2.0, 2.23000001907349, 6.0, 20.1336994171143, 0.28987455368042, 2.01999998092651, 11.0, 
InChI%3D1S%2FC4H8O2%2Fc1-3-6-4%282%295%2Fh3H2%2C1-2H3, 14.0, 0.0, 0.0, 6.0, 0.271499991416931, 2.0, 0.0, 3.0, 2.0, 1.67999994754791, 0.0, 21.706600189209, 0.0737122520804405, 0.663999974727631, 5.0, 
InChI%3D1S%2FC6H7N%2Fc1-6-2-4-7-5-3-6%2Fh2-5H%2C1H3, 14.0, 0.0, 6.0, 0.0, 0.642000019550323, 0.0, 0.0, 6.0, 0.0, 2.00999999046326, 6.0, 5.50209999084473, 0.412164002656937, 1.72300004959106, 7.0, 
InChI%3D1S%2FC6H5ClO%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4%2C8H, 13.0, 0.0, 6.0, 0.0, 0.284000009298325, 0.0, 1.0, 7.0, 0.0, 1.89999997615814, 6.0, 8.18019962310791, 0.080655999481678, 1.92900002002716, 8.0, 
InChI%3D1S%2FC5H8O%2Fc1-4-5%282%2C3%296%2Fh1%2C6H%2C2-3H3, 14.0, 0.0, 0.0, 6.0, 0.898699998855591, 4.0, 1.0, 2.0, 0.0, 1.89999997615814, 0.0, 24.0967998504639, 0.807661712169647, 0.405000001192093, 5.0, 
InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H, 24.0, 0.0, 12.0, 0.0, -0.420399993658066, 0.0, 1.0, 13.0, 2.0, 2.67000007629395, 12.0, 3.29999995231628, 0.176736161112785, 4.90999984741211, 14.0, 
InChI%3D1S%2FC5H13N%2Fc1-5%282%2C3%294-6%2Fh4%2C6H2%2C1-3H3, 19.0, 0.0, 0.0, 6.0, 0.817900002002716, 3.0, 1.0, 0.0, 1.0, 1.89999997615814, 0.0, 28.0611000061035, 0.668960392475128, 0.907000005245209, 5.0, 
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, 16.0, 0.0, 6.0, 3.0, , 0.0, 1.0, 10.0, 1.0, 1.78999996185303, 6.0, , , 1.71000003814697, 10.0, 
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, 33.0, 0.0, 6.0, 6.0, -2.22160005569458, 0.0, 0.0, 7.0, 2.0, 1.89999997615814, 6.0, 32.7785987854004, 4.93550634384155, 0.619000017642975, 15.0, 
InChI%3D1S%2FC8H6Cl2O%2Fc1-5%2811%297-3-2-6%289%294-8%287%2910%2Fh2-4H%2C1H3, 17.0, 0.0, 6.0, 2.0, 1.23469996452332, 0.0, 0.0, 8.0, 1.0, 2.00999999046326, 6.0, 22.0016002655029, 1.52448403835297, 2.49000000953674, 11.0, 
InChI%3D1S%2FC9H12O%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5%2C10H%2C1-3H3, 22.0, 0.0, 6.0, 0.0, 1.46570003032684, 0.0, 1.0, 7.0, 0.0, 2.33999991416931, 6.0, 19.0708999633789, 2.14827656745911, 2.59100008010864, 10.0, 
InChI%3D1S%2FC7H7NO%2Fc1-6%289%297-2-4-8-5-3-7%2Fh2-5H%2C1H3, 16.0, 0.0, 6.0, 3.0, -0.253899991512299, 2.0, 0.0, 8.0, 1.0, 2.00999999046326, 6.0, 10.7704000473022, 0.0644652098417282, 0.90200001001358, 9.0, 
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, 22.0, 0.0, 6.0, 5.0, 1.49310004711151, 3.0, 1.0, 9.0, 2.0, 2.00999999046326, 6.0, 30.1555004119873, 2.22934770584106, 3.07399988174438, 13.0, 
InChI%3D1S%2FC10H21N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3, 32.0, 0.0, 0.0, 5.0, -0.771799981594086, 2.0, 0.0, 0.0, 3.0, 2.45000004768372, 0.0, 40.8348999023438, 0.595675230026245, 2.73699998855591, 11.0, 
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H, 13.0, 0.0, 6.0, 0.0, 3.26119995117188, 0.0, 1.0, 7.0, 0.0, 1.46000003814697, 6.0, 30.642599105835, 10.635425567627, 2.31299996376038, 12.0, 
InChI%3D1S%2FC10H15N%2Fc1-2-3-4-9-5-7-10%2811%298-6-9%2Fh5-8H%2C2-4%2C11H2%2C1H3, 26.0, 0.0, 6.0, 4.0, -1.21220004558563, 4.0, 1.0, 7.0, 3.0, 2.45000004768372, 6.0, 20.8094005584717, 1.46942889690399, 4.00699996948242, 11.0, 
InChI%3D1S%2FC6H15NO3%2Fc8-4-1-7%282-5-9%293-6-10%2Fh8-10H%2C1-6H2, 25.0, 0.0, 0.0, 10.0, -1.29809999465942, 2.0, 3.0, 0.0, 6.0, 1.67999994754791, 0.0, 38.8650016784668, 1.68506360054016, -2.06399989128113, 9.0, 
InChI%3D1S%2FC6H12N4%2Fc1-7-2-9-4-8%281%295-10%283-7%296-9%2Fh1-6H2, 22.0, 0.0, 0.0, 0.0, 0.0857999995350838, 0.0, 0.0, 0.0, 0.0, 1.67999994754791, 0.0, 36.9953994750977, 0.00736164022237062, -0.186000004410744, 12.0, 
InChI%3D1S%2FC8H8ClNO%2Fc1-6-7%289%293-2-4-8%286%2910-5-11%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%29, 19.0, 0.0, 6.0, 3.0, 1.23580002784729, 0.0, 1.0, 9.0, 1.0, 2.00999999046326, 6.0, 20.9465007781982, 1.52720165252686, 2.6010000705719, 11.0, 
InChI%3D1S%2FCH4O%2Fc1-2%2Fh2H%2C1H3, 6.0, 0.0, 0.0, 1.0, -0.358000010251999, 0.0, 1.0, 0.0, 0.0, 1.46000003814697, 0.0, 8.2613000869751, 0.128163993358612, -0.499000012874603, 1.0, 
InChI%3D1S%2FC6H14O3%2Fc1-2-8-5-6-9-4-3-7%2Fh7H%2C2-6H2%2C1H3, 23.0, 0.0, 0.0, 9.0, -0.36939999461174, 2.0, 1.0, 0.0, 6.0, 1.78999996185303, 0.0, 34.6421012878418, 0.136456355452538, -0.456000000238419, 8.0, 
InChI%3D1S%2FC10H12O4%2Fc1-12-8-5-10%2814-3%299%2813-2%294-7%288%296-11%2Fh4-6H%2C1-3H3, 26.0, 0.0, 6.0, 2.0, -0.347799986600876, 0.0, 0.0, 11.0, 4.0, 2.11999988555908, 6.0, 28.2413005828857, 0.120964840054512, 1.11500000953674, 14.0, 
InChI%3D1S%2FC11H25N%2Fc1-2-3-4-5-6-7-8-9-10-11-12%2Fh2-12H2%2C1H3, 37.0, 0.0, 0.0, 12.0, -3.27900004386902, 11.0, 1.0, 0.0, 9.0, 2.55999994277954, 0.0, 41.0373992919922, 10.7518405914307, 4.76700019836426, 11.0, 
InChI%3D1S%2FC3H2N2%2Fc4-2-1-3-5%2Fh1H2, 7.0, 0.0, 0.0, 5.0, 0.10419999808073, 3.0, 0.0, 2.0, 0.0, 1.57000005245209, 0.0, 16.9463996887207, 0.0108576398342848, -0.657000005245209, 4.0, 
InChI%3D1S%2FC8H19O3PS2%2Fc1-4-10-12%289%2C11-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3, 33.0, 0.0, 0.0, 14.0, 2.1314001083374, 2.0, 0.0, 4.0, 9.0, 1.67999994754791, 0.0, 64.6414031982422, 4.54286575317383, 2.21600008010864, 13.0, 
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, 38.0, 1.0, 18.0, 3.0, -0.182199999690056, 0.0, 0.0, 24.0, 6.0, 3.22000002861023, 18.0, 12.583399772644, 0.0331968404352665, 7.42000007629395, 26.0, 
InChI%3D1S%2FC7H15NO%2Fc1-6%287%282%299%295-8%283%294%2Fh6H%2C5H2%2C1-4H3, 24.0, 0.0, 0.0, 9.0, 0.270300000905991, 4.0, 0.0, 1.0, 3.0, 2.00999999046326, 0.0, 39.128101348877, 0.0730620920658112, 0.160999998450279, 8.0, 
InChI%3D1S%2FC8H8O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-4H%2C5-6H2, 17.0, 0.0, 6.0, 0.0, 0.113099999725819, 0.0, 0.0, 7.0, 0.0, 2.23000001907349, 6.0, 10.7831001281738, 0.0127916103228927, 2.40000009536743, 10.0, 
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2, 11.0, 0.0, 0.0, 6.0, 2.2056999206543, 3.0, 0.0, 0.0, 2.0, 1.46000003814697, 0.0, 29.6690998077393, 4.8651123046875, 2.37899994850159, 5.0, 
InChI%3D1S%2FC7H9N%2Fc1-8-7-5-3-2-4-6-7%2Fh2-6%2C8H%2C1H3, 17.0, 0.0, 6.0, 2.0, -0.31810000538826, 0.0, 1.0, 7.0, 1.0, 2.11999988555908, 6.0, 8.99670028686523, 0.101187609136105, 2.36700010299683, 8.0, 
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, 29.0, 0.0, 6.0, 4.0, -0.656799972057343, 4.0, 1.0, 13.0, 4.0, 1.78999996185303, 6.0, 25.6818008422852, 0.431386232376099, 4.22300004959106, 17.0, 
InChI%3D1S%2FC6H12O2%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H%2C7%2C8%29, 20.0, 0.0, 0.0, 8.0, -1.01769995689392, 6.0, 1.0, 3.0, 4.0, 1.89999997615814, 0.0, 26.4020004272461, 1.03571331501007, 1.87999999523163, 7.0, 
InChI%3D1S%2FC6H12O%2Fc1-3-4-6%282%295-7%2Fh5-6H%2C3-4H2%2C1-2H3, 19.0, 0.0, 0.0, 7.0, 0.121299996972084, 5.0, 0.0, 1.0, 3.0, 2.00999999046326, 0.0, 28.9101009368896, 0.0147136896848679, 2.01799988746643, 6.0, 
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, 101.0, 1.0, 12.0, 5.0, -2.2260000705719, 0.0, 2.0, 9.0, 0.0, 4.65000009536743, 12.0, 148.869995117188, 4.95507621765137, 1.69799995422363, 66.0, 
InChI%3D1S%2FC6H4N2O5%2Fc9-6-4%287%2810%2911%292-1-3-5%286%298%2812%2913%2Fh1-3%2C9H, 17.0, 0.0, 6.0, 3.0, -0.55349999666214, 0.0, 1.0, 13.0, 2.0, 1.35000002384186, 6.0, 8.33619976043701, 0.306362241506577, 3.32299995422363, 13.0, 
InChI%3D1S%2FC8H7ClO2%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5H%2C1H3, 18.0, 0.0, 6.0, 4.0, 0.755500018596649, 0.0, 0.0, 9.0, 2.0, 2.00999999046326, 6.0, 17.6040000915527, 0.570780277252197, 2.45000004768372, 11.0, 
InChI%3D1S%2FC6HBr5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H, 13.0, 0.0, 6.0, 0.0, 3.98370003700256, 0.0, 1.0, 7.0, 0.0, 1.46000003814697, 6.0, 45.5601005554199, 15.8698654174805, 4.00299978256226, 12.0, 
InChI%3D1S%2FC9H14O3%2Fc1-7%282%299%2810%2912-6-8-4-3-5-11-8%2Fh8H%2C1%2C3-6H2%2C2H3, 26.0, 0.0, 0.0, 7.0, 0.305500000715256, 3.0, 0.0, 5.0, 4.0, 2.11999988555908, 0.0, 40.9855003356934, 0.0933302491903305, 1.06700003147125, 12.0, 
InChI%3D1S%2FC21H20Cl2O3%2Fc1-21%282%2917%2812-18%2822%2923%2919%2821%2920%2824%2925-13-14-7-6-10-16%2811-14%2926-15-8-4-3-5-9-15%2Fh3-12%2C17%2C19H%2C13H2%2C1-2H3, 46.0, 1.0, 12.0, 4.0, 1.8532999753952, 2.0, 0.0, 13.0, 7.0, 3.22000002861023, 12.0, 54.2809982299805, 3.43472099304199, 7.31300020217896, 28.0, 
InChI%3D1S%2FC7H14O%2Fc1-6%282%294-5-7%283%298%2Fh6H%2C4-5H2%2C1-3H3, 22.0, 0.0, 0.0, 8.0, 0.609399974346161, 6.0, 0.0, 1.0, 3.0, 2.11999988555908, 0.0, 34.0391998291016, 0.37136834859848, 2.08400011062622, 7.0, 
InChI%3D1S%2FC2H3Cl3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2, 9.0, 0.0, 0.0, 6.0, 1.23950004577637, 2.0, 1.0, 0.0, 1.0, 1.24000000953674, 0.0, 28.215799331665, 1.53636026382446, 1.33700001239777, 5.0, 
InChI%3D1S%2FC10H8O%2Fc11-10-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7%2C11H, 19.0, 0.0, 11.0, 0.0, -0.460299998521805, 0.0, 1.0, 11.0, 0.0, 2.45000004768372, 10.0, 2.56459999084473, 0.211876094341278, 3.70900011062622, 12.0, 
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, 26.0, 0.0, 11.0, 5.0, 0.235200002789497, 0.0, 1.0, 14.0, 2.0, 2.45000004768372, 10.0, 15.2441997528076, 0.0553190410137177, 4.6729998588562, 16.0, 
InChI%3D1S%2FC4H5N%2Fc1-2-4-5-3-1%2Fh1-5H, 9.0, 0.0, 5.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.78999996185303, 0.0, 0.0, 0.0, 0.934000015258789, 5.0, 
InChI%3D1S%2FC9H13N%2Fc1-10%282%298-9-6-4-3-5-7-9%2Fh3-7H%2C8H2%2C1-2H3, 23.0, 0.0, 6.0, 4.0, 0.229399994015694, 0.0, 0.0, 6.0, 2.0, 2.33999991416931, 6.0, 19.0035991668701, 0.0526243597269058, 2.97099995613098, 10.0, 
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, 38.0, 1.0, 6.0, 8.0, -2.36420011520386, 8.0, 1.0, 7.0, 7.0, 2.89000010490417, 6.0, 32.4557991027832, 5.58944177627563, 6.28299999237061, 15.0, 
InChI%3D1S%2FC3H7ClO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2H2%2C1H3, 12.0, 0.0, 0.0, 5.0, 0.296499997377396, 3.0, 1.0, 0.0, 1.0, 1.57000005245209, 0.0, 22.1889991760254, 0.0879122465848923, 0.726000010967255, 4.0, 
InChI%3D1S%2FC7H8ClN%2Fc1-5-2-3-7%289%296%288%294-5%2Fh2-4H%2C9H2%2C1H3, 17.0, 0.0, 6.0, 0.0, 0.636399984359741, 0.0, 1.0, 7.0, 0.0, 2.00999999046326, 6.0, 15.3397998809814, 0.405004948377609, 2.18499994277954, 9.0, 
InChI%3D1S%2FC7H10N2%2Fc1-9%282%297-5-3-4-6-8-7%2Fh3-6H%2C1-2H3, 19.0, 0.0, 6.0, 3.0, 0.217800006270409, 0.0, 0.0, 7.0, 1.0, 2.00999999046326, 6.0, 14.2913999557495, 0.0474368408322334, 1.49899995326996, 9.0, 
InChI%3D1S%2FC6H14S2%2Fc1-3-7-5-6-8-4-2%2Fh3-6H2%2C1-2H3, 22.0, 0.0, 0.0, 8.0, 1.90980005264282, 2.0, 0.0, 0.0, 5.0, 1.89999997615814, 0.0, 44.9924011230469, 3.64733600616455, 2.99799990653992, 7.0, 
InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29, 20.0, 0.0, 0.0, 10.0, 0.972699999809265, 0.0, 1.0, 6.0, 3.0, 1.46000003814697, 0.0, 40.3573989868164, 0.946145296096802, 1.63300001621246, 9.0, 
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, 42.0, 0.0, 6.0, 7.0, -1.20840001106262, 4.0, 0.0, 12.0, 10.0, 2.77999997138977, 6.0, 45.4515991210938, 1.46023058891296, 4.61199998855591, 20.0, 
InChI%3D1S%2FC7H7F%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C1H3, 15.0, 0.0, 6.0, 0.0, 1.12170004844666, 0.0, 0.0, 6.0, 0.0, 2.11999988555908, 6.0, 6.37459993362427, 1.25821089744568, 3.07800006866455, 8.0, 
InChI%3D1S%2FC5H13N%2Fc1-2-3-4-5-6%2Fh2-6H2%2C1H3, 19.0, 0.0, 0.0, 6.0, -1.55099999904633, 5.0, 1.0, 0.0, 3.0, 1.89999997615814, 0.0, 23.5678005218506, 2.40560102462769, 1.35300004482269, 5.0, 
InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H, 12.0, 0.0, 6.0, 0.0, 0.744300007820129, 0.0, 0.0, 6.0, 0.0, 2.00999999046326, 6.0, 5.61560010910034, 0.553982496261597, 3.1029999256134, 7.0, 
InChI%3D1S%2FC8H6ClNO3%2Fc1-5%2811%296-2-3-7%289%298%284-6%2910%2812%2913%2Fh2-4H%2C1H3, 19.0, 0.0, 6.0, 3.0, 0.443800002336502, 2.0, 0.0, 11.0, 2.0, 1.78999996185303, 6.0, 19.2717990875244, 0.196958437561989, 2.28099989891052, 13.0, 
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, 38.0, 1.0, 18.0, 5.0, -0.0987000018358231, 0.0, 0.0, 23.0, 6.0, 2.89000010490417, 18.0, 11.0087003707886, 0.00974169000983238, 6.93900012969971, 25.0, 
InChI%3D1S%2FC7H4ClNS2%2Fc8-4-1-2-6-5%283-4%299-7%2810%2911-6%2Fh1-3H%2C%28H%2C9%2C10%29, 15.0, 0.0, 10.0, 0.0, 1.84590005874634, 0.0, 1.0, 9.0, 0.0, 1.78999996185303, 9.0, 22.100700378418, 3.40734672546387, 2.62400007247925, 12.0, 
InChI%3D1S%2FC3H5N%2Fc1-2-3-4%2Fh2H2%2C1H3, 9.0, 0.0, 0.0, 4.0, 0.120800003409386, 3.0, 0.0, 1.0, 0.0, 1.67999994754791, 0.0, 16.6464996337891, 0.0145926401019096, 0.284000009298325, 3.0, 
InChI%3D1S%2FC9H18O%2Fc1-3-5-7-9%2810%298-6-4-2%2Fh3-8H2%2C1-2H3, 28.0, 0.0, 0.0, 10.0, -1.24360001087189, 9.0, 0.0, 1.0, 6.0, 2.33999991416931, 0.0, 37.8881988525391, 1.54654097557068, 2.96700000762939, 9.0, 
InChI%3D1S%2FC6H5N3O4%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2812%2913%2Fh1-3H%2C7H2, 18.0, 0.0, 6.0, 3.0, -0.843100011348724, 0.0, 1.0, 13.0, 2.0, 1.35000002384186, 6.0, 9.99370002746582, 0.710817635059357, 2.39800000190735, 13.0, 
InChI%3D1S%2FC4H10O%2Fc1-4%282%293-5%2Fh4-5H%2C3H2%2C1-2H3, 15.0, 0.0, 0.0, 5.0, 0.124200001358986, 3.0, 1.0, 0.0, 1.0, 1.78999996185303, 0.0, 21.5445995330811, 0.0154256401583552, 0.578999996185303, 4.0, 
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-3-2-4-8%2811%295-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, 20.0, 0.0, 6.0, 4.0, -0.532000005245209, 0.0, 2.0, 10.0, 1.0, 2.00999999046326, 6.0, 16.4654006958008, 0.28302401304245, 1.66600000858307, 11.0, 
InChI%3D1S%2FC6H8O%2Fc1-5-3-4-6%282%297-5%2Fh3-4H%2C1-2H3, 15.0, 0.0, 5.0, 0.0, 0.724900007247925, 0.0, 0.0, 5.0, 0.0, 2.00999999046326, 5.0, 13.0840997695923, 0.525480031967163, 2.01200008392334, 7.0, 
InChI%3D1S%2FC11H14O4%2Fc1-7%2812%298-5-6-9%2813-2%2911%2815-4%2910%288%2914-3%2Fh5-6H%2C1-4H3, 29.0, 0.0, 6.0, 2.0, -0.409299999475479, 0.0, 0.0, 11.0, 4.0, 2.23000001907349, 6.0, 32.7178001403809, 0.167526483535767, 0.966000020503998, 15.0, 
InChI%3D1S%2FC6H10O3%2Fc1-3-6%288%299-4-5%282%297%2Fh3%2C5%2C7H%2C1%2C4H2%2C2H3, 19.0, 0.0, 0.0, 9.0, 0.0619000010192394, 3.0, 1.0, 5.0, 4.0, 1.78999996185303, 0.0, 32.937198638916, 0.00383161008358002, 0.284000009298325, 8.0, 
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, 29.0, 0.0, 0.0, 7.0, -0.365799993276596, 2.0, 1.0, 4.0, 4.0, 2.00999999046326, 0.0, 42.7302017211914, 0.133809641003609, 2.95799994468689, 13.0, 
InChI%3D1S%2FC8H16O%2Fc1-3-4-5-6-7-8%282%299%2Fh3-7H2%2C1-2H3, 25.0, 0.0, 0.0, 9.0, -1.31980001926422, 8.0, 0.0, 1.0, 5.0, 2.23000001907349, 0.0, 32.8647003173828, 1.74187207221985, 2.71399998664856, 8.0, 
InChI%3D1S%2FC8H17Br%2Fc1-2-3-4-5-6-7-8-9%2Fh2-8H2%2C1H3, 26.0, 0.0, 0.0, 9.0, -0.776300013065338, 8.0, 0.0, 0.0, 6.0, 2.23000001907349, 0.0, 36.6795997619629, 0.602641701698303, 4.93900012969971, 8.0, 
InChI%3D1S%2FC13H10O2%2Fc14-10-11-6-8-13%289-7-11%2915-12-4-2-1-3-5-12%2Fh1-10H, 25.0, 0.0, 12.0, 2.0, -0.346500009298325, 0.0, 0.0, 15.0, 3.0, 2.67000007629395, 12.0, 7.91300010681152, 0.120062246918678, 4.5460000038147, 16.0, 
InChI%3D1S%2FC4H11NO2%2Fc6-3-1-5-2-4-7%2Fh5-7H%2C1-4H2, 18.0, 0.0, 0.0, 7.0, -1.29460000991821, 2.0, 3.0, 0.0, 4.0, 1.57000005245209, 0.0, 27.2779998779297, 1.67598915100098, -1.59399998188019, 6.0, 
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H, 23.0, 1.0, 12.0, 0.0, -0.460299998521805, 0.0, 1.0, 13.0, 1.0, 2.67000007629395, 12.0, 2.56459999084473, 0.211876094341278, 5.06300020217896, 14.0, 
InChI%3D1S%2FC10H11NO4%2Fc1-14-9%2812%296-3-4-7%288%2811%295-6%2910%2813%2915-2%2Fh3-5H%2C11H2%2C1-2H3, 26.0, 0.0, 6.0, 4.0, -0.727500021457672, 0.0, 1.0, 13.0, 4.0, 2.00999999046326, 6.0, 28.1989002227783, 0.529256224632263, 1.31099998950958, 15.0, 
InChI%3D1S%2FC9H13N%2Fc1-2-10-8-9-6-4-3-5-7-9%2Fh3-7%2C10H%2C2%2C8H2%2C1H3, 23.0, 0.0, 6.0, 4.0, -0.0560999996960163, 2.0, 1.0, 6.0, 3.0, 2.33999991416931, 6.0, 18.0027008056641, 0.00314720999449492, 3.15499997138977, 10.0, 
InChI%3D1S%2FC3H6Cl2%2Fc4-2-1-3-5%2Fh1-3H2, 11.0, 0.0, 0.0, 5.0, 1.22379994392395, 3.0, 0.0, 0.0, 2.0, 1.57000005245209, 0.0, 23.5671997070312, 1.4976863861084, 2.09800004959106, 4.0, 
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, 30.0, 0.0, 6.0, 6.0, 0.570800006389618, 2.0, 1.0, 7.0, 4.0, 2.45000004768372, 6.0, 30.3796005249023, 0.325812637805939, 2.64299988746643, 13.0, 
InChI%3D1S%2FC6H12O2%2Fc1-5%287%298-6%282%2C3%294%2Fh1-4H3, 20.0, 0.0, 0.0, 8.0, 0.952400028705597, 2.0, 0.0, 3.0, 2.0, 1.89999997615814, 0.0, 31.2166004180908, 0.907065749168396, 1.54100000858307, 7.0, 
InChI%3D1S%2FC11H22O%2Fc1-3-4-5-6-7-8-9-10-11%282%2912%2Fh3-10H2%2C1-2H3, 34.0, 0.0, 0.0, 12.0, -2.18379998207092, 11.0, 0.0, 1.0, 8.0, 2.55999994277954, 0.0, 41.5994987487793, 4.76898241043091, 4.4210000038147, 11.0, 
InChI%3D1S%2FC6H4Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H, 12.0, 0.0, 6.0, 0.0, 1.48860001564026, 0.0, 0.0, 6.0, 0.0, 1.89999997615814, 6.0, 11.2312002182007, 2.21592998504639, 2.98799991607666, 8.0, 
InChI%3D1S%2FC9H9N%2Fc1-7-6-10-9-5-3-2-4-8%287%299%2Fh2-6%2C10H%2C1H3, 18.0, 0.0, 10.0, 0.0, 0.642000019550323, 0.0, 1.0, 7.0, 0.0, 2.33999991416931, 6.0, 5.50209999084473, 0.412164002656937, 2.67400002479553, 11.0, 
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, 29.0, 0.0, 12.0, 0.0, -0.433499991893768, 0.0, 0.0, 9.0, 1.0, 2.89000010490417, 12.0, 14.9121999740601, 0.18792225420475, 4.63000011444092, 19.0, 
InChI%3D1S%2FC12H10S2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H, 24.0, 1.0, 12.0, 2.0, 1.18120002746582, 0.0, 0.0, 6.0, 3.0, 2.55999994277954, 12.0, 15.5869998931885, 1.39523339271545, 5.69199991226196, 15.0, 
InChI%3D1S%2FC6H4N2O5%2Fc9-6-2-1-4%287%2810%2911%293-5%286%298%2812%2913%2Fh1-3%2C9H, 17.0, 0.0, 6.0, 3.0, -0.55349999666214, 0.0, 1.0, 13.0, 2.0, 1.35000002384186, 6.0, 8.33619976043701, 0.306362241506577, 2.46499991416931, 13.0, 
InChI%3D1S%2FC5H10O%2Fc1-3-5%286%294-2%2Fh3-4H2%2C1-2H3, 16.0, 0.0, 0.0, 6.0, -0.0916000008583069, 5.0, 0.0, 1.0, 2.0, 1.89999997615814, 0.0, 26.2418003082275, 0.00839055981487036, 0.690999984741211, 5.0, 
InChI%3D1S%2FC6H4Cl2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H, 13.0, 0.0, 6.0, 0.0, 1.02830004692078, 0.0, 1.0, 7.0, 0.0, 1.78999996185303, 6.0, 13.7958002090454, 1.05740094184875, 2.02500009536743, 9.0, 
InChI%3D1S%2FC10H10O2%2Fc1-8%2811%297-10%2812%299-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3, 22.0, 0.0, 6.0, 6.0, -0.482899993658066, 4.0, 0.0, 8.0, 3.0, 2.33999991416931, 6.0, 20.665599822998, 0.233192414045334, 2.97699999809265, 12.0, 
InChI%3D1S%2FC6H14O%2Fc1-2-3-4-5-6-7%2Fh7H%2C2-6H2%2C1H3, 21.0, 0.0, 0.0, 7.0, -1.54939997196198, 6.0, 1.0, 0.0, 4.0, 2.00999999046326, 0.0, 24.8218994140625, 2.40064024925232, 1.9889999628067, 6.0, 
InChI%3D1S%2FC7H6N2O5%2Fc1-4-2-5%288%2811%2912%293-6%287%284%2910%299%2813%2914%2Fh2-3%2C10H%2C1H3, 20.0, 0.0, 6.0, 3.0, 0.0885000005364418, 0.0, 1.0, 13.0, 2.0, 1.46000003814697, 6.0, 13.8382997512817, 0.0078322496265173, 2.57699990272522, 14.0, 
InChI%3D1S%2FC4H10O3%2Fc5-1-3-7-4-2-6%2Fh5-6H%2C1-4H2, 17.0, 0.0, 0.0, 7.0, -1.02830004692078, 2.0, 2.0, 0.0, 4.0, 1.57000005245209, 0.0, 25.5970993041992, 1.05740094184875, -1.39800000190735, 6.0, 
InChI%3D1S%2FC4H11N%2Fc1-3-4%282%295%2Fh4H%2C3%2C5H2%2C1-2H3, 16.0, 0.0, 0.0, 5.0, -0.985700011253357, 4.0, 1.0, 0.0, 1.0, 1.78999996185303, 0.0, 22.3290004730225, 0.971604466438293, 0.675000011920929, 4.0, 
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, 34.0, 0.0, 0.0, 5.0, -0.232700005173683, 4.0, 2.0, 8.0, 4.0, 2.11999988555908, 0.0, 58.051399230957, 0.0541492886841297, 3.06900000572205, 16.0, 
InChI%3D1S%2FC22H26O3%2Fc1-15%282%2910-19-20%2822%2819%2C3%294%2921%2823%2925-14-17-12-18%2824-13-17%2911-16-8-6-5-7-9-16%2Fh5-10%2C12-13%2C19-20H%2C11%2C14H2%2C1-4H3, 51.0, 1.0, 11.0, 4.0, 2.28239989280701, 3.0, 0.0, 6.0, 7.0, 3.54999995231628, 6.0, 58.5063018798828, 5.20934963226318, 7.11299991607666, 27.0, 
InChI%3D1S%2FC6H14S2%2Fc1-5%282%297-8-6%283%294%2Fh5-6H%2C1-4H3, 22.0, 0.0, 0.0, 8.0, 1.28559994697571, 3.0, 0.0, 0.0, 3.0, 1.89999997615814, 0.0, 45.9776000976562, 1.65276730060577, 2.87599992752075, 7.0, 
InChI%3D1S%2FC9H16O2%2Fc1-3-5-6-7-8-11-9%2810%294-2%2Fh4H%2C2-3%2C5-8H2%2C1H3, 27.0, 0.0, 0.0, 11.0, -0.57940000295639, 6.0, 0.0, 5.0, 7.0, 2.23000001907349, 0.0, 38.6211013793945, 0.335704356431961, 3.02099990844727, 10.0, 
InChI%3D1S%2FC7H3Br2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H, 14.0, 0.0, 6.0, 2.0, 1.35199999809265, 0.0, 1.0, 9.0, 0.0, 1.78999996185303, 6.0, 25.9613990783691, 1.82790398597717, 2.04900002479553, 11.0, 
InChI%3D1S%2FC5H12N2%2Fc1-7-4-2-6-3-5-7%2Fh6H%2C2-5H2%2C1H3, 19.0, 0.0, 0.0, 0.0, -0.258500009775162, 0.0, 1.0, 0.0, 0.0, 1.78999996185303, 0.0, 30.7434997558594, 0.0668222531676292, -0.532999992370605, 7.0, 
InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3, 20.0, 0.0, 6.0, 3.0, 0.217800006270409, 0.0, 0.0, 7.0, 1.0, 2.23000001907349, 6.0, 14.2913999557495, 0.0474368408322334, 2.60599994659424, 9.0, 
InChI%3D1S%2FC5H5BrN2%2Fc6-4-1-2-5%287%298-3-4%2Fh1-3H%2C%28H2%2C7%2C8%29, 17.0, 0.0, 0.0, 0.0, 0.120200000703335, 0.0, 2.0, 3.0, 0.0, 1.67999994754791, 0.0, 32.8685989379883, 0.0144480401650071, 1.33299994468689, 8.0, 
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, 34.0, 1.0, 6.0, 11.0, 3.40440011024475, 2.0, 0.0, 6.0, 8.0, 1.89999997615814, 6.0, 63.0668983459473, 11.5899391174316, 5.39900016784668, 18.0, 
InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, 13.0, 0.0, 6.0, 0.0, 1.77260005474091, 0.0, 1.0, 7.0, 0.0, 1.67999994754791, 6.0, 19.4113998413086, 3.14211082458496, 2.12100005149841, 10.0, 
InChI%3D1S%2FC7H8FN%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C9H%2C1H3, 17.0, 0.0, 6.0, 2.0, 0.16159999370575, 0.0, 1.0, 7.0, 1.0, 2.00999999046326, 6.0, 9.86919975280762, 0.0261145606637001, 2.11500000953674, 9.0, 
InChI%3D1S%2FC9H21N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh4-9H2%2C1-3H3, 31.0, 0.0, 0.0, 10.0, -0.66210001707077, 3.0, 0.0, 0.0, 6.0, 2.33999991416931, 0.0, 43.4654998779297, 0.438376396894455, 2.40599989891052, 9.0, 
InChI%3D1S%2FC5H8O2%2Fc1-4%286%293-5%282%297%2Fh3H2%2C1-2H3, 15.0, 0.0, 0.0, 7.0, -0.47299998998642, 5.0, 0.0, 1.0, 2.0, 1.78999996185303, 0.0, 26.0900001525879, 0.223728999495506, 0.231000006198883, 6.0, 
InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3, 21.0, 1.0, 6.0, 3.0, 0.572899997234344, 3.0, 0.0, 6.0, 1.0, 2.45000004768372, 6.0, 14.2678003311157, 0.328214406967163, 5.46199989318848, 9.0, 
InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh5H%2C4H2%2C1H3, 11.0, 0.0, 0.0, 5.0, 0.783699989318848, 4.0, 1.0, 2.0, 0.0, 1.78999996185303, 0.0, 21.3423004150391, 0.614185690879822, 0.368000000715256, 4.0, 
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, 40.0, 1.0, 6.0, 9.0, -2.36260008811951, 9.0, 1.0, 7.0, 8.0, 3.0, 6.0, 33.7098999023438, 5.58187866210938, 6.91900014877319, 16.0, 
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, 29.0, , 11.0, 3.0, , 0.0, 2.0, 17.0, 2.0, 1.46000003814697, 10.0, , , , 18.0, 
InChI%3D1S%2FC4H6O%2Fc1-3-4%282%295%2Fh1%2C4-5H%2C2H3, 11.0, 0.0, 0.0, 5.0, 0.305500000715256, 4.0, 1.0, 2.0, 0.0, 1.78999996185303, 0.0, 19.6254005432129, 0.0933302491903305, 0.294999986886978, 4.0, 
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, 28.0, 0.0, 6.0, 3.0, 0.921400010585785, 0.0, 1.0, 9.0, 2.0, 2.45000004768372, 6.0, 26.5683002471924, 0.848977982997894, 3.94400000572205, 13.0, 
InChI%3D1S%2FC8H18S%2Fc1-3-5-7-9-8-6-4-2%2Fh3-8H2%2C1-2H3, 27.0, 0.0, 0.0, 9.0, -0.435600012540817, 4.0, 0.0, 0.0, 6.0, 2.23000001907349, 0.0, 40.6617012023926, 0.189747363328934, 3.88100004196167, 8.0, 
InChI%3D1S%2FC6H15N%2Fc1-2-3-4-5-6-7%2Fh2-7H2%2C1H3, 22.0, 0.0, 0.0, 7.0, -1.83899998664856, 6.0, 1.0, 0.0, 4.0, 2.00999999046326, 0.0, 26.4794006347656, 3.38192105293274, 1.92200005054474, 6.0, 
InChI%3D1S%2FC5H4ClNO%2Fc6-4-2-1-3-5%288%297-4%2Fh1-3H%2C%28H%2C7%2C8%29, 12.0, 0.0, 6.0, 0.0, 0.0733999982476234, 0.0, 1.0, 7.0, 0.0, 1.67999994754791, 6.0, 8.66679954528809, 0.00538755999878049, 1.41799998283386, 8.0, 
InChI%3D1S%2FC5H8N2O2%2Fc1-5%282%293%288%296-4%289%297-5%2Fh1-2H3%2C%28H2%2C6%2C7%2C8%2C9%29, 17.0, 0.0, 0.0, 0.0, 0.303099989891052, 0.0, 2.0, 6.0, 0.0, 1.57000005245209, 0.0, 30.521900177002, 0.0918696075677872, -0.11599999666214, 9.0, 
InChI%3D1S%2FC7H10O2%2Fc1-4-5-9-7%288%296%282%293%2Fh4H%2C1-2%2C5H2%2C3H3, 19.0, 0.0, 0.0, 9.0, 1.78190004825592, 3.0, 0.0, 5.0, 4.0, 2.00999999046326, 0.0, 35.5802993774414, 3.17516756057739, 1.3289999961853, 8.0, 
InChI%3D1S%2FC13H10O3%2Fc14-12-9-5-4-8-11%2812%2913%2815%2916-10-6-2-1-3-7-10%2Fh1-9%2C14H, 26.0, 1.0, 12.0, 3.0, -0.551400005817413, 0.0, 1.0, 16.0, 3.0, 2.55999994277954, 12.0, 8.85630035400391, 0.30404195189476, 4.57399988174438, 17.0, 
InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29, 13.0, 0.0, 0.0, 6.0, 0.821900010108948, 2.0, 2.0, 4.0, 2.0, 1.46000003814697, 0.0, 19.8181991577148, 0.675519585609436, 0.920000016689301, 5.0, 
InChI%3D1S%2FC12H23N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-11H2%2C1H3, 36.0, 1.0, 0.0, 13.0, -2.47119998931885, 12.0, 0.0, 1.0, 9.0, 2.67000007629395, 0.0, 42.8508987426758, 6.10682964324951, 5.40500020980835, 12.0, 
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3, 17.0, 0.0, 6.0, 2.0, -0.512099981307983, 0.0, 1.0, 8.0, 1.0, 2.00999999046326, 6.0, 9.88039970397949, 0.262246400117874, 1.38900005817413, 9.0, 
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, 44.0, 1.0, 0.0, 18.0, -1.13520002365112, 10.0, 0.0, 3.0, 13.0, 2.55999994277954, 0.0, 59.1324005126953, 1.28867900371552, 3.76999998092651, 17.0, 
InChI%3D1S%2FC7H9N%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6%2C8H2, 17.0, 0.0, 6.0, 2.0, -0.738300025463104, 0.0, 1.0, 6.0, 1.0, 2.11999988555908, 6.0, 8.93430042266846, 0.545086860656738, 2.34200000762939, 8.0, 
InChI%3D1S%2FC2H3Cl2NO%2Fc3-1%284%292%285%296%2Fh1H%2C%28H2%2C5%2C6%29, 9.0, 0.0, 0.0, 6.0, 1.12339997291565, 2.0, 2.0, 3.0, 1.0, 1.24000000953674, 0.0, 23.8766002655029, 1.26202750205994, 0.976999998092651, 5.0, 
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, 42.0, 0.0, 0.0, 16.0, 3.7014000415802, 12.0, 1.0, 2.0, 7.0, 3.0, 0.0, 73.6714019775391, 13.7003622055054, 4.28999996185303, 15.0, 
InChI%3D1S%2FC9H17N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-8H2%2C1H3, 27.0, 0.0, 0.0, 10.0, -1.60720002651215, 9.0, 0.0, 1.0, 6.0, 2.33999991416931, 0.0, 34.1161003112793, 2.58309173583984, 3.69799995422363, 9.0, 
InChI%3D1S%2FC12H12N2%2Fc1%2811-3-7-13-8-4-11%292-12-5-9-14-10-6-12%2Fh3-10H%2C1-2H2, 26.0, 0.0, 12.0, 2.0, 0.124799996614456, 2.0, 0.0, 6.0, 3.0, 2.55999994277954, 12.0, 9.73079967498779, 0.0155750401318073, 3.10599994659424, 15.0, 
InChI%3D1S%2FC6H10Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh5-6H%2C1-4H2%2Ft5-%2C6%3F%2Fm1%2Fs1, 18.0, 0.0, 0.0, 0.0, 0.235799998044968, 0.0, 0.0, 0.0, 0.0, 1.89999997615814, 0.0, 29.6734008789062, 0.055601641535759, 2.71000003814697, 8.0, 
InChI%3D1S%2FC7H16O%2Fc1-5%282%297%288%296%283%294%2Fh5-8H%2C1-4H3, 24.0, 0.0, 0.0, 8.0, 0.63510000705719, 5.0, 1.0, 0.0, 2.0, 2.11999988555908, 0.0, 34.4981002807617, 0.403352022171021, 1.69400000572205, 7.0, 
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, 31.0, 0.0, 0.0, 2.0, 0.656300008296967, 0.0, 1.0, 0.0, 1.0, 2.45000004768372, 0.0, 44.9238014221191, 0.430729687213898, 3.21099996566772, 11.0, 
InChI%3D1S%2FC6H12%2Fc1-2-4-6-5-3-1%2Fh1-6H2, 18.0, 0.0, 0.0, 0.0, -1.72800004482269, 0.0, 0.0, 0.0, 0.0, 2.11999988555908, 0.0, 17.4696006774902, 2.98598408699036, 3.41400003433228, 6.0, 
InChI%3D1S%2FC8H18S%2Fc1-7%282%2C3%299-8%284%2C5%296%2Fh1-6H3, 27.0, 0.0, 0.0, 9.0, 2.65779995918274, 3.0, 0.0, 0.0, 2.0, 2.23000001907349, 0.0, 46.7944984436035, 7.0639009475708, 3.41100001335144, 8.0, 
InChI%3D1S%2FC8H8O3%2Fc1-11-8-4-6%285-9%292-3-7%288%2910%2Fh2-5%2C10H%2C1H3, 19.0, 0.0, 6.0, 2.0, -0.704500019550323, 0.0, 1.0, 10.0, 2.0, 2.00999999046326, 6.0, 16.1742992401123, 0.496320247650146, 1.03999996185303, 11.0, 
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, 44.0, 1.0, 6.0, 10.0, -2.94020009040833, 10.0, 1.0, 7.0, 9.0, 3.10999989509583, 6.0, 38.2789993286133, 8.64477634429932, 7.4210000038147, 17.0, 
InChI%3D1S%2FC7H5F4N%2Fc8-6-2-1-4%2812%293-5%286%297%289%2C10%2911%2Fh1-3H%2C12H2, 17.0, 0.0, 6.0, 3.0, 0.827899992465973, 0.0, 1.0, 7.0, 1.0, 1.67999994754791, 6.0, 11.5291996002197, 0.685418426990509, 2.83899998664856, 12.0, 
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, 34.0, 0.0, 0.0, 5.0, 1.57679998874664, 4.0, 0.0, 6.0, 2.0, 2.77999997138977, 0.0, 60.6614990234375, 2.48629832267761, 3.65000009536743, 14.0, 
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298, 8.0, 0.0, 0.0, 8.0, 3.37639999389648, 2.0, 0.0, 0.0, 1.0, 1.01999998092651, 0.0, 41.8779983520508, 11.4000768661499, 3.88199996948242, 7.0, 
InChI%3D1S%2FC6H12O3%2Fc1-6%282%298-4-5%283-7%299-6%2Fh5%2C7H%2C3-4H2%2C1-2H3, 21.0, 0.0, 0.0, 2.0, -0.673099994659424, 0.0, 1.0, 0.0, 1.0, 1.78999996185303, 0.0, 32.7230987548828, 0.453063607215881, -0.0379999987781048, 9.0, 
InChI%3D1S%2FC6H3Cl3%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H, 12.0, 0.0, 6.0, 0.0, 2.2328999042511, 0.0, 0.0, 6.0, 0.0, 1.78999996185303, 6.0, 16.8467998504639, 4.98584222793579, 3.08400011062622, 9.0, 
InChI%3D1S%2FC5H12N2%2Fc1-5-4-6-2-3-7-5%2Fh5-7H%2C2-4H2%2C1H3, 19.0, 0.0, 0.0, 0.0, -0.80510002374649, 0.0, 2.0, 0.0, 0.0, 1.78999996185303, 0.0, 30.0331993103027, 0.648186028003693, -0.312000006437302, 7.0, 
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, 33.0, 0.0, 12.0, 2.0, 2.97079992294312, 0.0, 2.0, 7.0, 2.0, 2.45000004768372, 12.0, 41.2163009643555, 8.82565307617188, 4.90100002288818, 22.0, 
InChI%3D1S%2FC7H5F4N%2Fc8-4-1-2-6%2812%295%283-4%297%289%2C10%2911%2Fh1-3H%2C12H2, 17.0, 0.0, 6.0, 3.0, 0.827899992465973, 0.0, 1.0, 7.0, 1.0, 1.67999994754791, 6.0, 11.5291996002197, 0.685418426990509, 2.83899998664856, 12.0, 
InChI%3D1S%2FC7H4F3NO3%2Fc8-7%289%2C10%295-3-4%2812%291-2-6%285%2911%2813%2914%2Fh1-3%2C12H, 18.0, 0.0, 6.0, 3.0, 0.591199994087219, 0.0, 1.0, 10.0, 2.0, 1.46000003814697, 6.0, 11.8850002288818, 0.349517434835434, 2.83400011062622, 14.0, 
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H, 11.0, 0.0, 6.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 1.89999997615814, 6.0, 0.0, 0.0, 1.39999997615814, 6.0, 
InChI%3D1S%2FC10H22S2%2Fc1-3-7-11-9-5-6-10-12-8-4-2%2Fh3-10H2%2C1-2H3, 34.0, 0.0, 0.0, 12.0, 0.178200006484985, 4.0, 0.0, 0.0, 9.0, 2.33999991416931, 0.0, 57.8796005249023, 0.0317552387714386, 4.42999982833862, 11.0, 
InChI%3D1S%2FC6H5NO3%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4%2C8H, 15.0, 0.0, 6.0, 3.0, -0.506900012493134, 0.0, 1.0, 10.0, 1.0, 1.67999994754791, 6.0, 5.45039987564087, 0.256947606801987, 2.57800006866455, 10.0, 
InChI%3D1S%2FC5H8N4%2Fc1-3-4%282%298-9-5%286%297-3%2Fh1-2H3%2C%28H2%2C6%2C7%2C9%29, 21.0, 0.0, 0.0, 0.0, -0.888100028038025, 0.0, 4.0, 5.0, 0.0, 1.57000005245209, 0.0, 33.0928993225098, 0.78872162103653, 1.12999999523163, 9.0, 
InChI%3D1S%2FC12H10O2%2Fc13-10-6-8-12%289-7-10%2914-11-4-2-1-3-5-11%2Fh1-9%2C13H, 24.0, 0.0, 12.0, 0.0, -0.614400029182434, 0.0, 1.0, 14.0, 2.0, 2.55999994277954, 12.0, 4.18370008468628, 0.377487361431122, 3.93199992179871, 15.0, 
InChI%3D1S%2FC7H8N2O%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H2%2C9%2C10%29, 18.0, 0.0, 6.0, 3.0, -0.831499993801117, 0.0, 3.0, 10.0, 1.0, 1.89999997615814, 6.0, 12.6984996795654, 0.691392242908478, 2.04900002479553, 10.0, 
InChI%3D1S%2FC6H13NO2%2Fc8-4-1-7-2-5-9-6-3-7%2Fh8H%2C1-6H2, 22.0, 0.0, 0.0, 3.0, -0.531599998474121, 2.0, 1.0, 0.0, 2.0, 1.78999996185303, 0.0, 35.3549003601074, 0.282598555088043, -1.0460000038147, 9.0, 
InChI%3D1S%2FC7H8%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3, 15.0, 0.0, 6.0, 0.0, 0.642000019550323, 0.0, 0.0, 6.0, 0.0, 2.23000001907349, 6.0, 5.50209999084473, 0.412164002656937, 4.38500022888184, 7.0, 
InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%297%282%295-6%2Fh3-5%2C9H%2C1-2H3, 19.0, 0.0, 6.0, 0.0, 0.82370001077652, 0.0, 1.0, 7.0, 0.0, 2.23000001907349, 6.0, 13.5687999725342, 0.678481698036194, 2.47900009155273, 9.0, 
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, 37.0, 0.0, 6.0, 7.0, -1.48740005493164, 6.0, 0.0, 10.0, 8.0, 2.67000007629395, 6.0, 37.4860992431641, 2.21235871315002, 4.04699993133545, 17.0, 
InChI%3D1S%2FC8H7N%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-5H%2C1H3, 16.0, 0.0, 6.0, 2.0, 0.676699995994568, 0.0, 0.0, 8.0, 0.0, 2.23000001907349, 6.0, 11.7006998062134, 0.457922875881195, 3.09999990463257, 9.0, 
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, 42.0, 0.0, 6.0, 7.0, -1.20840001106262, 4.0, 0.0, 12.0, 10.0, 2.77999997138977, 6.0, 45.4515991210938, 1.46023058891296, 4.82299995422363, 20.0, 
InChI%3D1S%2FC6H12O3%2Fc1-3-8-4-5-9-6%282%297%2Fh3-5H2%2C1-2H3, 21.0, 0.0, 0.0, 9.0, 0.140599995851517, 2.0, 0.0, 3.0, 5.0, 1.78999996185303, 0.0, 32.7500991821289, 0.0197683591395617, 0.474000006914139, 8.0, 
InChI%3D1S%2FC6H12O%2Fc7-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2, 19.0, 0.0, 0.0, 0.0, -1.95070004463196, 0.0, 1.0, 0.0, 0.0, 2.00999999046326, 0.0, 20.5205001831055, 3.80523037910461, 1.3289999961853, 7.0, 
InChI%3D1S%2FC8H6Cl2O2%2Fc1-12-8%2811%296-4-5%289%292-3-7%286%2910%2Fh2-4H%2C1H3, 18.0, 0.0, 6.0, 4.0, 1.49979996681213, 0.0, 0.0, 9.0, 2.0, 1.89999997615814, 6.0, 23.2196006774902, 2.24940013885498, 2.5460000038147, 12.0, 
InChI%3D1S%2FC8H9NO2%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3%2C%28H2%2C9%2C10%29, 20.0, 0.0, 6.0, 2.0, -0.133399993181229, 0.0, 2.0, 10.0, 2.0, 2.00999999046326, 6.0, 15.792200088501, 0.0177955608814955, 2.20600008964539, 11.0, 
InChI%3D1S%2FC2H7NO%2Fc3-1-2-4%2Fh4H%2C1-3H2, 11.0, 0.0, 0.0, 4.0, -1.18700003623962, 2.0, 2.0, 0.0, 1.0, 1.46000003814697, 0.0, 16.2110996246338, 1.40896904468536, -1.27499997615814, 3.0, 
InChI%3D1S%2FC5H10O%2Fc1-5%282%293-4-6%2Fh4-5H%2C3H2%2C1-2H3, 16.0, 0.0, 0.0, 6.0, 0.415300011634827, 4.0, 0.0, 2.0, 2.0, 1.89999997615814, 0.0, 25.1109008789062, 0.172474086284637, 1.66400003433228, 5.0, 
InChI%3D1S%2FC3H9N%2Fc1-2-3-4%2Fh2-4H2%2C1H3, 13.0, 0.0, 0.0, 4.0, -0.975000023841858, 3.0, 1.0, 0.0, 1.0, 1.67999994754791, 0.0, 17.7446002960205, 0.950625002384186, 0.215000003576279, 3.0, 
InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%2811%295%289%296%2810%294%282%298%2Fh1%2C11H, 13.0, 0.0, 6.0, 0.0, 2.51690006256104, 0.0, 1.0, 7.0, 0.0, 1.57000005245209, 6.0, 25.0270004272461, 6.33478546142578, 2.21700000762939, 11.0, 
InChI%3D1S%2FC8H7NO4%2Fc1-13-8%2810%296-2-4-7%285-3-6%299%2811%2912%2Fh2-5H%2C1H3, 20.0, 0.0, 6.0, 4.0, -0.0353999994695187, 0.0, 0.0, 12.0, 3.0, 1.78999996185303, 6.0, 14.8741998672485, 0.00125315994955599, 2.2409999370575, 13.0, 
InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3, 15.0, 0.0, 0.0, 5.0, 0.573300004005432, 3.0, 1.0, 0.0, 0.0, 1.78999996185303, 0.0, 22.0650997161865, 0.328672885894775, 0.800999999046326, 4.0, 
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, 15.0, 0.0, 6.0, 3.0, , 0.0, 0.0, 9.0, 1.0, 1.89999997615814, 6.0, , , 2.18499994277954, 9.0, 
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, 29.0, 0.0, 6.0, 2.0, -1.12360000610352, 2.0, 2.0, 8.0, 2.0, 2.23000001907349, 6.0, 34.4664001464844, 1.26247692108154, 3.76099991798401, 18.0, 
InChI%3D1S%2FC9H14O2%2Fc1-2-9%2810%2911-8-6-4-3-5-7-8%2Fh2%2C8H%2C1%2C3-7H2, 25.0, 0.0, 0.0, 5.0, -0.980700016021729, 3.0, 0.0, 5.0, 3.0, 2.23000001907349, 0.0, 34.3196983337402, 0.961772501468658, 2.36100006103516, 11.0, 
InChI%3D1S%2FC7H6O2%2Fc8-5-6-3-1-2-4-7%286%299%2Fh1-5%2C9H, 15.0, 0.0, 6.0, 2.0, -0.652700006961823, 0.0, 1.0, 9.0, 1.0, 2.00999999046326, 6.0, 8.85849952697754, 0.426017284393311, 2.12400007247925, 9.0, 
InChI%3D1S%2FC9H21O2PS3%2Fc1-6-10-12%2813%2C11-7-2%2915-8-14-9%283%2C4%295%2Fh6-8H2%2C1-5H3, 36.0, 0.0, 0.0, 15.0, 3.69370007514954, 2.0, 0.0, 4.0, 8.0, 1.78999996185303, 0.0, 76.9517974853516, 13.6434192657471, 4.50099992752075, 14.0, 
InChI%3D1S%2F2C4H7Cl3O.H2O%2Fc2%2A1-3%282%2C8%294%285%2C6%297%3B%2Fh2%2A8H%2C1-2H3%3B1H2, 33.0, 0.0, 0.0, 8.0, 3.64400005340576, 3.0, 3.0, 0.0, 2.0, 1.35000002384186, 0.0, 74.5431976318359, 13.278736114502, 3.96099996566772, 14.0, 
InChI%3D1S%2FC6H14S2%2Fc1-3-5-7-8-6-4-2%2Fh3-6H2%2C1-2H3, 22.0, 0.0, 0.0, 8.0, 0.731000006198883, 3.0, 0.0, 0.0, 5.0, 1.89999997615814, 0.0, 42.6319999694824, 0.534361004829407, 2.99799990653992, 7.0, 
InChI%3D1S%2FC4H6O2%2Fc5-3-1-2-4-6%2Fh5-6H%2C3-4H2, 12.0, 0.0, 0.0, 6.0, -0.307000011205673, 4.0, 2.0, 2.0, 0.0, 1.67999994754791, 0.0, 23.117000579834, 0.094249002635479, -0.879999995231628, 5.0, 
InChI%3D1S%2FC6H12O%2Fc1-3-5-6%287%294-2%2Fh4%2C6-7H%2C2-3%2C5H2%2C1H3, 19.0, 0.0, 0.0, 7.0, -0.327899992465973, 6.0, 1.0, 2.0, 3.0, 2.00999999046326, 0.0, 27.831600189209, 0.107518412172794, 1.56900000572205, 6.0, 
InChI%3D1S%2FC4H5NO%2Fc1-4-2-6-3-5-4%2Fh2-3H%2C1H3, 11.0, 0.0, 5.0, 0.0, 0.285400003194809, 0.0, 1.0, 0.0, 0.0, 1.67999994754791, 0.0, 7.3516001701355, 0.0814531594514847, 0.583999991416931, 6.0, 
InChI%3D1S%2FC3H6Br2%2Fc4-2-1-3-5%2Fh1-3H2, 11.0, 0.0, 0.0, 5.0, 1.51279997825623, 3.0, 0.0, 0.0, 2.0, 1.57000005245209, 0.0, 29.534200668335, 2.28856372833252, 2.7739999294281, 4.0, 
InChI%3D1S%2FC26H23F2NO4%2Fc1-17%282%2924%2818-11-13-21%2814-12-18%2932-26%2827%2928%2925%2830%2933-23%2816-29%2919-7-6-10-22%2815-19%2931-20-8-4-3-5-9-20%2Fh3-15%2C17%2C23-24%2C26H%2C1-2H3%2Ft23%3F%2C24-%2Fm0%2Fs1, 56.0, 1.0, 18.0, 10.0, 0.830699980258942, 4.0, 0.0, 13.0, 10.0, 3.54999995231628, 18.0, 42.6431999206543, 0.690062463283539, 7.95599985122681, 35.0, 
InChI%3D1S%2FC7H6Cl2O2%2Fc1-11-7-3-5%289%294%288%292-6%287%2910%2Fh2-3%2C10H%2C1H3, 17.0, 0.0, 6.0, 2.0, 0.976499974727631, 0.0, 1.0, 8.0, 1.0, 1.78999996185303, 6.0, 21.1116008758545, 0.95355224609375, 1.5809999704361, 11.0, 
InChI%3D1S%2FC5H8O%2Fc1-3-4-5%282%296%2Fh1%2C5-6H%2C4H2%2C2H3, 14.0, 0.0, 0.0, 6.0, 0.367900013923645, 5.0, 1.0, 2.0, 1.0, 1.89999997615814, 0.0, 24.4908008575439, 0.135350406169891, 0.386999994516373, 5.0, 
InChI%3D1S%2FC9H19NO%2Fc1-4-10%285-2%298-6-7-9%283%2911%2Fh4-8H2%2C1-3H3, 30.0, 0.0, 0.0, 11.0, 0.223100006580353, 5.0, 0.0, 1.0, 6.0, 2.23000001907349, 0.0, 45.8223991394043, 0.0497736111283302, 1.07200002670288, 10.0, 
InChI%3D1S%2FC6H14S%2Fc1-3-5-7-6-4-2%2Fh3-6H2%2C1-2H3, 21.0, 0.0, 0.0, 7.0, 0.140400007367134, 3.0, 0.0, 0.0, 4.0, 2.00999999046326, 0.0, 34.8385009765625, 0.0197121594101191, 2.74300003051758, 6.0, 
InChI%3D1S%2FC9H18O2%2Fc1-2-3-4-5-6-7-8-9%2810%2911%2Fh2-8H2%2C1H3%2C%28H%2C10%2C11%29, 29.0, 0.0, 0.0, 11.0, -1.88170003890991, 9.0, 1.0, 3.0, 7.0, 2.23000001907349, 0.0, 35.1367988586426, 3.54079484939575, 3.58699989318848, 10.0, 
InChI%3D1S%2FC6H4N2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H, 12.0, 0.0, 6.0, 2.0, 0.0346999987959862, 0.0, 0.0, 8.0, 0.0, 1.89999997615814, 6.0, 6.19859981536865, 0.00120408996008337, 1.1360000371933, 8.0, 
InChI%3D1S%2FC13H26O%2Fc1-3-4-5-6-7-8-9-10-11-12-13%282%2914%2Fh3-12H2%2C1-2H3, 40.0, 1.0, 0.0, 14.0, -2.75979995727539, 13.0, 0.0, 1.0, 10.0, 2.77999997138977, 0.0, 47.4226989746094, 7.61649608612061, 5.55900001525879, 13.0, 
InChI%3D1S%2FC10H10O%2Fc1-3-10%282%2C11%299-7-5-4-6-8-9%2Fh1%2C4-8%2C11H%2C2H3, 21.0, 0.0, 6.0, 5.0, 0.459199994802475, 4.0, 1.0, 6.0, 1.0, 2.45000004768372, 6.0, 18.3642997741699, 0.210864633321762, 2.89000010490417, 11.0, 
InChI%3D1S%2FC8H18O%2Fc1-2-3-4-5-6-7-8-9%2Fh9H%2C2-8H2%2C1H3, 27.0, 0.0, 0.0, 9.0, -2.12540006637573, 8.0, 1.0, 0.0, 6.0, 2.23000001907349, 0.0, 30.6450996398926, 4.51732492446899, 3.12700009346008, 8.0, 
InChI%3D1S%2FC8H12N2%2Fc9-7-5-3-1-2-4-6-8-10%2Fh1-6H2, 22.0, 0.0, 0.0, 10.0, -1.01300001144409, 8.0, 0.0, 2.0, 5.0, 2.11999988555908, 0.0, 33.1419982910156, 1.02616894245148, 1.36600005626678, 9.0, 
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, 65.0, 1.0, 0.0, 26.0, -2.03069996833801, 4.0, 0.0, 5.0, 21.0, 2.55999994277954, 0.0, 93.4414978027344, 4.12374258041382, 2.78999996185303, 25.0, 
InChI%3D1S%2FC12H16%2Fc1-5-10-6-8-11%289-7-10%2912%282%2C3%294%2Fh5-9H%2C1H2%2C2-4H3, 28.0, 1.0, 6.0, 3.0, 2.26370000839233, 2.0, 0.0, 8.0, 2.0, 2.77999997138977, 6.0, 29.2740001678467, 5.12433767318726, 6.96000003814697, 12.0, 
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, 31.0, 0.0, 6.0, 5.0, 0.996399998664856, 0.0, 1.0, 11.0, 2.0, 2.33999991416931, 6.0, 35.3858985900879, 0.992812931537628, 3.06699991226196, 17.0, 
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, 40.0, 1.0, 6.0, 3.0, 3.29410004615784, 0.0, 1.0, 7.0, 2.0, 3.0, 6.0, 46.3203010559082, 10.851095199585, 5.95699977874756, 16.0, 
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H, 14.0, 0.0, 6.0, 0.0, -0.92059999704361, 0.0, 2.0, 8.0, 0.0, 1.89999997615814, 6.0, 5.12919998168945, 0.847504377365112, 1.29900002479553, 8.0, 
InChI%3D1S%2FC9H21N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-10H2%2C1H3, 31.0, 0.0, 0.0, 10.0, -2.70300006866455, 9.0, 1.0, 0.0, 7.0, 2.33999991416931, 0.0, 35.2141990661621, 7.30620908737183, 3.62899994850159, 9.0, 
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, 25.0, 0.0, 6.0, 4.0, , 0.0, 0.0, 7.0, 1.0, 2.23000001907349, 6.0, , , 3.46499991416931, 10.0, 
InChI%3D1S%2FC11H12O2%2Fc1-9%282%2911%2812%2913-8-10-6-4-3-5-7-10%2Fh3-7H%2C1%2C8H2%2C2H3, 25.0, 0.0, 6.0, 7.0, 1.07439994812012, 3.0, 0.0, 6.0, 4.0, 2.45000004768372, 6.0, 25.4330997467041, 1.15433537960052, 3.62199997901917, 13.0, 
InChI%3D1S%2FC8H8O%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-6H%2C1H3, 17.0, 0.0, 6.0, 2.0, 0.449600011110306, 0.0, 0.0, 8.0, 1.0, 2.23000001907349, 6.0, 11.7959995269775, 0.202140167355537, 3.40300011634827, 9.0, 
InChI%3D1S%2FC3H10N2%2Fc4-2-1-3-5%2Fh1-5H2, 15.0, 0.0, 0.0, 5.0, -1.76460003852844, 3.0, 2.0, 0.0, 2.0, 1.57000005245209, 0.0, 20.7801990509033, 3.11381316184998, -0.984000027179718, 4.0, 
InChI%3D1S%2FC8H18S2%2Fc1-7%282%2C3%299-10-8%284%2C5%296%2Fh1-6H3, 28.0, 0.0, 0.0, 10.0, 3.24839997291565, 3.0, 0.0, 0.0, 3.0, 2.11999988555908, 0.0, 54.5880012512207, 10.5521020889282, 3.66599988937378, 9.0, 
InChI%3D1S%2FC5H4BrNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H, 12.0, 0.0, 6.0, 0.0, 0.284900009632111, 0.0, 1.0, 7.0, 0.0, 1.67999994754791, 6.0, 11.4834003448486, 0.0811680108308792, 1.25600004196167, 8.0, 
InChI%3D1S%2FC8H14%2Fc1-7%282%295-6-8%283%294%2Fh5-6H%2C1-4H3, 22.0, 0.0, 0.0, 8.0, 3.11240005493164, 6.0, 0.0, 4.0, 1.0, 2.33999991416931, 0.0, 40.2053985595703, 9.68703365325928, 3.12800002098083, 7.0, 
InChI%3D1S%2FC4H11NO%2Fc1-2-5-3-4-6%2Fh5-6H%2C2-4H2%2C1H3, 17.0, 0.0, 0.0, 6.0, -0.504800021648407, 2.0, 2.0, 0.0, 3.0, 1.67999994754791, 0.0, 25.2794990539551, 0.25482302904129, -0.462000012397766, 5.0, 
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, 20.0, 0.0, 6.0, 4.0, -0.532000005245209, 0.0, 2.0, 10.0, 1.0, 2.00999999046326, 6.0, 16.4654006958008, 0.28302401304245, 1.66600000858307, 11.0, 
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-2-1-3-6%284-5%298%289%2910%2Fh1-4H, 14.0, 0.0, 6.0, 2.0, 0.697700023651123, 0.0, 0.0, 9.0, 1.0, 1.67999994754791, 6.0, 8.50139999389648, 0.486785292625427, 2.77900004386902, 10.0, 
InChI%3D1S%2FC7H8O%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5%2C8H%2C1H3, 16.0, 0.0, 6.0, 0.0, 0.181700006127357, 0.0, 1.0, 7.0, 0.0, 2.11999988555908, 6.0, 8.06669998168945, 0.033014889806509, 2.15599989891052, 8.0, 
InChI%3D1S%2FC2H3N%2Fc1-2-3%2Fh1H3, 6.0, 0.0, 0.0, 3.0, 0.044599998742342, 2.0, 0.0, 1.0, 0.0, 1.57000005245209, 0.0, 11.6230001449585, 0.00198915996588767, 0.0309999994933605, 2.0, 
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, 35.0, 1.0, 12.0, 6.0, 0.766600012779236, 2.0, 0.0, 19.0, 6.0, 2.23000001907349, 12.0, 30.2910995483398, 0.58767557144165, 6.44199991226196, 22.0, 
InChI%3D1S%2FC3H8O%2Fc1-2-3-4%2Fh4H%2C2-3H2%2C1H3, 12.0, 0.0, 0.0, 4.0, -0.685400009155273, 3.0, 1.0, 0.0, 1.0, 1.67999994754791, 0.0, 16.0870990753174, 0.469773173332214, 0.282000005245209, 3.0, 
InChI%3D1S%2FC6HCl3N2O4%2Fc7-2-1-3%288%296%2811%2814%2915%294%289%295%282%2910%2812%2913%2Fh1H, 16.0, 0.0, 6.0, 3.0, 2.13969993591309, 0.0, 0.0, 12.0, 2.0, 1.12999999523163, 6.0, 22.6184005737305, 4.57831621170044, 2.85800004005432, 15.0, 
InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3, 27.0, 0.0, 0.0, 9.0, -1.26059997081757, 7.0, 1.0, 0.0, 5.0, 2.23000001907349, 0.0, 35.0635986328125, 1.58911240100861, 2.85500001907349, 8.0, 
InChI%3D1S%2FC10H14O%2Fc1-10%282%2C3%298-4-6-9%2811%297-5-8%2Fh4-7%2C11H%2C1-3H3, 25.0, 0.0, 6.0, 3.0, 1.09590005874634, 0.0, 1.0, 7.0, 1.0, 2.45000004768372, 6.0, 21.6914005279541, 1.20099675655365, 4.05000019073486, 11.0, 
InChI%3D1S%2FC6H8N2%2Fc7-5-3-1-2-4-6-8%2Fh1-4H2, 16.0, 0.0, 0.0, 8.0, -0.437000006437302, 6.0, 0.0, 2.0, 3.0, 1.89999997615814, 0.0, 27.3187999725342, 0.190969005227089, 0.228000000119209, 7.0, 
InChI%3D1S%2FC7H5ClO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H, 15.0, 0.0, 6.0, 2.0, 0.0916000008583069, 0.0, 1.0, 9.0, 1.0, 1.89999997615814, 6.0, 14.474100112915, 0.00839055981487036, 2.0090000629425, 10.0, 
InChI%3D1S%2FC8H6Br4%2Fc9-7%2810%295-3-1-2-4-6%285%298%2811%2912%2Fh1-4%2C7-8H, 18.0, 1.0, 6.0, 3.0, 3.24519991874695, 0.0, 0.0, 6.0, 2.0, 1.89999997615814, 6.0, 42.030200958252, 10.5313234329224, 6.31400012969971, 12.0, 
InChI%3D1S%2FC8H18O%2Fc1-3-5-7-9-8-6-4-2%2Fh3-8H2%2C1-2H3, 27.0, 0.0, 0.0, 9.0, -1.18029999732971, 4.0, 0.0, 0.0, 6.0, 2.23000001907349, 0.0, 34.4873008728027, 1.39310812950134, 2.72000002861023, 8.0, 
InChI%3D1S%2FC10H14O%2Fc11-10-8-2-6-1-7%284-8%295-9%2810%293-6%2Fh6-9H%2C1-5H2, 25.0, 0.0, 0.0, 0.0, -0.853399991989136, 0.0, 0.0, 2.0, 0.0, 2.45000004768372, 0.0, 42.521800994873, 0.728291571140289, 1.84200000762939, 13.0, 
InChI%3D1S%2FC6H14O2%2Fc1-5%287%294-6%282%2C3%298%2Fh5%2C7-8H%2C4H2%2C1-3H3, 22.0, 0.0, 0.0, 8.0, -0.0700000002980232, 5.0, 2.0, 0.0, 2.0, 1.89999997615814, 0.0, 32.6455993652344, 0.00490000005811453, 0.486999988555908, 7.0, 
InChI%3D1S%2FC8H5Cl3O%2Fc1-4%2812%295-2-3-6%289%298%2811%297%285%2910%2Fh2-3H%2C1H3, 17.0, 0.0, 6.0, 3.0, 1.97899997234344, 2.0, 0.0, 8.0, 1.0, 1.89999997615814, 6.0, 27.6172008514404, 3.91644096374512, 2.58599996566772, 12.0, 
InChI%3D1S%2FC7H7NO2.ClH%2Fc9-7%2810%296-8-4-2-1-3-5-8%3B%2Fh1-5H%2C6H2%3B1H, 20.0, 0.0, 6.0, 4.0, -2.56329989433289, 2.0, 1.0, 3.0, 2.0, 1.78999996185303, 0.0, 9.50349998474121, 6.57050704956055, 0.781000018119812, 10.0, 
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, 27.0, 0.0, 12.0, 3.0, -0.541899979114532, 0.0, 2.0, 16.0, 2.0, 2.55999994277954, 12.0, 11.0410003662109, 0.293655604124069, 4.63000011444092, 17.0, 
InChI%3D1S%2FC12H8ClNO3%2Fc13-9-5-7-10%288-6-9%2917-12-4-2-1-3-11%2812%2914%2815%2916%2Fh1-8H, 25.0, 0.0, 12.0, 2.0, 0.543600022792816, 0.0, 0.0, 16.0, 3.0, 2.23000001907349, 12.0, 10.1204996109009, 0.295500963926315, 4.66699981689453, 18.0, 
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, 37.0, 1.0, 12.0, 3.0, 1.20969998836517, 0.0, 0.0, 15.0, 4.0, 3.10999989509583, 12.0, 27.0398006439209, 1.46337413787842, 6.55200004577637, 20.0, 
InChI%3D1S%2FC8H10O%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6%2C9H%2C2H2%2C1H3, 19.0, 0.0, 6.0, 2.0, -0.153400003910065, 2.0, 1.0, 7.0, 1.0, 2.23000001907349, 6.0, 12.9151000976562, 0.0235315598547459, 2.93600010871887, 9.0, 
InChI%3D1S%2FC8H12O2%2Fc1-8%282%294-6%289%293-7%2810%295-8%2Fh3-5H2%2C1-2H3, 22.0, 0.0, 0.0, 0.0, 0.49099999666214, 0.0, 0.0, 2.0, 0.0, 2.11999988555908, 0.0, 37.964298248291, 0.24108099937439, 0.573000013828278, 10.0, 
InChI%3D1S%2FC7H11ClO4%2Fc1-3-11-6%289%295%288%297%2810%2912-4-2%2Fh5H%2C3-4H2%2C1-2H3, 23.0, 0.0, 0.0, 12.0, 1.11039996147156, 3.0, 0.0, 3.0, 6.0, 1.67999994754791, 0.0, 41.502799987793, 1.23298811912537, 1.38699996471405, 11.0, 
InChI%3D1S%2FC7H13N3O3S%2Fc1-8-7%2812%2913-9-5%2814-4%296%2811%2910%282%293%2Fh1-4H3%2C%28H%2C8%2C12%29, 27.0, 0.0, 0.0, 14.0, 0.532599985599518, 2.0, 1.0, 9.0, 5.0, 1.46000003814697, 0.0, 53.7678985595703, 0.283662766218185, 0.953999996185303, 13.0, 
InChI%3D1S%2FC13H10ClNO%2Fc14-10-7-5-9%286-8-10%2913%2816%2911-3-1-2-4-12%2811%2915%2Fh1-8H%2C15H2, 26.0, 0.0, 12.0, 1.0, -0.269400000572205, 0.0, 1.0, 15.0, 2.0, 2.55999994277954, 12.0, 15.1836996078491, 0.0725763589143753, 4.11700010299683, 17.0, 
InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh2-3H%2C1H2, 8.0, 0.0, 0.0, 4.0, 0.408399999141693, 3.0, 0.0, 4.0, 1.0, 1.67999994754791, 0.0, 16.3659992218018, 0.166790559887886, 0.293000012636185, 3.0, 
InChI%3D1S%2FC2H8N2%2Fc3-1-2-4%2Fh1-4H2, 12.0, 0.0, 0.0, 4.0, -1.47660005092621, 2.0, 2.0, 0.0, 1.0, 1.46000003814697, 0.0, 17.8686008453369, 2.18034744262695, -1.34200000762939, 3.0, 
InChI%3D1S%2FC8H12N2O2S%2Fc1-3-9-6%2811%295-7%2812%2910%284-2%298%289%2913%2Fh3-5H2%2C1-2H3, 25.0, 0.0, 0.0, 2.0, 0.764599978923798, 2.0, 0.0, 8.0, 2.0, 1.78999996185303, 0.0, 52.3466987609863, 0.584613144397736, -0.247999995946884, 13.0, 
InChI%3D1S%2FC6H7N%2Fc1-6-3-2-4-7-5-6%2Fh2-5H%2C1H3, 14.0, 0.0, 6.0, 0.0, 0.642000019550323, 0.0, 0.0, 6.0, 0.0, 2.00999999046326, 6.0, 5.50209999084473, 0.412164002656937, 1.51199996471405, 7.0, 
InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2, 14.0, 0.0, 0.0, 0.0, -0.261799991130829, 0.0, 0.0, 0.0, 0.0, 1.67999994754791, 0.0, 22.0869998931885, 0.0685392394661903, -0.379999995231628, 6.0, 
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H, 14.0, 0.0, 6.0, 3.0, -0.0465999990701675, 0.0, 0.0, 9.0, 1.0, 1.78999996185303, 6.0, 2.88579988479614, 0.00217155995778739, 2.89400005340576, 9.0, 
InChI%3D1S%2FC2H5ClO%2Fc3-1-2-4%2Fh4H%2C1-2H2, 9.0, 0.0, 0.0, 4.0, 0.307200014591217, 2.0, 1.0, 0.0, 1.0, 1.46000003814697, 0.0, 17.6046009063721, 0.0943718403577805, 0.266000002622604, 3.0, 
InChI%3D1S%2FC3H6Br2O%2Fc4-1-3%285%292-6%2Fh3%2C6H%2C1-2H2, 12.0, 0.0, 0.0, 6.0, 1.29009997844696, 3.0, 1.0, 0.0, 2.0, 1.46000003814697, 0.0, 32.5850982666016, 1.6643580198288, 1.5809999704361, 5.0, 
InChI%3D1S%2FC6H4Cl2O2%2Fc7-3-1-5%289%296%2810%292-4%283%298%2Fh1-2%2C9-10H, 14.0, 0.0, 6.0, 0.0, 0.568000018596649, 0.0, 2.0, 8.0, 0.0, 1.67999994754791, 6.0, 16.3603992462158, 0.322623997926712, 1.49100005626678, 10.0, 
InChI%3D1S%2FC6H3I3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, 13.0, 0.0, 6.0, 0.0, 3.79999995231628, 0.0, 1.0, 7.0, 0.0, 1.67999994754791, 6.0, 44.4031982421875, 14.4399995803833, 3.73499989509583, 10.0, 
InChI%3D1S%2FC9H19NO%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh9H%2C3-8H2%2C1-2H3, 30.0, 0.0, 0.0, 11.0, -1.72990000247955, 4.0, 0.0, 3.0, 7.0, 2.23000001907349, 0.0, 41.6621017456055, 2.99255394935608, 2.31599998474121, 10.0, 
InChI%3D1S%2FC12H9NO%2Fc14-12%2810-4-2-1-3-5-10%2911-6-8-13-9-7-11%2Fh1-9H, 23.0, 0.0, 12.0, 2.0, -0.263799995183945, 0.0, 0.0, 14.0, 2.0, 2.55999994277954, 12.0, 5.34600019454956, 0.0695904418826103, 3.64800000190735, 15.0, 
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, 52.0, 1.0, 0.0, 2.0, 1.96809995174408, 2.0, 1.0, 3.0, 2.0, 3.44000005722046, 0.0, 89.8181991577148, 3.8734176158905, 6.31599998474121, 24.0, 
InChI%3D1S%2FC6H2Cl4O2%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh11-12H, 14.0, 0.0, 6.0, 0.0, 2.05660009384155, 0.0, 2.0, 8.0, 0.0, 1.46000003814697, 6.0, 27.5916004180908, 4.22960376739502, 1.68299996852875, 12.0, 
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, 29.0, 1.0, 12.0, 6.0, 2.43160009384155, 2.0, 1.0, 6.0, 3.0, 2.33999991416931, 12.0, 37.0377998352051, 5.91267871856689, 6.1100001335144, 21.0, 
InChI%3D1S%2FC7H17N%2Fc1-2-3-4-5-6-7-8%2Fh2-8H2%2C1H3, 25.0, 0.0, 0.0, 8.0, -2.12700009346008, 7.0, 1.0, 0.0, 5.0, 2.11999988555908, 0.0, 29.3910007476807, 4.52412891387939, 2.4909999370575, 7.0, 
InChI%3D1S%2FC9H10O3%2Fc1-6%2810%298-4-3-7%2812-2%295-9%288%2911%2Fh3-5%2C11H%2C1-2H3, 22.0, 0.0, 6.0, 2.0, -0.765999972820282, 0.0, 1.0, 10.0, 2.0, 2.11999988555908, 6.0, 20.6508007049561, 0.586755990982056, 1.32000005245209, 12.0, 
InChI%3D1S%2FC5H10O%2Fc1-2-3-4-5-6%2Fh5H%2C2-4H2%2C1H3, 16.0, 0.0, 0.0, 6.0, -0.682299971580505, 5.0, 0.0, 1.0, 3.0, 1.89999997615814, 0.0, 22.5650005340576, 0.465533286333084, 1.72500002384186, 5.0, 
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2%2Fb2-1%2B, 9.0, 0.0, 0.0, 5.0, 1.51820003986359, 3.0, 0.0, 2.0, 1.0, 1.57000005245209, 0.0, 25.2765998840332, 2.30493116378784, 2.09899997711182, 4.0, 
InChI%3D1S%2FC7H15Br%2Fc1-2-3-4-5-6-7-8%2Fh2-7H2%2C1H3, 23.0, 0.0, 0.0, 8.0, -0.488299995660782, 7.0, 0.0, 0.0, 5.0, 2.11999988555908, 0.0, 33.7680015563965, 0.23843689262867, 4.36999988555908, 7.0, 
InChI%3D1S%2FC10H23N%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh2-11H2%2C1H3, 34.0, 0.0, 0.0, 11.0, -2.9909999370575, 10.0, 1.0, 0.0, 8.0, 2.45000004768372, 0.0, 38.1258010864258, 8.94608116149902, 4.19799995422363, 10.0, 
InChI%3D1S%2FC6H4Cl2%2Fc7-5-2-1-3-6%288%294-5%2Fh1-4H, 12.0, 0.0, 6.0, 0.0, 1.48860001564026, 0.0, 0.0, 6.0, 0.0, 1.89999997615814, 6.0, 11.2312002182007, 2.21592998504639, 2.98799991607666, 8.0, 
InChI%3D1S%2FC3H9NO%2Fc1-5-3-2-4%2Fh2-4H2%2C1H3, 14.0, 0.0, 0.0, 5.0, -0.778500020503998, 2.0, 1.0, 0.0, 2.0, 1.57000005245209, 0.0, 20.9622993469238, 0.606062233448029, -0.755999982357025, 4.0, 
InChI%3D1S%2FC8H16O%2Fc1-7%282%295-6-8%283%2C4%299-7%2Fh5-6H2%2C1-4H3, 25.0, 0.0, 0.0, 0.0, 1.54530000686646, 0.0, 0.0, 0.0, 0.0, 2.23000001907349, 0.0, 38.0587005615234, 2.38795208930969, 2.27999997138977, 9.0, 
InChI%3D1S%2FC5H8O3%2Fc1-2-5%287%298-4-3-6%2Fh2%2C6H%2C1%2C3-4H2, 16.0, 0.0, 0.0, 8.0, 0.0725999996066093, 3.0, 1.0, 5.0, 4.0, 1.67999994754791, 0.0, 28.3528003692627, 0.00527076004073024, -0.175999999046326, 7.0, 
InChI%3D1S%2FC6H6N2O2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H%2C7H2, 16.0, 0.0, 6.0, 2.0, -0.796500027179718, 0.0, 1.0, 10.0, 1.0, 1.67999994754791, 6.0, 7.10790014266968, 0.634412229061127, 1.65299999713898, 10.0, 
InChI%3D1S%2FC7H6O3%2Fc8-4-5-1-2-6%289%293-7%285%2910%2Fh1-4%2C9-10H, 16.0, 0.0, 6.0, 2.0, -1.11300003528595, 0.0, 2.0, 10.0, 1.0, 1.89999997615814, 6.0, 11.4231004714966, 1.23876905441284, 0.949999988079071, 10.0, 
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, 42.0, 0.0, 6.0, 7.0, -0.880800008773804, 3.0, 1.0, 9.0, 9.0, 2.45000004768372, 6.0, 49.611400604248, 0.77580863237381, 0.935000002384186, 19.0, 
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3, 18.0, 0.0, 6.0, 2.0, 0.30689999461174, 2.0, 0.0, 6.0, 1.0, 2.33999991416931, 6.0, 10.3505001068115, 0.0941876098513603, 4.9539999961853, 8.0, 
InChI%3D1S%2FC8H10%2Fc1-7-3-5-8%282%296-4-7%2Fh3-6H%2C1-2H3, 18.0, 0.0, 6.0, 0.0, 1.28400003910065, 0.0, 0.0, 6.0, 0.0, 2.33999991416931, 6.0, 11.0041999816895, 1.64865601062775, 4.70800018310547, 8.0, 
InChI%3D1S%2FC13H8Cl2O2%2Fc14-12-5-4-11%287-13%2812%2915%2917-10-3-1-2-9%286-10%298-16%2Fh1-8H, 25.0, 0.0, 12.0, 2.0, 1.14209997653961, 0.0, 0.0, 15.0, 3.0, 2.45000004768372, 12.0, 19.1441993713379, 1.30439245700836, 4.52699995040894, 18.0, 
InChI%3D1S%2FC25H22ClNO3%2Fc1-17%282%2924%2818-11-13-20%2826%2914-12-18%2925%2828%2930-23%2816-27%2919-7-6-10-22%2815-19%2929-21-8-4-3-5-9-21%2Fh3-15%2C17%2C23-24H%2C1-2H3, 52.0, 1.0, 18.0, 10.0, 0.804899990558624, 4.0, 0.0, 13.0, 8.0, 3.66000008583069, 18.0, 40.937198638916, 0.647863984107971, 7.78200006484985, 32.0, 
InChI%3D1S%2FC8H8O4%2Fc1-12-8%2811%296-3-2-5%289%294-7%286%2910%2Fh2-4%2C9-10H%2C1H3, 20.0, 0.0, 6.0, 4.0, -0.90939998626709, 0.0, 2.0, 11.0, 2.0, 1.89999997615814, 6.0, 17.1175994873047, 0.827008366584778, 0.85699999332428, 12.0, 
InChI%3D1S%2FC9H18O%2Fc1-3-4-5-6-7-8-9%282%2910%2Fh3-8H2%2C1-2H3, 28.0, 0.0, 0.0, 10.0, -1.60780000686646, 9.0, 0.0, 1.0, 6.0, 2.33999991416931, 0.0, 35.7762985229492, 2.58502078056335, 3.28299999237061, 9.0, 
InChI%3D1S%2FC8H8O3%2Fc1-11-7-4-2-3-6%285-9%298%287%2910%2Fh2-5%2C10H%2C1H3, 19.0, 0.0, 6.0, 2.0, -0.704500019550323, 0.0, 1.0, 10.0, 2.0, 2.00999999046326, 6.0, 16.1742992401123, 0.496320247650146, 1.46899998188019, 11.0, 
InChI%3D1S%2FC8H14O3%2Fc1-4-10-5-6-11-8%289%297%282%293%2Fh2%2C4-6H2%2C1%2C3H3, 25.0, 0.0, 0.0, 11.0, 1.28460001945496, 3.0, 0.0, 5.0, 6.0, 2.00999999046326, 0.0, 41.7549018859863, 1.65019714832306, 0.947000026702881, 10.0, 
InChI%3D1S%2FC10H22N2%2Fc1-9%282%2C11%298-4-6-10%283%2C12%297-5-8%2Fh8H%2C4-7%2C11-12H2%2C1-3H3, 34.0, 0.0, 0.0, 3.0, -0.0348000004887581, 0.0, 2.0, 0.0, 1.0, 2.33999991416931, 0.0, 50.8577003479004, 0.00121103995479643, 1.442999958992, 12.0, 
InChI%3D1S%2FC6H6BrN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2, 14.0, 0.0, 6.0, 0.0, 0.138899996876717, 0.0, 1.0, 7.0, 0.0, 1.89999997615814, 6.0, 12.8212003707886, 0.0192932095378637, 2.20000004768372, 8.0, 
InChI%3D1S%2FC8H6ClN%2Fc1-6-3-2-4-8%289%297%286%295-10%2Fh2-4H%2C1H3, 16.0, 0.0, 6.0, 2.0, 1.4210000038147, 0.0, 0.0, 8.0, 0.0, 2.11999988555908, 6.0, 17.3162994384766, 2.01924109458923, 2.7739999294281, 10.0, 
InChI%3D1S%2FC13H13NO%2Fc14-12-7-4-8-13%289-12%2915-10-11-5-2-1-3-6-11%2Fh1-9H%2C10%2C14H2, 28.0, 0.0, 12.0, 2.0, -0.892400026321411, 0.0, 1.0, 8.0, 3.0, 2.67000007629395, 12.0, 10.5534000396729, 0.796377778053284, 4.23000001907349, 16.0, 
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29, 11.0, 0.0, 5.0, 0.0, 0.0513000003993511, 0.0, 2.0, 0.0, 0.0, 1.67999994754791, 0.0, 5.89870023727417, 0.00263168988749385, 0.535000026226044, 6.0, 
InChI%3D1S%2FC6H12ClN.ClH%2Fc7-3-6-8-4-1-2-5-8%3B%2Fh1-6H2%3B1H, 22.0, 0.0, 0.0, 3.0, 0.227899998426437, 2.0, 0.0, 0.0, 2.0, 1.78999996185303, 0.0, 33.1856002807617, 0.0519384108483791, 1.84599995613098, 8.0, 
InChI%3D1S%2FC9H13N%2Fc1-3-10-9-6-4-5-8%282%297-9%2Fh4-7%2C10H%2C3H2%2C1-2H3, 23.0, 0.0, 6.0, 3.0, 0.574299991130829, 2.0, 1.0, 7.0, 2.0, 2.33999991416931, 6.0, 18.7926006317139, 0.329820483922958, 3.11299991607666, 10.0, 
InChI%3D1S%2FC8H19N%2Fc1-7%282%2C3%296-8%284%2C5%299%2Fh6%2C9H2%2C1-5H3, 28.0, 0.0, 0.0, 9.0, 1.72160005569458, 5.0, 1.0, 0.0, 2.0, 2.23000001907349, 0.0, 41.8714981079102, 2.96390652656555, 2.77500009536743, 8.0, 
InChI%3D1S%2FC2H5NO%2Fc1-2-3-4%2Fh2%2C4H%2C1H3, 9.0, 0.0, 0.0, 4.0, -0.140599995851517, 2.0, 1.0, 3.0, 0.0, 1.46000003814697, 0.0, 15.2531995773315, 0.0197683591395617, 0.577000021934509, 3.0, 
InChI%3D1S%2FC3H6O2.Na%2Fc1-2-3%284%295%3B%2Fh2H2%2C1H3%2C%28H%2C4%2C5%29%3B%2Fq%3B%2B1%2Fp-1, 11.0, 0.0, 0.0, 5.0, , 3.0, 0.0, 3.0, 1.0, 1.46000003814697, 0.0, , , -0.30799999833107, 4.0, 
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, 29.0, 0.0, 0.0, 0.0, 0.943199992179871, 0.0, 1.0, 0.0, 0.0, 2.45000004768372, 0.0, 44.2816009521484, 0.889626264572144, 2.73399996757507, 12.0, 
InChI%3D1S%2FC6H11NO%2Fc8-7-6-4-2-1-3-5-6%2Fh8H%2C1-5H2, 19.0, 0.0, 0.0, 2.0, -1.01629996299744, 0.0, 1.0, 3.0, 0.0, 1.89999997615814, 0.0, 26.7140998840332, 1.03286564350128, 1.16299998760223, 8.0, 
InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3, 21.0, 1.0, 6.0, 0.0, 1.92599999904633, 0.0, 0.0, 6.0, 0.0, 2.45000004768372, 6.0, 16.5062999725342, 3.70947599411011, 5.0310001373291, 9.0, 
InChI%3D1S%2FC7H12O%2Fc1-3-5-6-7%288%294-2%2Fh2%2C7-8H%2C3%2C5-6H2%2C1H3, 20.0, 0.0, 0.0, 8.0, -0.558499991893768, 7.0, 1.0, 2.0, 3.0, 2.11999988555908, 0.0, 28.360200881958, 0.311922252178192, 1.79100000858307, 7.0, 
InChI%3D1S%2FC7H12O2%2Fc1-5%282%297%288%299-6%283%294%2Fh6H%2C1H2%2C2-4H3, 21.0, 0.0, 0.0, 9.0, 1.11500000953674, 3.0, 0.0, 5.0, 3.0, 2.00999999046326, 0.0, 35.9161987304688, 1.24322497844696, 1.59700000286102, 8.0, 
InChI%3D1S%2FC5H10O2%2Fc1-3-4-7-5%282%296%2Fh3-4H2%2C1-2H3, 17.0, 0.0, 0.0, 7.0, -0.306300014257431, 3.0, 0.0, 3.0, 3.0, 1.78999996185303, 0.0, 25.2385997772217, 0.0938196927309036, 1.02199995517731, 6.0, 
InChI%3D1S%2FC5H13N%2Fc1-4%282%295%283%296%2Fh4-5H%2C6H2%2C1-3H3, 19.0, 0.0, 0.0, 6.0, -0.176100000739098, 4.0, 1.0, 0.0, 1.0, 1.89999997615814, 0.0, 27.7865009307861, 0.0310112107545137, 0.972000002861023, 5.0,