Moved csv files

20 files changed, 0 insertions, 10150 deletions

diff --git a/5x_cv/FHM_constitutional.csv b/5x_cv/FHM_constitutional.csv
deleted file mode 100644
index 8a23002..0000000
--- a/5x_cv/FHM_constitutional.csv
+++ /dev/null
@@ -1,581 +0,0 @@
-SMILES,MLogP,ALogp2,nAtomLAC,AMR,XLogP,nAtomP,naAromAtom,nB,nAtom,LipinksiFailures,nAtomLC,ALogP,LipinskiFailures,nRotB,nHBDon,nAromBond
-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, 1.78999996185303, 0.000585640023928136, 0.0, 26.8626003265381, 1.79900002479553, 15.0, 6.0, 17.0, 26.0, , 4.0, -0.0241999998688698, 0.0, 5.0, 0.0, 6.0
-InChI%3D1S%2FC12H17NO%2Fc1-4-13%285-2%2912%2814%2911-8-6-7-10%283%299-11%2Fh6-9H%2C4-5H2%2C1-3H3, 2.55999994277954, 0.507798731327057, 2.0, 32.9245986938477, 3.76699995994568, 9.0, 6.0, 14.0, 31.0, , 7.0, 0.712599992752075, 0.0, 4.0, 0.0, 6.0
-InChI%3D1S%2FC5H4ClNO%2Fc6-4-1-2-5%288%297-3-4%2Fh1-3H%2C%28H%2C7%2C8%29, 1.67999994754791, 0.080655999481678, 0.0, 8.18019962310791, 1.03299999237061, 7.0, 6.0, 8.0, 12.0, , 0.0, 0.284000009298325, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC8H8Cl2%2Fc9-5-7-1-2-8%286-10%294-3-7%2Fh1-4H%2C5-6H2, 2.11999988555908, 2.28553915023804, 0.0, 20.6555995941162, 3.7039999961853, 6.0, 6.0, 10.0, 18.0, , 2.0, 1.51180005073547, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC9H11N%2Fc1-2-8-10-9-6-4-3-5-7-9%2Fh2-7%2C10H%2C1%2C8H2, 2.33999991416931, 0.0892216935753822, 3.0, 18.1594009399414, 2.98200011253357, 7.0, 6.0, 10.0, 21.0, , 4.0, 0.298700004816055, 0.0, 3.0, 1.0, 6.0
-InChI%3D1S%2FC7H8O%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5%2C8H%2C1H3, 2.11999988555908, 0.033014889806509, 0.0, 8.06669998168945, 2.36700010299683, 7.0, 6.0, 8.0, 16.0, , 0.0, 0.181700006127357, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC10H22O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-10H2%2C1H3, 2.45000004768372, 7.29756212234497, 10.0, 36.4682998657227, 4.2649998664856, 0.0, 0.0, 10.0, 33.0, , 11.0, -2.7014000415802, 0.0, 8.0, 1.0, 0.0
-InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2, 1.57000005245209, 1.57954621315002, 0.0, 9.67249965667725, 1.54799997806549, 11.0, 6.0, 11.0, 17.0, , 2.0, -1.25680005550385, 0.0, 1.0, 2.0, 6.0
-InChI%3D1S%2FC8H9NO%2Fc1-6%2810%297-3-2-4-8%289%295-7%2Fh2-5H%2C9H2%2C1H3, 2.11999988555908, 1.00761449337006, 0.0, 14.9925003051758, 1.26800000667572, 9.0, 6.0, 10.0, 19.0, , 2.0, -1.00380003452301, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC10H19O6PS2%2Fc1-5-15-9%2811%297-8%2810%2812%2916-6-2%2919-17%2818%2C13-3%2914-4%2Fh8H%2C5-7H2%2C1-4H3, 1.57000005245209, 3.85768890380859, 4.0, 77.2726974487305, 2.00699996948242, 4.0, 0.0, 18.0, 38.0, , 19.0, 1.96410000324249, 1.0, 11.0, 0.0, 0.0
-InChI%3D1S%2FC3HBr3N2%2Fc4-1-2%285%298-3%286%297-1%2Fh%28H%2C7%2C8%29, 1.24000000953674, 3.97523832321167, 0.0, 26.6382007598877, 2.49499988555908, 0.0, 0.0, 8.0, 8.0, , 0.0, 1.99380004405975, 0.0, 0.0, 2.0, 5.0
-InChI%3D1S%2FC12H24O%2Fc1-3-4-5-6-7-8-9-10-11-12%282%2913%2Fh3-11H2%2C1-2H3, 2.67000007629395, 6.10979509353638, 12.0, 44.511100769043, 4.98999977111816, 1.0, 0.0, 12.0, 37.0, , 13.0, -2.47180008888245, 0.0, 9.0, 0.0, 0.0
-InChI%3D1S%2F2C9H13N.H2O4S%2Fc2%2A1-8%2810%297-9-5-3-2-4-6-9%3B1-5%282%2C3%294%2Fh2%2A2-6%2C8H%2C7%2C10H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29, 2.67000007629395, 4.12496089935303, 3.0, 49.9654006958008, 5.40000009536743, 6.0, 12.0, 24.0, 53.0, , 5.0, -2.03099989891052, 1.0, 4.0, 4.0, 12.0
-InChI%3D1S%2FC4H10O%2Fc1-2-3-4-5%2Fh5H%2C2-4H2%2C1H3, 1.78999996185303, 0.947507560253143, 4.0, 18.9986991882324, 0.851000010967255, 0.0, 0.0, 4.0, 15.0, , 5.0, -0.973399996757507, 0.0, 2.0, 1.0, 0.0
-InChI%3D1S%2FC20H34O%2Fc1-7-19%285%2C21%2914-11-16-15%282%299-10-17-18%283%2C4%2912-8-13-20%2816%2C17%296%2Fh7%2C16-17%2C21H%2C1-2%2C8-14H2%2C3-6H3%2Ft16-%2C17%3F%2C19%2B%2C20%2B%2Fm0%2Fs1, 3.54999995231628, 6.27151870727539, 5.0, 89.8442993164062, 7.24399995803833, 2.0, 0.0, 22.0, 55.0, , 7.0, 2.50430011749268, 1.0, 4.0, 1.0, 0.0
-InChI%3D1S%2FC8H16O2%2Fc1-3-4-5-6-7-10-8%282%299%2Fh3-7H2%2C1-2H3, 2.11999988555908, 1.36960208415985, 6.0, 33.9734001159668, 2.72900009155273, 3.0, 0.0, 9.0, 26.0, , 10.0, -1.17030000686646, 0.0, 6.0, 0.0, 0.0
-InChI%3D1S%2FC4H8O%2Fc1-2-3-4-5%2Fh4H%2C2-3H2%2C1H3, 1.78999996185303, 0.155472487211227, 4.0, 19.6534004211426, 1.15600001811981, 1.0, 0.0, 4.0, 13.0, , 5.0, -0.394300013780594, 0.0, 2.0, 0.0, 0.0
-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, 2.00999999046326, 16.0112018585205, 0.0, 43.4238014221191, 3.76799988746643, 7.0, 12.0, 22.0, 27.0, , 0.0, 4.00139999389648, 0.0, 2.0, 2.0, 12.0
-InChI%3D1S%2FC8H5F3O%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-5H, 1.89999997615814, 0.820292472839355, 0.0, 12.7285003662109, 3.7720000743866, 8.0, 6.0, 12.0, 17.0, , 3.0, 0.905700027942657, 0.0, 2.0, 0.0, 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%3F%3B%2Fm00.%2Fs1, 4.65000009536743, 4.95507621765137, 0.0, 148.869995117188, 1.69799995422363, 9.0, 12.0, 66.0, 101.0, , 5.0, -2.2260000705719, 1.0, 0.0, 2.0, 12.0
-InChI%3D1S%2FC12H8F2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H, 2.45000004768372, 0.648508071899414, 0.0, 3.36409997940063, 4.60200023651123, 13.0, 12.0, 16.0, 23.0, , 0.0, 0.805299997329712, 0.0, 2.0, 0.0, 12.0
-InChI%3D1S%2FC9H11NO2.CH4O3S%2Fc1-2-12-9%2811%297-4-3-5-8%2810%296-7%3B1-5%282%2C3%294%2Fh3-6H%2C2%2C10H2%2C1H3%3B1H3%2C%28H%2C2%2C3%2C4%29, 1.78999996185303, 0.860256254673004, 2.0, 37.1203994750977, , 10.0, 6.0, 16.0, 32.0, , 5.0, -0.927500009536743, , 3.0, 2.0, 6.0
-InChI%3D1S%2FC12H10%2Fc1-3-9-4-2-6-11-8-7-10%285-1%2912%289%2911%2Fh1-6H%2C7-8H2, 2.77999997138977, 0.0155750401318073, 0.0, 9.73079967498779, 6.24399995803833, 10.0, 10.0, 14.0, 22.0, , 0.0, 0.124799996614456, 1.0, 0.0, 0.0, 11.0
-InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H, 2.23000001907349, 0.0237468108534813, 0.0, 1.61909997463226, 2.64599990844727, 7.0, 6.0, 10.0, 15.0, , 0.0, -0.154100000858307, 0.0, 0.0, 0.0, 10.0
-InChI%3D1S%2FC8H19N%2Fc1-2-3-4-5-6-7-8-9%2Fh2-9H2%2C1H3, 2.23000001907349, 5.83222484588623, 8.0, 32.3026008605957, 3.05999994277954, 0.0, 0.0, 8.0, 28.0, , 9.0, -2.41499996185303, 0.0, 6.0, 1.0, 0.0
-InChI%3D1S%2FC2H6OS%2Fc1-4%282%293%2Fh1-2H3, 1.46000003814697, 0.100235559046268, 0.0, 20.5585994720459, -0.717999994754791, 1.0, 0.0, 3.0, 10.0, , 4.0, -0.316599994897842, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H5NO4%2Fc9-4-5-3-6%2810%291-2-7%285%298%2811%2912%2Fh1-4%2C10H, 1.67999994754791, 0.489020496606827, 0.0, 11.7442998886108, 1.37100005149841, 12.0, 6.0, 12.0, 17.0, , 2.0, -0.699299991130829, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2, 2.00999999046326, 0.562350034713745, 0.0, 4.22209978103638, 1.97699999809265, 7.0, 6.0, 7.0, 14.0, , 0.0, -0.749899983406067, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC7H10%2Fc1-2-7-4-3-6%281%295-7%2Fh1-2%2C6-7H%2C3-5H2, 2.23000001907349, 0.184212639927864, 0.0, 29.6931991577148, 2.99699997901917, 2.0, 0.0, 8.0, 17.0, , 0.0, 0.429199993610382, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H12N2.ClH%2Fc1-2-4-9%285-3-1%298-10-11-6-7-12-10%3B%2Fh1-5H%2C6-8H2%2C%28H%2C11%2C12%29%3B1H, 2.23000001907349, 0.413191825151443, 0.0, 22.4853992462158, 3.64199995994568, 6.0, 6.0, 13.0, 26.0, , 0.0, -0.642799973487854, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC9H13BrN2O2%2Fc1-4-5%282%2912-8%2813%297%2810%296%283%2911-9%2812%2914%2Fh5H%2C4H2%2C1-3H3%2C%28H%2C11%2C14%29, 1.89999997615814, 0.0901800915598869, 4.0, 56.019401550293, 1.00399994850159, 3.0, 0.0, 14.0, 31.0, , 4.0, -0.300300002098083, 0.0, 2.0, 2.0, 0.0
-InChI%3D1S%2FC9H12O%2Fc1-6-4-5-7%282%299%2810%298%286%293%2Fh4-5%2C10H%2C1-3H3, 2.33999991416931, 2.14827656745911, 0.0, 19.0708999633789, 2.59100008010864, 7.0, 6.0, 10.0, 22.0, , 0.0, 1.46570003032684, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC7H9N%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5H%2C8H2%2C1H3, 2.11999988555908, 0.0116424104198813, 0.0, 9.72420024871826, 2.29999995231628, 7.0, 6.0, 8.0, 17.0, , 0.0, -0.107900001108646, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC6H4N2O5%2Fc9-6-3-4%287%2810%2911%291-2-5%286%298%2812%2913%2Fh1-3%2C9H, 1.35000002384186, 0.306362241506577, 0.0, 8.33619976043701, 2.46499991416931, 13.0, 6.0, 13.0, 17.0, , 3.0, -0.55349999666214, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC11H16O%2Fc1-4-11%282%2C3%299-5-7-10%2812%298-6-9%2Fh5-8%2C12H%2C4H2%2C1-3H3, 2.55999994277954, 0.578816652297974, 4.0, 26.5398006439209, 4.61899995803833, 7.0, 6.0, 12.0, 28.0, , 5.0, 0.760800004005432, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H, 1.24000000953674, 5.75616073608398, 2.0, 30.7637996673584, 2.57599997520447, 0.0, 0.0, 5.0, 8.0, , 6.0, 2.39919996261597, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3, 1.57000005245209, 0.0115777598693967, 2.0, 12.555100440979, -0.0759999975562096, 0.0, 0.0, 2.0, 9.0, , 3.0, -0.107600003480911, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC6H4Cl3N%2Fc7-3-1-2-4%2810%296%289%295%283%298%2Fh1-2H%2C10H2, 1.67999994754791, 2.19928908348083, 0.0, 21.0688991546631, 2.05399990081787, 7.0, 6.0, 10.0, 14.0, , 0.0, 1.48300004005432, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC11H8O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6H%2C1H3, 2.45000004768372, 0.0783440098166466, 0.0, 25.2175006866455, 2.14100003242493, 12.0, 6.0, 14.0, 21.0, , 0.0, 0.279900014400482, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC6H4N2O4%2Fc9-7%2810%295-1-2-6%284-3-5%298%2811%2912%2Fh1-4H, 1.46000003814697, 0.00868623983114958, 0.0, 5.77159976959229, 2.5699999332428, 12.0, 6.0, 12.0, 16.0, , 3.0, -0.0931999981403351, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC9H15NO6%2Fc1-4-14-7%2811%2910%288%2812%2915-5-2%299%2813%2916-6-3%2Fh4-6H2%2C1-3H3, 1.67999994754791, 3.3441436290741, 2.0, 51.3498992919922, 1.37399995326996, 10.0, 0.0, 15.0, 31.0, , 16.0, 1.8286999464035, 0.0, 9.0, 0.0, 0.0
-InChI%3D1S%2FC10H15BrO%2Fc1-9%282%296-4-5-10%289%2C3%298%2812%297%286%2911%2Fh6-7H%2C4-5H2%2C1-3H3, 2.33999991416931, 2.77622246742249, 0.0, 51.1352005004883, 2.53099989891052, 1.0, 0.0, 13.0, 27.0, , 0.0, 1.66620004177094, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H10Cl2O2%2Fc14-10-1-3-12%2816%298%286-10%295-9-7-11%2815%292-4-13%289%2917%2Fh1-4%2C6-7%2C16-17H%2C5H2, 2.45000004768372, 1.0489856004715, 0.0, 20.9613990783691, 3.3840000629425, 7.0, 12.0, 18.0, 27.0, , 0.0, 1.02419996261597, 0.0, 2.0, 2.0, 12.0
-InChI%3D1S%2FC9H20O%2Fc1-2-3-4-5-6-7-8-9-10%2Fh10H%2C2-9H2%2C1H3, 2.33999991416931, 5.82449960708618, 9.0, 33.5567016601562, 3.69600009918213, 0.0, 0.0, 9.0, 30.0, , 10.0, -2.41339993476868, 0.0, 7.0, 1.0, 0.0
-InChI%3D1S%2FC7H12O2%2Fc1-4-7%288%299-5-6%282%293%2Fh4%2C6H%2C1%2C5H2%2C2-3H3, 2.00999999046326, 1.1972736120224, 3.0, 35.3437995910645, 1.61099994182587, 5.0, 0.0, 8.0, 21.0, , 9.0, 1.09420001506805, 0.0, 4.0, 0.0, 0.0
-InChI%3D1S%2FC10H16O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7H%2C4-6H2%2C1-3H3, 2.45000004768372, 0.939542472362518, 0.0, 43.7625007629395, 2.12700009346008, 2.0, 0.0, 12.0, 27.0, , 0.0, 0.969299972057343, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H5NO3%2Fc9-5-6-1-3-7%284-2-6%298%2810%2911%2Fh1-5H, 1.78999996185303, 0.0571210011839867, 0.0, 9.17969989776611, 2.33400011062622, 11.0, 6.0, 11.0, 16.0, , 2.0, -0.238999992609024, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC7H6BrNO%2Fc8-6-3-1-2-5%284-6%297%289%2910%2Fh1-4H%2C%28H2%2C9%2C10%29, 1.89999997615814, 0.651571810245514, 0.0, 17.0755004882812, 2.87299990653992, 9.0, 6.0, 10.0, 16.0, , 2.0, 0.807200014591217, 0.0, 1.0, 2.0, 6.0
-InChI%3D1S%2FC3H10N2%2Fc1-3%285%292-4%2Fh3H%2C2%2C4-5H2%2C1H3, 1.57000005245209, 2.21206140518188, 3.0, 22.4529991149902, -0.882000029087067, 0.0, 0.0, 4.0, 15.0, , 5.0, -1.48730003833771, 0.0, 1.0, 2.0, 0.0
-InChI%3D1S%2FC12H8BrNO%2Fc13-11-5-3-9%284-6-11%2912%2815%2910-2-1-7-14-8-10%2Fh1-8H, 2.45000004768372, 0.390625, 0.0, 13.9450998306274, 3.44899988174438, 14.0, 12.0, 16.0, 23.0, , 1.0, 0.625, 0.0, 2.0, 0.0, 12.0
-InChI%3D1S%2FC6H5ClO%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C8H, 1.89999997615814, 0.080655999481678, 0.0, 8.18019962310791, 1.92900002002716, 7.0, 6.0, 8.0, 13.0, , 0.0, 0.284000009298325, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC16H22O4%2Fc1-3-5-11-19-15%2817%2913-9-7-8-10-14%2813%2916%2818%2920-12-6-4-2%2Fh7-10H%2C3-6%2C11-12H2%2C1-2H3, 2.77999997138977, 1.46023058891296, 4.0, 45.4515991210938, 5.03399991989136, 12.0, 6.0, 20.0, 42.0, , 7.0, -1.20840001106262, 1.0, 10.0, 0.0, 6.0
-InChI%3D1S%2FC10H15N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh5-9H%2C3-4H2%2C1-2H3, 2.45000004768372, 0.516385972499847, 2.0, 22.878999710083, 3.45199990272522, 7.0, 6.0, 11.0, 26.0, , 5.0, 0.7185999751091, 0.0, 3.0, 0.0, 6.0
-InChI%3D1S%2FC12H20O4%2Fc1-3-5-9-15-11%2813%297-8-12%2814%2916-10-6-4-2%2Fh7-8H%2C3-6%2C9-10H2%2C1-2H3, 2.33999991416931, 0.910116016864777, 4.0, 55.6199989318848, 2.92600011825562, 8.0, 0.0, 15.0, 36.0, , 16.0, -0.953999996185303, 0.0, 10.0, 0.0, 0.0
-InChI%3D1S%2FC5H4ClNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H, 1.67999994754791, 0.00538755999878049, 0.0, 8.66679954528809, 0.917999982833862, 7.0, 6.0, 8.0, 12.0, , 0.0, 0.0733999982476234, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC13H29N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14%2Fh2-14H2%2C1H3, 2.77999997138977, 14.8610248565674, 13.0, 46.8605995178223, 5.90500020980835, 0.0, 0.0, 13.0, 43.0, , 14.0, -3.85500001907349, 2.0, 11.0, 1.0, 0.0
-InChI%3D1S%2FC8H10N2O3%2Fc1-2-13-6-3-4-7%289%298%285-6%2910%2811%2912%2Fh3-5H%2C2%2C9H2%2C1H3, 1.78999996185303, 0.357484400272369, 2.0, 18.7175006866455, 2.49000000953674, 11.0, 6.0, 13.0, 23.0, , 3.0, -0.597899973392487, 0.0, 3.0, 1.0, 6.0
-InChI%3D1S%2FC3H8O%2Fc1-3%282%294%2Fh3-4H%2C1-2H3, 1.67999994754791, 0.166545614600182, 3.0, 17.7598991394043, 0.38400000333786, 0.0, 0.0, 3.0, 12.0, , 4.0, -0.408100008964539, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC12H27N%2Fc1-3-5-7-9-11-13-12-10-8-6-4-2%2Fh13H%2C3-12H2%2C1-2H3, 2.67000007629395, 6.75272178649902, 6.0, 47.8146018981934, 4.80000019073486, 0.0, 0.0, 12.0, 40.0, , 13.0, -2.59859991073608, 0.0, 10.0, 1.0, 0.0
-InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-4H, 1.89999997615814, 1.28323578834534, 0.0, 12.6331996917725, 3.46900010108948, 8.0, 6.0, 12.0, 16.0, , 3.0, 1.1327999830246, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC3H6O2%2Fc1-3%284%295-2%2Fh1-2H3, 1.57000005245209, 0.000445209996541962, 0.0, 17.4127998352051, 0.24099999666214, 3.0, 0.0, 4.0, 11.0, , 5.0, 0.0210999995470047, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC6H10%2Fc1-5%282%296%283%294%2Fh1%2C3H2%2C2%2C4H3, 2.11999988555908, 5.32594060897827, 4.0, 28.8584003448486, 2.74000000953674, 4.0, 0.0, 5.0, 16.0, , 6.0, 2.30780005455017, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC7H3I2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H, 1.78999996185303, 5.83029317855835, 0.0, 36.6556015014648, 2.44899988174438, 9.0, 6.0, 11.0, 14.0, , 2.0, 2.41459989547729, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3, 1.57000005245209, 2.25330114364624, 3.0, 25.2399997711182, 2.03699994087219, 0.0, 0.0, 4.0, 11.0, , 5.0, 1.50109994411469, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H, 2.11999988555908, 0.0, 0.0, 0.0, 4.06199979782104, 6.0, 6.0, 6.0, 12.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC8H14O%2Fc1-3-5-6-7-8%289%294-2%2Fh2%2C8-9H%2C3%2C5-7H2%2C1H3, 2.23000001907349, 0.716562271118164, 8.0, 31.2717990875244, 2.35999989509583, 2.0, 0.0, 8.0, 23.0, , 9.0, -0.846499979496002, 0.0, 4.0, 1.0, 0.0
-InChI%3D1S%2FC7H14O%2Fc1-4-6%282%297%283%295-8%2Fh5-7H%2C4H2%2C1-3H3, 2.11999988555908, 8.10000017281709e-07, 5.0, 32.9935989379883, 2.52600002288818, 1.0, 0.0, 7.0, 22.0, , 8.0, -0.000899999984540045, 0.0, 3.0, 0.0, 0.0
-InChI%3D1S%2FC9H10O4%2Fc1-12-6-3-8%2811%297%285-10%299%284-6%2913-2%2Fh3-5%2C11H%2C1-2H3, 2.00999999046326, 0.571989715099335, 0.0, 23.4901008605957, 1.02499997615814, 11.0, 6.0, 13.0, 23.0, , 2.0, -0.75629997253418, 0.0, 3.0, 1.0, 6.0
-InChI%3D1S%2FC7H7ClO%2Fc1-5-4-6%289%292-3-7%285%298%2Fh2-4%2C9H%2C1H3, 2.00999999046326, 0.857475996017456, 0.0, 13.6822996139526, 2.04099988937378, 7.0, 6.0, 9.0, 16.0, , 0.0, 0.925999999046326, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC2HCl5%2Fc3-1%284%292%285%2C6%297%2Fh1H, 1.12999999523163, 8.33938884735107, 2.0, 36.3208999633789, 3.22900009155273, 0.0, 0.0, 6.0, 8.0, , 7.0, 2.88779997825623, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC6H12N2%2Fc1-2-8-5-3-7%281%294-6-8%2Fh1-6H2, 1.89999997615814, 0.0092160003259778, 0.0, 34.0691986083984, -0.504000008106232, 0.0, 0.0, 9.0, 20.0, , 0.0, 0.096000000834465, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H10O3%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8%2C13-14H, 2.45000004768372, 1.15498006343842, 0.0, 6.74830007553101, 2.75799989700317, 15.0, 12.0, 16.0, 25.0, , 0.0, -1.07469999790192, 0.0, 2.0, 2.0, 12.0
-InChI%3D1S%2FC6H14N2O%2Fc9-6-5-8-3-1-7-2-4-8%2Fh7%2C9H%2C1-6H2, 1.78999996185303, 0.636644423007965, 2.0, 37.0358009338379, -1.24199998378754, 0.0, 0.0, 9.0, 23.0, , 3.0, -0.797900021076202, 0.0, 2.0, 2.0, 0.0
-InChI%3D1S%2FC11H16%2Fc1-2-3-5-8-11-9-6-4-7-10-11%2Fh4%2C6-7%2C9-10H%2C2-3%2C5%2C8H2%2C1H3, 2.67000007629395, 0.562950074672699, 5.0, 19.4988994598389, 6.66099977493286, 6.0, 6.0, 11.0, 27.0, , 5.0, -0.750299990177155, 1.0, 4.0, 0.0, 6.0
-InChI%3D1S%2FC7H7NO2%2Fc8-7%2810%295-3-1-2-4-6%285%299%2Fh1-4%2C9H%2C%28H2%2C8%2C10%29, 1.89999997615814, 0.293655604124069, 0.0, 11.0410003662109, 2.1159999370575, 10.0, 6.0, 10.0, 17.0, , 3.0, -0.541899979114532, 0.0, 1.0, 3.0, 6.0
-InChI%3D1S%2FC5H10O%2Fc1-4%282%295%283%296%2Fh4H%2C1-3H3, 1.89999997615814, 0.23078416287899, 4.0, 25.8570003509521, 0.731000006198883, 1.0, 0.0, 5.0, 16.0, , 6.0, 0.480399996042252, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC14H14OS%2Fc15-16%2811-13-7-3-1-4-8-13%2912-14-9-5-2-6-10-14%2Fh1-10H%2C11-12H2, 2.77999997138977, 0.248004004359245, 0.0, 18.589599609375, 4.96799993515015, 6.0, 12.0, 17.0, 30.0, , 4.0, -0.497999995946884, 0.0, 4.0, 0.0, 12.0
-InChI%3D1S%2FC8H19N%2Fc1-3-4-5-6-7-8%282%299%2Fh8H%2C3-7%2C9H2%2C1-2H3, 2.23000001907349, 4.56976127624512, 8.0, 33.975399017334, 2.95099997520447, 0.0, 0.0, 8.0, 28.0, , 9.0, -2.13770008087158, 0.0, 5.0, 1.0, 0.0
-InChI%3D1S%2FC6H11BrO%2Fc7-5-6-3-1-2-4-8-6%2Fh6H%2C1-5H2, 1.89999997615814, 0.0244922507554293, 0.0, 31.7752990722656, 2.0239999294281, 0.0, 0.0, 8.0, 19.0, , 2.0, -0.156499996781349, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC2H3F3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2, 1.24000000953674, 0.42172035574913, 2.0, 13.7114000320435, 0.925999999046326, 0.0, 0.0, 5.0, 9.0, , 6.0, 0.649399995803833, 0.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC11H16O%2Fc1-11%282%2C12%299-8-10-6-4-3-5-7-10%2Fh3-7%2C12H%2C8-9H2%2C1-2H3, 2.55999994277954, 0.204123243689537, 4.0, 25.6497993469238, 4.63500022888184, 6.0, 6.0, 12.0, 28.0, , 6.0, 0.451799988746643, 0.0, 3.0, 1.0, 6.0
-InChI%3D1S%2FC6H5ClO2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3%2C8-9H, 1.78999996185303, 0.0310816895216703, 0.0, 10.7447996139526, 1.39499998092651, 8.0, 6.0, 9.0, 14.0, , 0.0, -0.176300004124641, 0.0, 0.0, 2.0, 6.0
-InChI%3D1S%2FC6H10%2Fc1-3-5-6-4-2%2Fh3-6H%2C1-2H3, 2.11999988555908, 3.29277324676514, 6.0, 32.1021995544434, 3.00399994850159, 4.0, 0.0, 5.0, 16.0, , 6.0, 1.81459999084473, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC3H6O%2Fc1-2-3-4%2Fh2%2C4H%2C1%2C3H2, 1.67999994754791, 0.0669774413108826, 3.0, 17.423999786377, 0.11599999666214, 2.0, 0.0, 3.0, 10.0, , 4.0, 0.258799999952316, 0.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC12H11NO3S%2Fc14-17%2815%2C16%2912-7-4-8-13%2810-12%299-11-5-2-1-3-6-11%2Fh1-8%2C10H%2C9H2, 2.23000001907349, , 0.0, , 0.211999997496605, 6.0, 6.0, 18.0, 17.0, , 4.0, , 0.0, 3.0, 0.0, 12.0
-InChI%3D1S%2FC8H19NO%2Fc1-7%282%299%285-6-10%298%283%294%2Fh7-8%2C10H%2C5-6H2%2C1-4H3, 2.11999988555908, 0.102080248296261, 2.0, 45.2775993347168, 1.12000000476837, 0.0, 0.0, 9.0, 29.0, , 10.0, -0.319499999284744, 0.0, 4.0, 1.0, 0.0
-InChI%3D1S%2FC10H14O%2Fc1-2-3-9-11-10-7-5-4-6-8-10%2Fh4-8H%2C2-3%2C9H2%2C1H3, 2.45000004768372, 0.445155829191208, 4.0, 18.0531997680664, 3.91300010681152, 7.0, 6.0, 11.0, 25.0, , 5.0, -0.667200028896332, 0.0, 4.0, 0.0, 6.0
-InChI%3D1S%2FC8H7BrO3%2Fc1-12-7-3-5%284-10%292-6%289%298%287%2911%2Fh2-4%2C11H%2C1H3, 1.89999997615814, 0.033966489136219, 0.0, 24.7733993530273, 1.47399997711182, 10.0, 6.0, 12.0, 19.0, , 2.0, 0.184300005435944, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC11H15NO2%2Fc1-3-12%284-2%2910-6-5-9%288-13%2911%2814%297-10%2Fh5-8%2C14H%2C3-4H2%2C1-2H3, 2.33999991416931, 0.00434280978515744, 2.0, 31.7374992370605, 2.35800004005432, 10.0, 6.0, 14.0, 29.0, , 5.0, 0.0658999979496002, 0.0, 4.0, 1.0, 6.0
-InChI%3D1S%2FC9H11NO%2Fc1-2-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3, 2.23000001907349, 0.860441744327545, 3.0, 20.0160007476807, 1.52100002765656, 9.0, 6.0, 11.0, 22.0, , 4.0, -0.927600026130676, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC8H11NO%2Fc10-6-2-4-8-3-1-5-9-7-8%2Fh1%2C3%2C5%2C7%2C10H%2C2%2C4%2C6H2, 2.11999988555908, 0.454680502414703, 3.0, 15.0537996292114, 1.09599995613098, 6.0, 6.0, 10.0, 21.0, , 4.0, -0.674300014972687, 0.0, 3.0, 1.0, 6.0
-InChI%3D1S%2FC14H18O4%2Fc1-3-17-13%2815%2912%2814%2816%2918-4-2%2910-11-8-6-5-7-9-11%2Fh5-9%2C12H%2C3-4%2C10H2%2C1-2H3, 2.55999994277954, 0.489580094814301, 3.0, 40.940601348877, 4.87900018692017, 6.0, 6.0, 18.0, 36.0, , 12.0, 0.699699997901917, 0.0, 8.0, 0.0, 6.0
-InChI%3D1S%2FC8H16O2%2Fc1-3-5-6-7-8%289%2910-4-2%2Fh3-7H2%2C1-2H3, 2.11999988555908, 0.266565680503845, 6.0, 35.464900970459, 2.62400007247925, 3.0, 0.0, 9.0, 26.0, , 10.0, -0.516300022602081, 0.0, 6.0, 0.0, 0.0
-InChI%3D1S%2FC8H10O2%2Fc1-9-7-3-5-8%2810-2%296-4-7%2Fh3-6H%2C1-2H3, 2.11999988555908, 0.0107329599559307, 0.0, 14.6316003799438, 1.90799999237061, 8.0, 6.0, 10.0, 20.0, , 2.0, -0.10360000282526, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh1%2C4H%2C3H2, 1.67999994754791, 0.0999824404716492, 3.0, 15.0410003662109, -0.231000006198883, 2.0, 0.0, 3.0, 8.0, , 4.0, 0.316199988126755, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC11H15NO%2Fc1-3-12%284-2%2911-7-5-10%289-13%296-8-11%2Fh5-9H%2C3-4H2%2C1-2H3, 2.45000004768372, 0.276886433362961, 0.0, 29.1728992462158, 2.89199995994568, 9.0, 6.0, 13.0, 28.0, , 5.0, 0.526199996471405, 0.0, 4.0, 0.0, 6.0
-InChI%3D1S%2FC20H30O2%2Fc1-13%282%2914-6-8-16-15%2812-14%297-9-17-19%2816%2C3%2910-5-11-20%2817%2C4%2918%2821%2922%2Fh12%2C16-17H%2C5-11H2%2C1-4H3%2C%28H%2C21%2C22%29%2Ft16-%2C17%2B%2C19%2B%2C20%2B%2Fm0%2Fs1, 3.44000005722046, 4.61562252044678, 3.0, 90.2817993164062, 5.77600002288818, 4.0, 0.0, 24.0, 52.0, , 3.0, 2.14840006828308, 1.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC14H11N%2Fc1-2-15-13-9-5-3-7-11%2813%2912-8-4-6-10-14%2812%2915%2Fh2-10H%2C1H2, 2.89000010490417, 0.0398800894618034, 2.0, 12.2868995666504, 5.49200010299683, 15.0, 12.0, 17.0, 26.0, , 2.0, 0.199699997901917, 1.0, 1.0, 0.0, 15.0
-InChI%3D1S%2FC9H9Cl%2Fc1-2-8-4-3-5-9%286-8%297-10%2Fh2-6H%2C1%2C7H2, 2.33999991416931, 2.14153957366943, 0.0, 20.4750003814697, 4.77500009536743, 8.0, 6.0, 10.0, 19.0, , 2.0, 1.46340000629425, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2, 1.35000002384186, 1.15111446380615, 0.0, 16.4382991790771, 1.51900005340576, 0.0, 0.0, 2.0, 5.0, , 3.0, 1.07290005683899, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H9N%2Fc1-2-4-10%285-3-1%2911-6-8-12-9-7-11%2Fh1-9H, 2.55999994277954, 0.0, 0.0, 0.0, 4.63000011444092, 12.0, 12.0, 13.0, 21.0, , 0.0, 0.0, 0.0, 1.0, 0.0, 12.0
-InChI%3D1S%2FC12H17NO2%2Fc1-12%282%2C3%299-5-7-10%288-6-9%2915-11%2814%2913-4%2Fh5-8H%2C1-4H3%2C%28H%2C13%2C14%29, 2.45000004768372, 3.20911407470703, 0.0, 34.3709983825684, 5.01399993896484, 10.0, 6.0, 15.0, 32.0, , 5.0, 1.79139995574951, 1.0, 3.0, 1.0, 6.0
-InChI%3D1S%2FC10H10N2O2S%2Fc1-9-2-4-10%285-3-9%2915%2813%2C14%2912-7-6-11-8-12%2Fh2-8H%2C1H3, 2.00999999046326, 0.0867302492260933, 0.0, 16.6436996459961, 2.10999989509583, 10.0, 6.0, 16.0, 25.0, , 2.0, -0.29449999332428, 0.0, 2.0, 1.0, 11.0
-InChI%3D1S%2FC8H6ClNO4%2Fc1-14-8%2811%296-3-2-5%289%294-7%286%2910%2812%2913%2Fh2-4H%2C1H3, 1.67999994754791, 0.502539217472076, 0.0, 20.4897994995117, 2.33699989318848, 12.0, 6.0, 14.0, 20.0, , 4.0, 0.708899974822998, 0.0, 3.0, 0.0, 6.0
-InChI%3D1S%2FC7H5ClN2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-3H%2C10H2, 1.89999997615814, 0.000846809998620301, 0.0, 16.0363006591797, 1.21000003814697, 9.0, 6.0, 10.0, 15.0, , 2.0, 0.0291000008583069, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2, 1.46000003814697, 2.28553915023804, 2.0, 20.6555995941162, 1.74000000953674, 0.0, 0.0, 3.0, 8.0, , 4.0, 1.51180005073547, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC7H4ClFO%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-4H, 1.89999997615814, 1.06419861316681, 0.0, 12.7819995880127, 2.50200009346008, 8.0, 6.0, 10.0, 14.0, , 2.0, 1.03159999847412, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC10H18O4%2Fc1-3-13-9%2811%297-5-6-8-10%2812%2914-4-2%2Fh3-8H2%2C1-2H3, 2.11999988555908, 0.000282240012893453, 6.0, 47.4860000610352, 1.49399995803833, 3.0, 0.0, 13.0, 32.0, , 14.0, 0.0167999994009733, 0.0, 9.0, 0.0, 0.0
-InChI%3D1S%2FC9H7NO2%2Fc1-12-9%2811%298-4-2-7%286-10%293-5-8%2Fh2-5H%2C1H3, 2.11999988555908, 0.0021068099886179, 0.0, 18.1870002746582, 1.70200002193451, 11.0, 6.0, 12.0, 19.0, , 4.0, 0.0458999983966351, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC6H15N3%2Fc7-1-4-9-5-2-8-3-6-9%2Fh8H%2C1-7H2, 1.78999996185303, 1.18265628814697, 2.0, 38.6932983398438, -1.30900001525879, 0.0, 0.0, 9.0, 24.0, , 3.0, -1.08749997615814, 0.0, 2.0, 2.0, 0.0
-InChI%3D1S%2FC13H11NO3%2Fc14-9-6-7-11%2812%2815%298-9%2913%2816%2917-10-4-2-1-3-5-10%2Fh1-8%2C15H%2C14H2, 2.45000004768372, 1.69338166713715, 0.0, 13.0783996582031, 3.33299994468689, 17.0, 12.0, 18.0, 28.0, , 3.0, -1.30130004882812, 0.0, 3.0, 2.0, 12.0
-InChI%3D1S%2FC14H20ClNO2%2Fc1-4-11-7-6-8-12%285-2%2914%2811%2916%2810-18-3%2913%2817%299-15%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3, 2.55999994277954, 0.225815042853355, 2.0, 49.869800567627, 3.94099998474121, 9.0, 6.0, 18.0, 38.0, , 8.0, 0.475199997425079, 0.0, 7.0, 0.0, 6.0
-InChI%3D1S%2FC3H7Br%2Fc1-2-3-4%2Fh2-3H2%2C1H3, 1.67999994754791, 0.440497696399689, 3.0, 22.1215991973877, 2.09400010108948, 0.0, 0.0, 3.0, 11.0, , 4.0, 0.663699984550476, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC6H15NO%2Fc1-3-7%284-2%295-6-8%2Fh8H%2C3-6H2%2C1-2H3, 1.89999997615814, 0.0792422518134117, 2.0, 34.8680000305176, 0.200000002980232, 0.0, 0.0, 7.0, 23.0, , 8.0, 0.28150001168251, 0.0, 4.0, 1.0, 0.0
-InChI%3D1S%2FC4H8O%2Fc1-3-4%282%295%2Fh3H2%2C1-2H3, 1.78999996185303, 0.0281568393111229, 4.0, 21.2182998657227, 0.437999993562698, 1.0, 0.0, 4.0, 13.0, , 5.0, -0.16779999434948, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3, 1.67999994754791, 0.0158508103340864, 4.0, 24.7532005310059, 0.680999994277954, 3.0, 0.0, 5.0, 15.0, , 6.0, -0.125900000333786, 0.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC13H10O%2Fc14-13%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H, 2.77999997138977, 0.0695904418826103, 0.0, 5.34600019454956, 5.67700004577637, 14.0, 12.0, 15.0, 24.0, , 2.0, -0.263799995183945, 1.0, 2.0, 0.0, 12.0
-InChI%3D1S%2FC11H17O3P%2Fc1-3-13-15%2812%2C14-4-2%2910-11-8-6-5-7-9-11%2Fh5-9H%2C3-4%2C10H2%2C1-2H3, 2.23000001907349, 0.0816816389560699, 2.0, 33.869499206543, 3.47499990463257, 6.0, 6.0, 15.0, 32.0, , 9.0, 0.285800009965897, 0.0, 6.0, 0.0, 6.0
-InChI%3D1S%2FC9H12O%2Fc1-2-3-8-4-6-9%2810%297-5-8%2Fh4-7%2C10H%2C2-3H2%2C1H3, 2.33999991416931, 0.402717173099518, 3.0, 16.2402992248535, 3.50500011444092, 7.0, 6.0, 10.0, 22.0, , 3.0, -0.634599983692169, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC7H5ClO%2Fc8-7-3-1-6%285-9%292-4-7%2Fh1-5H, 2.00999999046326, 0.304593622684479, 0.0, 11.9095001220703, 2.54299998283386, 8.0, 6.0, 9.0, 14.0, , 2.0, 0.551900029182434, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3, 1.89999997615814, 0.963931262493134, 0.0, 26.8162994384766, 1.32000005245209, 0.0, 0.0, 5.0, 18.0, , 6.0, 0.981800019741058, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC6H7ClN.HI%2Fc1-8-5-3-2-4-6%288%297%3B%2Fh2-5H%2C1H3%3B1H%2Fq%2B1%3B%2Fp-1, 1.78999996185303, , 0.0, , 2.8989999294281, 0.0, 0.0, 8.0, 17.0, , 0.0, , 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC7H5NO3%2Fc9-5-6-3-1-2-4-7%286%298%2810%2911%2Fh1-5H, 1.78999996185303, 0.0571210011839867, 0.0, 9.17969989776611, 2.54500007629395, 11.0, 6.0, 11.0, 16.0, , 2.0, -0.238999992609024, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2, 1.78999996185303, 0.499707609415054, 0.0, 16.86669921875, 0.526000022888184, 0.0, 0.0, 5.0, 13.0, , 0.0, -0.706900000572205, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H18O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-7%2C10H2%2C1H3, 2.45000004768372, 1.40327715873718, 10.0, 41.1623001098633, 3.67700004577637, 2.0, 0.0, 10.0, 29.0, , 11.0, -1.1845999956131, 0.0, 5.0, 1.0, 0.0
-InChI%3D1S%2FC3H6O%2Fc1-3%282%294%2Fh1-2H3, 1.67999994754791, 0.0595359988510609, 3.0, 16.1947994232178, 0.185000002384186, 1.0, 0.0, 3.0, 10.0, , 4.0, -0.244000002741814, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H4ClNO3%2Fc8-7-2-1-6%289%2811%2912%293-5%287%294-10%2Fh1-4H, 1.67999994754791, 0.255328088998795, 0.0, 14.7952995300293, 2.4300000667572, 11.0, 6.0, 12.0, 16.0, , 2.0, 0.505299985408783, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC10H17N%2Fc11-10-4-7-1-8%285-10%293-9%282-7%296-10%2Fh7-9H%2C1-6%2C11H2, 2.45000004768372, 2.4922935962677, 0.0, 44.1259002685547, 2.31200003623962, 0.0, 0.0, 13.0, 28.0, , 0.0, -1.5786999464035, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC4H11N%2Fc1-2-3-4-5%2Fh2-5H2%2C1H3, 1.78999996185303, 1.59516894817352, 4.0, 20.6562004089355, 0.783999979496002, 0.0, 0.0, 4.0, 16.0, , 5.0, -1.26300001144409, 0.0, 2.0, 1.0, 0.0
-InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2, 1.89999997615814, 3.13599994115066e-05, 0.0, 9.83769989013672, 1.86199998855591, 7.0, 6.0, 8.0, 14.0, , 0.0, -0.00559999980032444, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC8H18S2%2Fc1-3-5-9-7-8-10-6-4-2%2Fh3-8H2%2C1-2H3, 2.11999988555908, 0.568817615509033, 3.0, 52.0564002990723, 3.71399998664856, 0.0, 0.0, 9.0, 28.0, , 10.0, 0.754199981689453, 0.0, 7.0, 0.0, 0.0
-InChI%3D1S%2FC7H9N%2Fc1-2-7-5-3-4-6-8-7%2Fh3-6H%2C2H2%2C1H3, 2.11999988555908, 0.056026890873909, 2.0, 8.81029987335205, 2.25500011444092, 6.0, 6.0, 8.0, 17.0, , 2.0, -0.236699998378754, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC7H6N2O3%2Fc8-7%2810%295-1-3-6%284-2-5%299%2811%2912%2Fh1-4H%2C%28H2%2C8%2C10%29, 1.67999994754791, 0.464305967092514, 0.0, 10.3273000717163, 1.19200003147125, 12.0, 6.0, 12.0, 18.0, , 3.0, -0.681400001049042, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC12H16O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-3%2C6-7%2C11-13H%2C4-5%2C8-9H2%2Ft11%3F%2C12-%2Fm1%2Fs1, 2.67000007629395, 2.03119492530823, 0.0, 21.9519004821777, 4.53299999237061, 6.0, 6.0, 14.0, 29.0, , 0.0, -1.42519998550415, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC4H3BrS%2Fc5-4-1-2-6-3-4%2Fh1-3H, 1.67999994754791, 2.18862438201904, 0.0, 16.392599105835, 2.55299997329712, 5.0, 5.0, 6.0, 9.0, , 0.0, 1.47940003871918, 0.0, 0.0, 0.0, 5.0
-InChI%3D1S%2FC17H13N%2Fc1-3-8-14%289-4-1%2916-12-7-13-17%2818-16%2915-10-5-2-6-11-15%2Fh1-13H, 3.22000002861023, 0.0, 0.0, 0.0, 7.36399984359741, 18.0, 18.0, 20.0, 31.0, , 0.0, 0.0, 1.0, 2.0, 0.0, 18.0
-InChI%3D1S%2FC10H20O%2Fc1-3-4-5-6-7-8-9-10%282%2911%2Fh3-9H2%2C1-2H3, 2.45000004768372, 3.59405755996704, 10.0, 38.6879005432129, 3.85199999809265, 1.0, 0.0, 10.0, 31.0, , 11.0, -1.89579999446869, 0.0, 7.0, 0.0, 0.0
-InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3, 1.57000005245209, 0.033306248486042, 2.0, 11.7182998657227, 0.333999991416931, 1.0, 0.0, 2.0, 7.0, , 3.0, -0.182500004768372, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%288%296%2811%295%2810%294%282%299%2Fh1%2C11H, 1.57000005245209, 6.33478546142578, 0.0, 25.0270004272461, 2.21700000762939, 7.0, 6.0, 11.0, 13.0, , 0.0, 2.51690006256104, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC11H16N2O2%2Fc1-8-7-9%2815-11%2814%2912-2%295-6-10%288%2913%283%294%2Fh5-7H%2C1-4H3%2C%28H%2C12%2C14%29, 2.23000001907349, 1.19902503490448, 0.0, 35.0377006530762, 2.50799989700317, 11.0, 6.0, 15.0, 31.0, , 5.0, 1.09500002861023, 0.0, 3.0, 1.0, 6.0
-InChI%3D1S%2FC7H5NO4%2Fc9-6%2810%294-2-1-3-5%288-4%297%2811%2912%2Fh1-3H%2C%28H%2C9%2C10%29%28H%2C11%2C12%29, 1.67999994754791, 0.230016157031059, 0.0, 14.4385995864868, 0.649999976158142, 12.0, 6.0, 12.0, 17.0, , 3.0, -0.479600012302399, 0.0, 2.0, 2.0, 6.0
-InChI%3D1S%2FC13H29NO4%2Fc1-6-15-12%2816-7-2%2910-14%285%2911-13%2817-8-3%2918-9-4%2Fh12-13H%2C6-11H2%2C1-5H3, 2.33999991416931, 1.43400621414185, 2.0, 70.8125, 1.34300005435944, 0.0, 0.0, 17.0, 47.0, , 18.0, 1.19749999046326, 1.0, 12.0, 0.0, 0.0
-InChI%3D1S%2FC8H6BrNO5%2Fc1-15-8-6%2810%2813%2914%294%283-11%292-5%289%297%288%2912%2Fh2-3%2C12H%2C1H3, 1.57000005245209, 0.0189612898975611, 0.0, 27.659200668335, 1.36099994182587, 13.0, 6.0, 15.0, 21.0, , 2.0, 0.137700006365776, 0.0, 3.0, 1.0, 6.0
-InChI%3D1S%2FC12H21N2O3PS%2Fc1-6-15-18%2819%2C16-7-2%2917-11-8-10%285%2913-12%2814-11%299%283%294%2Fh8-9H%2C6-7H2%2C1-5H3, 2.00999999046326, 6.34133100509644, 2.0, 58.980899810791, 4.2960000038147, 11.0, 6.0, 19.0, 40.0, , 9.0, 2.5181999206543, 0.0, 7.0, 0.0, 6.0
-InChI%3D1S%2FC6H10O%2Fc7-6-4-2-1-3-5-6%2Fh1-5H2, 2.00999999046326, 1.11978721618652, 0.0, 23.17919921875, 0.920000016689301, 2.0, 0.0, 7.0, 17.0, , 0.0, -1.05820000171661, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H11BrO3%2Fc1-13-7-3-4-10%2814-2%298%285-7%299%2812%296-11%2Fh3-5H%2C6H2%2C1-2H3, 2.11999988555908, 0.102144159376621, 2.0, 33.1386985778809, 1.98500001430511, 10.0, 6.0, 14.0, 25.0, , 4.0, 0.319599986076355, 0.0, 4.0, 0.0, 6.0
-InChI%3D1S%2FC7H7NO%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H%2C%28H2%2C8%2C9%29, 2.00999999046326, 0.00665856013074517, 0.0, 8.47640037536621, 3.07200002670288, 9.0, 6.0, 9.0, 16.0, , 3.0, -0.0816000029444695, 0.0, 1.0, 2.0, 6.0
-InChI%3D1S%2FC6H14O4%2Fc7-1-3-9-5-6-10-4-2-8%2Fh7-8H%2C1-6H2, 1.67999994754791, 1.34374463558197, 2.0, 36.6405982971191, -1.58800005912781, 0.0, 0.0, 9.0, 24.0, , 10.0, -1.15919995307922, 0.0, 7.0, 2.0, 0.0
-InChI%3D1S%2FC12H22O4%2Fc1-3-5-9-15-11%2813%297-8-12%2814%2916-10-6-4-2%2Fh3-10H2%2C1-2H3, 2.33999991416931, 1.29686546325684, 4.0, 54.5499992370605, 2.63199996948242, 3.0, 0.0, 15.0, 38.0, , 16.0, -1.13880002498627, 1.0, 11.0, 0.0, 0.0
-InChI%3D1S%2FC16H25NO2%2Fc1-3-4-5-6-7-10-13-19-16-12-9-8-11-15%2816%2917-14%282%2918%2Fh8-9%2C11-12H%2C3-7%2C10%2C13H2%2C1-2H3%2C%28H%2C17%2C18%29, 2.89000010490417, 3.57550287246704, 8.0, 43.600399017334, 5.81099987030029, 10.0, 6.0, 19.0, 44.0, , 9.0, -1.89090001583099, 1.0, 9.0, 1.0, 6.0
-InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh1%2C5H%2C3-4H2, 1.78999996185303, 0.326955229043961, 4.0, 19.4927997589111, -0.0729999989271164, 2.0, 0.0, 4.0, 11.0, , 5.0, 0.571799993515015, 0.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC5H12O%2Fc1-2-3-4-5-6%2Fh6H%2C2-5H2%2C1H3, 1.89999997615814, 1.59113001823425, 5.0, 21.9102993011475, 1.41999995708466, 0.0, 0.0, 5.0, 18.0, , 6.0, -1.26139998435974, 0.0, 3.0, 1.0, 0.0
-InChI%3D1S%2FC6H6FN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2, 1.89999997615814, 0.0730080381035805, 0.0, 5.09460020065308, 1.72500002384186, 7.0, 6.0, 8.0, 14.0, , 0.0, -0.27020001411438, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC6H13NO%2Fc1-5-3-7-4-6%282%298-5%2Fh5-7H%2C3-4H2%2C1-2H3, 1.89999997615814, 0.301950246095657, 0.0, 32.9366989135742, 0.34400001168251, 0.0, 0.0, 8.0, 21.0, , 0.0, -0.549499988555908, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC8H14O%2Fc1-7%282%295-4-6-8%283%299%2Fh5H%2C4%2C6H2%2C1-3H3, 2.23000001907349, 2.53669333457947, 7.0, 39.8740997314453, 1.7960000038147, 2.0, 0.0, 8.0, 23.0, , 9.0, 1.59270000457764, 0.0, 3.0, 0.0, 0.0
-InChI%3D1S%2F4C2H5.Sn.2H%2Fc4%2A1-2%3B%3B%3B%2Fh4%2A1H2%2C2H3%3B%3B%3B, 2.23000001907349, 7.44634962081909, 0.0, 42.2263984680176, 5.91200017929077, 0.0, 0.0, 4.0, 37.0, , 1.0, 2.72880005836487, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H10O3%2Fc1-5%282%296%288%299-4-3-7%2Fh7H%2C1%2C3-4H2%2C2H3, 1.78999996185303, 0.391500502824783, 3.0, 32.7098999023438, 0.00499999988824129, 5.0, 0.0, 8.0, 19.0, , 9.0, 0.625699996948242, 0.0, 4.0, 1.0, 0.0
-InChI%3D1S%2FC6H10O%2Fc1-3-5-6%287%294-2%2Fh3-4%2C6-7H%2C1-2%2C5H2, 2.00999999046326, 1.34536802768707, 6.0, 30.7087001800537, 1.20299994945526, 2.0, 0.0, 6.0, 17.0, , 7.0, 1.15989995002747, 0.0, 3.0, 1.0, 0.0
-InChI%3D1S%2FC8H18S2%2Fc1-3-9-7-5-6-8-10-4-2%2Fh3-8H2%2C1-2H3, 2.11999988555908, 1.77902245521545, 4.0, 50.815601348877, 3.71399998664856, 0.0, 0.0, 9.0, 28.0, , 10.0, 1.33379995822906, 0.0, 7.0, 0.0, 0.0
-InChI%3D1S%2FC7HF5O%2Fc8-3-2%281-13%294%289%296%2811%297%2812%295%283%2910%2Fh1H, 1.57000005245209, 4.86687707901001, 0.0, 10.6563997268677, 2.24200010299683, 8.0, 6.0, 13.0, 14.0, , 2.0, 2.20609998703003, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H, 1.24000000953674, 2.6153359413147, 0.0, 21.364200592041, 2.07399988174438, 0.0, 0.0, 3.0, 5.0, , 4.0, 1.6172000169754, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC20H28O2%2Fc1-13%282%2914-6-8-16-15%2812-14%297-9-17-19%2816%2C3%2910-5-11-20%2817%2C4%2918%2821%2922%2Fh6%2C8%2C12-13%2C17H%2C5%2C7%2C9-11H2%2C1-4H3%2C%28H%2C21%2C22%29%2Ft17-%2C19-%2C20-%2Fm1%2Fs1, 3.44000005722046, 0.812521934509277, 3.0, 63.4715995788574, 7.94600009918213, 6.0, 6.0, 24.0, 50.0, , 3.0, 0.901400029659271, 1.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC5H10Cl2%2Fc6-4-2-1-3-5-7%2Fh1-5H2, 1.78999996185303, 0.419644832611084, 5.0, 29.3903999328613, 2.81399989128113, 0.0, 0.0, 6.0, 17.0, , 7.0, 0.647800028324127, 0.0, 4.0, 0.0, 0.0
-InChI%3D1S%2FC6H12O%2Fc1-3-4-5-6%282%297%2Fh3-5H2%2C1-2H3, 2.00999999046326, 0.553238451480865, 6.0, 27.0415000915527, 1.57599997520447, 1.0, 0.0, 6.0, 19.0, , 7.0, -0.743799984455109, 0.0, 3.0, 0.0, 0.0
-InChI%3D1S%2FC9H13N%2Fc1-8-4-6-9%287-5-8%2910%282%293%2Fh4-7H%2C1-3H3, 2.33999991416931, 0.739256024360657, 0.0, 19.7935009002686, 2.92899990081787, 7.0, 6.0, 10.0, 23.0, , 2.0, 0.859799981117249, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC5Cl5N%2Fc6-1-2%287%294%289%2911-5%2810%293%281%298, 1.35000002384186, 10.8919801712036, 0.0, 29.0512008666992, 2.65000009536743, 6.0, 6.0, 11.0, 11.0, , 0.0, 3.30029988288879, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC12H19N%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9H%2C13H2%2C1-4H3, 2.67000007629395, 0.156736806035042, 3.0, 32.7577018737793, 4.35500001907349, 7.0, 6.0, 13.0, 32.0, , 3.0, 0.395900011062622, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC7H4Cl4%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3%2C7H, 1.78999996185303, 7.22641944885254, 0.0, 26.6131000518799, 3.85999989509583, 6.0, 6.0, 11.0, 15.0, , 3.0, 2.68819999694824, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC5H6ClN3%2Fc1-3-2-4%286%299-5%287%298-3%2Fh2H%2C1H3%2C%28H2%2C7%2C8%2C9%29, 1.57000005245209, 0.00822648964822292, 0.0, 32.6875991821289, 1.33200001716614, 4.0, 0.0, 9.0, 19.0, , 0.0, -0.0907000005245209, 0.0, 0.0, 3.0, 0.0
-InChI%3D1S%2FC8H8N2O%2Fc1-5-3-6%282%2910-8%2811%297%285%294-9%2Fh3H%2C1-2H3%2C%28H%2C10%2C11%29, 2.00999999046326, 0.430204808712006, 0.0, 19.9978008270264, 1.10500001907349, 9.0, 6.0, 11.0, 19.0, , 2.0, 0.655900001525879, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC7H6Cl2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4H%2C1H3, 2.00999999046326, 4.53945636749268, 0.0, 16.7332992553711, 3.31100010871887, 6.0, 6.0, 9.0, 15.0, , 0.0, 2.13059997558594, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC6H3Br3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, 1.67999994754791, 4.86687707901001, 0.0, 28.3619003295898, 3.13499999046326, 7.0, 6.0, 10.0, 13.0, , 0.0, 2.20609998703003, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC2H3Cl3%2Fc1-2%283%2C4%295%2Fh1H3, 1.35000002384186, 4.11805868148804, 2.0, 26.2173004150391, 2.46900010108948, 0.0, 0.0, 4.0, 8.0, , 5.0, 2.02929997444153, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H6ClN%2Fc1-5-3-2-4-6%287%298-5%2Fh2-4H%2C1H3, 1.89999997615814, 0.94711822271347, 0.0, 11.8346996307373, 2.37800002098083, 6.0, 6.0, 8.0, 14.0, , 0.0, 0.973200023174286, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296, 1.24000000953674, 5.89906930923462, 2.0, 30.9454002380371, 3.02600002288818, 2.0, 0.0, 5.0, 6.0, , 6.0, 2.42880010604858, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H14O%2Fc1-4-6%283%2C7%295-2%2Fh7H%2C4-5H2%2C1-3H3, 2.00999999046326, 0.606996834278107, 5.0, 28.2206993103027, 1.51699995994568, 0.0, 0.0, 6.0, 21.0, , 7.0, -0.779100000858307, 0.0, 2.0, 1.0, 0.0
-InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H, 2.55999994277954, 0.0, 0.0, 0.0, 5.93800020217896, 10.0, 10.0, 11.0, 18.0, , 0.0, 0.0, 1.0, 0.0, 0.0, 11.0
-InChI%3D1S%2FC4H11N%2Fc1-3-5-4-2%2Fh5H%2C3-4H2%2C1-2H3, 1.78999996185303, 0.0812250003218651, 2.0, 23.2810001373291, 0.670000016689301, 0.0, 0.0, 4.0, 16.0, , 5.0, 0.284999996423721, 0.0, 2.0, 1.0, 0.0
-InChI%3D1S%2FC7H3Cl2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H, 1.78999996185303, 1.12996900081635, 0.0, 19.9944000244141, 1.37300002574921, 9.0, 6.0, 11.0, 14.0, , 2.0, 1.06299996376038, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H, 2.11999988555908, 0.0370177589356899, 0.0, 6.29390001296997, 3.07999992370605, 8.0, 6.0, 8.0, 14.0, , 2.0, -0.192399993538857, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC6H5Cl2N%2Fc7-5-2-1-4%289%293-6%285%298%2Fh1-3H%2C9H2, 1.78999996185303, 0.545677661895752, 0.0, 15.4533004760742, 1.95799994468689, 7.0, 6.0, 9.0, 14.0, , 0.0, 0.738699972629547, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC4H5N%2Fc1-2-3-4-5%2Fh2H%2C1%2C3H2, 1.78999996185303, 0.603729009628296, 4.0, 20.8950004577637, 0.675999999046326, 2.0, 0.0, 4.0, 10.0, , 5.0, 0.77700001001358, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC7H5NO3S.Na.H2O%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%3B%3B%2Fh1-4H%2C%28H%2C8%2C9%29%3B%3B1H2%2Fq%3B%2B1%3B%2Fp-1, 1.46000003814697, , 0.0, , , 12.0, 6.0, 13.0, 20.0, , 0.0, , , 0.0, 1.0, 6.0
-InChI%3D1S%2FC5H10O%2Fc1-3-5%282%294-6%2Fh4-5H%2C3H2%2C1-2H3, 1.89999997615814, 0.0180364903062582, 4.0, 24.4582996368408, 1.44900000095367, 1.0, 0.0, 5.0, 16.0, , 6.0, -0.134299993515015, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2F4C4H9.Sn.2H%2Fc4%2A1-3-4-2%3B%3B%3B%2Fh4%2A1%2C3-4H2%2C2H3%3B%3B%3B, 3.10999989509583, 3.58572101593018, 4.0, 70.4823989868164, 10.46399974823, 0.0, 0.0, 12.0, 61.0, , 4.0, -1.89359998703003, 1.0, 4.0, 0.0, 0.0
-InChI%3D1S%2FC7H12O4%2Fc1-3-10-6%288%295-7%289%2911-4-2%2Fh3-5H2%2C1-2H3, 1.78999996185303, 0.311363995075226, 3.0, 37.1136016845703, 1.18900001049042, 3.0, 0.0, 10.0, 23.0, , 11.0, 0.558000028133392, 0.0, 6.0, 0.0, 0.0
-InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3%2B, 2.00999999046326, 0.255631357431412, 6.0, 29.3173007965088, 1.47300004959106, 2.0, 0.0, 6.0, 19.0, , 7.0, -0.505599975585938, 0.0, 3.0, 1.0, 0.0
-InChI%3D1S%2FC8H8O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-6H%2C1H3, 2.23000001907349, 0.0644652098417282, 2.0, 10.7704000473022, 2.93099999427795, 8.0, 6.0, 9.0, 17.0, , 3.0, -0.253899991512299, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC6H2F5N%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H2, 1.46000003814697, 2.71788191795349, 0.0, 8.5846004486084, 1.56099998950958, 7.0, 6.0, 12.0, 14.0, , 0.0, 1.64859998226166, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H, 2.00999999046326, 0.211876094341278, 0.0, 2.56459999084473, 2.04399991035461, 7.0, 6.0, 7.0, 13.0, , 0.0, -0.460299998521805, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC9H10O2%2Fc1-2-11-9-5-3-8%287-10%294-6-9%2Fh3-7H%2C2H2%2C1H3, 2.23000001907349, 3.84400009352248e-05, 2.0, 17.9034996032715, 2.42600011825562, 9.0, 6.0, 11.0, 21.0, , 3.0, 0.00620000017806888, 0.0, 3.0, 0.0, 6.0
-InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-1-2-5%287%2810%2911%296%289%293-4%2Fh1-3H%2C%28H2%2C10%2C11%29, 1.78999996185303, 1.97964894771576, 0.0, 19.7075996398926, 2.63100004196167, 9.0, 6.0, 11.0, 16.0, , 2.0, 1.40699994564056, 0.0, 1.0, 2.0, 6.0
-InChI%3D1S%2FC10H14N2.H2O4S%2Fc1-12-7-3-5-10%2812%299-4-2-6-11-8-9%3B1-5%282%2C3%294%2Fh2%2C4%2C6%2C8%2C10H%2C3%2C5%2C7H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29, 1.78999996185303, 1.33888041973114, 0.0, 35.7252006530762, -0.279000014066696, 6.0, 6.0, 17.0, 33.0, , 5.0, -1.1570999622345, 0.0, 1.0, 2.0, 6.0
-InChI%3D1S%2FC6H5NO3%2Fc8-6-3-1-5%282-4-6%297%289%2910%2Fh1-4%2C8H, 1.67999994754791, 0.256947606801987, 0.0, 5.45039987564087, 1.72000002861023, 10.0, 6.0, 10.0, 15.0, , 2.0, -0.506900012493134, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC14H26O4%2Fc1-3-5-11-17-13%2815%299-7-8-10-14%2816%2918-12-6-4-2%2Fh3-12H2%2C1-2H3, 2.55999994277954, 2.94053912162781, 6.0, 60.3731994628906, 3.34800004959106, 3.0, 0.0, 17.0, 44.0, , 18.0, -1.71480000019073, 1.0, 13.0, 0.0, 0.0
-InChI%3D1S%2FC9H10O%2Fc1-2-5-8-6-3-4-7-9%288%2910%2Fh2-4%2C6-7%2C10H%2C1%2C5H2, 2.33999991416931, 0.323078572750092, 3.0, 17.4664001464844, 2.92799997329712, 7.0, 6.0, 10.0, 20.0, , 3.0, 0.568400025367737, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC7H5BrO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H, 1.89999997615814, 0.0557432100176811, 0.0, 17.4575996398926, 2.34699988365173, 9.0, 6.0, 10.0, 15.0, , 2.0, 0.236100003123283, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3-, 2.00999999046326, 0.255631357431412, 6.0, 29.3173007965088, 1.47300004959106, 2.0, 0.0, 6.0, 19.0, , 7.0, -0.505599975585938, 0.0, 3.0, 1.0, 0.0
-InChI%3D1S%2FC2H2ClN%2Fc3-1-2-4%2Fh1H2, 1.46000003814697, 0.3331598341465, 2.0, 16.37619972229, 0.26800000667572, 1.0, 0.0, 3.0, 6.0, , 4.0, 0.577199995517731, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H15NO3%2Fc1-8%282%2914-9-6-4-5-7-10%289%2915-11%2813%2912-3%2Fh4-8H%2C1-3H3%2C%28H%2C12%2C13%29, 2.23000001907349, 0.0177688896656036, 0.0, 32.0586013793945, 3.23600006103516, 11.0, 6.0, 15.0, 30.0, , 5.0, 0.133300006389618, 0.0, 4.0, 1.0, 6.0
-InChI%3D1S%2FC9H9N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh1-3H%2C7-9H2, 2.33999991416931, 5.48824310302734, 3.0, 40.3272018432617, 0.866999983787537, 2.0, 0.0, 9.0, 19.0, , 10.0, 2.34270000457764, 0.0, 3.0, 0.0, 0.0
-InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3, 2.00999999046326, 0.0495062507688999, 5.0, 27.1746006011963, 0.763000011444092, 2.0, 0.0, 6.0, 17.0, , 7.0, 0.222499996423721, 0.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC6H5ClN2O2%2Fc7-5-3-4%289%2810%2911%291-2-6%285%298%2Fh1-3H%2C8H2, 1.57000005245209, 0.00272484007291496, 0.0, 12.72350025177, 1.74899995326996, 10.0, 6.0, 11.0, 16.0, , 3.0, -0.0522000007331371, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC12H18N2O3.Na%2Fc1-4-6-8%283%2912%287-5-2%299%2815%2913-11%2817%2914-10%2812%2916%3B%2Fh5%2C8H%2C2%2C4%2C6-7H2%2C1%2C3H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29%3B%2Fq%3B%2B1%2Fp-1, 2.11999988555908, , 5.0, , 3.2720000743866, 8.0, 0.0, 17.0, 35.0, , 5.0, , 0.0, 5.0, 1.0, 0.0
-InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-4-2-1-3-6%287%295-12%2Fh1-4H, 1.89999997615814, 1.28323578834534, 0.0, 12.6331996917725, 3.6800000667572, 8.0, 6.0, 12.0, 16.0, , 3.0, 1.1327999830246, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC4H10O%2Fc1-3-4%282%295%2Fh4-5H%2C3H2%2C1-2H3, 1.78999996185303, 0.484555214643478, 4.0, 20.6714992523193, 0.741999983787537, 0.0, 0.0, 4.0, 15.0, , 5.0, -0.696099996566772, 0.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC5H4N2O3%2Fc8-4-2-1-3-6-5%284%297%289%2910%2Fh1-3%2C8H, 1.46000003814697, 0.256947606801987, 0.0, 5.45039987564087, 1.35899996757507, 10.0, 6.0, 10.0, 14.0, , 3.0, -0.506900012493134, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC9H10O3%2Fc1-11-8-4-3-7%286-10%299%285-8%2912-2%2Fh3-6H%2C1-2H3, 2.11999988555908, 0.0876159965991974, 0.0, 20.925500869751, 1.55900001525879, 10.0, 6.0, 12.0, 22.0, , 2.0, -0.296000003814697, 0.0, 3.0, 0.0, 6.0
-InChI%3D1S%2FC6H7N%2Fc1-6-4-2-3-5-7-6%2Fh2-5H%2C1H3, 2.00999999046326, 0.193160250782967, 0.0, 5.73250007629395, 1.89699995517731, 6.0, 6.0, 7.0, 14.0, , 0.0, 0.439500004053116, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC7H5FO%2Fc8-7-4-2-1-3-6%287%295-9%2Fh1-5H, 2.00999999046326, 0.082541286945343, 0.0, 7.16639995574951, 2.61700010299683, 8.0, 6.0, 9.0, 14.0, , 2.0, 0.287299990653992, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC7H4Br2O2%2Fc8-5-1-4%283-10%297%2811%296%289%292-5%2Fh1-3%2C11H, 1.78999996185303, 1.26540005207062, 0.0, 26.0566997528076, 2.78099989891052, 9.0, 6.0, 11.0, 15.0, , 2.0, 1.12489998340607, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC13H22N.ClH%2Fc1-4-14%285-2%2C6-3%2912-13-10-8-7-9-11-13%3B%2Fh7-11H%2C4-6%2C12H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, 2.67000007629395, , 2.0, , 4.56099987030029, 6.0, 6.0, 14.0, 37.0, , 8.0, , 0.0, 5.0, 0.0, 6.0
-InChI%3D1S%2FC7H16O%2Fc1-2-3-4-5-6-7-8%2Fh8H%2C2-7H2%2C1H3, 2.11999988555908, 3.37603878974915, 7.0, 27.7334995269775, 2.55800008773804, 0.0, 0.0, 7.0, 24.0, , 8.0, -1.83739995956421, 0.0, 5.0, 1.0, 0.0
-InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H, 1.78999996185303, 0.0237468108534813, 0.0, 1.61909997463226, 1.01800000667572, 5.0, 5.0, 5.0, 9.0, , 0.0, -0.154100000858307, 0.0, 0.0, 0.0, 5.0
-InChI%3D1S%2FC5H8F4O%2Fc1-4%282%2C10%295%288%2C9%293%286%297%2Fh3%2C10H%2C1-2H3, 1.46000003814697, 1.5109326839447, 4.0, 26.5454998016357, 2.16799998283386, 0.0, 0.0, 9.0, 18.0, , 10.0, 1.22920000553131, 0.0, 2.0, 1.0, 0.0
-InChI%3D1S%2FC4H6Cl2%2Fc1-2-4%286%293-5%2Fh2%2C4H%2C1%2C3H2, 1.67999994754791, 4.65394306182861, 4.0, 29.4885005950928, 2.02500009536743, 2.0, 0.0, 5.0, 12.0, , 6.0, 2.15729999542236, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC4H10O%2Fc1-3-5-4-2%2Fh3-4H2%2C1-2H3, 1.78999996185303, 0.303931683301926, 2.0, 21.6000995635986, 0.86599999666214, 0.0, 0.0, 4.0, 15.0, , 5.0, 0.55129998922348, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H, 1.35000002384186, 3.03735184669495, 2.0, 25.2621994018555, 2.64199995994568, 2.0, 0.0, 4.0, 6.0, , 5.0, 1.74279999732971, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H10O%2Fc1-3-4-5%282%296%2Fh3-4H2%2C1-2H3, 1.89999997615814, 0.207753643393517, 5.0, 24.1298999786377, 1.00699996948242, 1.0, 0.0, 5.0, 16.0, , 6.0, -0.455799996852875, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC10H22O%2Fc1-3-5-7-9-11-10-8-6-4-2%2Fh3-10H2%2C1-2H3, 2.45000004768372, 3.08458971977234, 5.0, 40.3105010986328, 3.85800004005432, 0.0, 0.0, 10.0, 33.0, , 11.0, -1.75629997253418, 0.0, 8.0, 0.0, 0.0
-InChI%3D1S%2FC7H12O%2Fc1-5-7%284%2C8%296%282%293%2Fh1%2C6%2C8H%2C2-4H3, 2.11999988555908, 1.06523036956787, 5.0, 32.6320991516113, 1.05999994277954, 2.0, 0.0, 7.0, 20.0, , 8.0, 1.0320999622345, 0.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC10H12N3O3PS2%2Fc1-15-17%2818%2C16-2%2919-7-13-10%2814%298-5-3-4-6-9%288%2911-12-13%2Fh3-6H%2C7H2%2C1-2H3, 1.57000005245209, 0.00866760965436697, 0.0, 55.1116981506348, 3.60999989509583, 11.0, 6.0, 20.0, 33.0, , 8.0, 0.0930999964475632, 0.0, 5.0, 2.0, 6.0
-InChI%3D1S%2FC11H16N2%2Fc1-2-4-11%285-3-1%2910-13-8-6-12-7-9-13%2Fh1-5%2C12H%2C6-10H2, 2.45000004768372, 0.121940642595291, 0.0, 29.7590007781982, 2.375, 6.0, 6.0, 14.0, 29.0, , 0.0, -0.349200010299683, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC10H18%2Fc1-3-5-7-9-10-8-6-4-2%2Fh3-4H%2C1-2%2C5-10H2, 2.55999994277954, 0.599385619163513, 10.0, 40.8443984985352, 5.2979998588562, 2.0, 0.0, 9.0, 28.0, , 10.0, 0.774200022220612, 1.0, 7.0, 0.0, 0.0
-InChI%3D1S%2FC6H13Br%2Fc1-2-3-4-5-6-7%2Fh2-6H2%2C1H3, 2.00999999046326, 0.0401200912892818, 6.0, 30.8563995361328, 3.80100011825562, 0.0, 0.0, 6.0, 20.0, , 7.0, -0.200299993157387, 0.0, 4.0, 0.0, 0.0
-InChI%3D1S%2FC15H12O%2Fc1-2-15%2816%2C13-9-5-3-6-10-13%2914-11-7-4-8-12-14%2Fh1%2C3-12%2C16H, 3.0, 0.000388090003980324, 3.0, 12.631799697876, 5.375, 6.0, 12.0, 17.0, 28.0, , 4.0, 0.0197000000625849, 1.0, 2.0, 1.0, 12.0
-InChI%3D1S%2FC9H7N%2Fc1-2-6-9-8%284-1%295-3-7-10-9%2Fh1-7H, 2.33999991416931, 0.0, 0.0, 0.0, 3.02800011634827, 10.0, 10.0, 11.0, 17.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 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, 2.23000001907349, 2.68304395675659, 4.0, 60.3110008239746, 3.35999989509583, 5.0, 0.0, 16.0, 44.0, , 17.0, -1.63800001144409, 1.0, 12.0, 0.0, 0.0
-InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3, 1.57000005245209, 0.301181435585022, 0.0, 11.273699760437, 2.68199992179871, 12.0, 6.0, 13.0, 19.0, , 3.0, 0.548799991607666, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC4H8Cl2%2Fc5-3-1-2-4-6%2Fh1-4H2, 1.67999994754791, 0.875721633434296, 4.0, 26.4787998199463, 2.45600008964539, 0.0, 0.0, 5.0, 14.0, , 6.0, 0.935800015926361, 0.0, 3.0, 0.0, 0.0
-InChI%3D1S%2FC6H12O%2Fc1-5%287%296%282%2C3%294%2Fh1-4H3, 2.00999999046326, 1.69598531723022, 4.0, 29.8971996307373, 0.931999981403351, 1.0, 0.0, 6.0, 19.0, , 7.0, 1.30229997634888, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC8H11N%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6H%2C2%2C9H2%2C1H3, 2.23000001907349, 0.19624899327755, 2.0, 14.5726003646851, 2.86899995803833, 7.0, 6.0, 9.0, 20.0, , 2.0, -0.442999988794327, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC4H6Cl2%2Fc1-4%282-5%293-6%2Fh1-3H2, 1.67999994754791, 4.09536170959473, 3.0, 29.5827007293701, 1.47800004482269, 2.0, 0.0, 5.0, 12.0, , 6.0, 2.02369999885559, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh6H%2C2-5H2%2C1H3, 2.00999999046326, 0.941482067108154, 6.0, 25.4766006469727, 2.29399991035461, 1.0, 0.0, 6.0, 19.0, , 7.0, -0.970300018787384, 0.0, 4.0, 0.0, 0.0
-InChI%3D1S%2FC6H12O%2Fc1-5%282%294-6%283%297%2Fh5H%2C4H2%2C1-3H3, 2.00999999046326, 0.125174432992935, 5.0, 29.5874004364014, 1.51499998569489, 1.0, 0.0, 6.0, 19.0, , 7.0, 0.353799998760223, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC19H12O6%2Fc20-16-10-5-1-3-7-14%2810%2924-18%2822%2912%2816%299-13-17%2821%2911-6-2-4-8-15%2811%2925-19%2813%2923%2Fh1-8%2C20-21H%2C9H2, 2.89000010490417, 2.04661631584167, 0.0, 36.617000579834, 2.73000001907349, 9.0, 12.0, 28.0, 41.0, , 0.0, -1.43060004711151, 0.0, 2.0, 2.0, 12.0
-InChI%3D1S%2FC9H10O3%2Fc1-2-12-9%2811%297-5-3-4-6-8%287%2910%2Fh3-6%2C10H%2C2H2%2C1H3, 2.11999988555908, 0.0394816882908344, 2.0, 18.8467998504639, 2.4539999961853, 10.0, 6.0, 12.0, 22.0, , 5.0, -0.198699995875359, 0.0, 3.0, 1.0, 6.0
-InChI%3D1S%2FC8H10N4O2%2Fc1-10-4-9-6-5%2810%297%2813%2912%283%298%2814%2911%286%292%2Fh4H%2C1-3H3, 1.67999994754791, 0.185847207903862, 0.0, 34.872200012207, -0.625, 6.0, 0.0, 15.0, 24.0, , 0.0, -0.431100010871887, 0.0, 0.0, 1.0, 5.0
-InChI%3D1S%2FC3H2F6O%2Fc4-2%285%2C6%291%2810%293%287%2C8%299%2Fh1%2C10H, 1.01999998092651, 2.84091019630432, 3.0, 18.8316993713379, 2.38800001144409, 0.0, 0.0, 9.0, 12.0, , 10.0, 1.68550002574921, 0.0, 2.0, 1.0, 0.0
-InChI%3D1S%2FC9H10O3%2Fc1-2-12-9-5-7%286-10%293-4-8%289%2911%2Fh3-6%2C11H%2C2H2%2C1H3, 2.11999988555908, 0.206206813454628, 2.0, 20.4680995941162, 1.46300005912781, 10.0, 6.0, 12.0, 22.0, , 3.0, -0.454100012779236, 0.0, 3.0, 1.0, 6.0
-InChI%3D1S%2FC6H6ClN%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C8H2, 1.89999997615814, 3.13599994115066e-05, 0.0, 9.83769989013672, 1.86199998855591, 7.0, 6.0, 8.0, 14.0, , 0.0, -0.00559999980032444, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC10H16%2Fc1-7-2-9-4-8%281%295-10%283-7%296-9%2Fh7-10H%2C1-6H2, 2.55999994277954, 0.722500026226044, 0.0, 40.4035987854004, 4.76599979400635, 0.0, 0.0, 12.0, 26.0, , 0.0, -0.850000023841858, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H11Cl3NO3PS%2Fc1-3-14-17%2818%2C15-4-2%2916-9-7%2811%295-6%2810%298%2812%2913-9%2Fh5H%2C3-4H2%2C1-2H3, 1.46000003814697, 12.4474897384644, 2.0, 56.3139991760254, 4.21600008010864, 11.0, 6.0, 18.0, 29.0, , 9.0, 3.52810001373291, 0.0, 6.0, 0.0, 6.0
-InChI%3D1S%2FC7H9NO%2Fc1-6%289%297-4-3-5-8%287%292%2Fh3-5H%2C1-2H3, 2.00999999046326, 0.0191545598208904, 2.0, 19.3651008605957, 0.950999975204468, 7.0, 5.0, 9.0, 18.0, , 3.0, -0.138400003314018, 0.0, 1.0, 0.0, 5.0
-InChI%3D1S%2FC8H18S2%2Fc1-9-7-5-3-4-6-8-10-2%2Fh3-8H2%2C1-2H3, 2.11999988555908, 0.0660490021109581, 6.0, 48.0512008666992, 3.71399998664856, 0.0, 0.0, 9.0, 28.0, , 10.0, 0.256999999284744, 0.0, 7.0, 0.0, 0.0
-InChI%3D1S%2FC6H4Br2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H, 1.89999997615814, 3.15986180305481, 0.0, 17.1982002258301, 3.66400003433228, 6.0, 6.0, 8.0, 12.0, , 0.0, 1.77760004997253, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC4H9Br%2Fc1-2-3-4-5%2Fh2-4H2%2C1H3, 1.78999996185303, 0.141150489449501, 4.0, 25.0331993103027, 2.66300010681152, 0.0, 0.0, 4.0, 14.0, , 5.0, 0.375699996948242, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC7H7NO2%2Fc1-6-3-2-4-7%285-6%298%289%2910%2Fh2-5H%2C1H3, 1.89999997615814, 0.354501157999039, 0.0, 8.38790035247803, 3.21700000762939, 9.0, 6.0, 10.0, 17.0, , 2.0, 0.595399975776672, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC6H3Cl4N%2Fc7-2-1-3%288%295%2810%296%2811%294%282%299%2Fh1H%2C11H2, 1.57000005245209, 4.96086549758911, 0.0, 26.6844997406006, 2.15000009536743, 7.0, 6.0, 11.0, 14.0, , 0.0, 2.22729992866516, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-3-6%288%295-7%2Fh2-5%2C8H%2C1H3, 2.00999999046326, 0.262246400117874, 0.0, 9.88039970397949, 1.38900005817413, 8.0, 6.0, 9.0, 17.0, , 2.0, -0.512099981307983, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC3H9NO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2%2C4H2%2C1H3, 1.57000005245209, 1.43448531627655, 3.0, 20.7954998016357, -0.814999997615814, 0.0, 0.0, 4.0, 14.0, , 5.0, -1.19770002365112, 0.0, 1.0, 2.0, 0.0
-InChI%3D1S%2FCHI3%2Fc2-1%283%294%2Fh1H, 1.24000000953674, 0.51609855890274, 0.0, 45.6068992614746, 3.68799996376038, 0.0, 0.0, 3.0, 5.0, , 4.0, 0.718400001525879, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H14O%2Fc1-5%282%297-6%283%294%2Fh5-6H%2C1-4H3, 2.00999999046326, 0.00247009005397558, 3.0, 32.0097007751465, 1.78600001335144, 0.0, 0.0, 6.0, 21.0, , 7.0, -0.0496999993920326, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC6H12O2%2Fc1-3-4-5-8-6%282%297%2Fh3-5H2%2C1-2H3, 1.89999997615814, 0.35319247841835, 4.0, 28.1501998901367, 1.59099996089935, 3.0, 0.0, 7.0, 20.0, , 8.0, -0.594299972057343, 0.0, 4.0, 0.0, 0.0
-InChI%3D1S%2FC3H6O3%2Fc1-4-2-6-3-5-1%2Fh1-3H2, 1.46000003814697, 0.198737636208534, 0.0, 17.5590000152588, -0.158999994397163, 0.0, 0.0, 6.0, 12.0, , 0.0, -0.445800006389618, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H18O2%2Fc1-2-3-4-5-6-9-7-8-10%2811%2912-9%2Fh9H%2C2-8H2%2C1H3, 2.33999991416931, 3.18051552772522, 6.0, 37.6071014404297, 3.31299996376038, 3.0, 0.0, 12.0, 30.0, , 6.0, -1.78340005874634, 0.0, 5.0, 0.0, 0.0
-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%2B, 2.45000004768372, 0.211876094341278, 0.0, 2.56459999084473, 4.92600011825562, 15.0, 12.0, 16.0, 25.0, , 2.0, -0.460299998521805, 0.0, 2.0, 1.0, 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, 2.55999994277954, 3.97244763374329, 6.0, 28.0984992980957, 3.80999994277954, 8.0, 6.0, 14.0, 33.0, , 7.0, -1.99310004711151, 0.0, 6.0, 1.0, 6.0
-InChI%3D1S%2FC6H9NO%2Fc1-4-5%282%298-6%283%297-4%2Fh1-3H3, 1.89999997615814, 0.602486431598663, 0.0, 18.9827995300293, 1.61300003528595, 0.0, 0.0, 8.0, 17.0, , 0.0, 0.776199996471405, 0.0, 0.0, 1.0, 5.0
-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, 3.22000002861023, 0.920064628124237, 0.0, 6.97349977493286, 6.92700004577637, 20.0, 18.0, 22.0, 35.0, , 2.0, -0.959200024604797, 1.0, 3.0, 0.0, 18.0
-InChI%3D1S%2FC11H13NO%2Fc1-12%282%2911-7-5-10%286-8-11%294-3-9-13%2Fh3-9H%2C1-2H3%2Fb4-3%2B, 2.45000004768372, 0.149382248520851, 3.0, 30.828800201416, 2.52900004386902, 11.0, 6.0, 13.0, 26.0, , 4.0, 0.386500000953674, 0.0, 3.0, 0.0, 6.0
-InChI%3D1S%2FC9H11NO2%2Fc1-2-12-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3, 2.11999988555908, 0.23843689262867, 2.0, 20.5042991638184, 1.74699997901917, 10.0, 6.0, 12.0, 23.0, , 5.0, -0.488299995660782, 0.0, 3.0, 1.0, 6.0
-InChI%3D1S%2FC8H10O2%2Fc9-6-7-10-8-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2, 2.11999988555908, 0.349517434835434, 2.0, 13.608099937439, 1.85399997234344, 7.0, 6.0, 10.0, 20.0, , 4.0, -0.591199994087219, 0.0, 3.0, 1.0, 6.0
-InChI%3D1S%2FC2H3Cl3%2Fc3-1-2%284%295%2Fh2H%2C1H2, 1.35000002384186, 3.8239803314209, 2.0, 25.7096996307373, 2.15799999237061, 0.0, 0.0, 4.0, 8.0, , 5.0, 1.95550000667572, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC8H12O%2Fc1-2-8%289%296-4-3-5-7-8%2Fh1%2C9H%2C3-7H2, 2.23000001907349, 0.110955610871315, 2.0, 30.2702007293701, 1.35000002384186, 2.0, 0.0, 9.0, 21.0, , 2.0, -0.333099991083145, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC10H15NO2%2Fc12-8-6-11%287-9-13%2910-4-2-1-3-5-10%2Fh1-5%2C12-13H%2C6-9H2, 2.23000001907349, 0.7413210272789, 2.0, 26.8759994506836, 1.18799996376038, 7.0, 6.0, 13.0, 28.0, , 7.0, -0.861000001430511, 0.0, 5.0, 2.0, 6.0
-InChI%3D1S%2FC10H14%2Fc1-3-9-6-5-7-10%284-2%298-9%2Fh5-8H%2C3-4H2%2C1-2H3, 2.55999994277954, 0.376750439405441, 2.0, 20.701000213623, 5.84600019454956, 6.0, 6.0, 10.0, 24.0, , 2.0, 0.61379998922348, 1.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC7H4Cl2O%2Fc8-6-2-1-5%284-10%297%289%293-6%2Fh1-4H, 1.89999997615814, 1.68013441562653, 0.0, 17.5251007080078, 2.63899993896484, 8.0, 6.0, 10.0, 14.0, , 2.0, 1.29620003700256, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC5H12ClN.ClH%2Fc1-7%282%295-3-4-6%3B%2Fh3-5H2%2C1-2H3%3B1H, 1.67999994754791, 0.486227303743362, 3.0, 32.2430000305176, 1.69799995422363, 0.0, 0.0, 6.0, 21.0, , 7.0, 0.697300016880035, 0.0, 3.0, 0.0, 0.0
-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, 1.89999997615814, 1.18135166168213, 2.0, 53.8424987792969, 2.77699995040894, 13.0, 6.0, 18.0, 35.0, , 9.0, 1.08689999580383, 0.0, 7.0, 0.0, 6.0
-InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-4-2-3-5-8%287%2911%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, 2.00999999046326, 0.28302401304245, 2.0, 16.4654006958008, 1.66600000858307, 10.0, 6.0, 11.0, 20.0, , 4.0, -0.532000005245209, 0.0, 1.0, 2.0, 6.0
-InChI%3D1S%2FC11H18N2O2S.Na%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%3B%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29%3B%2Fq%3B%2B1%2Fp-1, 2.00999999046326, , 5.0, , 2.61400008201599, 8.0, 0.0, 16.0, 34.0, , 5.0, , 0.0, 4.0, 1.0, 0.0
-InChI%3D1S%2FC9H10Cl2N2O%2Fc1-13%282%299%2814%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C1-2H3%2C%28H%2C12%2C14%29, 1.89999997615814, 2.62018966674805, 0.0, 33.6021003723145, 3.28600001335144, 10.0, 6.0, 14.0, 24.0, , 6.0, 1.61870002746582, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC7H14O%2Fc1-3-4-5-6-7%282%298%2Fh3-6H2%2C1-2H3, 2.11999988555908, 1.06461119651794, 7.0, 29.9531002044678, 2.14499998092651, 1.0, 0.0, 7.0, 22.0, , 8.0, -1.03180003166199, 0.0, 4.0, 0.0, 0.0
-InChI%3D1S%2FC10H12O%2Fc1-8%282%2910-5-3-9%287-11%294-6-10%2Fh3-8H%2C1-2H3, 2.45000004768372, 0.144780248403549, 0.0, 20.5617008209229, 4.48000001907349, 8.0, 6.0, 11.0, 23.0, , 2.0, 0.380499988794327, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC6H4FNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H, 1.67999994754791, 0.187575608491898, 0.0, 3.75830006599426, 2.64199995994568, 9.0, 6.0, 10.0, 14.0, , 2.0, 0.433099985122681, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC4Cl6%2Fc5-1%283%287%298%292%286%294%289%2910, 1.24000000953674, 13.2059564590454, 4.0, 50.6963996887207, 4.4520001411438, 4.0, 0.0, 9.0, 10.0, , 10.0, 3.6340000629425, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC8H19O2PS3%2Fc1-4-9-11%2812%2C10-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3, 1.67999994754791, 9.18393039703369, 2.0, 72.6323013305664, 4.16699981689453, 4.0, 0.0, 13.0, 33.0, , 14.0, 3.03049993515015, 0.0, 9.0, 0.0, 0.0
-InChI%3D1S%2FC10H18O%2Fc1-9%282%298-4-6-10%283%2C11-9%297-5-8%2Fh8H%2C4-7H2%2C1-3H3, 2.45000004768372, 1.71845877170563, 0.0, 44.032600402832, 2.59500002861023, 0.0, 0.0, 12.0, 29.0, , 0.0, 1.31089997291565, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H11NO%2Fc15-11-14%2812-7-3-1-4-8-12%2913-9-5-2-6-10-13%2Fh1-11H, 2.67000007629395, 0.495193690061569, 0.0, 8.79389953613281, 4.7020001411438, 15.0, 12.0, 16.0, 26.0, , 3.0, -0.703700006008148, 0.0, 3.0, 0.0, 12.0
-InChI%3D1S%2FC12H27N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-13H2%2C1H3, 2.67000007629395, 12.7234888076782, 12.0, 43.9490013122559, 5.33599996566772, 0.0, 0.0, 12.0, 40.0, , 13.0, -3.56699991226196, 1.0, 10.0, 1.0, 0.0
-InChI%3D1S%2FC20H30O2%2Fc1-13%282%2914-6-8-16-15%2812-14%297-9-17-19%2816%2C3%2910-5-11-20%2817%2C4%2918%2821%2922%2Fh7%2C12-13%2C16-17H%2C5-6%2C8-11H2%2C1-4H3%2C%28H%2C21%2C22%29%2Ft16-%2C17%2B%2C19%2B%2C20%2B%2Fm0%2Fs1, 3.44000005722046, 1.89695525169373, 3.0, 90.3136978149414, 6.11299991607666, 4.0, 0.0, 24.0, 52.0, , 3.0, 1.37730002403259, 1.0, 2.0, 1.0, 0.0
-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%3F%2C21%2B%2Fm1%2Fs1, 3.32999992370605, 0.0233172904700041, 0.0, 59.2591018676758, 2.07599997520447, 10.0, 12.0, 33.0, 51.0, , 2.0, 0.152700006961823, 0.0, 3.0, 0.0, 12.0
-InChI%3D1S%2FC8H11N%2Fc1-3-8-5-4-7%282%299-6-8%2Fh4-6H%2C3H2%2C1-2H3, 2.23000001907349, 0.5571129322052, 2.0, 16.0830001831055, 2.57800006866455, 6.0, 6.0, 9.0, 20.0, , 2.0, 0.746399998664856, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3, 1.46000003814697, 0.142657294869423, 0.0, 19.5755004882812, -1.38499999046326, 2.0, 0.0, 3.0, 12.0, , 4.0, -0.377700001001358, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC9H16O%2Fc1-5-9%284%2C10%297-6-8%282%293%2Fh1%2C8%2C10H%2C6-7H2%2C2-4H3, 2.33999991416931, 2.38177490234375, 7.0, 41.535701751709, 2.40899991989136, 2.0, 0.0, 9.0, 26.0, , 10.0, 1.54330003261566, 0.0, 3.0, 1.0, 0.0
-InChI%3D1S%2FC8H10%2Fc1-7-5-3-4-6-8%287%292%2Fh3-6H%2C1-2H3, 2.33999991416931, 1.64865601062775, 0.0, 11.0041999816895, 4.70800018310547, 6.0, 6.0, 8.0, 18.0, , 0.0, 1.28400003910065, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC12H10OS%2Fc13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H, 2.55999994277954, 0.271649450063705, 0.0, 9.16520023345947, 3.40799999237061, 14.0, 12.0, 15.0, 24.0, , 2.0, -0.521200001239777, 0.0, 2.0, 0.0, 12.0
-InChI%3D1S%2FC9H11NO%2Fc1-10%282%299-5-3-8%287-11%294-6-9%2Fh3-7H%2C1-2H3, 2.23000001907349, 0.000645159976556897, 0.0, 20.5853004455566, 2.0460000038147, 9.0, 6.0, 11.0, 22.0, , 2.0, 0.0253999996930361, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FHN3.Na%2Fc1-3-2%3B%2Fh1H%3B%2Fq-1%3B%2B1, 1.01999998092651, , 0.0, , -1.67900002002716, 3.0, 0.0, 2.0, 6.0, , 3.0, , 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC12H8O%2Fc1-3-7-11-9%285-1%2910-6-2-4-8-12%2810%2913-11%2Fh1-8H, 2.67000007629395, 0.0237468108534813, 0.0, 1.61909997463226, 4.27400016784668, 13.0, 12.0, 15.0, 21.0, , 0.0, -0.154100000858307, 0.0, 0.0, 0.0, 15.0
-InChI%3D1S%2FC4H12N.ClH%2Fc1-5%282%2C3%294%3B%2Fh1-4H3%3B1H%2Fq%2B1%3B%2Fp-1, 1.67999994754791, , 0.0, , 0.38400000333786, 0.0, 0.0, 4.0, 18.0, , 5.0, , 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H24N4%2Fc11-3-1-5-13-7-9-14%2810-8-13%296-2-4-12%2Fh1-12H2, 2.11999988555908, 3.8282835483551, 3.0, 57.7610015869141, -1.12999999523163, 0.0, 0.0, 14.0, 38.0, , 4.0, -1.95659995079041, 0.0, 6.0, 2.0, 0.0
-InChI%3D1S%2FC11H18N2O3.Na%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%3B%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29%3B%2Fq%3B%2B1%2Fp-1, 2.00999999046326, , 5.0, , 3.06900000572205, 8.0, 0.0, 16.0, 34.0, , 5.0, , 0.0, 4.0, 1.0, 0.0
-InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3H%2C%28H2%2C10%2C11%29, 1.78999996185303, 1.97964894771576, 0.0, 19.7075996398926, 2.63100004196167, 9.0, 6.0, 11.0, 16.0, , 3.0, 1.40699994564056, 0.0, 1.0, 2.0, 6.0
-InChI%3D1S%2FC6H2Cl2N2O4%2Fc7-3-1-4%288%296%2810%2813%2914%292-5%283%299%2811%2912%2Fh1-2H, 1.24000000953674, 1.94714117050171, 0.0, 17.002799987793, 2.76200008392334, 12.0, 6.0, 14.0, 16.0, , 3.0, 1.39540004730225, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC6H5NO%2Fc8-5-6-2-1-3-7-4-6%2Fh1-5H, 1.89999997615814, 0.0370177589356899, 0.0, 6.29390001296997, 1.05099999904633, 8.0, 6.0, 8.0, 13.0, , 2.0, -0.192399993538857, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC12H9NO3%2Fc14-13%2815%2910-6-8-12%289-7-10%2916-11-4-2-1-3-5-11%2Fh1-9H, 2.33999991416931, 0.0402804911136627, 0.0, 4.5048999786377, 4.78200006484985, 16.0, 12.0, 17.0, 25.0, , 3.0, -0.200699999928474, 0.0, 3.0, 0.0, 12.0
-InChI%3D1S%2FC12H10O%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10H, 2.67000007629395, 0.0237468108534813, 0.0, 1.61909997463226, 5.10599994659424, 13.0, 12.0, 14.0, 23.0, , 0.0, -0.154100000858307, 1.0, 2.0, 0.0, 12.0
-InChI%3D1S%2FC18H30O%2Fc1-16%282%2C3%2912-10-13%2817%284%2C5%296%2915%2819%2914%2811-12%2918%287%2C8%299%2Fh10-11%2C19H%2C1-9H3, 3.32999992370605, 17.709789276123, 0.0, 59.9449996948242, 7.6399998664856, 7.0, 6.0, 19.0, 49.0, , 3.0, 4.20830011367798, 1.0, 3.0, 1.0, 6.0
-InChI%3D1S%2FC6H14%2Fc1-3-5-6-4-2%2Fh3-6H2%2C1-2H3, 2.11999988555908, 1.10124039649963, 6.0, 23.4437999725342, 3.75399994850159, 0.0, 0.0, 5.0, 20.0, , 6.0, -1.04939997196198, 0.0, 3.0, 0.0, 0.0
-InChI%3D1S%2FC12H14O4%2Fc1-3-15-11%2813%299-7-5-6-8-10%289%2912%2814%2916-4-2%2Fh5-8H%2C3-4H2%2C1-2H3, 2.33999991416931, 0.273738235235214, 2.0, 32.5643997192383, 3.1800000667572, 12.0, 6.0, 16.0, 30.0, , 5.0, 0.52319997549057, 0.0, 6.0, 0.0, 6.0
-InChI%3D1S%2FC7H14N2O2S%2Fc1-7%282%2C12-4%295-9-11-6%2810%298-3%2Fh5H%2C1-4H3%2C%28H%2C8%2C10%29, 1.67999994754791, 2.21414399147034, 3.0, 50.0533981323242, 2.26799988746643, 6.0, 0.0, 11.0, 26.0, , 12.0, 1.48800003528595, 0.0, 4.0, 1.0, 0.0
-InChI%3D1S%2FC9H12O2%2Fc1-7-8%2810-2%295-4-6-9%287%2911-3%2Fh4-6H%2C1-3H3, 2.23000001907349, 0.28987455368042, 0.0, 20.1336994171143, 2.01999998092651, 8.0, 6.0, 11.0, 23.0, , 2.0, 0.538399994373322, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC4H8O2%2Fc1-3-6-4%282%295%2Fh3H2%2C1-2H3, 1.67999994754791, 0.0737122520804405, 2.0, 21.706600189209, 0.663999974727631, 3.0, 0.0, 5.0, 14.0, , 6.0, 0.271499991416931, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC6H7N%2Fc1-6-2-4-7-5-3-6%2Fh2-5H%2C1H3, 2.00999999046326, 0.412164002656937, 0.0, 5.50209999084473, 1.72300004959106, 6.0, 6.0, 7.0, 14.0, , 0.0, 0.642000019550323, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC6H5ClO%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4%2C8H, 1.89999997615814, 0.080655999481678, 0.0, 8.18019962310791, 1.92900002002716, 7.0, 6.0, 8.0, 13.0, , 0.0, 0.284000009298325, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC5H8O%2Fc1-4-5%282%2C3%296%2Fh1%2C6H%2C2-3H3, 1.89999997615814, 0.807661712169647, 4.0, 24.0967998504639, 0.405000001192093, 2.0, 0.0, 5.0, 14.0, , 6.0, 0.898699998855591, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H, 2.67000007629395, 0.176736161112785, 0.0, 3.29999995231628, 4.90999984741211, 13.0, 12.0, 14.0, 24.0, , 0.0, -0.420399993658066, 0.0, 2.0, 1.0, 12.0
-InChI%3D1S%2FC5H13N%2Fc1-5%282%2C3%294-6%2Fh4%2C6H2%2C1-3H3, 1.89999997615814, 0.668960392475128, 3.0, 28.0611000061035, 0.907000005245209, 0.0, 0.0, 5.0, 19.0, , 6.0, 0.817900002002716, 0.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC7H6O3.Na%2Fc8-6-4-2-1-3-5%286%297%289%2910%3B%2Fh1-4%2C8H%2C%28H%2C9%2C10%29%3B%2Fq%3B%2B1%2Fp-1, 1.78999996185303, , 0.0, , 1.71000003814697, 10.0, 6.0, 10.0, 16.0, , 3.0, , 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC9H14N.CH4O4S%2Fc1-10%282%2C3%299-7-5-4-6-8-9%3B1-5-6%282%2C3%294%2Fh4-8H%2C1-3H3%3B1H3%2C%28H%2C2%2C3%2C4%29%2Fq%2B1%3B%2Fp-1, 1.89999997615814, 4.93550634384155, 0.0, 32.7785987854004, 0.619000017642975, 7.0, 6.0, 15.0, 33.0, , 6.0, -2.22160005569458, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC8H6Cl2O%2Fc1-5%2811%297-3-2-6%289%294-8%287%2910%2Fh2-4H%2C1H3, 2.00999999046326, 1.52448403835297, 0.0, 22.0016002655029, 2.49000000953674, 8.0, 6.0, 11.0, 17.0, , 2.0, 1.23469996452332, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC9H12O%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5%2C10H%2C1-3H3, 2.33999991416931, 2.14827656745911, 0.0, 19.0708999633789, 2.59100008010864, 7.0, 6.0, 10.0, 22.0, , 0.0, 1.46570003032684, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC7H7NO%2Fc1-6%289%297-2-4-8-5-3-7%2Fh2-5H%2C1H3, 2.00999999046326, 0.0644652098417282, 2.0, 10.7704000473022, 0.90200001001358, 8.0, 6.0, 9.0, 16.0, , 3.0, -0.253899991512299, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC9H9Cl2NO%2Fc1-2-9%2813%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C2H2%2C1H3%2C%28H%2C12%2C13%29, 2.00999999046326, 2.22934770584106, 3.0, 30.1555004119873, 3.07399988174438, 9.0, 6.0, 13.0, 22.0, , 5.0, 1.49310004711151, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC10H21N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3, 2.45000004768372, 0.595675230026245, 2.0, 40.8348999023438, 2.73699998855591, 0.0, 0.0, 11.0, 32.0, , 5.0, -0.771799981594086, 0.0, 3.0, 0.0, 0.0
-InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H, 1.46000003814697, 10.635425567627, 0.0, 30.642599105835, 2.31299996376038, 7.0, 6.0, 12.0, 13.0, , 0.0, 3.26119995117188, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC10H15N%2Fc1-2-3-4-9-5-7-10%2811%298-6-9%2Fh5-8H%2C2-4%2C11H2%2C1H3, 2.45000004768372, 1.46942889690399, 4.0, 20.8094005584717, 4.00699996948242, 7.0, 6.0, 11.0, 26.0, , 4.0, -1.21220004558563, 0.0, 3.0, 1.0, 6.0
-InChI%3D1S%2FC6H15NO3%2Fc8-4-1-7%282-5-9%293-6-10%2Fh8-10H%2C1-6H2, 1.67999994754791, 1.68506360054016, 2.0, 38.8650016784668, -2.06399989128113, 0.0, 0.0, 9.0, 25.0, , 10.0, -1.29809999465942, 0.0, 6.0, 3.0, 0.0
-InChI%3D1S%2FC6H12N4%2Fc1-7-2-9-4-8%281%295-10%283-7%296-9%2Fh1-6H2, 1.67999994754791, 0.00736164022237062, 0.0, 36.9953994750977, -0.186000004410744, 0.0, 0.0, 12.0, 22.0, , 0.0, 0.0857999995350838, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H8ClNO%2Fc1-6-7%289%293-2-4-8%286%2910-5-11%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%29, 2.00999999046326, 1.52720165252686, 0.0, 20.9465007781982, 2.6010000705719, 9.0, 6.0, 11.0, 19.0, , 3.0, 1.23580002784729, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FCH4O%2Fc1-2%2Fh2H%2C1H3, 1.46000003814697, 0.128163993358612, 0.0, 8.2613000869751, -0.499000012874603, 0.0, 0.0, 1.0, 6.0, , 1.0, -0.358000010251999, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC7H12O%2Fc8-7-4-5-1-2-6%287%293-5%2Fh5-8H%2C1-4H2%2Ft5-%2C6%2B%2C7%3F%2Fm0%2Fs1, 2.11999988555908, 0.0862596929073334, 0.0, 29.7889003753662, 1.22500002384186, 0.0, 0.0, 9.0, 20.0, , 0.0, -0.293700009584427, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC6H14O3%2Fc1-2-8-5-6-9-4-3-7%2Fh7H%2C2-6H2%2C1H3, 1.78999996185303, 0.136456355452538, 2.0, 34.6421012878418, -0.456000000238419, 0.0, 0.0, 8.0, 23.0, , 9.0, -0.36939999461174, 0.0, 6.0, 1.0, 0.0
-InChI%3D1S%2FC10H12O4%2Fc1-12-8-5-10%2814-3%299%2813-2%294-7%288%296-11%2Fh4-6H%2C1-3H3, 2.11999988555908, 0.120964840054512, 0.0, 28.2413005828857, 1.11500000953674, 11.0, 6.0, 14.0, 26.0, , 2.0, -0.347799986600876, 0.0, 4.0, 0.0, 6.0
-InChI%3D1S%2FC11H25N%2Fc1-2-3-4-5-6-7-8-9-10-11-12%2Fh2-12H2%2C1H3, 2.55999994277954, 10.7518405914307, 11.0, 41.0373992919922, 4.76700019836426, 0.0, 0.0, 11.0, 37.0, , 12.0, -3.27900004386902, 0.0, 9.0, 1.0, 0.0
-InChI%3D1S%2FC3H2N2%2Fc4-2-1-3-5%2Fh1H2, 1.57000005245209, 0.0108576398342848, 3.0, 16.9463996887207, -0.657000005245209, 2.0, 0.0, 4.0, 7.0, , 5.0, 0.10419999808073, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H19O3PS2%2Fc1-4-10-12%289%2C11-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3, 1.67999994754791, 4.54286575317383, 2.0, 64.6414031982422, 2.21600008010864, 4.0, 0.0, 13.0, 33.0, , 14.0, 2.1314001083374, 0.0, 9.0, 0.0, 0.0
-InChI%3D1S%2FC20H14O4%2Fc21-19%2823-15-9-3-1-4-10-15%2917-13-7-8-14-18%2817%2920%2822%2924-16-11-5-2-6-12-16%2Fh1-14H, 3.22000002861023, 0.0331968404352665, 0.0, 12.583399772644, 7.42000007629395, 24.0, 18.0, 26.0, 38.0, , 3.0, -0.182199999690056, 1.0, 6.0, 0.0, 18.0
-InChI%3D1S%2FC7H15NO%2Fc1-6%287%282%299%295-8%283%294%2Fh6H%2C5H2%2C1-4H3, 2.00999999046326, 0.0730620920658112, 4.0, 39.128101348877, 0.160999998450279, 1.0, 0.0, 8.0, 24.0, , 9.0, 0.270300000905991, 0.0, 3.0, 0.0, 0.0
-InChI%3D1S%2FC8H8O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-4H%2C5-6H2, 2.23000001907349, 0.0127916103228927, 0.0, 10.7831001281738, 2.40000009536743, 7.0, 6.0, 10.0, 17.0, , 0.0, 0.113099999725819, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2, 1.46000003814697, 4.8651123046875, 3.0, 29.6690998077393, 2.37899994850159, 0.0, 0.0, 5.0, 11.0, , 6.0, 2.2056999206543, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC7H9N%2Fc1-8-7-5-3-2-4-6-7%2Fh2-6%2C8H%2C1H3, 2.11999988555908, 0.101187609136105, 0.0, 8.99670028686523, 2.36700010299683, 7.0, 6.0, 8.0, 17.0, , 2.0, -0.31810000538826, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC10H12N2O5%2Fc1-3-6%282%298-4-7%2811%2814%2915%295-9%2810%288%2913%2912%2816%2917%2Fh4-6%2C13H%2C3H2%2C1-2H3, 1.78999996185303, 0.431386232376099, 4.0, 25.6818008422852, 4.22300004959106, 13.0, 6.0, 17.0, 29.0, , 4.0, -0.656799972057343, 0.0, 4.0, 1.0, 6.0
-InChI%3D1S%2FC6H12O2%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H%2C7%2C8%29, 1.89999997615814, 1.03571331501007, 6.0, 26.4020004272461, 1.87999999523163, 3.0, 0.0, 7.0, 20.0, , 8.0, -1.01769995689392, 0.0, 4.0, 1.0, 0.0
-InChI%3D1S%2FC6H12O%2Fc1-3-4-6%282%295-7%2Fh5-6H%2C3-4H2%2C1-2H3, 2.00999999046326, 0.0147136896848679, 5.0, 28.9101009368896, 2.01799988746643, 1.0, 0.0, 6.0, 19.0, , 7.0, 0.121299996972084, 0.0, 3.0, 0.0, 0.0
-InChI%3D1S%2FC6H4N2O5%2Fc9-6-4%287%2810%2911%292-1-3-5%286%298%2812%2913%2Fh1-3%2C9H, 1.35000002384186, 0.306362241506577, 0.0, 8.33619976043701, 3.32299995422363, 13.0, 6.0, 13.0, 17.0, , 3.0, -0.55349999666214, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC8H7ClO2%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5H%2C1H3, 2.00999999046326, 0.570780277252197, 0.0, 17.6040000915527, 2.45000004768372, 9.0, 6.0, 11.0, 18.0, , 4.0, 0.755500018596649, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC6HBr5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H, 1.46000003814697, 15.8698654174805, 0.0, 45.5601005554199, 4.00299978256226, 7.0, 6.0, 12.0, 13.0, , 0.0, 3.98370003700256, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC9H14O3%2Fc1-7%282%299%2810%2912-6-8-4-3-5-11-8%2Fh8H%2C1%2C3-6H2%2C2H3, 2.11999988555908, 0.0933302491903305, 3.0, 40.9855003356934, 1.06700003147125, 5.0, 0.0, 12.0, 26.0, , 7.0, 0.305500000715256, 0.0, 4.0, 0.0, 0.0
-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, 3.22000002861023, 3.43472099304199, 2.0, 54.2809982299805, 7.31300020217896, 13.0, 12.0, 28.0, 46.0, , 4.0, 1.8532999753952, 1.0, 7.0, 0.0, 12.0
-InChI%3D1S%2FC7H14O%2Fc1-6%282%294-5-7%283%298%2Fh6H%2C4-5H2%2C1-3H3, 2.11999988555908, 0.37136834859848, 6.0, 34.0391998291016, 2.08400011062622, 1.0, 0.0, 7.0, 22.0, , 8.0, 0.609399974346161, 0.0, 3.0, 0.0, 0.0
-InChI%3D1S%2FC2H3Cl3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2, 1.24000000953674, 1.53636026382446, 2.0, 28.215799331665, 1.33700001239777, 0.0, 0.0, 5.0, 9.0, , 6.0, 1.23950004577637, 0.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC10H8O%2Fc11-10-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7%2C11H, 2.45000004768372, 0.211876094341278, 0.0, 2.56459999084473, 3.70900011062622, 11.0, 10.0, 12.0, 19.0, , 0.0, -0.460299998521805, 0.0, 0.0, 1.0, 11.0
-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, 2.45000004768372, 0.0553190410137177, 0.0, 15.2441997528076, 4.6729998588562, 14.0, 10.0, 16.0, 26.0, , 5.0, 0.235200002789497, 0.0, 2.0, 1.0, 11.0
-InChI%3D1S%2FC4H5N%2Fc1-2-4-5-3-1%2Fh1-5H, 1.78999996185303, 0.0, 0.0, 0.0, 0.934000015258789, 0.0, 0.0, 5.0, 9.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 5.0
-InChI%3D1S%2FC9H13N%2Fc1-10%282%298-9-6-4-3-5-7-9%2Fh3-7H%2C8H2%2C1-2H3, 2.33999991416931, 0.0526243597269058, 0.0, 19.0035991668701, 2.97099995613098, 6.0, 6.0, 10.0, 23.0, , 4.0, 0.229399994015694, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC14H23N%2Fc1-2-3-4-5-6-7-8-13-9-11-14%2815%2912-10-13%2Fh9-12H%2C2-8%2C15H2%2C1H3, 2.89000010490417, 5.58944177627563, 8.0, 32.4557991027832, 6.28299999237061, 7.0, 6.0, 15.0, 38.0, , 8.0, -2.36420011520386, 1.0, 7.0, 1.0, 6.0
-InChI%3D1S%2FC3H7ClO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2H2%2C1H3, 1.57000005245209, 0.0879122465848923, 3.0, 22.1889991760254, 0.726000010967255, 0.0, 0.0, 4.0, 12.0, , 5.0, 0.296499997377396, 0.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC7H8ClN%2Fc1-5-2-3-7%289%296%288%294-5%2Fh2-4H%2C9H2%2C1H3, 2.00999999046326, 0.405004948377609, 0.0, 15.3397998809814, 2.18499994277954, 7.0, 6.0, 9.0, 17.0, , 0.0, 0.636399984359741, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC7H10N2%2Fc1-9%282%297-5-3-4-6-8-7%2Fh3-6H%2C1-2H3, 2.00999999046326, 0.0474368408322334, 0.0, 14.2913999557495, 1.49899995326996, 7.0, 6.0, 9.0, 19.0, , 3.0, 0.217800006270409, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC6H14S2%2Fc1-3-7-5-6-8-4-2%2Fh3-6H2%2C1-2H3, 1.89999997615814, 3.64733600616455, 2.0, 44.9924011230469, 2.99799990653992, 0.0, 0.0, 7.0, 22.0, , 8.0, 1.90980005264282, 0.0, 5.0, 0.0, 0.0
-InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29, 1.46000003814697, 0.946145296096802, 0.0, 40.3573989868164, 1.63300001621246, 6.0, 0.0, 9.0, 20.0, , 10.0, 0.972699999809265, 0.0, 3.0, 1.0, 0.0
-InChI%3D1S%2FC16H22O4%2Fc1-3-5-11-19-15%2817%2913-7-9-14%2810-8-13%2916%2818%2920-12-6-4-2%2Fh7-10H%2C3-6%2C11-12H2%2C1-2H3, 2.77999997138977, 1.46023058891296, 4.0, 45.4515991210938, 4.61199998855591, 12.0, 6.0, 20.0, 42.0, , 7.0, -1.20840001106262, 0.0, 10.0, 0.0, 6.0
-InChI%3D1S%2FC7H7F%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C1H3, 2.11999988555908, 1.25821089744568, 0.0, 6.37459993362427, 3.07800006866455, 6.0, 6.0, 8.0, 15.0, , 0.0, 1.12170004844666, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC5H13N%2Fc1-2-3-4-5-6%2Fh2-6H2%2C1H3, 1.89999997615814, 2.40560102462769, 5.0, 23.5678005218506, 1.35300004482269, 0.0, 0.0, 5.0, 19.0, , 6.0, -1.55099999904633, 0.0, 3.0, 1.0, 0.0
-InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H, 2.00999999046326, 0.553982496261597, 0.0, 5.61560010910034, 3.1029999256134, 6.0, 6.0, 7.0, 12.0, , 0.0, 0.744300007820129, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC8H6ClNO3%2Fc1-5%2811%296-2-3-7%289%298%284-6%2910%2812%2913%2Fh2-4H%2C1H3, 1.78999996185303, 0.196958437561989, 2.0, 19.2717990875244, 2.28099989891052, 11.0, 6.0, 13.0, 19.0, , 3.0, 0.443800002336502, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC18H15O4P%2Fc19-23%2820-16-10-4-1-5-11-16%2C21-17-12-6-2-7-13-17%2922-18-14-8-3-9-15-18%2Fh1-15H, 2.89000010490417, 0.00974169000983238, 0.0, 11.0087003707886, 6.93900012969971, 23.0, 18.0, 25.0, 38.0, , 5.0, -0.0987000018358231, 1.0, 6.0, 0.0, 18.0
-InChI%3D1S%2FC7H4ClNS2%2Fc8-4-1-2-6-5%283-4%299-7%2810%2911-6%2Fh1-3H%2C%28H%2C9%2C10%29, 1.78999996185303, 3.40734672546387, 0.0, 22.100700378418, 2.62400007247925, 9.0, 9.0, 12.0, 15.0, , 0.0, 1.84590005874634, 0.0, 0.0, 1.0, 10.0
-InChI%3D1S%2FC3H5N%2Fc1-2-3-4%2Fh2H2%2C1H3, 1.67999994754791, 0.0145926401019096, 3.0, 16.6464996337891, 0.284000009298325, 1.0, 0.0, 3.0, 9.0, , 4.0, 0.120800003409386, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H18O%2Fc1-3-5-7-9%2810%298-6-4-2%2Fh3-8H2%2C1-2H3, 2.33999991416931, 1.54654097557068, 9.0, 37.8881988525391, 2.96700000762939, 1.0, 0.0, 9.0, 28.0, , 10.0, -1.24360001087189, 0.0, 6.0, 0.0, 0.0
-InChI%3D1S%2FC6H5N3O4%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2812%2913%2Fh1-3H%2C7H2, 1.35000002384186, 0.710817635059357, 0.0, 9.99370002746582, 2.39800000190735, 13.0, 6.0, 13.0, 18.0, , 3.0, -0.843100011348724, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC4H10O%2Fc1-4%282%293-5%2Fh4-5H%2C3H2%2C1-2H3, 1.78999996185303, 0.0154256401583552, 3.0, 21.5445995330811, 0.578999996185303, 0.0, 0.0, 4.0, 15.0, , 5.0, 0.124200001358986, 0.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-3-2-4-8%2811%295-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, 2.00999999046326, 0.28302401304245, 0.0, 16.4654006958008, 1.66600000858307, 10.0, 6.0, 11.0, 20.0, , 4.0, -0.532000005245209, 0.0, 1.0, 2.0, 6.0
-InChI%3D1S%2FC6H8O%2Fc1-5-3-4-6%282%297-5%2Fh3-4H%2C1-2H3, 2.00999999046326, 0.525480031967163, 0.0, 13.0840997695923, 2.01200008392334, 5.0, 5.0, 7.0, 15.0, , 0.0, 0.724900007247925, 0.0, 0.0, 0.0, 5.0
-InChI%3D1S%2FC11H14O4%2Fc1-7%2812%298-5-6-9%2813-2%2911%2815-4%2910%288%2914-3%2Fh5-6H%2C1-4H3, 2.23000001907349, 0.167526483535767, 0.0, 32.7178001403809, 0.966000020503998, 11.0, 6.0, 15.0, 29.0, , 2.0, -0.409299999475479, 0.0, 4.0, 0.0, 6.0
-InChI%3D1S%2FC6H10O3%2Fc1-3-6%288%299-4-5%282%297%2Fh3%2C5%2C7H%2C1%2C4H2%2C2H3, 1.78999996185303, 0.00383161008358002, 3.0, 32.937198638916, 0.284000009298325, 5.0, 0.0, 8.0, 19.0, , 9.0, 0.0619000010192394, 0.0, 4.0, 1.0, 0.0
-InChI%3D1S%2FC9H16ClNO2%2Fc10-6-7-13-9%2812%2911-8-4-2-1-3-5-8%2Fh8H%2C1-7H2%2C%28H%2C11%2C12%29, 2.00999999046326, 0.133809641003609, 2.0, 42.7302017211914, 2.95799994468689, 4.0, 0.0, 13.0, 29.0, , 7.0, -0.365799993276596, 0.0, 4.0, 1.0, 0.0
-InChI%3D1S%2FC8H16O%2Fc1-3-4-5-6-7-8%282%299%2Fh3-7H2%2C1-2H3, 2.23000001907349, 1.74187207221985, 8.0, 32.8647003173828, 2.71399998664856, 1.0, 0.0, 8.0, 25.0, , 9.0, -1.31980001926422, 0.0, 5.0, 0.0, 0.0
-InChI%3D1S%2FC8H17Br%2Fc1-2-3-4-5-6-7-8-9%2Fh2-8H2%2C1H3, 2.23000001907349, 0.602641701698303, 8.0, 36.6795997619629, 4.93900012969971, 0.0, 0.0, 8.0, 26.0, , 9.0, -0.776300013065338, 0.0, 6.0, 0.0, 0.0
-InChI%3D1S%2FC13H10O2%2Fc14-10-11-6-8-13%289-7-11%2915-12-4-2-1-3-5-12%2Fh1-10H, 2.67000007629395, 0.120062246918678, 0.0, 7.91300010681152, 4.5460000038147, 15.0, 12.0, 16.0, 25.0, , 2.0, -0.346500009298325, 0.0, 3.0, 0.0, 12.0
-InChI%3D1S%2FC4H11NO2%2Fc6-3-1-5-2-4-7%2Fh5-7H%2C1-4H2, 1.57000005245209, 1.67598915100098, 2.0, 27.2779998779297, -1.59399998188019, 0.0, 0.0, 6.0, 18.0, , 7.0, -1.29460000991821, 0.0, 4.0, 3.0, 0.0
-InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H, 2.67000007629395, 0.211876094341278, 0.0, 2.56459999084473, 5.06300020217896, 13.0, 12.0, 14.0, 23.0, , 0.0, -0.460299998521805, 1.0, 1.0, 1.0, 12.0
-InChI%3D1S%2FC10H11NO4%2Fc1-14-9%2812%296-3-4-7%288%2811%295-6%2910%2813%2915-2%2Fh3-5H%2C11H2%2C1-2H3, 2.00999999046326, 0.529256224632263, 0.0, 28.1989002227783, 1.31099998950958, 13.0, 6.0, 15.0, 26.0, , 4.0, -0.727500021457672, 0.0, 4.0, 1.0, 6.0
-InChI%3D1S%2FC9H13N%2Fc1-2-10-8-9-6-4-3-5-7-9%2Fh3-7%2C10H%2C2%2C8H2%2C1H3, 2.33999991416931, 0.00314720999449492, 2.0, 18.0027008056641, 3.15499997138977, 6.0, 6.0, 10.0, 23.0, , 4.0, -0.0560999996960163, 0.0, 3.0, 1.0, 6.0
-InChI%3D1S%2FC3H6Cl2%2Fc4-2-1-3-5%2Fh1-3H2, 1.57000005245209, 1.4976863861084, 3.0, 23.5671997070312, 2.09800004959106, 0.0, 0.0, 4.0, 11.0, , 5.0, 1.22379994392395, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC11H17NO%2Fc1-3-12%287-8-13%2911-6-4-5-10%282%299-11%2Fh4-6%2C9%2C13H%2C3%2C7-8H2%2C1-2H3, 2.45000004768372, 0.325812637805939, 2.0, 30.3796005249023, 2.64299988746643, 7.0, 6.0, 13.0, 30.0, , 6.0, 0.570800006389618, 0.0, 4.0, 1.0, 6.0
-InChI%3D1S%2FC6H12O2%2Fc1-5%287%298-6%282%2C3%294%2Fh1-4H3, 1.89999997615814, 0.907065749168396, 2.0, 31.2166004180908, 1.54100000858307, 3.0, 0.0, 7.0, 20.0, , 8.0, 0.952400028705597, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC11H22O%2Fc1-3-4-5-6-7-8-9-10-11%282%2912%2Fh3-10H2%2C1-2H3, 2.55999994277954, 4.76898241043091, 11.0, 41.5994987487793, 4.4210000038147, 1.0, 0.0, 11.0, 34.0, , 12.0, -2.18379998207092, 0.0, 8.0, 0.0, 0.0
-InChI%3D1S%2FC6H4Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H, 1.89999997615814, 2.21592998504639, 0.0, 11.2312002182007, 2.98799991607666, 6.0, 6.0, 8.0, 12.0, , 0.0, 1.48860001564026, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC15H10O2%2Fc16-13-10-15%2811-6-2-1-3-7-11%2917-14-9-5-4-8-12%2813%2914%2Fh1-10H, 2.89000010490417, 0.18792225420475, 0.0, 14.9121999740601, 4.63000011444092, 9.0, 12.0, 19.0, 29.0, , 0.0, -0.433499991893768, 0.0, 1.0, 0.0, 12.0
-InChI%3D1S%2FC9H9N%2Fc1-7-6-10-9-5-3-2-4-8%287%299%2Fh2-6%2C10H%2C1H3, 2.33999991416931, 0.412164002656937, 0.0, 5.50209999084473, 2.67400002479553, 7.0, 6.0, 11.0, 18.0, , 0.0, 0.642000019550323, 0.0, 0.0, 1.0, 10.0
-InChI%3D1S%2FC12H10S2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H, 2.55999994277954, 1.39523339271545, 0.0, 15.5869998931885, 5.69199991226196, 6.0, 12.0, 15.0, 24.0, , 2.0, 1.18120002746582, 1.0, 3.0, 0.0, 12.0
-InChI%3D1S%2FC6H4N2O5%2Fc9-6-2-1-4%287%2810%2911%293-5%286%298%2812%2913%2Fh1-3%2C9H, 1.35000002384186, 0.306362241506577, 0.0, 8.33619976043701, 2.46499991416931, 13.0, 6.0, 13.0, 17.0, , 3.0, -0.55349999666214, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC5H10O%2Fc1-3-5%286%294-2%2Fh3-4H2%2C1-2H3, 1.89999997615814, 0.00839055981487036, 5.0, 26.2418003082275, 0.690999984741211, 1.0, 0.0, 5.0, 16.0, , 6.0, -0.0916000008583069, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC6H4Cl2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H, 1.78999996185303, 1.05740094184875, 0.0, 13.7958002090454, 2.02500009536743, 7.0, 6.0, 9.0, 13.0, , 0.0, 1.02830004692078, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC10H10O2%2Fc1-8%2811%297-10%2812%299-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3, 2.33999991416931, 0.233192414045334, 4.0, 20.665599822998, 2.97699999809265, 8.0, 6.0, 12.0, 22.0, , 6.0, -0.482899993658066, 0.0, 3.0, 0.0, 6.0
-InChI%3D1S%2FC6H14O%2Fc1-2-3-4-5-6-7%2Fh7H%2C2-6H2%2C1H3, 2.00999999046326, 2.40064024925232, 6.0, 24.8218994140625, 1.9889999628067, 0.0, 0.0, 6.0, 21.0, , 7.0, -1.54939997196198, 0.0, 4.0, 1.0, 0.0
-InChI%3D1S%2FC7H6N2O5%2Fc1-4-2-5%288%2811%2912%293-6%287%284%2910%299%2813%2914%2Fh2-3%2C10H%2C1H3, 1.46000003814697, 0.0078322496265173, 0.0, 13.8382997512817, 2.57699990272522, 13.0, 6.0, 14.0, 20.0, , 3.0, 0.0885000005364418, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC4H10O3%2Fc5-1-3-7-4-2-6%2Fh5-6H%2C1-4H2, 1.57000005245209, 1.05740094184875, 2.0, 25.5970993041992, -1.39800000190735, 0.0, 0.0, 6.0, 17.0, , 7.0, -1.02830004692078, 0.0, 4.0, 2.0, 0.0
-InChI%3D1S%2FC4H11N%2Fc1-3-4%282%295%2Fh4H%2C3%2C5H2%2C1-2H3, 1.78999996185303, 0.971604466438293, 4.0, 22.3290004730225, 0.675000011920929, 0.0, 0.0, 4.0, 16.0, , 5.0, -0.985700011253357, 0.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC11H18N2O3%2Fc1-4-11%286-5-7%282%293%298%2814%2912-10%2816%2913-9%2811%2915%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 2.11999988555908, 0.0541492886841297, 4.0, 58.051399230957, 3.06900000572205, 8.0, 0.0, 16.0, 34.0, , 5.0, -0.232700005173683, 0.0, 4.0, 2.0, 0.0
-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, 3.54999995231628, 5.20934963226318, 3.0, 58.5063018798828, 7.11299991607666, 6.0, 6.0, 27.0, 51.0, , 4.0, 2.28239989280701, 1.0, 7.0, 0.0, 11.0
-InChI%3D1S%2FC6H14S2%2Fc1-5%282%297-8-6%283%294%2Fh5-6H%2C1-4H3, 1.89999997615814, 1.65276730060577, 3.0, 45.9776000976562, 2.87599992752075, 0.0, 0.0, 7.0, 22.0, , 8.0, 1.28559994697571, 0.0, 3.0, 0.0, 0.0
-InChI%3D1S%2FC9H16O2%2Fc1-3-5-6-7-8-11-9%2810%294-2%2Fh4H%2C2-3%2C5-8H2%2C1H3, 2.23000001907349, 0.335704356431961, 6.0, 38.6211013793945, 3.02099990844727, 5.0, 0.0, 10.0, 27.0, , 11.0, -0.57940000295639, 0.0, 7.0, 0.0, 0.0
-InChI%3D1S%2FC7H3Br2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H, 1.78999996185303, 1.82790398597717, 0.0, 25.9613990783691, 2.04900002479553, 9.0, 6.0, 11.0, 14.0, , 2.0, 1.35199999809265, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC5H12N2%2Fc1-7-4-2-6-3-5-7%2Fh6H%2C2-5H2%2C1H3, 1.78999996185303, 0.0668222531676292, 0.0, 30.7434997558594, -0.532999992370605, 0.0, 0.0, 7.0, 19.0, , 0.0, -0.258500009775162, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3, 2.23000001907349, 0.0474368408322334, 0.0, 14.2913999557495, 2.60599994659424, 7.0, 6.0, 9.0, 20.0, , 3.0, 0.217800006270409, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, 1.67999994754791, 3.14211082458496, 0.0, 19.4113998413086, 2.12100005149841, 7.0, 6.0, 10.0, 13.0, , 0.0, 1.77260005474091, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC5H5BrN2%2Fc6-4-1-2-5%287%298-3-4%2Fh1-3H%2C%28H2%2C7%2C8%29, 1.67999994754791, 0.0144480401650071, 0.0, 32.8685989379883, 1.33299994468689, 3.0, 0.0, 8.0, 17.0, , 0.0, 0.120200000703335, 0.0, 0.0, 2.0, 0.0
-InChI%3D1S%2FC7H8FN%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C9H%2C1H3, 2.00999999046326, 0.0261145606637001, 0.0, 9.86919975280762, 2.11500000953674, 7.0, 6.0, 9.0, 17.0, , 2.0, 0.16159999370575, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC11H16ClO2PS3%2Fc1-3-13-15%2816%2C14-4-2%2918-9-17-11-7-5-10%2812%296-8-11%2Fh5-8H%2C3-4%2C9H2%2C1-2H3, 1.89999997615814, 11.5899391174316, 2.0, 63.0668983459473, 5.39900016784668, 6.0, 6.0, 18.0, 34.0, , 11.0, 3.40440011024475, 1.0, 8.0, 0.0, 6.0
-InChI%3D1S%2FC9H21N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh4-9H2%2C1-3H3, 2.33999991416931, 0.438376396894455, 3.0, 43.4654998779297, 2.40599989891052, 0.0, 0.0, 9.0, 31.0, , 10.0, -0.66210001707077, 0.0, 6.0, 0.0, 0.0
-InChI%3D1S%2FC5H8O2%2Fc1-4%286%293-5%282%297%2Fh3H2%2C1-2H3, 1.78999996185303, 0.223728999495506, 5.0, 26.0900001525879, 0.231000006198883, 1.0, 0.0, 6.0, 15.0, , 7.0, -0.47299998998642, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3, 2.45000004768372, 0.328214406967163, 3.0, 14.2678003311157, 5.46199989318848, 6.0, 6.0, 9.0, 21.0, , 3.0, 0.572899997234344, 1.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh5H%2C4H2%2C1H3, 1.78999996185303, 0.614185690879822, 4.0, 21.3423004150391, 0.368000000715256, 2.0, 0.0, 4.0, 11.0, , 5.0, 0.783699989318848, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC15H24O%2Fc1-2-3-4-5-6-7-8-9-14-10-12-15%2816%2913-11-14%2Fh10-13%2C16H%2C2-9H2%2C1H3, 3.0, 5.58187866210938, 9.0, 33.7098999023438, 6.91900014877319, 7.0, 6.0, 16.0, 40.0, , 9.0, -2.36260008811951, 1.0, 8.0, 1.0, 6.0
-InChI%3D1S%2FC8H18S%2Fc1-3-5-7-9-8-6-4-2%2Fh3-8H2%2C1-2H3, 2.23000001907349, 0.189747363328934, 4.0, 40.6617012023926, 3.88100004196167, 0.0, 0.0, 8.0, 27.0, , 9.0, -0.435600012540817, 0.0, 6.0, 0.0, 0.0
-InChI%3D1S%2FC4H6O%2Fc1-3-4%282%295%2Fh1%2C4-5H%2C2H3, 1.78999996185303, 0.0933302491903305, 4.0, 19.6254005432129, 0.294999986886978, 2.0, 0.0, 4.0, 11.0, , 5.0, 0.305500000715256, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC11H15NO%2Fc1-11%282%2C3%299-6-4-8%285-7-9%2910%2812%2913%2Fh4-7H%2C1-3H3%2C%28H2%2C12%2C13%29, 2.45000004768372, 0.848977982997894, 0.0, 26.5683002471924, 3.94400000572205, 9.0, 6.0, 13.0, 28.0, , 3.0, 0.921400010585785, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC6H15N%2Fc1-2-3-4-5-6-7%2Fh2-7H2%2C1H3, 2.00999999046326, 3.38192105293274, 6.0, 26.4794006347656, 1.92200005054474, 0.0, 0.0, 6.0, 22.0, , 7.0, -1.83899998664856, 0.0, 4.0, 1.0, 0.0
-InChI%3D1S%2FC10H6N2O5.Na.2H2O%2Fc13-10-7-4-2-1-3-6%287%298%2811%2814%2915%295-9%2810%2912%2816%2917%3B%3B%3B%2Fh1-5%2C13H%3B%3B2%2A1H2%2Fq%3B%2B1%3B%3B%2Fp-1, 1.46000003814697, , 0.0, , , 17.0, 10.0, 18.0, 29.0, , 3.0, , , 2.0, 2.0, 11.0
-InChI%3D1S%2FC5H8N2O2%2Fc1-5%282%293%288%296-4%289%297-5%2Fh1-2H3%2C%28H2%2C6%2C7%2C8%2C9%29, 1.57000005245209, 0.0918696075677872, 0.0, 30.521900177002, -0.11599999666214, 6.0, 0.0, 9.0, 17.0, , 0.0, 0.303099989891052, 0.0, 0.0, 2.0, 0.0
-InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29, 1.46000003814697, 0.675519585609436, 2.0, 19.8181991577148, 0.920000016689301, 4.0, 0.0, 5.0, 13.0, , 6.0, 0.821900010108948, 0.0, 2.0, 2.0, 0.0
-InChI%3D1S%2FC5H4ClNO%2Fc6-4-2-1-3-5%288%297-4%2Fh1-3H%2C%28H%2C7%2C8%29, 1.67999994754791, 0.00538755999878049, 0.0, 8.66679954528809, 1.41799998283386, 7.0, 6.0, 8.0, 12.0, , 0.0, 0.0733999982476234, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC7H10O2%2Fc1-4-5-9-7%288%296%282%293%2Fh4H%2C1-2%2C5H2%2C3H3, 2.00999999046326, 3.17516756057739, 3.0, 35.5802993774414, 1.3289999961853, 5.0, 0.0, 8.0, 19.0, , 9.0, 1.78190004825592, 0.0, 4.0, 0.0, 0.0
-InChI%3D1S%2FC13H10O3%2Fc14-12-9-5-4-8-11%2812%2913%2815%2916-10-6-2-1-3-7-10%2Fh1-9%2C14H, 2.55999994277954, 0.30404195189476, 0.0, 8.85630035400391, 4.57399988174438, 16.0, 12.0, 17.0, 26.0, , 3.0, -0.551400005817413, 1.0, 3.0, 1.0, 12.0
-InChI%3D1S%2FC2H3Cl2NO%2Fc3-1%284%292%285%296%2Fh1H%2C%28H2%2C5%2C6%29, 1.24000000953674, 1.26202750205994, 2.0, 23.8766002655029, 0.976999998092651, 3.0, 0.0, 5.0, 9.0, , 6.0, 1.12339997291565, 0.0, 1.0, 2.0, 0.0
-InChI%3D1S%2FC7H9N%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6%2C8H2, 2.11999988555908, 0.545086860656738, 0.0, 8.93430042266846, 2.34200000762939, 6.0, 6.0, 8.0, 17.0, , 2.0, -0.738300025463104, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3, 2.00999999046326, 0.262246400117874, 0.0, 9.88039970397949, 1.38900005817413, 8.0, 6.0, 9.0, 17.0, , 2.0, -0.512099981307983, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC12H23N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-11H2%2C1H3, 2.67000007629395, 6.10682964324951, 12.0, 42.8508987426758, 5.40500020980835, 1.0, 0.0, 12.0, 36.0, , 13.0, -2.47119998931885, 1.0, 9.0, 0.0, 0.0
-InChI%3D1S%2FC14H26O4%2Fc1-3-17-13%2815%2911-9-7-5-6-8-10-12-14%2816%2918-4-2%2Fh3-12H2%2C1-2H3, 2.55999994277954, 1.28867900371552, 10.0, 59.1324005126953, 3.76999998092651, 3.0, 0.0, 17.0, 44.0, , 18.0, -1.13520002365112, 1.0, 13.0, 0.0, 0.0
-InChI%3D1S%2FC15H26O%2Fc1-6-15%285%2C16%2912-8-11-14%284%2910-7-9-13%282%293%2Fh6%2C9%2C11%2C16H%2C1%2C7-8%2C10%2C12H2%2C2-5H3%2Fb14-11%2B, 3.0, 13.7003622055054, 12.0, 73.6714019775391, 4.28999996185303, 2.0, 0.0, 15.0, 42.0, , 16.0, 3.7014000415802, 0.0, 7.0, 1.0, 0.0
-InChI%3D1S%2FC9H17N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-8H2%2C1H3, 2.33999991416931, 2.58309173583984, 9.0, 34.1161003112793, 3.69799995422363, 1.0, 0.0, 9.0, 27.0, , 10.0, -1.60720002651215, 0.0, 6.0, 0.0, 0.0
-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%2B%2C7-3%2B, 2.89000010490417, 0.901360332965851, 5.0, 53.6348991394043, 3.16700005531311, 15.0, 6.0, 23.0, 40.0, , 6.0, -0.949400007724762, 0.0, 4.0, 0.0, 6.0
-InChI%3D1S%2FC7H16O%2Fc1-5%282%297%288%296%283%294%2Fh5-8H%2C1-4H3, 2.11999988555908, 0.403352022171021, 5.0, 34.4981002807617, 1.69400000572205, 0.0, 0.0, 7.0, 24.0, , 8.0, 0.63510000705719, 0.0, 2.0, 1.0, 0.0
-InChI%3D1S%2FC12H12N2%2Fc1%2811-3-7-13-8-4-11%292-12-5-9-14-10-6-12%2Fh3-10H%2C1-2H2, 2.55999994277954, 0.0155750401318073, 2.0, 9.73079967498779, 3.10599994659424, 6.0, 12.0, 15.0, 26.0, , 2.0, 0.124799996614456, 0.0, 3.0, 0.0, 12.0
-InChI%3D1S%2FC6H10Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh5-6H%2C1-4H2%2Ft5-%2C6%3F%2Fm1%2Fs1, 1.89999997615814, 0.055601641535759, 0.0, 29.6734008789062, 2.71000003814697, 0.0, 0.0, 8.0, 18.0, , 0.0, 0.235799998044968, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12%2Fc1-2-4-6-5-3-1%2Fh1-6H2, 2.11999988555908, 2.98598408699036, 0.0, 17.4696006774902, 3.41400003433228, 0.0, 0.0, 6.0, 18.0, , 0.0, -1.72800004482269, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H18S%2Fc1-7%282%2C3%299-8%284%2C5%296%2Fh1-6H3, 2.23000001907349, 7.0639009475708, 3.0, 46.7944984436035, 3.41100001335144, 0.0, 0.0, 8.0, 27.0, , 9.0, 2.65779995918274, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3%2Ft8-%2C9%2B%2C10-%2Fm1%2Fs1, 2.45000004768372, 0.430729687213898, 0.0, 44.9238014221191, 3.21099996566772, 0.0, 0.0, 11.0, 31.0, , 2.0, 0.656300008296967, 0.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC8H8O3%2Fc1-11-8-4-6%285-9%292-3-7%288%2910%2Fh2-5%2C10H%2C1H3, 2.00999999046326, 0.496320247650146, 0.0, 16.1742992401123, 1.03999996185303, 10.0, 6.0, 11.0, 19.0, , 2.0, -0.704500019550323, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC6H12O3%2Fc1-6%282%298-4-5%283-7%299-6%2Fh5%2C7H%2C3-4H2%2C1-2H3, 1.78999996185303, 0.453063607215881, 0.0, 32.7230987548828, -0.0379999987781048, 0.0, 0.0, 9.0, 21.0, , 2.0, -0.673099994659424, 0.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC5H12N2%2Fc1-5-4-6-2-3-7-5%2Fh5-7H%2C2-4H2%2C1H3, 1.78999996185303, 0.648186028003693, 0.0, 30.0331993103027, -0.312000006437302, 0.0, 0.0, 7.0, 19.0, , 0.0, -0.80510002374649, 0.0, 0.0, 2.0, 0.0
-InChI%3D1S%2FC13H20O%2Fc1-10-6-5-9-13%283%2C4%2912%2810%298-7-11%282%2914%2Fh7-8H%2C5-6%2C9H2%2C1-4H3, 2.77999997138977, 2.48629832267761, 4.0, 60.6614990234375, 3.65000009536743, 6.0, 0.0, 14.0, 34.0, , 5.0, 1.57679998874664, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298, 1.01999998092651, 11.4000768661499, 2.0, 41.8779983520508, 3.88199996948242, 0.0, 0.0, 7.0, 8.0, , 8.0, 3.37639999389648, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC16H27N%2Fc1-2-3-4-5-6-7-8-9-10-15-11-13-16%2817%2914-12-15%2Fh11-14H%2C2-10%2C17H2%2C1H3, 3.10999989509583, 8.64477634429932, 10.0, 38.2789993286133, 7.4210000038147, 7.0, 6.0, 17.0, 44.0, , 10.0, -2.94020009040833, 1.0, 9.0, 1.0, 6.0
-InChI%3D1S%2FC6H3Cl3%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H, 1.78999996185303, 4.98584222793579, 0.0, 16.8467998504639, 3.08400011062622, 6.0, 6.0, 9.0, 12.0, , 0.0, 2.2328999042511, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC15H12Cl4O2%2Fc1-15%282%2C7-3-9%2816%2913%2820%2910%2817%294-7%298-5-11%2818%2914%2821%2912%2819%296-8%2Fh3-6%2C20-21H%2C1-2H3, 2.45000004768372, 8.82565307617188, 0.0, 41.2163009643555, 4.90100002288818, 7.0, 12.0, 22.0, 33.0, , 2.0, 2.97079992294312, 0.0, 2.0, 2.0, 12.0
-InChI%3D1S%2FC7H5F4N%2Fc8-6-2-1-4%2812%293-5%286%297%289%2C10%2911%2Fh1-3H%2C12H2, 1.67999994754791, 0.685418426990509, 0.0, 11.5291996002197, 2.83899998664856, 7.0, 6.0, 12.0, 17.0, , 3.0, 0.827899992465973, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC7H5F4N%2Fc8-4-1-2-6%2812%295%283-4%297%289%2C10%2911%2Fh1-3H%2C12H2, 1.67999994754791, 0.685418426990509, 0.0, 11.5291996002197, 2.83899998664856, 7.0, 6.0, 12.0, 17.0, , 3.0, 0.827899992465973, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC7H4F3NO3%2Fc8-7%289%2C10%295-3-4%2812%291-2-6%285%2911%2813%2914%2Fh1-3%2C12H, 1.46000003814697, 0.349517434835434, 0.0, 11.8850002288818, 2.83400011062622, 10.0, 6.0, 14.0, 18.0, , 3.0, 0.591199994087219, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H, 1.89999997615814, 0.0, 0.0, 0.0, 1.39999997615814, 6.0, 6.0, 6.0, 11.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC6H5NO3%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4%2C8H, 1.67999994754791, 0.256947606801987, 0.0, 5.45039987564087, 2.57800006866455, 10.0, 6.0, 10.0, 15.0, , 3.0, -0.506900012493134, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC10H22S2%2Fc1-3-7-11-9-5-6-10-12-8-4-2%2Fh3-10H2%2C1-2H3, 2.33999991416931, 0.0317552387714386, 4.0, 57.8796005249023, 4.42999982833862, 0.0, 0.0, 11.0, 34.0, , 12.0, 0.178200006484985, 0.0, 9.0, 0.0, 0.0
-InChI%3D1S%2FC6H13NO2%2Fc8-4-1-7-2-5-9-6-3-7%2Fh8H%2C1-6H2, 1.78999996185303, 0.282598555088043, 2.0, 35.3549003601074, -1.0460000038147, 0.0, 0.0, 9.0, 22.0, , 3.0, -0.531599998474121, 0.0, 2.0, 1.0, 0.0
-InChI%3D1S%2FC5H8N4%2Fc1-3-4%282%298-9-5%286%297-3%2Fh1-2H3%2C%28H2%2C6%2C7%2C9%29, 1.57000005245209, 0.78872162103653, 0.0, 33.0928993225098, 1.12999999523163, 5.0, 0.0, 9.0, 21.0, , 0.0, -0.888100028038025, 0.0, 0.0, 4.0, 0.0
-InChI%3D1S%2FC7H8N2O%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H2%2C9%2C10%29, 1.89999997615814, 0.691392242908478, 0.0, 12.6984996795654, 2.04900002479553, 10.0, 6.0, 10.0, 18.0, , 3.0, -0.831499993801117, 0.0, 1.0, 3.0, 6.0
-InChI%3D1S%2FC12H10O2%2Fc13-10-6-8-12%289-7-10%2914-11-4-2-1-3-5-11%2Fh1-9%2C13H, 2.55999994277954, 0.377487361431122, 0.0, 4.18370008468628, 3.93199992179871, 14.0, 12.0, 15.0, 24.0, , 0.0, -0.614400029182434, 0.0, 2.0, 1.0, 12.0
-InChI%3D1S%2FC7H8%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3, 2.23000001907349, 0.412164002656937, 0.0, 5.50209999084473, 4.38500022888184, 6.0, 6.0, 7.0, 15.0, , 0.0, 0.642000019550323, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%297%282%295-6%2Fh3-5%2C9H%2C1-2H3, 2.23000001907349, 0.678481698036194, 0.0, 13.5687999725342, 2.47900009155273, 7.0, 6.0, 9.0, 19.0, , 0.0, 0.82370001077652, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC14H20O3%2Fc1-3-4-5-6-9-17-13-8-7-12%2811-15%2910-14%2813%2916-2%2Fh7-8%2C10-11H%2C3-6%2C9H2%2C1-2H3, 2.67000007629395, 2.21235871315002, 6.0, 37.4860992431641, 4.04699993133545, 10.0, 6.0, 17.0, 37.0, , 7.0, -1.48740005493164, 0.0, 8.0, 0.0, 6.0
-InChI%3D1S%2FC8H7N%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-5H%2C1H3, 2.23000001907349, 0.457922875881195, 0.0, 11.7006998062134, 3.09999990463257, 8.0, 6.0, 9.0, 16.0, , 2.0, 0.676699995994568, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC16H22O4%2Fc1-3-5-10-19-15%2817%2913-8-7-9-14%2812-13%2916%2818%2920-11-6-4-2%2Fh7-9%2C12H%2C3-6%2C10-11H2%2C1-2H3, 2.77999997138977, 1.46023058891296, 4.0, 45.4515991210938, 4.82299995422363, 12.0, 6.0, 20.0, 42.0, , 7.0, -1.20840001106262, 0.0, 10.0, 0.0, 6.0
-InChI%3D1S%2FC6H12O%2Fc7-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2, 2.00999999046326, 3.80523037910461, 0.0, 20.5205001831055, 1.3289999961853, 0.0, 0.0, 7.0, 19.0, , 0.0, -1.95070004463196, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC6H12O3%2Fc1-3-8-4-5-9-6%282%297%2Fh3-5H2%2C1-2H3, 1.78999996185303, 0.0197683591395617, 2.0, 32.7500991821289, 0.474000006914139, 3.0, 0.0, 8.0, 21.0, , 9.0, 0.140599995851517, 0.0, 5.0, 0.0, 0.0
-InChI%3D1S%2FC2H7NO%2Fc3-1-2-4%2Fh4H%2C1-3H2, 1.46000003814697, 1.40896904468536, 2.0, 16.2110996246338, -1.27499997615814, 0.0, 0.0, 3.0, 11.0, , 4.0, -1.18700003623962, 0.0, 1.0, 2.0, 0.0
-InChI%3D1S%2FC3H9N%2Fc1-2-3-4%2Fh2-4H2%2C1H3, 1.67999994754791, 0.950625002384186, 3.0, 17.7446002960205, 0.215000003576279, 0.0, 0.0, 3.0, 13.0, , 4.0, -0.975000023841858, 0.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC8H9NO2%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3%2C%28H2%2C9%2C10%29, 2.00999999046326, 0.0177955608814955, 0.0, 15.792200088501, 2.20600008964539, 10.0, 6.0, 11.0, 20.0, , 2.0, -0.133399993181229, 0.0, 2.0, 2.0, 6.0
-InChI%3D1S%2FC5H10O%2Fc1-5%282%293-4-6%2Fh4-5H%2C3H2%2C1-2H3, 1.89999997615814, 0.172474086284637, 4.0, 25.1109008789062, 1.66400003433228, 2.0, 0.0, 5.0, 16.0, , 6.0, 0.415300011634827, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC8H6Cl2O2%2Fc1-12-8%2811%296-4-5%289%292-3-7%286%2910%2Fh2-4H%2C1H3, 1.89999997615814, 2.24940013885498, 0.0, 23.2196006774902, 2.5460000038147, 9.0, 6.0, 12.0, 18.0, , 4.0, 1.49979996681213, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3, 1.78999996185303, 0.328672885894775, 3.0, 22.0650997161865, 0.800999999046326, 0.0, 0.0, 4.0, 15.0, , 5.0, 0.573300004005432, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC7H6O2.Na%2Fc8-7%289%296-4-2-1-3-5-6%3B%2Fh1-5H%2C%28H%2C8%2C9%29%3B%2Fq%3B%2B1%2Fp-1, 1.89999997615814, , 0.0, , 2.18499994277954, 9.0, 6.0, 9.0, 15.0, , 3.0, , 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC12H12N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29, 2.23000001907349, 1.26247692108154, 2.0, 34.4664001464844, 3.76099991798401, 8.0, 6.0, 18.0, 29.0, , 2.0, -1.12360000610352, 0.0, 2.0, 2.0, 6.0
-InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%2811%295%289%296%2810%294%282%298%2Fh1%2C11H, 1.57000005245209, 6.33478546142578, 0.0, 25.0270004272461, 2.21700000762939, 7.0, 6.0, 11.0, 13.0, , 0.0, 2.51690006256104, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC8H7NO4%2Fc1-13-8%2810%296-2-4-7%285-3-6%299%2811%2912%2Fh2-5H%2C1H3, 1.78999996185303, 0.00125315994955599, 0.0, 14.8741998672485, 2.2409999370575, 12.0, 6.0, 13.0, 20.0, , 4.0, -0.0353999994695187, 0.0, 3.0, 0.0, 6.0
-InChI%3D1S%2FC9H14O2%2Fc1-2-9%2810%2911-8-6-4-3-5-7-8%2Fh2%2C8H%2C1%2C3-7H2, 2.23000001907349, 0.961772501468658, 3.0, 34.3196983337402, 2.36100006103516, 5.0, 0.0, 11.0, 25.0, , 5.0, -0.980700016021729, 0.0, 3.0, 0.0, 0.0
-InChI%3D1S%2FC7H6O2%2Fc8-5-6-3-1-2-4-7%286%299%2Fh1-5%2C9H, 2.00999999046326, 0.426017284393311, 0.0, 8.85849952697754, 2.12400007247925, 9.0, 6.0, 9.0, 15.0, , 2.0, -0.652700006961823, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC6H14S2%2Fc1-3-5-7-8-6-4-2%2Fh3-6H2%2C1-2H3, 1.89999997615814, 0.534361004829407, 3.0, 42.6319999694824, 2.99799990653992, 0.0, 0.0, 7.0, 22.0, , 8.0, 0.731000006198883, 0.0, 5.0, 0.0, 0.0
-InChI%3D1S%2FC9H21O2PS3%2Fc1-6-10-12%2813%2C11-7-2%2915-8-14-9%283%2C4%295%2Fh6-8H2%2C1-5H3, 1.78999996185303, 13.6434192657471, 2.0, 76.9517974853516, 4.50099992752075, 4.0, 0.0, 14.0, 36.0, , 15.0, 3.69370007514954, 0.0, 8.0, 0.0, 0.0
-InChI%3D1S%2F2C4H7Cl3O.H2O%2Fc2%2A1-3%282%2C8%294%285%2C6%297%3B%2Fh2%2A8H%2C1-2H3%3B1H2, 1.35000002384186, 13.278736114502, 3.0, 74.5431976318359, 3.96099996566772, 0.0, 0.0, 14.0, 33.0, , 8.0, 3.64400005340576, 0.0, 2.0, 3.0, 0.0
-InChI%3D1S%2FC4H6O2%2Fc5-3-1-2-4-6%2Fh5-6H%2C3-4H2, 1.67999994754791, 0.094249002635479, 4.0, 23.117000579834, -0.879999995231628, 2.0, 0.0, 5.0, 12.0, , 6.0, -0.307000011205673, 0.0, 0.0, 2.0, 0.0
-InChI%3D1S%2FC4H5NO%2Fc1-4-2-6-3-5-4%2Fh2-3H%2C1H3, 1.67999994754791, 0.0814531594514847, 0.0, 7.3516001701355, 0.583999991416931, 0.0, 0.0, 6.0, 11.0, , 0.0, 0.285400003194809, 0.0, 0.0, 1.0, 5.0
-InChI%3D1S%2FC3H6Br2%2Fc4-2-1-3-5%2Fh1-3H2, 1.57000005245209, 2.28856372833252, 3.0, 29.534200668335, 2.7739999294281, 0.0, 0.0, 4.0, 11.0, , 5.0, 1.51279997825623, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC6H12O%2Fc1-3-5-6%287%294-2%2Fh4%2C6-7H%2C2-3%2C5H2%2C1H3, 2.00999999046326, 0.107518412172794, 6.0, 27.831600189209, 1.56900000572205, 2.0, 0.0, 6.0, 19.0, , 7.0, -0.327899992465973, 0.0, 3.0, 1.0, 0.0
-InChI%3D1S%2FC6H4N2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H, 1.89999997615814, 0.00120408996008337, 0.0, 6.19859981536865, 1.1360000371933, 8.0, 6.0, 8.0, 12.0, , 2.0, 0.0346999987959862, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC9H19NO%2Fc1-4-10%285-2%298-6-7-9%283%2911%2Fh4-8H2%2C1-3H3, 2.23000001907349, 0.0497736111283302, 5.0, 45.8223991394043, 1.07200002670288, 1.0, 0.0, 10.0, 30.0, , 11.0, 0.223100006580353, 0.0, 6.0, 0.0, 0.0
-InChI%3D1S%2FC6H14S%2Fc1-3-5-7-6-4-2%2Fh3-6H2%2C1-2H3, 2.00999999046326, 0.0197121594101191, 3.0, 34.8385009765625, 2.74300003051758, 0.0, 0.0, 6.0, 21.0, , 7.0, 0.140400007367134, 0.0, 4.0, 0.0, 0.0
-InChI%3D1S%2FC9H18O2%2Fc1-2-3-4-5-6-7-8-9%2810%2911%2Fh2-8H2%2C1H3%2C%28H%2C10%2C11%29, 2.23000001907349, 3.54079484939575, 9.0, 35.1367988586426, 3.58699989318848, 3.0, 0.0, 10.0, 29.0, , 11.0, -1.88170003890991, 0.0, 7.0, 1.0, 0.0
-InChI%3D1S%2FC7H6Cl2O2%2Fc1-11-7-3-5%289%294%288%292-6%287%2910%2Fh2-3%2C10H%2C1H3, 1.78999996185303, 0.95355224609375, 0.0, 21.1116008758545, 1.5809999704361, 8.0, 6.0, 11.0, 17.0, , 2.0, 0.976499974727631, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC5H8O%2Fc1-3-4-5%282%296%2Fh1%2C5-6H%2C4H2%2C2H3, 1.89999997615814, 0.135350406169891, 5.0, 24.4908008575439, 0.386999994516373, 2.0, 0.0, 5.0, 14.0, , 6.0, 0.367900013923645, 0.0, 1.0, 1.0, 0.0
-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, 3.54999995231628, 0.690062463283539, 4.0, 42.6431999206543, 7.95599985122681, 13.0, 18.0, 35.0, 56.0, , 10.0, 0.830699980258942, 1.0, 10.0, 0.0, 18.0
-InChI%3D1S%2FC13H26O%2Fc1-3-4-5-6-7-8-9-10-11-12-13%282%2914%2Fh3-12H2%2C1-2H3, 2.77999997138977, 7.61649608612061, 13.0, 47.4226989746094, 5.55900001525879, 1.0, 0.0, 13.0, 40.0, , 14.0, -2.75979995727539, 1.0, 10.0, 0.0, 0.0
-InChI%3D1S%2FC8H12N2%2Fc9-7-5-3-1-2-4-6-8-10%2Fh1-6H2, 2.11999988555908, 1.02616894245148, 8.0, 33.1419982910156, 1.36600005626678, 2.0, 0.0, 9.0, 22.0, , 10.0, -1.01300001144409, 0.0, 5.0, 0.0, 0.0
-InChI%3D1S%2FC10H10O%2Fc1-3-10%282%2C11%299-7-5-4-6-8-9%2Fh1%2C4-8%2C11H%2C2H3, 2.45000004768372, 0.210864633321762, 4.0, 18.3642997741699, 2.89000010490417, 6.0, 6.0, 11.0, 21.0, , 5.0, 0.459199994802475, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC8H18O%2Fc1-2-3-4-5-6-7-8-9%2Fh9H%2C2-8H2%2C1H3, 2.23000001907349, 4.51732492446899, 8.0, 30.6450996398926, 3.12700009346008, 0.0, 0.0, 8.0, 27.0, , 9.0, -2.12540006637573, 0.0, 6.0, 1.0, 0.0
-InChI%3D1S%2FC18H39O7P%2Fc1-4-7-10-20-13-16-23-26%2819%2C24-17-14-21-11-8-5-2%2925-18-15-22-12-9-6-3%2Fh4-18H2%2C1-3H3, 2.55999994277954, 4.12374258041382, 4.0, 93.4414978027344, 2.78999996185303, 5.0, 0.0, 25.0, 65.0, , 26.0, -2.03069996833801, 1.0, 21.0, 0.0, 0.0
-InChI%3D1S%2FC9H14N.HI%2Fc1-10%282%2C3%299-7-5-4-6-8-9%3B%2Fh4-8H%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, 2.23000001907349, , 0.0, , 3.46499991416931, 7.0, 6.0, 10.0, 25.0, , 4.0, , 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC12H16%2Fc1-5-10-6-8-11%289-7-10%2912%282%2C3%294%2Fh5-9H%2C1H2%2C2-4H3, 2.77999997138977, 5.12433767318726, 2.0, 29.2740001678467, 6.96000003814697, 8.0, 6.0, 12.0, 28.0, , 3.0, 2.26370000839233, 1.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC15H24O%2Fc1-10-8-11%2814%282%2C3%294%2913%2816%2912%289-10%2915%285%2C6%297%2Fh8-9%2C16H%2C1-7H3, 3.0, 10.851095199585, 0.0, 46.3203010559082, 5.95699977874756, 7.0, 6.0, 16.0, 40.0, , 3.0, 3.29410004615784, 1.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H, 1.89999997615814, 0.847504377365112, 0.0, 5.12919998168945, 1.29900002479553, 8.0, 6.0, 8.0, 14.0, , 0.0, -0.92059999704361, 0.0, 0.0, 2.0, 6.0
-InChI%3D1S%2FC9H21N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-10H2%2C1H3, 2.33999991416931, 7.30620908737183, 9.0, 35.2141990661621, 3.62899994850159, 0.0, 0.0, 9.0, 31.0, , 10.0, -2.70300006866455, 0.0, 7.0, 1.0, 0.0
-InChI%3D1S%2FC12H15NO3%2Fc1-12%282%297-8-5-4-6-9%2810%288%2916-12%2915-11%2814%2913-3%2Fh4-6H%2C7H2%2C1-3H3%2C%28H%2C13%2C14%29, 2.33999991416931, 0.992812931537628, 0.0, 35.3858985900879, 3.06699991226196, 11.0, 6.0, 17.0, 31.0, , 5.0, 0.996399998664856, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC3H10N2%2Fc4-2-1-3-5%2Fh1-5H2, 1.57000005245209, 3.11381316184998, 3.0, 20.7801990509033, -0.984000027179718, 0.0, 0.0, 4.0, 15.0, , 5.0, -1.76460003852844, 0.0, 2.0, 2.0, 0.0
-InChI%3D1S%2FC8H8O%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-6H%2C1H3, 2.23000001907349, 0.202140167355537, 0.0, 11.7959995269775, 3.40300011634827, 8.0, 6.0, 9.0, 17.0, , 2.0, 0.449600011110306, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC8H18S2%2Fc1-7%282%2C3%299-10-8%284%2C5%296%2Fh1-6H3, 2.11999988555908, 10.5521020889282, 3.0, 54.5880012512207, 3.66599988937378, 0.0, 0.0, 9.0, 28.0, , 10.0, 3.24839997291565, 0.0, 3.0, 0.0, 0.0
-InChI%3D1S%2FC11H12O2%2Fc1-9%282%2911%2812%2913-8-10-6-4-3-5-7-10%2Fh3-7H%2C1%2C8H2%2C2H3, 2.45000004768372, 1.15433537960052, 3.0, 25.4330997467041, 3.62199997901917, 6.0, 6.0, 13.0, 25.0, , 7.0, 1.07439994812012, 0.0, 4.0, 0.0, 6.0
-InChI%3D1S%2FC2H3N%2Fc1-2-3%2Fh1H3, 1.57000005245209, 0.00198915996588767, 2.0, 11.6230001449585, 0.0309999994933605, 1.0, 0.0, 2.0, 6.0, , 3.0, 0.044599998742342, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H11NO%2Fc1-2-5-3-4-6%2Fh5-6H%2C2-4H2%2C1H3, 1.67999994754791, 0.25482302904129, 2.0, 25.2794990539551, -0.462000012397766, 0.0, 0.0, 5.0, 17.0, , 6.0, -0.504800021648407, 0.0, 3.0, 2.0, 0.0
-InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, 2.00999999046326, 0.28302401304245, 0.0, 16.4654006958008, 1.66600000858307, 10.0, 6.0, 11.0, 20.0, , 4.0, -0.532000005245209, 0.0, 1.0, 2.0, 6.0
-InChI%3D1S%2FC5H4BrNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H, 1.67999994754791, 0.0811680108308792, 0.0, 11.4834003448486, 1.25600004196167, 7.0, 6.0, 8.0, 12.0, , 0.0, 0.284900009632111, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC8H14%2Fc1-7%282%295-6-8%283%294%2Fh5-6H%2C1-4H3, 2.33999991416931, 9.68703365325928, 6.0, 40.2053985595703, 3.12800002098083, 4.0, 0.0, 7.0, 22.0, , 8.0, 3.11240005493164, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC6H4ClNO2%2Fc7-5-2-1-3-6%284-5%298%289%2910%2Fh1-4H, 1.67999994754791, 0.486785292625427, 0.0, 8.50139999389648, 2.77900004386902, 9.0, 6.0, 10.0, 14.0, , 2.0, 0.697700023651123, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC7H8O%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5%2C8H%2C1H3, 2.11999988555908, 0.033014889806509, 0.0, 8.06669998168945, 2.15599989891052, 7.0, 6.0, 8.0, 16.0, , 0.0, 0.181700006127357, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC3H8O%2Fc1-2-3-4%2Fh4H%2C2-3H2%2C1H3, 1.67999994754791, 0.469773173332214, 3.0, 16.0870990753174, 0.282000005245209, 0.0, 0.0, 3.0, 12.0, , 4.0, -0.685400009155273, 0.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC14H14NO4PS%2Fc1-2-18-20%2821%2C14-6-4-3-5-7-14%2919-13-10-8-12%289-11-13%2915%2816%2917%2Fh3-11H%2C2H2%2C1H3, 2.23000001907349, 0.58767557144165, 2.0, 30.2910995483398, 6.44199991226196, 19.0, 12.0, 22.0, 35.0, , 6.0, 0.766600012779236, 1.0, 6.0, 0.0, 12.0
-InChI%3D1S%2FC6H8N2%2Fc7-5-3-1-2-4-6-8%2Fh1-4H2, 1.89999997615814, 0.190969005227089, 6.0, 27.3187999725342, 0.228000000119209, 2.0, 0.0, 7.0, 16.0, , 8.0, -0.437000006437302, 0.0, 3.0, 0.0, 0.0
-InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3, 2.23000001907349, 1.58911240100861, 7.0, 35.0635986328125, 2.85500001907349, 0.0, 0.0, 8.0, 27.0, , 9.0, -1.26059997081757, 0.0, 5.0, 1.0, 0.0
-InChI%3D1S%2FC10H14O%2Fc1-10%282%2C3%298-4-6-9%2811%297-5-8%2Fh4-7%2C11H%2C1-3H3, 2.45000004768372, 1.20099675655365, 0.0, 21.6914005279541, 4.05000019073486, 7.0, 6.0, 11.0, 25.0, , 3.0, 1.09590005874634, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC6HCl3N2O4%2Fc7-2-1-3%288%296%2811%2814%2915%294%289%295%282%2910%2812%2913%2Fh1H, 1.12999999523163, 4.57831621170044, 0.0, 22.6184005737305, 2.85800004005432, 12.0, 6.0, 15.0, 16.0, , 3.0, 2.13969993591309, 0.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC7H5ClO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H, 1.89999997615814, 0.00839055981487036, 0.0, 14.474100112915, 2.0090000629425, 9.0, 6.0, 10.0, 15.0, , 2.0, 0.0916000008583069, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC6H14O2%2Fc1-5%287%294-6%282%2C3%298%2Fh5%2C7-8H%2C4H2%2C1-3H3, 1.89999997615814, 0.00490000005811453, 5.0, 32.6455993652344, 0.486999988555908, 0.0, 0.0, 7.0, 22.0, , 8.0, -0.0700000002980232, 0.0, 2.0, 2.0, 0.0
-InChI%3D1S%2FC8H6Br4%2Fc9-7%2810%295-3-1-2-4-6%285%298%2811%2912%2Fh1-4%2C7-8H, 1.89999997615814, 10.5313234329224, 0.0, 42.030200958252, 6.31400012969971, 6.0, 6.0, 12.0, 18.0, , 3.0, 3.24519991874695, 1.0, 2.0, 0.0, 6.0
-InChI%3D1S%2FC8H18O%2Fc1-3-5-7-9-8-6-4-2%2Fh3-8H2%2C1-2H3, 2.23000001907349, 1.39310812950134, 4.0, 34.4873008728027, 2.72000002861023, 0.0, 0.0, 8.0, 27.0, , 9.0, -1.18029999732971, 0.0, 6.0, 0.0, 0.0
-InChI%3D1S%2FC10H14O%2Fc11-10-8-2-6-1-7%284-8%295-9%2810%293-6%2Fh6-9H%2C1-5H2, 2.45000004768372, 0.728291571140289, 0.0, 42.521800994873, 1.84200000762939, 2.0, 0.0, 13.0, 25.0, , 0.0, -0.853399991989136, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H7NO2.ClH%2Fc9-7%2810%296-8-4-2-1-3-5-8%3B%2Fh1-5H%2C6H2%3B1H, 1.78999996185303, 6.57050704956055, 2.0, 9.50349998474121, 0.781000018119812, 3.0, 0.0, 10.0, 20.0, , 4.0, -2.56329989433289, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC8H5Cl3O%2Fc1-4%2812%295-2-3-6%289%298%2811%297%285%2910%2Fh2-3H%2C1H3, 1.89999997615814, 3.91644096374512, 2.0, 27.6172008514404, 2.58599996566772, 8.0, 6.0, 12.0, 17.0, , 3.0, 1.97899997234344, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC13H11NO2%2Fc15-12-9-5-4-8-11%2812%2913%2816%2914-10-6-2-1-3-7-10%2Fh1-9%2C15H%2C%28H%2C14%2C16%29, 2.55999994277954, 0.293655604124069, 0.0, 11.0410003662109, 4.63000011444092, 16.0, 12.0, 17.0, 27.0, , 3.0, -0.541899979114532, 0.0, 2.0, 2.0, 12.0
-InChI%3D1S%2FC12H8ClNO3%2Fc13-9-5-7-10%288-6-9%2917-12-4-2-1-3-11%2812%2914%2815%2916%2Fh1-8H, 2.23000001907349, 0.295500963926315, 0.0, 10.1204996109009, 4.66699981689453, 16.0, 12.0, 18.0, 25.0, , 2.0, 0.543600022792816, 0.0, 3.0, 0.0, 12.0
-InChI%3D1S%2FC8H12O2%2Fc1-8%282%294-6%289%293-7%2810%295-8%2Fh3-5H2%2C1-2H3, 2.11999988555908, 0.24108099937439, 0.0, 37.964298248291, 0.573000013828278, 2.0, 0.0, 10.0, 22.0, , 0.0, 0.49099999666214, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC17H18O2%2Fc1-17%282%2C3%2914-7-9-15%2810-8-14%2919-16-6-4-5-13%2811-16%2912-18%2Fh4-12H%2C1-3H3, 3.10999989509583, 1.46337413787842, 0.0, 27.0398006439209, 6.55200004577637, 15.0, 12.0, 20.0, 37.0, , 3.0, 1.20969998836517, 1.0, 4.0, 0.0, 12.0
-InChI%3D1S%2FC8H10O%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6%2C9H%2C2H2%2C1H3, 2.23000001907349, 0.0235315598547459, 2.0, 12.9151000976562, 2.93600010871887, 7.0, 6.0, 9.0, 19.0, , 2.0, -0.153400003910065, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC7H11ClO4%2Fc1-3-11-6%289%295%288%297%2810%2912-4-2%2Fh5H%2C3-4H2%2C1-2H3, 1.67999994754791, 1.23298811912537, 3.0, 41.502799987793, 1.38699996471405, 3.0, 0.0, 11.0, 23.0, , 12.0, 1.11039996147156, 0.0, 6.0, 0.0, 0.0
-InChI%3D1S%2FC2H8N2%2Fc3-1-2-4%2Fh1-4H2, 1.46000003814697, 2.18034744262695, 2.0, 17.8686008453369, -1.34200000762939, 0.0, 0.0, 3.0, 12.0, , 4.0, -1.47660005092621, 0.0, 1.0, 2.0, 0.0
-InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh2-3H%2C1H2, 1.67999994754791, 0.166790559887886, 3.0, 16.3659992218018, 0.293000012636185, 4.0, 0.0, 3.0, 8.0, , 4.0, 0.408399999141693, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC7H13N3O3S%2Fc1-8-7%2812%2913-9-5%2814-4%296%2811%2910%282%293%2Fh1-4H3%2C%28H%2C8%2C12%29, 1.46000003814697, 0.283662766218185, 2.0, 53.7678985595703, 0.953999996185303, 9.0, 0.0, 13.0, 27.0, , 14.0, 0.532599985599518, 0.0, 5.0, 1.0, 0.0
-InChI%3D1S%2FC13H10ClNO%2Fc14-10-7-5-9%286-8-10%2913%2816%2911-3-1-2-4-12%2811%2915%2Fh1-8H%2C15H2, 2.55999994277954, 0.0725763589143753, 0.0, 15.1836996078491, 4.11700010299683, 15.0, 12.0, 17.0, 26.0, , 1.0, -0.269400000572205, 0.0, 2.0, 1.0, 12.0
-InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2, 1.67999994754791, 0.0685392394661903, 0.0, 22.0869998931885, -0.379999995231628, 0.0, 0.0, 6.0, 14.0, , 0.0, -0.261799991130829, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H12N2O2S%2Fc1-3-9-6%2811%295-7%2812%2910%284-2%298%289%2913%2Fh3-5H2%2C1-2H3, 1.78999996185303, 0.584613144397736, 2.0, 52.3466987609863, -0.247999995946884, 8.0, 0.0, 13.0, 25.0, , 2.0, 0.764599978923798, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC6H7N%2Fc1-6-3-2-4-7-5-6%2Fh2-5H%2C1H3, 2.00999999046326, 0.412164002656937, 0.0, 5.50209999084473, 1.51199996471405, 6.0, 6.0, 7.0, 14.0, , 0.0, 0.642000019550323, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H, 1.78999996185303, 0.00217155995778739, 0.0, 2.88579988479614, 2.89400005340576, 9.0, 6.0, 9.0, 14.0, , 3.0, -0.0465999990701675, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC2H5ClO%2Fc3-1-2-4%2Fh4H%2C1-2H2, 1.46000003814697, 0.0943718403577805, 2.0, 17.6046009063721, 0.266000002622604, 0.0, 0.0, 3.0, 9.0, , 4.0, 0.307200014591217, 0.0, 1.0, 1.0, 0.0
-InChI%3D1S%2FC3H6Br2O%2Fc4-1-3%285%292-6%2Fh3%2C6H%2C1-2H2, 1.46000003814697, 1.6643580198288, 3.0, 32.5850982666016, 1.5809999704361, 0.0, 0.0, 5.0, 12.0, , 6.0, 1.29009997844696, 0.0, 2.0, 1.0, 0.0
-InChI%3D1S%2FC6H3I3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, 1.67999994754791, 14.4399995803833, 0.0, 44.4031982421875, 3.73499989509583, 7.0, 6.0, 10.0, 13.0, , 0.0, 3.79999995231628, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC6H4Cl2O2%2Fc7-3-1-5%289%296%2810%292-4%283%298%2Fh1-2%2C9-10H, 1.67999994754791, 0.322623997926712, 0.0, 16.3603992462158, 1.49100005626678, 8.0, 6.0, 10.0, 14.0, , 0.0, 0.568000018596649, 0.0, 0.0, 2.0, 6.0
-InChI%3D1S%2FC9H19NO%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh9H%2C3-8H2%2C1-2H3, 2.23000001907349, 2.99255394935608, 4.0, 41.6621017456055, 2.31599998474121, 3.0, 0.0, 10.0, 30.0, , 11.0, -1.72990000247955, 0.0, 7.0, 0.0, 0.0
-InChI%3D1S%2FC14H9Cl5O%2Fc15-11-5-1-9%282-6-11%2913%2820%2C14%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C20H, 2.33999991416931, 5.91267871856689, 2.0, 37.0377998352051, 6.1100001335144, 6.0, 12.0, 21.0, 29.0, , 6.0, 2.43160009384155, 1.0, 3.0, 1.0, 12.0
-InChI%3D1S%2FC7H17N%2Fc1-2-3-4-5-6-7-8%2Fh2-8H2%2C1H3, 2.11999988555908, 4.52412891387939, 7.0, 29.3910007476807, 2.4909999370575, 0.0, 0.0, 7.0, 25.0, , 8.0, -2.12700009346008, 0.0, 5.0, 1.0, 0.0
-InChI%3D1S%2FC9H10O3%2Fc1-6%2810%298-4-3-7%2812-2%295-9%288%2911%2Fh3-5%2C11H%2C1-2H3, 2.11999988555908, 0.586755990982056, 0.0, 20.6508007049561, 1.32000005245209, 10.0, 6.0, 12.0, 22.0, , 2.0, -0.765999972820282, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC5H10O%2Fc1-2-3-4-5-6%2Fh5H%2C2-4H2%2C1H3, 1.89999997615814, 0.465533286333084, 5.0, 22.5650005340576, 1.72500002384186, 1.0, 0.0, 5.0, 16.0, , 6.0, -0.682299971580505, 0.0, 3.0, 0.0, 0.0
-InChI%3D1S%2FC12H9NO%2Fc14-12%2810-4-2-1-3-5-10%2911-6-8-13-9-7-11%2Fh1-9H, 2.55999994277954, 0.0695904418826103, 0.0, 5.34600019454956, 3.64800000190735, 14.0, 12.0, 15.0, 23.0, , 2.0, -0.263799995183945, 0.0, 2.0, 0.0, 12.0
-InChI%3D1S%2FC20H30O2%2Fc1-5-18%282%2912-9-15-14%2813-18%297-8-16-19%2815%2C3%2910-6-11-20%2816%2C4%2917%2821%2922%2Fh5%2C7%2C15-16H%2C1%2C6%2C8-13H2%2C2-4H3%2C%28H%2C21%2C22%29%2Ft15-%2C16%2B%2C18-%2C19%2B%2C20%2B%2Fm0%2Fs1, 3.44000005722046, 3.8734176158905, 2.0, 89.8181991577148, 6.31599998474121, 3.0, 0.0, 24.0, 52.0, , 2.0, 1.96809995174408, 1.0, 2.0, 1.0, 0.0
-InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2%2Fb2-1%2B, 1.57000005245209, 2.30493116378784, 3.0, 25.2765998840332, 2.09899997711182, 2.0, 0.0, 4.0, 9.0, , 5.0, 1.51820003986359, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC6H2Cl4O2%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh11-12H, 1.46000003814697, 4.22960376739502, 0.0, 27.5916004180908, 1.68299996852875, 8.0, 6.0, 12.0, 14.0, , 0.0, 2.05660009384155, 0.0, 0.0, 2.0, 6.0
-InChI%3D1S%2FC7H15Br%2Fc1-2-3-4-5-6-7-8%2Fh2-7H2%2C1H3, 2.11999988555908, 0.23843689262867, 7.0, 33.7680015563965, 4.36999988555908, 0.0, 0.0, 7.0, 23.0, , 8.0, -0.488299995660782, 0.0, 5.0, 0.0, 0.0
-InChI%3D1S%2FC3H9NO%2Fc1-5-3-2-4%2Fh2-4H2%2C1H3, 1.57000005245209, 0.606062233448029, 2.0, 20.9622993469238, -0.755999982357025, 0.0, 0.0, 4.0, 14.0, , 5.0, -0.778500020503998, 0.0, 2.0, 1.0, 0.0
-InChI%3D1S%2FC6H4Cl2%2Fc7-5-2-1-3-6%288%294-5%2Fh1-4H, 1.89999997615814, 2.21592998504639, 0.0, 11.2312002182007, 2.98799991607666, 6.0, 6.0, 8.0, 12.0, , 0.0, 1.48860001564026, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC10H23N%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh2-11H2%2C1H3, 2.45000004768372, 8.94608116149902, 10.0, 38.1258010864258, 4.19799995422363, 0.0, 0.0, 10.0, 34.0, , 11.0, -2.9909999370575, 0.0, 8.0, 1.0, 0.0
-InChI%3D1S%2FC8H16O%2Fc1-7%282%295-6-8%283%2C4%299-7%2Fh5-6H2%2C1-4H3, 2.23000001907349, 2.38795208930969, 0.0, 38.0587005615234, 2.27999997138977, 0.0, 0.0, 9.0, 25.0, , 0.0, 1.54530000686646, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H6N2O2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H%2C7H2, 1.67999994754791, 0.634412229061127, 0.0, 7.10790014266968, 1.65299999713898, 10.0, 6.0, 10.0, 16.0, , 2.0, -0.796500027179718, 0.0, 1.0, 1.0, 6.0
-InChI%3D1S%2FC5H8O3%2Fc1-2-5%287%298-4-3-6%2Fh2%2C6H%2C1%2C3-4H2, 1.67999994754791, 0.00527076004073024, 3.0, 28.3528003692627, -0.175999999046326, 5.0, 0.0, 7.0, 16.0, , 8.0, 0.0725999996066093, 0.0, 4.0, 1.0, 0.0
-InChI%3D1S%2FC7H6O3%2Fc8-4-5-1-2-6%289%293-7%285%2910%2Fh1-4%2C9-10H, 1.89999997615814, 1.23876905441284, 0.0, 11.4231004714966, 0.949999988079071, 10.0, 6.0, 10.0, 16.0, , 2.0, -1.11300003528595, 0.0, 1.0, 2.0, 6.0
-InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3, 2.33999991416931, 0.0941876098513603, 2.0, 10.3505001068115, 4.9539999961853, 6.0, 6.0, 8.0, 18.0, , 2.0, 0.30689999461174, 0.0, 1.0, 0.0, 6.0
-InChI%3D1S%2FC8H10%2Fc1-7-3-5-8%282%296-4-7%2Fh3-6H%2C1-2H3, 2.33999991416931, 1.64865601062775, 0.0, 11.0041999816895, 4.70800018310547, 6.0, 6.0, 8.0, 18.0, , 0.0, 1.28400003910065, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC14H23NO4%2Fc1-16-7-5-6-15-10-11-8-12%2817-2%2914%2819-4%2913%289-11%2918-3%2Fh8-9%2C15H%2C5-7%2C10H2%2C1-4H3, 2.45000004768372, 0.77580863237381, 3.0, 49.611400604248, 0.935000002384186, 9.0, 6.0, 19.0, 42.0, , 7.0, -0.880800008773804, 0.0, 9.0, 1.0, 6.0
-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, 3.66000008583069, 0.647863984107971, 4.0, 40.937198638916, 7.78200006484985, 13.0, 18.0, 32.0, 52.0, , 10.0, 0.804899990558624, 1.0, 8.0, 0.0, 18.0
-InChI%3D1S%2FC8H8O4%2Fc1-12-8%2811%296-3-2-5%289%294-7%286%2910%2Fh2-4%2C9-10H%2C1H3, 1.89999997615814, 0.827008366584778, 0.0, 17.1175994873047, 0.85699999332428, 11.0, 6.0, 12.0, 20.0, , 4.0, -0.90939998626709, 0.0, 2.0, 2.0, 6.0
-InChI%3D1S%2FC9H18O%2Fc1-3-4-5-6-7-8-9%282%2910%2Fh3-8H2%2C1-2H3, 2.33999991416931, 2.58502078056335, 9.0, 35.7762985229492, 3.28299999237061, 1.0, 0.0, 9.0, 28.0, , 10.0, -1.60780000686646, 0.0, 6.0, 0.0, 0.0
-InChI%3D1S%2FC13H8Cl2O2%2Fc14-12-5-4-11%287-13%2812%2915%2917-10-3-1-2-9%286-10%298-16%2Fh1-8H, 2.45000004768372, 1.30439245700836, 0.0, 19.1441993713379, 4.52699995040894, 15.0, 12.0, 18.0, 25.0, , 2.0, 1.14209997653961, 0.0, 3.0, 0.0, 12.0
-InChI%3D1S%2FC8H8O3%2Fc1-11-7-4-2-3-6%285-9%298%287%2910%2Fh2-5%2C10H%2C1H3, 2.00999999046326, 0.496320247650146, 0.0, 16.1742992401123, 1.46899998188019, 10.0, 6.0, 11.0, 19.0, , 2.0, -0.704500019550323, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC10H22N2%2Fc1-9%282%2C11%298-4-6-10%283%2C12%297-5-8%2Fh8H%2C4-7%2C11-12H2%2C1-3H3, 2.33999991416931, 0.00121103995479643, 0.0, 50.8577003479004, 1.442999958992, 0.0, 0.0, 12.0, 34.0, , 3.0, -0.0348000004887581, 0.0, 1.0, 2.0, 0.0
-InChI%3D1S%2FC8H14O3%2Fc1-4-10-5-6-11-8%289%297%282%293%2Fh2%2C4-6H2%2C1%2C3H3, 2.00999999046326, 1.65019714832306, 3.0, 41.7549018859863, 0.947000026702881, 5.0, 0.0, 10.0, 25.0, , 11.0, 1.28460001945496, 0.0, 6.0, 0.0, 0.0
-InChI%3D1S%2FC6H6BrN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2, 1.89999997615814, 0.0192932095378637, 0.0, 12.8212003707886, 2.20000004768372, 7.0, 6.0, 8.0, 14.0, , 0.0, 0.138899996876717, 0.0, 0.0, 1.0, 6.0
-InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29, 1.67999994754791, 0.00263168988749385, 0.0, 5.89870023727417, 0.535000026226044, 0.0, 0.0, 6.0, 11.0, , 0.0, 0.0513000003993511, 0.0, 0.0, 2.0, 5.0
-InChI%3D1S%2FC8H6ClN%2Fc1-6-3-2-4-8%289%297%286%295-10%2Fh2-4H%2C1H3, 2.11999988555908, 2.01924109458923, 0.0, 17.3162994384766, 2.7739999294281, 8.0, 6.0, 10.0, 16.0, , 2.0, 1.4210000038147, 0.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC13H13NO%2Fc14-12-7-4-8-13%289-12%2915-10-11-5-2-1-3-6-11%2Fh1-9H%2C10%2C14H2, 2.67000007629395, 0.796377778053284, 0.0, 10.5534000396729, 4.23000001907349, 8.0, 12.0, 16.0, 28.0, , 2.0, -0.892400026321411, 0.0, 3.0, 1.0, 12.0
-InChI%3D1S%2FC3H6O2.Na%2Fc1-2-3%284%295%3B%2Fh2H2%2C1H3%2C%28H%2C4%2C5%29%3B%2Fq%3B%2B1%2Fp-1, 1.46000003814697, , 3.0, , -0.30799999833107, 3.0, 0.0, 4.0, 11.0, , 5.0, , 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC6H11NO%2Fc8-7-6-4-2-1-3-5-6%2Fh8H%2C1-5H2, 1.89999997615814, 1.03286564350128, 0.0, 26.7140998840332, 1.16299998760223, 3.0, 0.0, 8.0, 19.0, , 2.0, -1.01629996299744, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC2H5NO%2Fc1-2-3-4%2Fh2%2C4H%2C1H3, 1.46000003814697, 0.0197683591395617, 2.0, 15.2531995773315, 0.577000021934509, 3.0, 0.0, 3.0, 9.0, , 4.0, -0.140599995851517, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC6H12ClN.ClH%2Fc7-3-6-8-4-1-2-5-8%3B%2Fh1-6H2%3B1H, 1.78999996185303, 0.0519384108483791, 2.0, 33.1856002807617, 1.84599995613098, 0.0, 0.0, 8.0, 22.0, , 3.0, 0.227899998426437, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC9H13N%2Fc1-3-10-9-6-4-5-8%282%297-9%2Fh4-7%2C10H%2C3H2%2C1-2H3, 2.33999991416931, 0.329820483922958, 2.0, 18.7926006317139, 3.11299991607666, 7.0, 6.0, 10.0, 23.0, , 3.0, 0.574299991130829, 0.0, 2.0, 1.0, 6.0
-InChI%3D1S%2FC8H19N%2Fc1-7%282%2C3%296-8%284%2C5%299%2Fh6%2C9H2%2C1-5H3, 2.23000001907349, 2.96390652656555, 5.0, 41.8714981079102, 2.77500009536743, 0.0, 0.0, 8.0, 28.0, , 9.0, 1.72160005569458, 0.0, 2.0, 1.0, 0.0
-InChI%3D1S%2FC10H18O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7-8%2C11H%2C4-6H2%2C1-3H3%2Ft7-%2C8%2B%2C10%2B%2Fm0%2Fs1, 2.45000004768372, 0.889626264572144, 0.0, 44.2816009521484, 2.73399996757507, 0.0, 0.0, 12.0, 29.0, , 0.0, 0.943199992179871, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3, 2.45000004768372, 3.70947599411011, 0.0, 16.5062999725342, 5.0310001373291, 6.0, 6.0, 9.0, 21.0, , 0.0, 1.92599999904633, 1.0, 0.0, 0.0, 6.0
-InChI%3D1S%2FC5H10O2%2Fc1-3-4-7-5%282%296%2Fh3-4H2%2C1-2H3, 1.78999996185303, 0.0938196927309036, 3.0, 25.2385997772217, 1.02199995517731, 3.0, 0.0, 6.0, 17.0, , 7.0, -0.306300014257431, 0.0, 3.0, 0.0, 0.0
-InChI%3D1S%2FC7H12O2%2Fc1-5%282%297%288%299-6%283%294%2Fh6H%2C1H2%2C2-4H3, 2.00999999046326, 1.24322497844696, 3.0, 35.9161987304688, 1.59700000286102, 5.0, 0.0, 8.0, 21.0, , 9.0, 1.11500000953674, 0.0, 3.0, 0.0, 0.0
-InChI%3D1S%2FC7H12O%2Fc1-3-5-6-7%288%294-2%2Fh2%2C7-8H%2C3%2C5-6H2%2C1H3, 2.11999988555908, 0.311922252178192, 7.0, 28.360200881958, 1.79100000858307, 2.0, 0.0, 7.0, 20.0, , 8.0, -0.558499991893768, 0.0, 3.0, 1.0, 0.0
-InChI%3D1S%2FC5H13N%2Fc1-4%282%295%283%296%2Fh4-5H%2C6H2%2C1-3H3, 1.89999997615814, 0.0310112107545137, 4.0, 27.7865009307861, 0.972000002861023, 0.0, 0.0, 5.0, 19.0, , 6.0, -0.176100000739098, 0.0, 1.0, 1.0, 0.0
\ No newline at end of file
diff --git a/5x_cv/FHM_electronic_cpsa.csv b/5x_cv/FHM_electronic_cpsa.csv
deleted file mode 100644
index 0df4232..0000000
--- a/5x_cv/FHM_electronic_cpsa.csv
+++ /dev/null
@@ -1,581 +0,0 @@
-SMILES,RPSA,RNCS,RPCG,FNSA-1,RHSA,RPCS,FNSA-2,PNSA-1,PPSA-1,FNSA-3,FPSA-1,DPSA-1,PNSA-2,PPSA-2,nHBAcc,WNSA-1,FPSA-2,DPSA-2,PNSA-3,PPSA-3,WNSA-2,FPSA-3,DPSA-3,nHBDon,WNSA-3,TPSA,WPSA-1,THSA,RNCG,WPSA-2,apol,bpol,WPSA-3
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-InChI%3D1S%2FC8H5F3O%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-5H, 0.152994588017464, 13.9635887145996, 0.417248457670212, 0.554002642631531, 0.847005426883698, 5.49807643890381, -0.552724242210388, 217.353118896484, 174.979156494141, -0.0938637778162956, 0.445997327566147, -42.3739738464355, -216.8515625, 174.57536315918, 1.0, 85.2746429443359, 0.444968163967133, 391.426910400391, -36.8257904052734, 20.300235748291, -85.0778656005859, 0.0517424531280994, 57.1260261535645, 0.0, -14.4479465484619, 60.024715423584, 68.6499710083008, 332.307556152344, 0.298063278198242, 68.4915542602539, 19.8869647979736, 10.0330352783203, 7.96443748474121
-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%3F%3B%2Fm00.%2Fs1, , , , , , , , , , , , , , , 12.0, , , , , , , , , 2.0, , , , , , , 118.308479309082, 70.4315185546875, 
-InChI%3D1S%2FC12H8F2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H, 0.243622347712517, 5.10715866088867, 0.132301107048988, 0.487309068441391, 0.756377637386322, 1.01520872116089, -0.453873962163925, 224.262161254883, 235.94303894043, -0.0600461699068546, 0.512690961360931, 11.6808748245239, -208.875152587891, 219.754577636719, 0.0, 103.206611633301, 0.477514356374741, 428.629730224609, -27.6335601806641, 17.8528270721436, -96.1254272460938, 0.0387931913137436, 45.4863891601562, 0.0, -12.7171077728271, 112.116264343262, 108.582206726074, 348.088928222656, 0.332711577415466, 101.132194519043, 28.3703441619873, 13.0676555633545, 8.21596431732178
-InChI%3D1S%2FC9H11NO2.CH4O3S%2Fc1-2-12-9%2811%297-4-3-5-8%2810%296-7%3B1-5%282%2C3%294%2Fh3-6H%2C2%2C10H2%2C1H3%3B1H3%2C%28H%2C2%2C3%2C4%29, , , , , , , , , , , , , , , 6.0, , , , , , , , , 2.0, , , , , , , 35.6118965148926, 25.0881042480469, 
-InChI%3D1S%2FC12H10%2Fc1-3-9-4-2-6-11-8-7-10%285-1%2912%289%2911%2Fh1-6H%2C7-8H2, 0.0, 1.60462176799774, 0.124977208673954, 0.319367945194244, 1.0, 2.87810659408569, -0.159360483288765, 117.58650970459, 250.598556518555, -0.016288610175252, 0.680632054805756, 133.012054443359, -58.6741523742676, 125.045448303223, 0.0, 43.2935981750488, 0.339626610279083, 183.719604492188, -5.99722337722778, 12.7271595001221, -21.6029472351074, 0.0345672890543938, 18.7243824005127, 0.0, -2.20808815956116, 0.0, 92.2666473388672, 368.18505859375, 0.122065909206867, 46.039867401123, 27.7879295349121, 10.9320697784424, 4.68595027923584
-InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H, 0.0720060244202614, 14.3335371017456, 0.138233885169029, 0.33664134144783, 0.927993953227997, 0.908579349517822, -0.191882759332657, 110.775733947754, 218.285842895508, -0.0351893790066242, 0.663358628749847, 107.510108947754, -63.141242980957, 124.421112060547, 0.0, 36.4520378112793, 0.378108888864517, 187.562347412109, -11.5794725418091, 12.1408348083496, -20.7773571014404, 0.036895327270031, 23.7203063964844, 0.0, -3.81035947799683, 23.6944160461426, 71.8294830322266, 305.367156982422, 0.604933142662048, 40.9422073364258, 20.216344833374, 10.6616563796997, 3.99508213996887
-InChI%3D1S%2FC8H19N%2Fc1-2-3-4-5-6-7-8-9%2Fh2-9H2%2C1H3, 0.0575141608715057, 10.6628437042236, 0.166492521762848, 0.0957490652799606, 0.942485809326172, 2.82129716873169, -0.0679838731884956, 38.1960411071777, 360.722106933594, -0.0209140162914991, 0.904250919818878, 322.526092529297, -27.1200008392334, 256.120391845703, 1.0, 15.2370939254761, 0.642037391662598, 283.240386962891, -8.34298038482666, 13.6456832885742, -10.818660736084, 0.0342067256569862, 21.9886646270752, 1.0, -3.32816648483276, 22.9434432983398, 143.89860534668, 375.974700927734, 0.464744687080383, 102.171073913574, 27.8490676879883, 20.110933303833, 5.44351100921631
-InChI%3D1S%2FC2H6OS%2Fc1-4%282%293%2Fh1-2H3, 0.193485960364342, 47.6736183166504, 0.142093807458878, 0.193485960364342, 0.806514024734497, 3.62434720993042, -0.0502256564795971, 47.6736183166504, 198.719543457031, -0.0502256564795971, 0.806514024734497, 151.045928955078, -12.3752584457397, 51.5842056274414, 1.0, 11.7464542388916, 0.209357291460037, 63.9594612121582, -12.3752584457397, 6.30462789535522, -3.04917907714844, 0.025587672367692, 18.6798858642578, 0.0, -3.04917907714844, 47.6736183166504, 48.9631385803223, 198.719543457031, 1.0, 12.7099952697754, 11.2227582931519, 10.9372415542603, 1.55341720581055
-InChI%3D1S%2FC7H5NO4%2Fc9-4-5-3-6%2810%291-2-7%285%298%2811%2912%2Fh1-4%2C10H, 0.274649083614349, 12.7237176895142, 0.2204759567976, 0.579716682434082, 0.725350916385651, 5.3699951171875, -0.573261499404907, 221.767395019531, 160.77702331543, -0.101509511470795, 0.420283287763596, -60.990364074707, -219.297988891602, 158.986755371094, 1.0, 84.8358764648438, 0.415603399276733, 378.284759521484, -38.8318977355957, 18.6092758178711, -83.8912200927734, 0.048646055161953, 57.4411735534668, 1.0, -14.8549251556396, 105.065475463867, 61.5043525695801, 277.478942871094, 0.364716380834579, 60.8194961547852, 19.9619655609131, 7.68003511428833, 7.11887454986572
-InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2, 0.0661015510559082, 10.305700302124, 0.216230019927025, 0.320365995168686, 0.933898448944092, 6.52462720870972, -0.183866247534752, 94.7815856933594, 201.072494506836, -0.0340495370328426, 0.679634034633636, 106.290908813477, -54.3975830078125, 115.400657653809, 1.0, 28.0415210723877, 0.390059351921082, 169.798233032227, -10.0736951828003, 15.7821865081787, -16.0937461853027, 0.0533444955945015, 25.8558807373047, 1.0, -2.98034381866455, 19.5564136505127, 59.4881210327148, 276.297668457031, 0.526972889900208, 34.1417579650879, 16.3275508880615, 6.9924488067627, 4.66922426223755
-InChI%3D1S%2FC7H10%2Fc1-2-7-4-3-6%281%295-7%2Fh1-2%2C6-7H%2C3-5H2, 0.0, 2.39293766021729, 0.164927110075951, 0.223272368311882, 1.0, 4.84524154663086, -0.077410914003849, 70.979606628418, 246.926300048828, -0.00976977124810219, 0.776727616786957, 175.946701049805, -24.6093864440918, 85.6119842529297, 0.0, 22.5648365020752, 0.269299745559692, 110.221366882324, -3.10586810112, 8.85196113586426, -7.8234691619873, 0.0278445929288864, 11.9578285217285, 0.0, -0.987373828887939, 0.0, 78.4993286132812, 317.905914306641, 0.243879184126854, 27.2165546417236, 18.9879302978516, 10.9320697784424, 2.81409072875977
-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, , , , , , , , , , , , , , , 2.0, , , , , , , , , 1.0, , , , , , , 30.6483097076416, 16.6116905212402, 
-InChI%3D1S%2FC9H13BrN2O2%2Fc1-4-5%282%2912-8%2813%297%2810%296%283%2911-9%2812%2914%2Fh5H%2C4H2%2C1-3H3%2C%28H%2C11%2C14%29, 0.157942652702332, 4.85037422180176, 0.157146871089935, 0.325396567583084, 0.842057347297668, 0.296523451805115, -0.470897734165192, 135.082565307617, 280.049560546875, -0.0609255209565163, 0.674603462219238, 144.966995239258, -195.484771728516, 405.273803710938, 4.0, 56.0771102905273, 0.976252615451813, 600.758544921875, -25.2921409606934, 12.6874513626099, -81.1520080566406, 0.0305624417960644, 37.9795913696289, 2.0, -10.4995803833008, 65.5670700073242, 116.25756072998, 349.565032958984, 0.251945078372955, 168.242172241211, 34.0294799804688, 23.4725189208984, 5.26696825027466
-InChI%3D1S%2FC9H12O%2Fc1-6-4-5-7%282%299%2810%298%286%293%2Fh4-5%2C10H%2C1-3H3, 0.120426528155804, 15.4223852157593, 0.324218541383743, 0.269954919815063, 0.879573464393616, 4.45404672622681, -0.181356564164162, 95.3374786376953, 257.823272705078, -0.0372386649250984, 0.730045080184937, 162.485794067383, -64.0480270385742, 173.206497192383, 0.0, 33.6694564819336, 0.490446627140045, 237.254531860352, -13.1512355804443, 11.585165977478, -22.6192493438721, 0.0328042283654213, 24.736400604248, 1.0, -4.64450025558472, 42.5299224853516, 91.0530624389648, 310.630828857422, 0.535645842552185, 61.1697387695312, 24.6435165405273, 13.118483543396, 4.09142589569092
-InChI%3D1S%2FC7H9N%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5H%2C8H2%2C1H3, 0.0582663230597973, 10.0125293731689, 0.208197668194771, 0.289577931165695, 0.941733658313751, 4.95579671859741, -0.172608107328415, 98.0717163085938, 240.599533081055, -0.0285832416266203, 0.710422039031982, 142.527801513672, -58.4574012756348, 143.413650512695, 1.0, 33.2140731811523, 0.423459768295288, 201.871047973633, -9.68032264709473, 14.4298057556152, -19.7978420257568, 0.0426071174442768, 24.11012840271, 1.0, -3.2784469127655, 19.7331295013428, 81.4841384887695, 318.938110351562, 0.507396936416626, 48.5700798034668, 19.4211368560791, 9.17886257171631, 4.88696050643921
-InChI%3D1S%2FC6H4N2O5%2Fc9-6-3-4%287%2810%2911%291-2-5%286%298%2812%2913%2Fh1-3%2C9H, 0.170588567852974, 11.8563528060913, 0.236822351813316, 0.607069909572601, 0.829411447048187, 9.08965682983398, -0.558534443378448, 245.029769897461, 158.597152709961, -0.0887472927570343, 0.392930060625076, -86.4326095581055, -225.439529418945, 145.917236328125, 0.0, 98.9006042480469, 0.361515134572983, 371.356781005859, -35.8207969665527, 16.6311721801758, -90.9934616088867, 0.041204322129488, 52.4519691467285, 1.0, -14.4582376480103, 68.8541412353516, 64.0140762329102, 334.772766113281, 0.38908514380455, 58.896125793457, 19.4371719360352, 6.88482809066772, 6.7127890586853
-InChI%3D1S%2FC11H16O%2Fc1-4-11%282%2C3%299-5-7-10%2812%298-6-9%2Fh5-8%2C12H%2C4H2%2C1-3H3, 0.141972109675407, 15.5996026992798, 0.268674403429031, 0.256648868322372, 0.858027875423431, 5.79503726959229, -0.208038151264191, 102.417526245117, 296.639465332031, -0.0398037508130074, 0.743351101875305, 194.221923828125, -83.0190811157227, 240.454299926758, 0.0, 40.8704261779785, 0.60255628824234, 323.473388671875, -15.8839635848999, 14.4083242416382, -33.1293411254883, 0.0361059308052063, 30.2922878265381, 1.0, -6.33860683441162, 56.654956817627, 118.376045227051, 342.402008056641, 0.444610953330994, 95.954963684082, 30.8306884765625, 17.4913120269775, 5.74974250793457
-InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H, 0.0, 14.4848365783691, 0.354643374681473, 0.867940366268158, 1.0, 0.0, -0.489829897880554, 240.771667480469, 36.6341133117676, -0.122457474470139, 0.132059663534164, -204.137542724609, -135.881637573242, 20.6747875213623, 0.0, 66.7914505004883, 0.0745290517807007, 156.556427001953, -33.9704093933105, 3.00521731376648, -37.6943511962891, 0.0108332904055715, 36.9756278991699, 0.0, -9.42358779907227, 0.0, 10.1625137329102, 277.40576171875, 0.25, 5.73530578613281, 13.5735864639282, 3.86641407012939, 0.83366459608078
-InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3, 0.211869403719902, 32.2230758666992, 0.478992462158203, 0.279175788164139, 0.788130581378937, 13.3195419311523, -0.122227624058723, 83.5862503051758, 215.817398071289, -0.0538201928138733, 0.720824182033539, 132.231155395508, -36.5953979492188, 94.4883041381836, 1.0, 25.026029586792, 0.315588355064392, 131.083709716797, -16.1139621734619, 12.4927682876587, -10.9567956924438, 0.041725505143404, 28.6067314147949, 1.0, -4.8245792388916, 63.4344749450684, 64.6165161132812, 235.969177246094, 0.904455125331879, 28.2901439666748, 8.32275772094727, 6.559241771698, 3.74038052558899
-InChI%3D1S%2FC6H4Cl3N%2Fc7-3-1-2-4%2810%296%289%295%283%298%2Fh1-2H%2C10H2, 0.0936516225337982, 14.4083023071289, 0.164421781897545, 0.623807728290558, 0.906348407268524, 4.97952747344971, -0.470357686281204, 240.713897705078, 145.164459228516, -0.0893044322729111, 0.376192271709442, -95.549446105957, -181.500854492188, 109.455551147461, 1.0, 92.8862838745117, 0.283652991056442, 290.956390380859, -34.4606475830078, 13.4767160415649, -70.0372467041016, 0.0349247790873051, 47.9373626708984, 1.0, -13.2976179122925, 36.1381340026855, 56.0158233642578, 349.740234375, 0.398700773715973, 42.2365264892578, 20.8671722412109, 4.97282791137695, 5.20037269592285
-InChI%3D1S%2FC11H8O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6H%2C1H3, 0.206323057413101, 14.1049156188965, 0.224318832159042, 0.404439687728882, 0.793676972389221, 1.43912303447723, -0.341221630573273, 145.926544189453, 214.885070800781, -0.0685699433088303, 0.595560312271118, 68.9585342407227, -123.116722106934, 181.296325683594, 2.0, 52.6519889831543, 0.502468109130859, 304.413055419922, -24.7408313751221, 11.9618835449219, -44.4219436645508, 0.0331527143716812, 36.7027168273926, 0.0, -8.92677974700928, 74.4437484741211, 77.5330276489258, 286.367858886719, 0.342278242111206, 65.413818359375, 26.2983436584473, 10.6616563796997, 4.31598663330078
-InChI%3D1S%2FC6H4N2O4%2Fc9-7%2810%295-1-2-6%284-3-5%298%2811%2912%2Fh1-4H, 0.0, 9.14176559448242, 0.203030183911324, 0.606829166412354, 1.0, 1.40470564365387, -0.378241419792175, 236.610137939453, 153.302124023438, -0.0638893991708755, 0.393170833587646, -83.3079986572266, -147.48095703125, 95.5544281005859, 0.0, 92.257194519043, 0.245066478848457, 243.035385131836, -24.9112606048584, 10.2876482009888, -57.5046348571777, 0.0263845212757587, 35.1989097595215, 0.0, -9.71320533752441, 0.0, 59.7743797302246, 389.912261962891, 0.203294321894646, 37.2578430175781, 18.6351718902588, 6.88482809066772, 4.01128005981445
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-InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3, 0.0, 31.5396366119385, 0.199925646185875, 0.442828267812729, 1.0, 2.70986580848694, -0.168812036514282, 145.494186401367, 183.0625, -0.0725647211074829, 0.557171702384949, 37.5683097839355, -55.4643249511719, 69.7858657836914, 0.0, 47.8030891418457, 0.212401285767555, 125.250190734863, -23.841625213623, 8.34721660614014, -18.2231750488281, 0.0254057105630636, 32.1888427734375, 0.0, -7.83332538604736, 0.0, 60.146411895752, 328.556701660156, 0.449470728635788, 22.9286136627197, 13.64075756073, 7.39924192428589, 2.74253368377686
-InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H, 0.0, 2.26430296897888, 0.16666667163372, 0.354385256767273, 1.0, 5.38303184509277, -0.13131707906723, 91.7042694091797, 167.065704345703, -0.0218861792236567, 0.645614743232727, 75.361442565918, -33.9809150695801, 61.9060173034668, 0.0, 23.7303104400635, 0.239231839776039, 95.8869323730469, -5.66348600387573, 10.3176698684692, -8.79324054718018, 0.0398719720542431, 15.9811553955078, 0.0, -1.46554017066956, 0.0, 43.2315902709961, 258.769989013672, 0.16666667163372, 16.0194187164307, 14.5607576370239, 6.559241771698, 2.66990303993225
-InChI%3D1S%2FC8H14O%2Fc1-3-5-6-7-8%289%294-2%2Fh2%2C8-9H%2C3%2C5-7H2%2C1H3, 0.113181635737419, 13.073935508728, 0.260540932416916, 0.283778160810471, 0.88681834936142, 5.14698314666748, -0.230343893170357, 119.579139709473, 301.803314208984, -0.0459318943321705, 0.716221868991852, 182.224182128906, -97.062873840332, 244.974975585938, 1.0, 50.3885498046875, 0.581360161304474, 342.037841796875, -19.3548946380615, 15.3829650878906, -40.9005928039551, 0.0365059450268745, 34.7378616333008, 1.0, -8.15581321716309, 47.692756652832, 127.174621582031, 373.689697265625, 0.46796640753746, 103.228157043457, 24.2171020507812, 15.3048982620239, 6.48211145401001
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-InChI%3D1S%2FC9H10O4%2Fc1-12-6-3-8%2811%297%285-10%299%284-6%2913-2%2Fh3-5%2C11H%2C1-2H3, 0.335709273815155, 10.6367044448853, 0.160900101065636, 0.328800320625305, 0.664290726184845, 3.47045373916626, -0.445596933364868, 132.97509765625, 271.449981689453, -0.0939815565943718, 0.671199679374695, 138.474868774414, -180.210571289062, 367.874572753906, 1.0, 53.7784614562988, 0.909623563289642, 548.085144042969, -38.0084953308105, 21.3350944519043, -72.8816680908203, 0.052754133939743, 59.3435897827148, 1.0, -15.3715877532959, 135.769241333008, 109.78116607666, 268.655822753906, 0.265454649925232, 148.777694702148, 25.7159309387207, 15.7220697402954, 8.62844657897949
-InChI%3D1S%2FC7H7ClO%2Fc1-5-4-6%289%292-3-7%285%298%2Fh2-4%2C9H%2C1H3, 0.15908370912075, 19.6672668457031, 0.338468432426453, 0.416347295045853, 0.840916275978088, 7.30791234970093, -0.267897009849548, 148.407440185547, 208.04362487793, -0.0632160976529121, 0.583652675151825, 59.6361923217773, -95.4921798706055, 133.864852905273, 0.0, 52.8999900817871, 0.375549018383026, 229.357025146484, -22.533447265625, 14.0864753723145, -34.0382881164551, 0.0395186766982079, 36.6199226379395, 1.0, -8.03207111358643, 56.7055587768555, 74.1573715209961, 299.745513916016, 0.560090601444244, 47.7162704467773, 19.9695510864258, 8.07244873046875, 5.02113914489746
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-InChI%3D1S%2FC6H12N2%2Fc1-2-8-5-3-7%281%294-6-8%2Fh1-6H2, 0.0846046581864357, 5.90521240234375, 0.0734926536679268, 0.0846046581864357, 0.915395319461823, 1.55589830875397, -0.0505425930023193, 24.150993347168, 261.306030273438, -0.0252712965011597, 0.915395319461823, 237.155029296875, -14.4277381896973, 156.103515625, 2.0, 6.89407062530518, 0.546854674816132, 170.53125, -7.21386909484863, 10.8537473678589, -4.11849927902222, 0.0380223542451859, 18.0676174163818, 0.0, -2.05924963951111, 24.150993347168, 74.5916366577148, 261.306030273438, 0.5, 44.5608444213867, 20.7615165710449, 17.078483581543, 3.09827852249146
-InChI%3D1S%2FC12H10O3%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8%2C13-14H, 0.317272573709488, 10.0496463775635, 0.172388166189194, 0.430634021759033, 0.68272739648819, 6.6127462387085, -0.544040083885193, 200.963241577148, 265.705047607422, -0.0733429864048958, 0.569365978240967, 64.7417907714844, -253.886245727539, 335.677581787109, 0.0, 93.7831726074219, 0.719306588172913, 589.563842773438, -34.2268447875977, 26.6790180206299, -118.480659484863, 0.0571691244840622, 60.9058647155762, 2.0, -15.972583770752, 148.061050415039, 123.996116638184, 318.607238769531, 0.285271525382996, 156.650085449219, 30.1939296722412, 12.8480701446533, 12.4502515792847
-InChI%3D1S%2FC6H14N2O%2Fc9-6-5-8-3-1-7-2-4-8%2Fh7%2C9H%2C1-6H2, 0.246177941560745, 9.1292200088501, 0.208441555500031, 0.128995329141617, 0.753822028636932, 8.41535568237305, -0.129826530814171, 44.4425582885742, 300.085845947266, -0.0457001477479935, 0.871004641056061, 255.643295288086, -44.7289276123047, 302.019470214844, 3.0, 15.3117227554321, 0.876617074012756, 346.748413085938, -15.7449989318848, 21.3805389404297, -15.4103860855103, 0.0620574094355106, 37.1255378723145, 2.0, -5.42459917068481, 84.8152923583984, 103.38809967041, 259.713104248047, 0.391884118318558, 104.054290771484, 22.897102355957, 17.9448986053467, 7.36620330810547
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-InChI%3D1S%2FC7H7NO2%2Fc8-7%2810%295-3-1-2-4-6%285%299%2Fh1-4%2C9H%2C%28H2%2C8%2C10%29, 0.388221740722656, 6.63808298110962, 0.185684844851494, 0.443962424993515, 0.611778259277344, 3.2368905544281, -0.524715721607208, 154.453369140625, 193.444030761719, -0.0969811677932739, 0.556037545204163, 38.990650177002, -182.547241210938, 228.629989624023, 2.0, 53.7339286804199, 0.657176494598389, 411.177215576172, -33.7394943237305, 23.694803237915, -63.5077095031738, 0.0681085959076881, 57.4342994689941, 3.0, -11.7378826141357, 135.061340332031, 67.2986755371094, 212.836059570312, 0.304292470216751, 79.5397796630859, 19.6915512084961, 7.65244913101196, 8.24336051940918
-InChI%3D1S%2FC5H10O%2Fc1-4%282%295%283%296%2Fh4H%2C1-3H3, 0.143908843398094, 32.53564453125, 0.317218124866486, 0.268642663955688, 0.856091141700745, 0.418995469808578, -0.111862495541573, 84.5293121337891, 230.1240234375, -0.0484983809292316, 0.731357336044312, 145.594711303711, -35.1979064941406, 95.823371887207, 1.0, 26.5974292755127, 0.30453634262085, 131.021286010742, -15.2601766586304, 6.28786754608154, -11.075138092041, 0.0199834778904915, 21.5480442047119, 0.0, -4.80166530609131, 45.2813949584961, 72.4092864990234, 269.371948242188, 0.718521237373352, 30.15114402771, 16.2699298858643, 11.8900699615479, 1.9784984588623
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-InChI%3D1S%2FC6H5ClO2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3%2C8-9H, 0.365718394517899, 10.887809753418, 0.238836407661438, 0.524602353572845, 0.634281635284424, 5.02465677261353, -0.478630602359772, 174.094375610352, 157.765319824219, -0.0999496430158615, 0.475397646427155, -16.3290576934814, -158.83821105957, 143.940093994141, 0.0, 57.7749061584473, 0.4337377846241, 302.778289794922, -33.1692581176758, 19.9912967681885, -52.7119979858398, 0.0602402091026306, 53.1605567932129, 2.0, -11.0075397491455, 121.367195129395, 52.3559494018555, 210.492492675781, 0.392114788293839, 47.7679138183594, 17.6779651641846, 5.88603496551514, 6.63430595397949
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-InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2, 0.0, 36.5765151977539, 0.198054999113083, 0.613016784191132, 1.0, 0.336342394351959, -0.210434973239899, 146.306060791016, 92.359619140625, -0.105217486619949, 0.386983245611191, -53.9464454650879, -50.2236061096191, 31.7049961090088, 0.0, 34.9182357788086, 0.13284270465374, 81.9286041259766, -25.1118030548096, 4.83842754364014, -11.9866514205933, 0.0202728249132633, 29.950231552124, 0.0, -5.99332571029663, 0.0, 22.0430717468262, 238.665679931641, 0.5, 7.56689453125, 10.5471715927124, 5.21282815933228, 1.15476655960083
-InChI%3D1S%2FC7H4ClFO%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-4H, 0.226624295115471, 15.8275833129883, 0.205633968114853, 0.544648349285126, 0.773375689983368, 8.11597347259521, -0.409490883350372, 190.088623046875, 158.923034667969, -0.0873180478811264, 0.455351650714874, -31.1655979156494, -142.917098999023, 119.485412597656, 1.0, 66.343147277832, 0.342353641986847, 262.402496337891, -30.4750175476074, 15.5891189575195, -49.8797302246094, 0.0446664728224277, 46.064136505127, 0.0, -10.6361360549927, 79.0945205688477, 55.4659881591797, 269.917144775391, 0.395281612873077, 41.7018013000488, 18.5261726379395, 6.95382785797119, 5.4407844543457
-InChI%3D1S%2FC10H18O4%2Fc1-3-13-9%2811%297-5-6-8-10%2812%2914-4-2%2Fh3-8H2%2C1-2H3, 0.183583483099937, 2.54565262794495, 0.196231469511986, 0.241832435131073, 0.816416501998901, 0.629463970661163, -0.322195112705231, 116.986686706543, 366.764312744141, -0.0496880896389484, 0.758167564868927, 249.777633666992, -155.862213134766, 488.642761230469, 4.0, 56.5924263000488, 1.01011216640472, 644.505004882812, -24.0366630554199, 14.2031650543213, -75.3984985351562, 0.0293604880571365, 38.2398300170898, 0.0, -11.6277599334717, 88.8086929321289, 177.422607421875, 394.942321777344, 0.237101957201958, 236.381439208984, 32.8102722167969, 25.4257259368896, 6.87079572677612
-InChI%3D1S%2FC9H7NO2%2Fc1-12-9%2811%298-4-2-7%286-10%293-5-8%2Fh2-5H%2C1H3, 0.27482470870018, 4.66385221481323, 0.289427250623703, 0.366016626358032, 0.725175261497498, 2.54858708381653, -0.370469450950623, 165.102752685547, 285.977172851562, -0.0726863369345665, 0.633983373641968, 120.87442779541, -167.111328125, 289.456268310547, 3.0, 74.4745407104492, 0.641696214675903, 456.567596435547, -32.7873497009277, 24.0559024810791, -75.3805694580078, 0.0533295795321465, 56.8432502746582, 0.0, -14.7897157669067, 123.967918395996, 128.998565673828, 327.112030029297, 0.311341047286987, 130.567916870117, 23.2115516662598, 11.1864490509033, 10.8511352539062
-InChI%3D1S%2FC6H15N3%2Fc7-1-4-9-5-2-8-3-6-9%2Fh8H%2C1-7H2, 0.113192059099674, 6.83229064941406, 0.129669025540352, 0.113192059099674, 0.886807918548584, 1.76702332496643, -0.10652007162571, 39.8196868896484, 311.969024658203, -0.0361516624689102, 0.886807918548584, 272.149322509766, -37.4725608825684, 293.580352783203, 3.0, 14.0081157684326, 0.834536015987396, 331.052917480469, -12.7177457809448, 19.14528465271, -13.1824235916138, 0.0544226802885532, 31.8630294799805, 2.0, -4.47395944595337, 39.8196868896484, 109.747177124023, 311.969024658203, 0.349363148212433, 103.278251647949, 23.8618946075439, 18.3781051635742, 6.73509454727173
-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, 0.26803532242775, 8.51701068878174, 0.195346176624298, 0.392101883888245, 0.731964707374573, 3.27441811561584, -0.603822648525238, 200.059310913086, 310.163452148438, -0.0678797960281372, 0.607898116111755, 110.104148864746, -308.084045410156, 477.640441894531, 2.0, 102.074806213379, 0.936141014099121, 785.724487304688, -34.6338157653809, 30.3822269439697, -157.191497802734, 0.059546984732151, 65.0160446166992, 2.0, -17.6709613800049, 136.757720947266, 158.252456665039, 373.465026855469, 0.233461573719978, 243.703033447266, 33.7207221984863, 14.2392768859863, 15.5017032623291
-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, 0.0749377682805061, 2.57346510887146, 0.162676706910133, 0.289522290229797, 0.925062239170074, 0.0306957773864269, -0.408856421709061, 145.526092529297, 357.116027832031, -0.0466621704399586, 0.710477709770203, 211.589935302734, -205.508453369141, 504.310668945312, 3.0, 73.1475448608398, 1.00331950187683, 709.819152832031, -23.4543724060059, 15.602858543396, -103.297210693359, 0.0310416854918003, 39.0572319030762, 0.0, -11.7891550064087, 37.666877746582, 179.501556396484, 464.975250244141, 0.260415077209473, 253.48779296875, 42.8598594665527, 27.1381397247314, 7.84265422821045
-InChI%3D1S%2FC3H7Br%2Fc1-2-3-4%2Fh2-3H2%2C1H3, 0.0, 47.2984580993652, 0.184007868170738, 0.345160961151123, 1.0, 4.31079816818237, -0.0855456292629242, 116.825912475586, 221.642013549805, -0.0407496951520443, 0.654839038848877, 104.816101074219, -28.9544525146484, 54.9323577880859, 0.0, 39.5418243408203, 0.162297084927559, 83.8868103027344, -13.7924642562866, 6.65795755386353, -9.8001537322998, 0.0196708682924509, 20.4504222869873, 0.0, -4.66830682754517, 0.0, 75.0187149047852, 338.467926025391, 0.578054189682007, 18.5928421020508, 12.9975509643555, 8.94244861602783, 2.25350522994995
-InChI%3D1S%2FC6H15NO%2Fc1-3-7%284-2%295-6-8%2Fh8H%2C3-6H2%2C1-2H3, 0.177639350295067, 17.7745170593262, 0.259353280067444, 0.198398798704147, 0.822360634803772, 7.23489427566528, -0.160480037331581, 74.8293304443359, 302.3369140625, -0.0449579060077667, 0.80160117149353, 227.507598876953, -60.5276565551758, 244.553100585938, 2.0, 28.2231006622314, 0.648396015167236, 305.080749511719, -16.9566040039062, 15.6349143981934, -22.8289890289307, 0.0414536409080029, 32.5915184020996, 1.0, -6.39545917510986, 66.9995651245117, 114.031288146973, 310.166687011719, 0.487601637840271, 92.237174987793, 22.4638957977295, 18.3781051635742, 5.89696216583252
-InChI%3D1S%2FC4H8O%2Fc1-3-4%282%295%2Fh3H2%2C1-2H3, 0.13823276758194, 37.8693466186523, 0.355480760335922, 0.278025954961777, 0.86176723241806, 2.60479807853699, -0.101128794252872, 92.5059204101562, 240.218124389648, -0.0454890616238117, 0.721974015235901, 147.712203979492, -33.6479835510254, 87.3766250610352, 1.0, 30.7789440155029, 0.262609869241714, 121.024604797363, -15.1353044509888, 7.56244897842407, -11.1954927444458, 0.0227288920432329, 22.69775390625, 0.0, -5.03587961196899, 45.9933662414551, 79.9263458251953, 286.730682373047, 0.823365390300751, 29.072301864624, 13.1763439178467, 9.70365619659424, 2.51620841026306
-InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3, 0.176151156425476, 14.1949462890625, 0.483215779066086, 0.287025660276413, 0.823848843574524, 14.0569858551025, -0.146987065672874, 91.8097457885742, 228.056259155273, -0.0387004837393761, 0.712974369525909, 136.246505737305, -47.0161628723145, 116.788581848145, 0.0, 29.3668174743652, 0.365117222070694, 163.804748535156, -12.3789701461792, 12.6721038818359, -15.038872718811, 0.0396169126033783, 25.0510730743408, 1.0, -3.95961165428162, 56.3447685241699, 72.9474487304688, 263.521240234375, 0.520833790302277, 37.3566970825195, 14.9431371688843, 9.83886337280273, 4.05337524414062
-InChI%3D1S%2FC13H10O%2Fc14-13%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H, 0.07428939640522, 11.6105470657349, 0.224007546901703, 0.424826562404633, 0.925710618495941, 4.71997261047363, -0.36568808555603, 198.68603515625, 269.001403808594, -0.0420556701719761, 0.575173437595367, 70.3153533935547, -171.027709960938, 231.554733276367, 1.0, 92.9229583740234, 0.495105743408203, 402.582458496094, -19.668909072876, 19.2918910980225, -79.9875106811523, 0.0412495397031307, 38.9608001708984, 0.0, -9.19890117645264, 34.744213104248, 125.808570861816, 432.943206787109, 0.33417209982872, 108.29524230957, 30.3499298095703, 11.8900699615479, 9.02257442474365
-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, 0.112535163760185, 2.62930250167847, 0.249823182821274, 0.285180747509003, 0.887464821338654, 0.385345488786697, -0.366289407014847, 136.412338256836, 341.924102783203, -0.0389582067728043, 0.714819252490997, 205.511749267578, -175.209564208984, 439.171203613281, 3.0, 65.2509918212891, 0.918121993541718, 614.380798339844, -18.6351299285889, 15.3307151794434, -83.8091201782227, 0.0320500694215298, 33.9658432006836, 0.0, -8.91386127471924, 53.8296699523926, 163.554748535156, 424.506744384766, 0.237950250506401, 210.071578979492, 36.7314796447754, 30.8545188903809, 7.33323955535889
-InChI%3D1S%2FC9H12O%2Fc1-2-3-8-4-6-9%2810%297-5-8%2Fh4-7%2C10H%2C2-3H2%2C1H3, 0.192835032939911, 25.0016288757324, 0.298709332942963, 0.288640111684799, 0.807164967060089, 6.48911762237549, -0.210444614291191, 108.223838806152, 266.720031738281, -0.0555259250104427, 0.711359918117523, 158.496200561523, -78.904914855957, 194.462905883789, 0.0, 40.5778656005859, 0.518645346164703, 273.367828369141, -20.8191051483154, 14.6896505355835, -29.5849151611328, 0.0391782633960247, 35.5087547302246, 1.0, -7.80599641799927, 72.3023147583008, 100.005043029785, 302.641571044922, 0.49431374669075, 72.9126739501953, 24.6435165405273, 13.118483543396, 5.50779438018799
-InChI%3D1S%2FC7H5ClO%2Fc8-7-3-1-6%285-9%292-4-7%2Fh1-5H, 0.140995696187019, 23.5231037139893, 0.249291017651558, 0.502615332603455, 0.859004318714142, 11.1639699935913, -0.301831960678101, 169.335739135742, 167.573471069336, -0.0761373341083527, 0.497384637594223, -1.76226985454559, -101.689964294434, 100.631683349609, 1.0, 57.0507698059082, 0.298690795898438, 202.321640014648, -25.6513690948486, 15.342456817627, -34.2602844238281, 0.0455388464033604, 40.9938278198242, 0.0, -8.64218235015869, 47.5027465820312, 56.4570426940918, 289.406463623047, 0.495194613933563, 33.9037399291992, 18.63596534729, 6.84403514862061, 5.1690149307251
-InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3, 0.066587783396244, 16.9539222717285, 0.123332180082798, 0.114905804395676, 0.933412194252014, 0.0, -0.0559989437460899, 37.6934089660645, 290.344055175781, -0.0269444268196821, 0.885094225406647, 252.650650024414, -18.3697528839111, 141.498168945312, 1.0, 12.3648509979248, 0.431347578763962, 159.867919921875, -8.83878135681152, 10.098219871521, -6.02596712112427, 0.0307837408035994, 18.9370021820068, 0.0, -2.8994517326355, 21.8432884216309, 95.2437286376953, 306.194183349609, 0.77616161108017, 46.4167022705078, 17.603515625, 15.0344839096069, 3.3125946521759
-InChI%3D1S%2FC6H7ClN.HI%2Fc1-8-5-3-2-4-6%288%297%3B%2Fh2-5H%2C1H3%3B1H%2Fq%2B1%3B%2Fp-1, , , , , , , , , , , , , , , 0.0, , , , , , , , , 1.0, , , , , , , 24.5243434906006, 10.4856557846069, 
-InChI%3D1S%2FC7H5NO3%2Fc9-5-6-3-1-2-4-7%286%298%2810%2911%2Fh1-5H, 0.132819727063179, 18.3230133056641, 0.202089697122574, 0.532332599163055, 0.867180287837982, 8.25572776794434, -0.400446474552155, 185.822189331055, 163.249389648438, -0.0790187269449234, 0.467667400836945, -22.5727939605713, -139.784484863281, 122.804130554199, 1.0, 64.8652420043945, 0.351802140474319, 262.588623046875, -27.5831928253174, 14.7625093460083, -48.7947883605957, 0.0422907806932926, 42.345703125, 0.0, -9.62850856781006, 46.3635902404785, 56.985725402832, 302.707977294922, 0.39520263671875, 42.867431640625, 19.1599655151367, 7.68003511428833, 5.15317249298096
-InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2, 0.0957488939166069, 23.5254383087158, 0.129341155290604, 0.189398676156998, 0.904251098632812, 3.43927240371704, -0.0824676752090454, 53.235050201416, 227.838973999023, -0.0390098094940186, 0.81060129404068, 174.603912353516, -23.1795196533203, 99.2052841186523, 1.0, 14.9629888534546, 0.352950751781464, 122.384803771973, -10.9646434783936, 9.83354187011719, -6.51516103744507, 0.0349855944514275, 20.7981853485107, 0.0, -3.08187627792358, 26.9125270843506, 64.0396118164062, 254.161483764648, 0.874144494533539, 27.8840274810791, 13.1763439178467, 10.6616563796997, 2.76395320892334
-InChI%3D1S%2FC10H18O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-7%2C10H2%2C1H3, 0.114963233470917, 16.749584197998, 0.239683777093887, 0.233758240938187, 0.885036766529083, 5.67875909805298, -0.205861181020737, 126.465301513672, 414.543640136719, -0.0387552343308926, 0.766241729259491, 288.078338623047, -111.372741699219, 365.071380615234, 1.0, 68.4188613891602, 0.674797296524048, 476.444122314453, -20.9669284820557, 18.3351268768311, -60.2536506652832, 0.0338906161487103, 39.3020553588867, 1.0, -11.3432960510254, 62.1961402893066, 224.271835327148, 478.812805175781, 0.435015439987183, 197.506896972656, 30.4042739868164, 19.6777267456055, 9.91946792602539
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-InChI%3D1S%2FC8H8N2O%2Fc1-5-3-6%282%2910-8%2811%297%285%294-9%2Fh3H%2C1-2H3%2C%28H%2C10%2C11%29, 0.357656180858612, 11.7619934082031, 0.230767548084259, 0.382936358451843, 0.642343819141388, 4.88553380966187, -0.364234834909439, 133.296096801758, 214.793334960938, -0.0858032554388046, 0.617063641548157, 81.4972381591797, -126.78630065918, 204.303451538086, 2.0, 46.3989639282227, 0.586928069591522, 331.089752197266, -29.867208480835, 13.9680395126343, -44.1329727172852, 0.040127731859684, 43.8352470397949, 1.0, -10.3964595794678, 124.496337890625, 74.7672958374023, 223.593109130859, 0.361336678266525, 71.1158752441406, 22.4163436889648, 10.7256555557251, 4.86212682723999
-InChI%3D1S%2FC7H6Cl2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4H%2C1H3, 0.0, 20.1429843902588, 0.208355635404587, 0.512837886810303, 1.0, 6.19211626052856, -0.239959985017776, 189.651702880859, 180.156600952148, -0.0537362135946751, 0.487162113189697, -9.49510383605957, -88.7391891479492, 84.2963714599609, 0.0, 70.1347732543945, 0.227946147322655, 173.035568237305, -19.8720970153809, 9.74486446380615, -32.8164901733398, 0.0263511259108782, 29.6169624328613, 0.0, -7.34886598587036, 0.0, 66.623405456543, 369.808288574219, 0.273102194070816, 31.1734981536865, 20.680757522583, 7.39924192428589, 3.60373187065125
-InChI%3D1S%2FC6H3Br3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, 0.160595014691353, 14.4973621368408, 0.316302448511124, 0.690869569778442, 0.839405000209808, 12.4691133499146, -0.474939793348312, 289.775238037109, 129.660308837891, -0.0805068463087082, 0.30913046002388, -160.114944458008, -199.206634521484, 89.1352615356445, 0.0, 121.542037963867, 0.212512403726578, 288.341888427734, -33.7674331665039, 15.6625595092773, -83.5543441772461, 0.0373419933021069, 49.4299926757812, 1.0, -14.1632614135742, 67.3592529296875, 54.3841400146484, 352.076293945312, 0.518916308879852, 37.3864974975586, 22.512378692627, 7.14962100982666, 6.56943416595459
-InChI%3D1S%2FC2H3Cl3%2Fc1-2%283%2C4%295%2Fh1H3, 0.111370138823986, 25.478401184082, 0.755373358726501, 0.641016960144043, 0.888629853725433, 29.124210357666, -0.224861204624176, 221.918380737305, 124.278984069824, -0.0720009133219719, 0.358983039855957, -97.6393890380859, -77.8463516235352, 43.5956039428711, 0.0, 76.8275527954102, 0.125927031040192, 121.441955566406, -24.9265251159668, 12.6684532165527, -26.9502010345459, 0.0365931540727615, 37.5949783325195, 0.0, -8.62949752807617, 38.5560455322266, 43.0250549316406, 307.641296386719, 0.332887500524521, 15.0926828384399, 12.0603790283203, 4.53962087631226, 4.38578510284424
-InChI%3D1S%2FC6H6ClN%2Fc1-5-3-2-4-6%287%298-5%2Fh2-4H%2C1H3, 0.0522172302007675, 7.71903657913208, 0.335770219564438, 0.459123939275742, 0.947782754898071, 1.76343989372253, -0.220460221171379, 139.32194519043, 164.129760742188, -0.0444511398673058, 0.540876030921936, 24.8078155517578, -66.8990325927734, 78.8111419677734, 1.0, 42.2774810791016, 0.259715616703033, 145.710174560547, -13.4887742996216, 7.97662019729614, -20.3006248474121, 0.0262862909585238, 21.4653949737549, 0.0, -4.09319162368774, 15.8454074859619, 49.8054542541504, 287.606292724609, 0.487146615982056, 23.9153747558594, 17.8407573699951, 8.29924201965332, 2.42051887512207
-InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296, 0.044240977615118, 16.4284343719482, 0.5, 0.955759048461914, 0.955759048461914, 2.64168667793274, -0.40477529168129, 264.966125488281, 12.2649736404419, -0.101193822920322, 0.044240977615118, -252.701141357422, -112.216293334961, 5.1943621635437, 0.0, 73.4568405151367, 0.0187365785241127, 117.410652160645, -28.0540733337402, 2.59718108177185, -31.1098442077637, 0.00936828926205635, 30.651252746582, 0.0, -7.77746105194092, 12.2649736404419, 3.4002320766449, 264.966125488281, 0.25, 1.44003856182098, 12.2399997711182, 1.67999994754791, 0.720019280910492
-InChI%3D1S%2FC6H14O%2Fc1-4-6%283%2C7%295-2%2Fh7H%2C4-5H2%2C1-3H3, 0.102843351662159, 10.628565788269, 0.347709894180298, 0.204545676708221, 0.897156655788422, 6.58439922332764, -0.123830586671829, 70.5150756835938, 274.224914550781, -0.0268735028803349, 0.795454323291779, 203.709838867188, -42.6893539428711, 166.013931274414, 1.0, 24.3093662261963, 0.481562703847885, 208.703277587891, -9.26437091827393, 10.4305715560913, -14.7167272567749, 0.0302563421428204, 19.6949424743652, 1.0, -3.19379901885986, 35.454216003418, 94.5362930297852, 309.285766601562, 0.643463611602783, 57.2316398620605, 20.6971015930176, 15.3048982620239, 3.59583497047424
-InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H, 0.0, 1.73939263820648, 0.125589475035667, 0.418697983026505, 1.0, 2.72550868988037, -0.207905307412148, 144.60090637207, 200.757583618164, -0.0231663528829813, 0.581302046775818, 56.1566886901855, -71.8018646240234, 99.6865844726562, 0.0, 49.9391479492188, 0.288646668195724, 171.48844909668, -8.00069618225098, 12.4532918930054, -24.797384262085, 0.0360590294003487, 20.4539890289307, 0.0, -2.76310849189758, 0.0, 69.3333358764648, 345.358489990234, 0.123182572424412, 34.4276084899902, 22.9343433380127, 8.74565601348877, 4.30084991455078
-InChI%3D1S%2FC4H11N%2Fc1-3-5-4-2%2Fh5H%2C3-4H2%2C1-2H3, 0.0206080600619316, 5.24292516708374, 0.279890567064285, 0.190988302230835, 0.979391932487488, 3.99368023872375, -0.0831915363669395, 66.8739395141602, 283.272827148438, -0.0124171171337366, 0.809011697769165, 216.398895263672, -29.1292476654053, 123.389236450195, 1.0, 23.4156932830811, 0.352392911911011, 152.518493652344, -4.34781360626221, 9.81197071075439, -10.1995115280151, 0.028022451326251, 14.1597843170166, 1.0, -1.52237284183502, 7.21584558486938, 99.1870651245117, 342.930908203125, 0.72658497095108, 43.2043418884277, 15.4747228622437, 12.6852769851685, 3.43562984466553
-InChI%3D1S%2FC7H3Cl2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H, 0.276894688606262, 11.4777584075928, 0.242146223783493, 0.648596346378326, 0.723105311393738, 3.33726787567139, -0.583788931369781, 246.244812011719, 133.413223266602, -0.114810466766357, 0.351403683423996, -112.831581115723, -221.640167236328, 120.082656860352, 1.0, 93.4888229370117, 0.316291600465775, 341.722808837891, -43.5887184143066, 16.8563022613525, -84.1474761962891, 0.0443986430764198, 60.4450187683105, 1.0, -16.548807144165, 105.125289916992, 50.6514053344727, 274.532745361328, 0.396290302276611, 45.5903434753418, 20.5823783874512, 4.77962112426758, 6.39963054656982
-InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H, 0.130978316068649, 23.7850971221924, 0.255588263273239, 0.433880239725113, 0.869021713733673, 11.3977508544922, -0.254131764173508, 155.188339233398, 202.487167358398, -0.0569366179406643, 0.566119730472565, 47.298828125, -90.8967056274414, 118.600517272949, 1.0, 55.5070648193359, 0.331586927175522, 209.497222900391, -20.3648338317871, 17.3463935852051, -32.5115242004395, 0.0484975725412369, 37.7112274169922, 0.0, -7.28400230407715, 46.8477325439453, 72.4246978759766, 310.827758789062, 0.507710754871368, 42.4204978942871, 17.1227588653564, 7.51724195480347, 6.20438003540039
-InChI%3D1S%2FC6H5Cl2N%2Fc7-5-2-1-4%289%293-6%285%298%2Fh1-3H%2C9H2, 0.0537126436829567, 9.22966575622559, 0.190252125263214, 0.533362746238708, 0.946287333965302, 5.71129608154297, -0.347910702228546, 197.703338623047, 172.969970703125, -0.0676653906702995, 0.466637253761292, -24.7333660125732, -128.961212158203, 112.82772064209, 1.0, 73.2833480834961, 0.304385870695114, 241.788940429688, -25.0817546844482, 15.3904123306274, -47.8024787902832, 0.0415201522409916, 40.47216796875, 1.0, -9.29713726043701, 19.9098434448242, 64.115348815918, 350.763458251953, 0.463573008775711, 41.8222236633301, 19.3539657592773, 5.64603519439697, 5.70481491088867
-InChI%3D1S%2FC4H5N%2Fc1-2-3-4-5%2Fh2H%2C1%2C3H2, 0.200618833303452, 37.191707611084, 0.270425617694855, 0.438233554363251, 0.799381136894226, 5.24728965759277, -0.193319857120514, 136.649993896484, 175.169998168945, -0.0746964737772942, 0.561766445636749, 38.5200157165527, -60.2809944152832, 77.2734909057617, 1.0, 42.6101989746094, 0.247814431786537, 137.554489135742, -23.2918548583984, 10.5058898925781, -18.7968196868896, 0.0336921624839306, 33.7977447509766, 0.0, -7.26286602020264, 62.5569648742676, 54.621509552002, 249.263031005859, 0.594525456428528, 24.0954208374023, 11.4739646911621, 6.12603521347046, 3.27594661712646
-InChI%3D1S%2FC7H5NO3S.Na.H2O%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%3B%3B%2Fh1-4H%2C%28H%2C8%2C9%29%3B%3B1H2%2Fq%3B%2B1%3B%2Fp-1, , , , , , , , , , , , , , , 5.0, , , , , , , , , 1.0, , , , , , , 47.1287574768066, 13.3972415924072, 
-InChI%3D1S%2FC5H10O%2Fc1-3-5%282%294-6%2Fh4-5H%2C3H2%2C1-2H3, 0.166143536567688, 32.8861045837402, 0.260570973157883, 0.260946124792099, 0.833856463432312, 1.42586135864258, -0.122651107609272, 80.2439804077148, 227.267715454102, -0.0561006776988506, 0.739053905010223, 147.023742675781, -37.7166519165039, 106.821434020996, 1.0, 24.6759643554688, 0.34737354516983, 144.5380859375, -17.251615524292, 7.62838649749756, -11.5983114242554, 0.0248068179935217, 24.8800010681152, 0.0, -5.30507373809814, 51.0910835266113, 69.8874816894531, 256.420623779297, 0.643676042556763, 32.8488426208496, 16.2699298858643, 11.8900699615479, 2.34581828117371
-InChI%3D1S%2F4C4H9.Sn.2H%2Fc4%2A1-3-4-2%3B%3B%3B%2Fh4%2A1%2C3-4H2%2C2H3%3B%3B%3B, , , , , , , , , , , , , , , 0.0, , , , , , , , , 0.0, , , , , , , 65.1988906860352, 71.8611068725586, 
-InChI%3D1S%2FC7H12O4%2Fc1-3-10-6%288%295-7%289%2911-4-2%2Fh3-5H2%2C1-2H3, 0.259151995182037, 3.237459897995, 0.218229219317436, 0.332494467496872, 0.740848004817963, 0.857876837253571, -0.413397878408432, 136.725509643555, 274.485870361328, -0.0696476176381111, 0.667505502700806, 137.760345458984, -169.993896484375, 341.274444580078, 4.0, 56.2230834960938, 0.829924643039703, 511.268341064453, -28.6398906707764, 11.8589248657227, -69.9034271240234, 0.028838999569416, 40.4988174438477, 0.0, -11.7770490646362, 106.566253662109, 112.871704101562, 304.645111083984, 0.253748625516891, 140.3359375, 23.5295162200928, 18.8664836883545, 4.87652444839478
-InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3%2B, 0.208806574344635, 19.5589542388916, 0.307953417301178, 0.192030608654022, 0.791193425655365, 13.7749977111816, -0.130786165595055, 72.1207504272461, 303.448272705078, -0.0403162427246571, 0.807969391345978, 231.327514648438, -49.1192321777344, 206.669311523438, 1.0, 27.0863189697266, 0.550283193588257, 255.788543701172, -15.1415319442749, 19.0445785522461, -18.4476623535156, 0.0507085993885994, 34.1861114501953, 1.0, -5.68669033050537, 78.4212799072266, 113.965766906738, 297.147735595703, 0.580548107624054, 77.6185913085938, 19.3635158538818, 13.118483543396, 7.15255403518677
-InChI%3D1S%2FC8H8O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-6H%2C1H3, 0.116815753281116, 19.8690395355225, 0.273667603731155, 0.365110009908676, 0.883184254169464, 1.64383709430695, -0.212784603238106, 123.102577209473, 214.06315612793, -0.0454486161470413, 0.634890019893646, 90.9605712890625, -71.7436752319336, 124.75511932373, 1.0, 41.5059700012207, 0.370011270046234, 196.498794555664, -15.3237152099609, 11.0589036941528, -24.1895084381104, 0.0327996090054512, 26.3826198577881, 0.0, -5.1666316986084, 39.3862686157227, 72.1747589111328, 297.779449462891, 0.50446617603302, 42.0631523132324, 20.216344833374, 9.70365619659424, 3.72868323326111
-InChI%3D1S%2FC6H2F5N%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H2, 0.269884467124939, 4.3964900970459, 0.153675153851509, 0.646098673343658, 0.730115532875061, 4.4800763130188, -0.839464426040649, 228.147430419922, 124.968040466309, -0.13470521569252, 0.353901356458664, -103.179389953613, -296.427886962891, 162.368743896484, 1.0, 80.562385559082, 0.459817707538605, 458.796630859375, -47.5664939880371, 19.441385269165, -104.673271179199, 0.0550567358732224, 67.0078811645508, 1.0, -16.7964649200439, 95.3003768920898, 44.1281471252441, 257.815093994141, 0.228948265314102, 57.3349151611328, 15.7785863876343, 7.5414137840271, 6.8650541305542
-InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H, 0.240648046135902, 20.603006362915, 0.35981348156929, 0.370158553123474, 0.759351968765259, 13.7704734802246, -0.224047601222992, 112.091300964355, 190.728378295898, -0.0540198944509029, 0.629841446876526, 78.6370849609375, -67.8460235595703, 115.443054199219, 0.0, 33.9434509277344, 0.381227046251297, 183.289077758789, -16.3582859039307, 18.0843067169189, -20.5451107025146, 0.0597197227180004, 34.4425926208496, 1.0, -4.95361089706421, 72.8729629516602, 57.7563056945801, 229.946716308594, 0.595431268215179, 34.9584274291992, 15.3627576828003, 6.559241771698, 5.47628402709961
-InChI%3D1S%2FC9H10O2%2Fc1-2-11-9-5-3-8%287-10%294-6-9%2Fh3-7H%2C2H2%2C1H3, 0.158580139279366, 4.60795497894287, 0.177199512720108, 0.31286209821701, 0.841419875621796, 2.76962471008301, -0.264319241046906, 114.281997680664, 250.997116088867, -0.0549228228628635, 0.68713790178299, 136.715118408203, -96.5503005981445, 212.053070068359, 1.0, 41.7448272705078, 0.580523371696472, 308.603363037109, -20.0621604919434, 14.594799041748, -35.2678108215332, 0.0399551950395107, 34.6569595336914, 0.0, -7.32828807830811, 57.9260101318359, 91.6840057373047, 307.353088378906, 0.40962690114975, 77.4585571289062, 24.111930847168, 13.8060703277588, 5.33117532730103
-InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-1-2-5%287%2810%2911%296%289%293-4%2Fh1-3H%2C%28H2%2C10%2C11%29, 0.233774214982986, 8.82949256896973, 0.224617183208466, 0.606407165527344, 0.766225814819336, 6.44975185394287, -0.592481791973114, 226.667770385742, 147.120330810547, -0.0973666831851006, 0.393592864274979, -79.5474395751953, -221.462646484375, 143.741897583008, 2.0, 84.725715637207, 0.384554535150528, 365.204528808594, -36.3945083618164, 19.5771141052246, -82.7800979614258, 0.0523748993873596, 55.9716186523438, 2.0, -13.6038331985474, 87.3820190429688, 54.9918251037598, 286.406066894531, 0.352715224027634, 53.7290115356445, 21.9159641265869, 6.30603504180908, 7.31769180297852
-InChI%3D1S%2FC10H14N2.H2O4S%2Fc1-12-7-3-5-10%2812%299-4-2-6-11-8-9%3B1-5%282%2C3%294%2Fh2%2C4%2C6%2C8%2C10H%2C3%2C5%2C7H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29, , , , , , , , , , , , , , , 6.0, , , , , , , , , 2.0, , , , , , , 36.5766868591309, 27.2673110961914, 
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-InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3-, 0.208806574344635, 19.5589542388916, 0.307953417301178, 0.192030608654022, 0.791193425655365, 13.7749977111816, -0.130786165595055, 72.1207504272461, 303.448272705078, -0.0403162427246571, 0.807969391345978, 231.327514648438, -49.1192321777344, 206.669311523438, 1.0, 27.0863189697266, 0.550283193588257, 255.788543701172, -15.1415319442749, 19.0445785522461, -18.4476623535156, 0.0507085993885994, 34.1861114501953, 1.0, -5.68669033050537, 78.4212799072266, 113.965766906738, 297.147735595703, 0.580548107624054, 77.6185913085938, 19.3635158538818, 13.118483543396, 7.15255403518677
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-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, , , , , , , , , , , , , , , 5.0, , , , , , , , , 1.0, , , , , , , 60.6614799499512, 23.1405181884766, 
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-InChI%3D1S%2FC4H10O%2Fc1-3-5-4-2%2Fh3-4H2%2C1-2H3, 0.0331481881439686, 9.51560115814209, 0.120676621794701, 0.143502488732338, 0.966851830482483, 2.61889147758484, -0.0666298642754555, 50.178394317627, 299.490753173828, -0.0172224156558514, 0.856497526168823, 249.312347412109, -23.2984066009521, 139.057006835938, 1.0, 17.5458354949951, 0.397681683301926, 162.355407714844, -6.02214765548706, 10.7369213104248, -8.1467342376709, 0.0307059455662966, 16.759069442749, 0.0, -2.10575914382935, 11.5908975601196, 104.722671508789, 338.078247070312, 0.820954620838165, 48.6239433288574, 14.5099296569824, 12.8480701446533, 3.75436997413635
-InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H, 0.0, 32.2919883728027, 0.531400680541992, 0.622637808322906, 1.0, 29.2791347503662, -0.21905905008316, 241.877502441406, 146.5947265625, -0.0732527673244476, 0.377362191677094, -95.2827682495117, -85.0983581542969, 51.5755729675293, 0.0, 93.9626922607422, 0.132765144109726, 136.673934936523, -28.4566669464111, 17.8254280090332, -33.058349609375, 0.0458859764039516, 46.2820930480957, 0.0, -11.0546245574951, 0.0, 56.9479827880859, 388.472229003906, 0.384534329175949, 20.0356788635254, 10.7267932891846, 2.35320711135864, 6.92468357086182
-InChI%3D1S%2FC5H10O%2Fc1-3-4-5%282%296%2Fh3-4H2%2C1-2H3, 0.147076189517975, 31.8839912414551, 0.308901399374008, 0.251899093389511, 0.852923810482025, 1.22403109073639, -0.105654798448086, 76.4808959960938, 227.136291503906, -0.0462774187326431, 0.748100936412811, 150.655395507812, -32.07861328125, 95.2684631347656, 1.0, 23.2209148406982, 0.313778221607208, 127.347076416016, -14.0506200790405, 6.68028163909912, -9.7396183013916, 0.0220023170113564, 20.7309017181396, 0.0, -4.26600980758667, 44.6548614501953, 68.9624862670898, 258.962341308594, 0.714009404182434, 28.925142288208, 16.2699298858643, 11.8900699615479, 2.02824831008911
-InChI%3D1S%2FC10H22O%2Fc1-3-5-7-9-11-10-8-6-4-2%2Fh3-10H2%2C1-2H3, 0.0108284829184413, 2.7344012260437, 0.0717489868402481, 0.122493900358677, 0.989171504974365, 1.10947692394257, -0.0961463898420334, 63.7873725891113, 456.951782226562, -0.0102563565596938, 0.877506077289581, 393.164428710938, -50.0671882629395, 358.664916992188, 1.0, 33.2165832519531, 0.688761174678802, 408.732086181641, -5.34088659286499, 13.7844791412354, -26.0719451904297, 0.0264709871262312, 19.1253662109375, 0.0, -2.78120875358582, 5.63881540298462, 237.952682495117, 515.100341796875, 0.484924793243408, 186.770858764648, 33.0714454650879, 25.9665546417236, 7.17811822891235
-InChI%3D1S%2FC7H12O%2Fc1-5-7%284%2C8%296%282%293%2Fh1%2C6%2C8H%2C2-4H3, 0.115379743278027, 10.8660831451416, 0.296375304460526, 0.27341440320015, 0.884620249271393, 5.88111686706543, -0.195382922887802, 95.8153915405273, 254.624771118164, -0.0415611080825329, 0.726585566997528, 158.809387207031, -68.4700241088867, 181.955780029297, 1.0, 33.577564239502, 0.519220650196075, 250.425796508789, -14.5646820068359, 15.0409145355225, -23.9946460723877, 0.0429200641810894, 29.6055965423584, 1.0, -5.10404968261719, 40.4336967468262, 89.2307510375977, 310.006469726562, 0.527730345726013, 63.7646102905273, 21.1235160827637, 13.118483543396, 5.27094078063965
-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, 0.122276090085506, 1.02369260787964, 0.144377589225769, 0.260300368070602, 0.877723932266235, 1.00798666477203, -0.451395839452744, 148.942413330078, 423.251953125, -0.03741804510355, 0.739699602127075, 274.309539794922, -258.286163330078, 733.975830078125, 6.0, 85.224006652832, 1.28273856639862, 992.261962890625, -21.4103946685791, 28.0378303527832, -147.789886474609, 0.0490005351603031, 49.4482269287109, 2.0, -12.2509069442749, 69.965690612793, 242.182388305664, 502.228668212891, 0.18721716105938, 419.976837158203, 42.071102142334, 27.094898223877, 16.0430889129639
-InChI%3D1S%2FC11H16N2%2Fc1-2-4-11%285-3-1%2910-13-8-6-12-7-9-13%2Fh1-5%2C12H%2C6-10H2, 0.0381275303661823, 4.04878616333008, 0.129535809159279, 0.271326541900635, 0.961872458457947, 3.06905484199524, -0.255596101284027, 121.772972106934, 327.032989501953, -0.0258396603167057, 0.728673458099365, 205.260009765625, -114.71305847168, 308.072906494141, 2.0, 54.6524353027344, 0.68642783164978, 422.785949707031, -11.5969934463501, 18.2432079315186, -51.4839019775391, 0.0406483188271523, 29.8402004241943, 1.0, -5.20479965209961, 17.1118621826172, 146.774353027344, 431.694091796875, 0.332853883504868, 138.264953613281, 32.228687286377, 20.131311416626, 8.18766021728516
-InChI%3D1S%2FC10H18%2Fc1-3-5-7-9-10-8-6-4-2%2Fh3-4H%2C1-2%2C5-10H2, 0.0, 7.34418535232544, 0.0855061486363411, 0.258483916521072, 1.0, 2.11477661132812, -0.171191215515137, 131.581161499023, 377.468505859375, -0.0253523830324411, 0.741516053676605, 245.887344360352, -87.1448287963867, 249.993453979492, 0.0, 66.9813461303711, 0.491098344326019, 337.138275146484, -12.9056224822998, 15.2765712738037, -44.3610458374023, 0.0300099831074476, 28.1821937561035, 0.0, -6.56960248947144, 0.0, 192.15022277832, 509.049652099609, 0.154963120818138, 127.259086608887, 29.60227394104, 19.6777267456055, 7.77653360366821
-InChI%3D1S%2FC6H13Br%2Fc1-2-3-4-5-6-7%2Fh2-6H2%2C1H3, 0.0, 28.7696399688721, 0.111906878650188, 0.235785469412804, 1.0, 2.62167024612427, -0.0961090698838234, 91.9856719970703, 298.138732910156, -0.0316177569329739, 0.764214515686035, 206.153076171875, -37.4944953918457, 121.525032043457, 0.0, 35.885856628418, 0.311503291130066, 159.01953125, -12.3348588943481, 8.7319393157959, -14.6275177001953, 0.0223824474960566, 21.0667991638184, 0.0, -4.81212949752808, 0.0, 116.31120300293, 390.124420166016, 0.351452738046646, 47.4098815917969, 22.2783088684082, 15.501690864563, 3.40654277801514
-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, 0.0737628117203712, 5.53458452224731, 0.187145680189133, 0.394150882959366, 0.926237165927887, 3.58941960334778, -0.44760262966156, 193.488739013672, 297.411437988281, -0.039012748748064, 0.605849087238312, 103.922691345215, -219.728210449219, 337.744110107422, 1.0, 94.9836578369141, 0.688009738922119, 557.472351074219, -19.1513652801514, 24.3702716827393, -107.864624023438, 0.04964404925704, 43.5216369628906, 1.0, -9.40140819549561, 36.2101783752441, 145.999328613281, 454.690002441406, 0.324983388185501, 165.798645019531, 35.2035140991211, 13.118483543396, 11.9633712768555
-InChI%3D1S%2FC9H7N%2Fc1-2-6-9-8%284-1%295-3-7-10-9%2Fh1-7H, 0.0690537467598915, 10.0501937866211, 0.149195104837418, 0.349085211753845, 0.930946230888367, 4.1058235168457, -0.195351153612137, 111.22078704834, 207.385635375977, -0.032011266797781, 0.650914788246155, 96.1648406982422, -62.2401313781738, 116.054817199707, 1.0, 35.4356575012207, 0.364257633686066, 178.294952392578, -10.19899559021, 12.7922954559326, -19.8301048278809, 0.0401507765054703, 22.9912910461426, 0.0, -3.24946546554565, 22.0009651184082, 66.0743942260742, 296.605438232422, 0.456806927919388, 36.9758110046387, 21.607551574707, 8.97244930267334, 4.07570743560791
-InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3, 0.0911778658628464, 0.191633686423302, 0.299379050731659, 0.199936658143997, 0.908822119235992, 0.725660681724548, -0.303119689226151, 127.590339660645, 510.5634765625, -0.0282358229160309, 0.800063371658325, 382.97314453125, -193.436981201172, 774.054321289062, 4.0, 81.4222564697266, 1.21295893192291, 967.491333007812, -18.0187969207764, 16.3879222869873, -123.442543029785, 0.0256802085787058, 34.4067192077637, 0.0, -11.4987640380859, 58.1855010986328, 325.818023681641, 579.968322753906, 0.186916083097458, 493.965728759766, 45.9614105224609, 43.7025871276855, 10.4580154418945
-InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3, 0.0, 8.69408702850342, 0.202244848012924, 0.612014055252075, 1.0, 0.680555105209351, -0.398064374923706, 241.720443725586, 153.238540649414, -0.0620911046862602, 0.387985974550247, -88.4818954467773, -157.219100952148, 99.6689605712891, 0.0, 95.4696578979492, 0.252352684736252, 256.888061523438, -24.5234394073486, 7.54116201400757, -62.0950927734375, 0.019093532115221, 32.0646018981934, 0.0, -9.68575286865234, 0.0, 60.5229415893555, 394.958984375, 0.194819450378418, 39.3651542663574, 21.7287578582764, 9.0712423324585, 2.97844982147217
-InChI%3D1S%2FC4H8Cl2%2Fc5-3-1-2-4-6%2Fh1-4H2, 0.0, 26.8406391143799, 0.121619291603565, 0.453241288661957, 1.0, 2.91377663612366, -0.186664402484894, 130.296936035156, 157.18115234375, -0.0774204656481743, 0.546758711338043, 26.8842124938965, -53.661922454834, 64.7340087890625, 0.0, 37.4575119018555, 0.225178927183151, 118.395935058594, -22.2566871643066, 6.18945789337158, -15.4266271591187, 0.0215301904827356, 28.4461441040039, 0.0, -6.3983097076416, 0.0, 45.1861343383789, 287.478088378906, 0.421117931604385, 18.6096076965332, 16.7343444824219, 9.58565616607666, 1.77933347225189
-InChI%3D1S%2FC6H12O%2Fc1-5%287%296%282%2C3%294%2Fh1-4H3, 0.111725069582462, 24.0398807525635, 0.290758311748505, 0.278329491615295, 0.888274908065796, 0.438909947872162, -0.129102542996407, 92.9399795532227, 240.980712890625, -0.0409938655793667, 0.721670508384705, 148.040725708008, -43.1100082397461, 111.778381347656, 1.0, 31.0345802307129, 0.334745317697525, 154.888397216797, -13.68869972229, 6.41389894485474, -14.3953237533569, 0.0192078519612551, 20.1025981903076, 0.0, -4.5709400177002, 37.3073120117188, 80.4684448242188, 296.613372802734, 0.644374489784241, 37.3251152038574, 19.3635158538818, 14.0764837265015, 2.14173364639282
-InChI%3D1S%2FC8H11N%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6H%2C2%2C9H2%2C1H3, 0.057686198502779, 9.42068958282471, 0.192444369196892, 0.263247162103653, 0.94231379032135, 4.55527210235596, -0.169757947325706, 91.663688659668, 256.540191650391, -0.0275477897375822, 0.736752808094025, 164.876510620117, -59.1103782653809, 165.432876586914, 1.0, 31.917652130127, 0.475103467702866, 224.543258666992, -9.59224796295166, 14.5125226974487, -20.582462310791, 0.0416782312095165, 24.1047706604004, 1.0, -3.34005784988403, 20.0865573883057, 89.3282928466797, 328.117340087891, 0.469004660844803, 57.6043701171875, 22.5147228240967, 11.3652772903442, 5.05331659317017
-InChI%3D1S%2FC4H6Cl2%2Fc1-4%282-5%293-6%2Fh1-3H2, 0.0, 24.2439231872559, 0.152107939124107, 0.536683022975922, 1.0, 0.487926125526428, -0.252048552036285, 162.42236328125, 140.218765258789, -0.0833679735660553, 0.463316947221756, -22.2035980224609, -76.2802581787109, 65.8525314331055, 0.0, 49.155689239502, 0.217592805624008, 142.132797241211, -25.2305774688721, 7.7159571647644, -23.0855445861816, 0.0254954006522894, 32.9465370178223, 0.0, -7.63581085205078, 0.0, 42.4359703063965, 302.641143798828, 0.359045296907425, 19.9296855926514, 15.4007577896118, 7.39924192428589, 2.33516621589661
-InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh6H%2C2-5H2%2C1H3, 0.142740473151207, 31.3837223052979, 0.228377759456635, 0.164892345666885, 0.857259511947632, 14.0483293533325, -0.0864141210913658, 62.737434387207, 317.737670898438, -0.0446342378854752, 0.835107624530792, 255.000244140625, -32.8784217834473, 166.514831542969, 1.0, 23.8700313568115, 0.437649756669998, 199.393249511719, -16.9822158813477, 16.0535011291504, -12.5094213485718, 0.0421933047473431, 33.035717010498, 0.0, -6.46131038665771, 54.309196472168, 120.891273498535, 326.165924072266, 0.577871263027191, 63.3547477722168, 19.3635158538818, 14.0764837265015, 6.10795783996582
-InChI%3D1S%2FC6H12O%2Fc1-5%282%294-6%283%297%2Fh5H%2C4H2%2C1-3H3, 0.130429118871689, 26.2707252502441, 0.276179373264313, 0.202145874500275, 0.869570910930634, 1.09436905384064, -0.0950243547558784, 63.9118728637695, 252.255233764648, -0.0417512357234955, 0.797854125499725, 188.343353271484, -30.0435752868652, 118.57967376709, 1.0, 20.2068328857422, 0.37505379319191, 148.623245239258, -13.200366973877, 7.26806926727295, -9.4987907409668, 0.0229880642145872, 20.4684371948242, 0.0, -4.17352151870728, 41.2373962402344, 79.7548065185547, 274.929718017578, 0.637060701847076, 37.4909934997559, 19.3635158538818, 14.0764837265015, 2.29792451858521
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-InChI%3D1S%2FC10H15NO2%2Fc12-8-6-11%287-9-13%2910-4-2-1-3-5-10%2Fh1-5%2C12-13H%2C6-9H2, 0.185626089572906, 7.1727876663208, 0.157797455787659, 0.316546410322189, 0.814373910427094, 2.41912651062012, -0.420834809541702, 133.608215332031, 288.472747802734, -0.0634306520223618, 0.683453559875488, 154.864532470703, -177.626373291016, 383.512084960938, 3.0, 56.3934898376465, 0.908622086048126, 561.138427734375, -26.7728729248047, 19.4504814147949, -74.9727096557617, 0.0460823476314545, 46.2233543395996, 2.0, -11.3003196716309, 78.3492431640625, 121.758857727051, 343.731719970703, 0.296659052371979, 161.873153686523, 30.3058948516846, 18.3781051635742, 8.20967864990234
-InChI%3D1S%2FC10H14%2Fc1-3-9-6-5-7-10%284-2%298-9%2Fh5-8H%2C3-4H2%2C1-2H3, 0.0, 2.79188919067383, 0.12166415899992, 0.207353696227074, 1.0, 1.45069718360901, -0.106177642941475, 83.7792053222656, 320.260894775391, -0.0118096368387341, 0.792646288871765, 236.481689453125, -42.9000282287598, 163.992965698242, 0.0, 33.8501586914062, 0.405882894992828, 206.892990112305, -4.77156686782837, 11.1915884017944, -17.3333301544189, 0.027699202299118, 15.96315574646, 0.0, -1.92790424823761, 0.0, 129.398239135742, 404.040100097656, 0.119644358754158, 66.2597351074219, 26.9351024627686, 15.3048982620239, 4.5218505859375
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-InChI%3D1S%2FC10H18O%2Fc1-9%282%298-4-6-10%283%2C11-9%297-5-8%2Fh8H%2C4-7H2%2C1-3H3, 0.0179178044199944, 3.70682525634766, 0.106841154396534, 0.0843495652079582, 0.982082188129425, 0.0, -0.0527511760592461, 29.6287288665771, 321.632446289062, -0.00896804314106703, 0.915650427341461, 292.003723144531, -18.5294399261475, 201.144958496094, 1.0, 10.4074220657349, 0.572636485099792, 219.674407958984, -3.15012526512146, 8.73460578918457, -6.50867319107056, 0.0248664133250713, 11.8847312927246, 0.0, -1.10651671886444, 6.2938289642334, 112.976997375488, 344.967346191406, 0.588961839675903, 70.6544189453125, 30.4042739868164, 21.5937252044678, 3.06812787055969
-InChI%3D1S%2FC13H11NO%2Fc15-11-14%2812-7-3-1-4-8-12%2913-9-5-2-6-10-13%2Fh1-11H, 0.0888076201081276, 11.60791015625, 0.196526169776917, 0.365126311779022, 0.911192357540131, 6.92214059829712, -0.368389338254929, 169.661758422852, 295.004150390625, -0.040887076407671, 0.634873688220978, 125.342407226562, -171.177963256836, 297.640533447266, 2.0, 78.8360290527344, 0.640547335147858, 468.818481445312, -18.9988288879395, 24.2240352630615, -79.5405654907227, 0.0521321557462215, 43.2228660583496, 0.0, -8.82810878753662, 41.2658767700195, 137.078369140625, 423.400024414062, 0.281295627355576, 138.303405761719, 32.1167221069336, 14.9632768630981, 11.2560834884644
-InChI%3D1S%2FC12H27N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-13H2%2C1H3, 0.0450691804289818, 8.75709056854248, 0.128179311752319, 0.108076125383377, 0.95493084192276, 2.90080761909485, -0.0996730923652649, 58.691104888916, 484.362243652344, -0.0166454594582319, 0.891923844814301, 425.671142578125, -54.1278038024902, 446.702545166016, 1.0, 31.8724002838135, 0.822575807571411, 500.830352783203, -9.03937244415283, 17.0087947845459, -29.3942852020264, 0.0313206687569618, 26.0481662750244, 1.0, -4.90886116027832, 24.4749698638916, 263.034545898438, 518.578369140625, 0.357797801494598, 242.583312988281, 40.2234115600586, 28.8565883636475, 9.2366828918457
-InChI%3D1S%2FC20H30O2%2Fc1-13%282%2914-6-8-16-15%2812-14%297-9-17-19%2816%2C3%2910-5-11-20%2817%2C4%2918%2821%2922%2Fh7%2C12-13%2C16-17H%2C5-6%2C8-11H2%2C1-4H3%2C%28H%2C21%2C22%29%2Ft16-%2C17%2B%2C19%2B%2C20%2B%2Fm0%2Fs1, 0.131666898727417, 6.28661823272705, 0.190481677651405, 0.18893475830555, 0.868333101272583, 2.97722482681274, -0.262973189353943, 114.116371154785, 489.882446289062, -0.0338319465517998, 0.811065256595612, 375.766082763672, -158.835494995117, 681.854125976562, 2.0, 68.926155090332, 1.12889969348907, 840.689636230469, -20.434455871582, 18.5652732849121, -95.9364471435547, 0.0307372659444809, 38.9997291564941, 1.0, -12.3423871994019, 79.5266494750977, 295.888427734375, 524.47216796875, 0.237873703241348, 411.839080810547, 56.807788848877, 33.7542114257812, 11.2134027481079
-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%3F%2C21%2B%2Fm1%2Fs1, 0.124931737780571, 3.00514340400696, 0.0764443799853325, 0.254226446151733, 0.875068247318268, 0.15626472234726, -0.583200037479401, 188.229049682617, 552.170104980469, -0.0474519915878773, 0.745773553848267, 363.941070556641, -431.800842285156, 1266.68823242188, 1.0, 139.364624023438, 1.71081805229187, 1698.48901367188, -35.133415222168, 29.22145652771, -319.704986572266, 0.0394671633839607, 64.3548736572266, 0.0, -26.0127506256104, 92.4993515014648, 408.826293945312, 647.899841308594, 0.150961205363274, 937.854919433594, 59.9614448547363, 34.5885543823242, 21.6355419158936
-InChI%3D1S%2FC8H11N%2Fc1-3-8-5-4-7%282%299-6-8%2Fh4-6H%2C3H2%2C1-2H3, 0.0623508021235466, 11.4270315170288, 0.167834520339966, 0.184662148356438, 0.937649190425873, 3.42324161529541, -0.0921647995710373, 64.8105621337891, 286.157745361328, -0.0214197766035795, 0.815337836742401, 221.347198486328, -32.346923828125, 142.821212768555, 1.0, 22.7464561462402, 0.406934767961502, 175.16813659668, -7.51766300201416, 10.6025552749634, -11.3527460098267, 0.0302094370126724, 18.1202182769775, 0.0, -2.63846158981323, 21.8831558227539, 100.432312011719, 329.085174560547, 0.522183895111084, 50.1257209777832, 22.5147228240967, 13.3452768325806, 3.72116112709045
-InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3, 0.115690551698208, 8.44452953338623, 0.263350993394852, 0.115690551698208, 0.884309470653534, 6.19871854782104, -0.0603108443319798, 28.0092620849609, 214.095748901367, -0.0303155109286308, 0.884309470653534, 186.086486816406, -14.6015577316284, 111.610626220703, 2.0, 6.78118228912354, 0.461000919342041, 126.212188720703, -7.33953714370728, 12.7517719268799, -3.53511023521423, 0.052670419216156, 20.09130859375, 1.0, -1.77693867683411, 28.0092620849609, 51.8336524963379, 214.095748901367, 0.515679061412811, 27.0214920043945, 11.0543441772461, 8.74565601348877, 3.08726787567139
-InChI%3D1S%2FC9H16O%2Fc1-5-9%284%2C10%297-6-8%282%293%2Fh1%2C8%2C10H%2C6-7H2%2C2-4H3, 0.114031456410885, 12.6613130569458, 0.257470935583115, 0.243363291025162, 0.885968565940857, 5.75843858718872, -0.200173735618591, 106.626480102539, 331.510620117188, -0.0402144603431225, 0.756636738777161, 224.884124755859, -87.7035369873047, 272.677581787109, 1.0, 46.7170143127441, 0.622356772422791, 360.381134033203, -17.6194458007812, 18.7171974182129, -38.4261703491211, 0.0427199564874172, 36.3366432189941, 1.0, -7.71973276138306, 49.9614105224609, 145.247100830078, 388.175689697266, 0.458809375762939, 119.470169067383, 27.3106880187988, 17.4913120269775, 8.20069885253906
-InChI%3D1S%2FC8H10%2Fc1-7-5-3-4-6-8%287%292%2Fh3-6H%2C1-2H3, 0.0, 2.7082839012146, 0.149769186973572, 0.291527479887009, 1.0, 3.19061279296875, -0.120738692581654, 98.0568923950195, 238.298706054688, -0.0154366930946708, 0.708472549915314, 140.241806030273, -40.6111335754395, 98.6935272216797, 0.0, 32.9819869995117, 0.293420195579529, 139.304656982422, -5.19221830368042, 10.1410484313965, -13.659782409668, 0.0301497839391232, 15.3332672119141, 0.0, -1.74643170833588, 0.0, 80.1531066894531, 336.355590820312, 0.148478701710701, 33.1961212158203, 20.7479305267334, 10.9320697784424, 3.41099858283997
-InChI%3D1S%2FC12H10OS%2Fc13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H, 0.0803456977009773, 10.8164587020874, 0.106447644531727, 0.357708662748337, 0.919654309749603, 4.18063497543335, -0.285851985216141, 154.812194824219, 277.976287841797, -0.0356745719909668, 0.642291307449341, 123.164100646973, -123.713455200195, 222.136306762695, 1.0, 67.0009384155273, 0.513267576694489, 345.849761962891, -15.4395437240601, 18.1791725158691, -53.5417594909668, 0.0420047491788864, 33.6187171936035, 0.0, -6.68205690383911, 34.7726936340332, 120.304946899414, 398.015808105469, 0.311061859130859, 96.1380386352539, 31.4899291992188, 15.3100700378418, 7.86773633956909
-InChI%3D1S%2FC9H11NO%2Fc1-10%282%299-5-3-8%287-11%294-6-9%2Fh3-7H%2C1-2H3, 0.143527388572693, 17.8709564208984, 0.191340863704681, 0.310221016407013, 0.856472611427307, 2.97861909866333, -0.242716103792191, 111.49341583252, 247.906509399414, -0.0487645789980888, 0.689778983592987, 136.413101196289, -87.2321548461914, 193.961395263672, 2.0, 40.0707244873047, 0.539681255817413, 281.193542480469, -17.5259857177734, 14.4058504104614, -31.3512287139893, 0.0400830656290054, 31.9318351745605, 0.0, -6.29883813858032, 51.5837326049805, 89.0975799560547, 307.816192626953, 0.380082637071609, 69.7097091674805, 25.0767230987549, 14.9632768630981, 5.17746162414551
-InChI%3D1S%2FHN3.Na%2Fc1-3-2%3B%2Fh1H%3B%2Fq-1%3B%2B1, , , , , , , , , , , , , , , 3.0, , , , , , , , , 1.0, , , , , , , 28.233585357666, 0.86641401052475, 
-InChI%3D1S%2FC12H8O%2Fc1-3-7-11-9%285-1%2910-6-2-4-8-12%2810%2913-11%2Fh1-8H, 0.058114655315876, 9.20451259613037, 0.126548081636429, 0.378903210163116, 0.941885352134705, 0.787993729114532, -0.270635217428207, 138.888702392578, 227.66584777832, -0.0341022163629532, 0.621096789836884, 88.7771530151367, -99.2025680541992, 162.612487792969, 0.0, 50.910285949707, 0.443624258041382, 261.815063476562, -12.5003223419189, 14.1658058166504, -36.3631553649902, 0.0386458300054073, 26.6661281585693, 0.0, -4.58205032348633, 21.3021907806396, 83.4519577026367, 345.252349853516, 0.432092308998108, 59.6063499450684, 27.2563438415527, 10.6616563796997, 5.19254064559937
-InChI%3D1S%2FC4H12N.ClH%2Fc1-5%282%2C3%294%3B%2Fh1-4H3%3B1H%2Fq%2B1%3B%2Fp-1, , , , , , , , , , , , , , , 0.0, , , , , , , , , 0.0, , , , , , , 18.3215160369873, 15.7584838867188, 
-InChI%3D1S%2FC10H24N4%2Fc11-3-1-5-13-7-9-14%2810-8-13%296-2-4-12%2Fh1-12H2, 0.106530971825123, 5.65446281433105, 0.0891024321317673, 0.128108948469162, 0.893469035625458, 2.59597587585449, -0.169964462518692, 62.5482902526855, 425.694641113281, -0.0349374674260616, 0.871891021728516, 363.146362304688, -82.9839477539062, 564.776794433594, 4.0, 30.538761138916, 1.15675365924835, 647.7607421875, -17.0579719543457, 24.294303894043, -40.5163269042969, 0.0497586391866207, 41.3522758483887, 2.0, -8.32843494415283, 52.0129928588867, 207.842391967773, 436.229949951172, 0.248686894774437, 275.748260498047, 38.0030326843262, 28.8769683837891, 11.8615226745605
-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, , , , , , , , , , , , , , , 5.0, , , , , , , , , 1.0, , , , , , , 58.901481628418, 23.1405181884766, 
-InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3H%2C%28H2%2C10%2C11%29, 0.206574484705925, 8.05696868896484, 0.216835856437683, 0.592657923698425, 0.793425500392914, 4.98872756958008, -0.599830389022827, 217.810409545898, 149.704147338867, -0.0934885740280151, 0.407342106103897, -68.1062545776367, -220.446411132812, 151.515914916992, 2.0, 80.0484924316406, 0.412271857261658, 371.962310791016, -34.3584136962891, 18.6134948730469, -81.0172653198242, 0.050646960735321, 52.9719085693359, 2.0, -12.6272172927856, 75.9191284179688, 55.0184555053711, 291.595428466797, 0.340445816516876, 55.6843032836914, 21.9159641265869, 6.30603504180908, 6.84073066711426
-InChI%3D1S%2FC6H2Cl2N2O4%2Fc7-3-1-4%288%296%2810%2813%2914%292-5%283%299%2811%2912%2Fh1-2H, 0.0, 10.7161846160889, 0.199147611856461, 0.799005508422852, 1.0, 0.450930505990982, -0.615287303924561, 336.200561523438, 84.5732116699219, -0.095083050429821, 0.200994491577148, -251.627365112305, -258.896789550781, 65.1269912719727, 0.0, 141.464385986328, 0.154779106378555, 324.023773193359, -40.0084533691406, 5.77024507522583, -108.936973571777, 0.0137134147807956, 45.7787017822266, 0.0, -16.834508895874, 0.0, 35.5861892700195, 420.773773193359, 0.166037157177925, 27.4037303924561, 21.6615867614746, 5.53841400146484, 2.42796802520752
-InChI%3D1S%2FC6H5NO%2Fc8-5-6-2-1-3-7-4-6%2Fh1-5H, 0.229932904243469, 21.4189567565918, 0.231710523366928, 0.313425630331039, 0.770067095756531, 10.4203863143921, -0.20456238090992, 102.472557067871, 224.471206665039, -0.0692870169878006, 0.686574339866638, 121.998657226562, -66.8803939819336, 146.504821777344, 2.0, 33.5027656555176, 0.448104023933411, 213.385223388672, -22.6529579162598, 18.4197273254395, -21.8661289215088, 0.0563391335308552, 41.0726852416992, 0.0, -7.40624380111694, 75.1751327514648, 73.3894653320312, 251.768646240234, 0.455542147159576, 47.8988380432129, 15.7959651947021, 7.74403476715088, 6.02221536636353
-InChI%3D1S%2FC12H9NO3%2Fc14-13%2815%2910-6-8-12%289-7-10%2916-11-4-2-1-3-5-11%2Fh1-9H, 0.0297204051166773, 4.63227415084839, 0.137271896004677, 0.463903874158859, 0.970279574394226, 0.854769229888916, -0.427765190601349, 215.149978637695, 248.631408691406, -0.0445484817028046, 0.536096155643463, 33.4814262390137, -198.389541625977, 229.262710571289, 0.0, 99.7825546264648, 0.49433359503746, 427.652252197266, -20.6607570648193, 16.1148433685303, -92.0093688964844, 0.0347466357052326, 36.7756004333496, 0.0, -9.58207416534424, 13.7837705612183, 115.310615539551, 449.997619628906, 0.336067259311676, 106.327781677246, 30.6271362304688, 13.0108633041382, 7.47376441955566
-InChI%3D1S%2FC12H10O%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10H, 0.0332446321845055, 5.3750205039978, 0.103620365262032, 0.363268733024597, 0.966755390167236, 0.293284863233566, -0.289280444383621, 150.928375244141, 264.544677734375, -0.0272672846913338, 0.636731266975403, 113.616310119629, -120.18822479248, 210.663879394531, 0.0, 62.7066688537598, 0.507045805454254, 330.852111816406, -11.3288221359253, 16.758810043335, -49.9349670410156, 0.0403366945683956, 28.0876312255859, 0.0, -4.70682001113892, 13.8122491836548, 109.911186218262, 401.660797119141, 0.38914880156517, 87.5251617431641, 28.5899295806885, 12.8480701446533, 6.96283388137817
-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, 0.0211132895201445, 1.66153824329376, 0.204157426953316, 0.104436375200748, 0.978886723518372, 1.38201248645782, -0.11142136156559, 57.854923248291, 496.117980957031, -0.00837054010480642, 0.89556360244751, 438.263061523438, -61.7244186401367, 529.299682617188, 0.0, 32.0500602722168, 0.955461323261261, 591.024108886719, -4.63705253601074, 13.276180267334, -34.1936569213867, 0.0239653959870338, 17.9132328033447, 1.0, -2.56880140304565, 11.6961898803711, 274.8359375, 542.276733398438, 0.337241917848587, 293.217681884766, 52.4857902526855, 32.7962112426758, 7.35464429855347
-InChI%3D1S%2FC6H14%2Fc1-3-5-6-4-2%2Fh3-6H2%2C1-2H3, 0.0, 1.47947788238525, 0.0759071484208107, 0.0569194480776787, 1.0, 1.18553042411804, -0.0197901092469692, 18.0515251159668, 299.090087890625, -0.00363087258301675, 0.943080544471741, 281.03857421875, -6.27626705169678, 103.98950958252, 0.0, 5.72489023208618, 0.327896118164062, 110.265777587891, -1.15150082111359, 7.33628559112549, -1.99046552181244, 0.023132523521781, 8.48778629302979, 0.0, -0.365188807249069, 0.0, 94.8539123535156, 317.141632080078, 0.187427252531052, 32.9794006347656, 19.8951015472412, 15.3048982620239, 2.32664155960083
-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, 0.157643809914589, 1.17516076564789, 0.203545659780502, 0.345206946134567, 0.842356204986572, 0.422481626272202, -0.498615622520447, 181.398239135742, 344.078582763672, -0.0505530685186386, 0.654793083667755, 162.68034362793, -262.010955810547, 496.98583984375, 4.0, 95.3205718994141, 0.945780694484711, 758.996826171875, -26.5644664764404, 15.1494665145874, -137.680679321289, 0.0288299415260553, 41.7139320373535, 0.0, -13.9590110778809, 82.8381729125977, 180.805328369141, 442.638671875, 0.216043516993523, 261.154541015625, 33.6631011962891, 21.0528984069824, 7.96069383621216
-InChI%3D1S%2FC7H14N2O2S%2Fc1-7%282%2C12-4%295-9-11-6%2810%298-3%2Fh5H%2C1-4H3%2C%28H%2C8%2C10%29, 0.185873508453369, 8.05879306793213, 0.268463432788849, 0.28936243057251, 0.814126491546631, 2.21201705932617, -0.327127754688263, 141.579299926758, 347.700866699219, -0.0495177023112774, 0.71063756942749, 206.121566772461, -160.05712890625, 393.080078125, 2.0, 69.2719421386719, 0.80338442325592, 553.13720703125, -24.2280292510986, 19.5909805297852, -78.3127746582031, 0.0400404147803783, 43.8190116882324, 1.0, -11.8542947769165, 90.944221496582, 170.123138427734, 398.3359375, 0.286701619625092, 192.326278686523, 28.3591022491455, 20.8208980560303, 9.58547878265381
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-InChI%3D1S%2FC4H8O2%2Fc1-3-6-4%282%295%2Fh3H2%2C1-2H3, 0.20292255282402, 4.8392767906189, 0.414494305849075, 0.203148379921913, 0.797077417373657, 2.94597482681274, -0.126600012183189, 56.5811233520508, 221.940032958984, -0.0499794036149979, 0.796851634979248, 165.358917236328, -35.2607803344727, 138.310775756836, 2.0, 15.7590398788452, 0.496589839458466, 173.571563720703, -13.9203214645386, 9.19888877868652, -9.82087421417236, 0.0330276116728783, 23.1192111968994, 0.0, -3.87710428237915, 56.5182266235352, 61.814998626709, 222.0029296875, 0.507239401340485, 38.5224800109863, 13.978343963623, 11.6196556091309, 2.56208515167236
-InChI%3D1S%2FC6H7N%2Fc1-6-2-4-7-5-3-6%2Fh2-5H%2C1H3, 0.0931057408452034, 17.0755004882812, 0.192768275737762, 0.222629100084305, 0.906894266605377, 5.60345983505249, -0.0964056476950645, 66.9741439819336, 233.858688354492, -0.029958313331008, 0.777370929718018, 166.884536743164, -29.0019836425781, 101.268424987793, 1.0, 20.1480197906494, 0.336626917123795, 130.270416259766, -9.01244354248047, 11.244236946106, -8.7247486114502, 0.0373770259320736, 20.2566814422607, 0.0, -2.71123886108398, 28.0092620849609, 70.3523712158203, 272.823577880859, 0.60963761806488, 30.4648666381836, 16.3275508880615, 8.97244930267334, 3.38263559341431
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-InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H, 0.0132572911679745, 1.82078444957733, 0.16748870909214, 0.356703191995621, 0.986742734909058, 2.36761856079102, -0.285185128450394, 151.358459472656, 272.967620849609, -0.0224865488708019, 0.643296837806702, 121.609153747559, -121.011497497559, 218.238342285156, 1.0, 64.225341796875, 0.514317512512207, 339.249816894531, -9.54162883758545, 17.6623592376709, -51.3483352661133, 0.0416244938969612, 27.2039890289307, 1.0, -4.04876232147217, 5.62541437149048, 115.827278137207, 418.70068359375, 0.323671162128448, 92.6042175292969, 29.554723739624, 12.6852769851685, 7.49459981918335
-InChI%3D1S%2FC5H13N%2Fc1-5%282%2C3%294-6%2Fh4%2C6H2%2C1-3H3, 0.0812227502465248, 14.1480407714844, 0.221564680337906, 0.141976833343506, 0.918777227401733, 3.66629552841187, -0.0757622644305229, 40.0535049438477, 242.059448242188, -0.030004320666194, 0.858023166656494, 202.005950927734, -21.3735160827637, 129.168762207031, 1.0, 11.2996129989624, 0.457861840724945, 150.542282104492, -8.46460723876953, 9.51137256622314, -6.02974605560303, 0.0337147675454617, 17.975980758667, 1.0, -2.38797545433044, 22.9139919281006, 68.2881088256836, 259.198974609375, 0.617441117763519, 36.4401817321777, 18.5683097839355, 13.5516910552979, 2.68328166007996
-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, , , , , , , , , , , , , , , 2.0, , , , , , , , , 1.0, , , , , , , 41.6599655151367, 7.38203477859497, 
-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, , , , , , , , , , , , , , , 4.0, , , , , , , , , 0.0, , , , , , , 36.143482208252, 30.5745182037354, 
-InChI%3D1S%2FC8H6Cl2O%2Fc1-5%2811%297-3-2-6%289%294-8%287%2910%2Fh2-4H%2C1H3, 0.118015229701996, 19.0770397186279, 0.2481559664011, 0.595597684383392, 0.881984770298004, 0.70237535238266, -0.38756400346756, 213.146774291992, 144.723617553711, -0.0841881558299065, 0.404402315616608, -68.4231567382812, -138.697677612305, 94.1737442016602, 1.0, 76.278923034668, 0.263150423765182, 232.871429443359, -30.1284484863281, 7.38040542602539, -49.6357955932617, 0.0206231232732534, 37.5088539123535, 0.0, -10.7820796966553, 42.2341575622559, 51.7922973632812, 315.63623046875, 0.451696962118149, 33.7019958496094, 23.2427577972412, 8.3572416305542, 2.64122867584229
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-InChI%3D1S%2FC10H21N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3, 0.0, 0.0, 0.0720965266227722, 0.0561670735478401, 1.0, 0.771942615509033, -0.0362139083445072, 21.4479808807373, 360.412414550781, -0.00271674850955606, 0.94383293390274, 338.964416503906, -13.8286561965942, 232.377105712891, 1.0, 8.19013404846191, 0.608539402484894, 246.205749511719, -1.03741872310638, 10.3337602615356, -5.28061628341675, 0.0270616170018911, 11.3711786270142, 0.0, -0.396149098873138, 0.0, 137.627227783203, 381.860382080078, 0.465961277484894, 88.7356109619141, 32.7026519775391, 24.9373474121094, 3.94605350494385
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-InChI%3D1S%2FC11H14O4%2Fc1-7%2812%298-5-6-9%2813-2%2911%2815-4%2910%288%2914-3%2Fh5-6H%2C1-4H3, 0.145616754889488, 2.56230211257935, 0.115472048521042, 0.210933685302734, 0.854383230209351, 0.631870567798615, -0.29626676440239, 94.5522537231445, 353.703582763672, -0.0474937967956066, 0.789066314697266, 259.151306152344, -132.803298950195, 496.794097900391, 1.0, 42.3835983276367, 1.10828256607056, 629.597412109375, -21.2893695831299, 18.4289741516113, -59.5298500061035, 0.0411126278340816, 39.7183456420898, 0.0, -9.54308414459229, 65.2735595703125, 158.549682617188, 382.982269287109, 0.246498793363571, 222.690841674805, 31.9031028747559, 22.0108985900879, 8.26089477539062
-InChI%3D1S%2FC6H10O3%2Fc1-3-6%288%299-4-5%282%297%2Fh3%2C5%2C7H%2C1%2C4H2%2C2H3, 0.27132174372673, 11.3994359970093, 0.261761009693146, 0.27168208360672, 0.728678226470947, 1.12778830528259, -0.296243876218796, 101.506278991699, 272.115264892578, -0.0668034106492996, 0.72831791639328, 170.608978271484, -110.683090209961, 296.716217041016, 3.0, 37.924934387207, 0.794162452220917, 407.399291992188, -24.9591941833496, 18.5946235656738, -41.353588104248, 0.0497686080634594, 43.5538177490234, 1.0, -9.32529258728027, 101.371650695801, 101.668128967285, 272.249908447266, 0.358029544353485, 110.859565734863, 19.6339302062988, 13.8060703277588, 6.94735240936279
-InChI%3D1S%2FC9H16ClNO2%2Fc10-6-7-13-9%2812%2911-8-4-2-1-3-5-8%2Fh8H%2C1-7H2%2C%28H%2C11%2C12%29, 0.208443015813828, 8.59510231018066, 0.221418976783752, 0.303436696529388, 0.79155695438385, 2.88281798362732, -0.381811320781708, 134.674987792969, 309.157257080078, -0.0679007023572922, 0.696563303470612, 174.482269287109, -169.460174560547, 389.009460449219, 3.0, 59.7731018066406, 0.876478612422943, 558.469665527344, -30.1365222930908, 18.947696685791, -75.2118911743164, 0.0426911227405071, 49.0842170715332, 1.0, -13.3755598068237, 92.5137329101562, 137.213958740234, 351.318511962891, 0.258839070796967, 172.654937744141, 31.3926887512207, 21.1473121643066, 8.4095983505249
-InChI%3D1S%2FC8H16O%2Fc1-3-4-5-6-7-8%282%299%2Fh3-7H2%2C1-2H3, 0.121145449578762, 24.0365447998047, 0.223621174693108, 0.173247799277306, 0.87885457277298, 0.92126852273941, -0.100385472178459, 66.5073318481445, 317.378234863281, -0.0379583984613419, 0.826752185821533, 250.870895385742, -38.5365333557129, 183.899368286133, 1.0, 25.5312023162842, 0.479047387838364, 222.435913085938, -14.571681022644, 9.08875465393066, -14.7936182022095, 0.0236756876111031, 23.6604347229004, 0.0, -5.59385776519775, 46.5059852600098, 121.8369140625, 337.379547119141, 0.516848385334015, 70.5963134765625, 25.550687789917, 18.449312210083, 3.48904156684875
-InChI%3D1S%2FC8H17Br%2Fc1-2-3-4-5-6-7-8-9%2Fh2-8H2%2C1H3, 0.0, 22.6965656280518, 0.0887477323412895, 0.220888331532478, 1.0, 1.80621910095215, -0.113532342016697, 91.9982986450195, 324.494049072266, -0.029583889991045, 0.779111683368683, 232.495758056641, -47.2853546142578, 166.78369140625, 0.0, 38.3165893554688, 0.400448381900787, 214.069046020508, -12.3214645385742, 9.15710067749023, -19.6939888000488, 0.0219862386584282, 21.4785652160645, 0.0, -5.13179588317871, 0.0, 135.149291992188, 416.492370605469, 0.278719544410706, 69.4641342163086, 28.4654808044434, 19.8745193481445, 3.81386232376099
-InChI%3D1S%2FC13H10O2%2Fc14-10-11-6-8-13%289-7-11%2915-12-4-2-1-3-5-12%2Fh1-10H, 0.129586800932884, 4.24045181274414, 0.1481723934412, 0.37383246421814, 0.870413184165955, 6.8639178276062, -0.377700924873352, 175.977996826172, 294.762298583984, -0.050680123269558, 0.62616753578186, 118.784286499023, -177.799041748047, 297.812530517578, 1.0, 82.8399353027344, 0.632647216320038, 475.611572265625, -23.8571758270264, 23.6158790588379, -83.6971740722656, 0.0501675345003605, 47.4730567932129, 0.0, -11.2305335998535, 61.0017280578613, 138.756484985352, 409.738555908203, 0.307006597518921, 140.192352294922, 31.1519298553467, 13.8060703277588, 11.1169462203979
-InChI%3D1S%2FC4H11NO2%2Fc6-3-1-5-2-4-7%2Fh5-7H%2C1-4H2, 0.369469791650772, 13.735200881958, 0.190582737326622, 0.176191166043282, 0.630530178546906, 5.70014095306396, -0.193942934274673, 66.1050415039062, 309.084259033203, -0.0692663490772247, 0.82380884885788, 242.979217529297, -72.7653121948242, 340.225372314453, 3.0, 24.8019027709961, 0.906809866428375, 412.990661621094, -25.9879932403564, 28.4703769683838, -27.3007659912109, 0.0758827030658722, 54.4583702087402, 3.0, -9.75041675567627, 138.621109008789, 115.965103149414, 236.568176269531, 0.358316868543625, 127.648910522461, 17.0787239074707, 12.6852769851685, 10.6817808151245
-InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H, 0.139291644096375, 9.47982120513916, 0.249726191163063, 0.372370004653931, 0.860708355903625, 8.82255458831787, -0.324784398078918, 155.88444519043, 262.743377685547, -0.0375254675745964, 0.627629995346069, 106.858924865723, -135.963775634766, 229.167068481445, 0.0, 65.257568359375, 0.547424376010895, 365.130859375, -15.7092046737671, 21.9755516052246, -56.9182205200195, 0.0524942465126514, 37.684757232666, 1.0, -6.57630968093872, 58.3113555908203, 109.991683959961, 360.316467285156, 0.412481009960175, 95.9357147216797, 28.5899295806885, 10.9320697784424, 9.19957733154297
-InChI%3D1S%2FC10H11NO4%2Fc1-14-9%2812%296-3-4-7%288%2811%295-6%2910%2813%2915-2%2Fh3-5H%2C11H2%2C1-2H3, 0.317452937364578, 2.38486838340759, 0.186783105134964, 0.345924139022827, 0.682547032833099, 1.67998588085175, -0.545431554317474, 153.604278564453, 290.436096191406, -0.0811247527599335, 0.654075860977173, 136.831802368164, -242.193618774414, 457.941436767578, 5.0, 68.2064971923828, 1.0313059091568, 700.135070800781, -36.0226669311523, 22.1586952209473, -107.543739318848, 0.049902431666851, 58.1813583374023, 1.0, -15.9955177307129, 140.9619140625, 128.965347290039, 303.078430175781, 0.199860855937004, 203.344482421875, 29.2427234649658, 17.1132774353027, 9.83935451507568
-InChI%3D1S%2FC9H13N%2Fc1-2-10-8-9-6-4-3-5-7-9%2Fh3-7%2C10H%2C2%2C8H2%2C1H3, 0.0250598378479481, 4.45206451416016, 0.173523664474487, 0.243756294250488, 0.974940180778503, 2.61799263954163, -0.171712383627892, 97.690673828125, 303.081237792969, -0.0200117360800505, 0.756243705749512, 205.390548706055, -68.817497253418, 213.503402709961, 1.0, 39.1516761779785, 0.532730519771576, 282.320892333984, -8.02014064788818, 14.7450723648071, -27.5801181793213, 0.0367916822433472, 22.7652130126953, 1.0, -3.21424722671509, 10.0432786941528, 121.466438293457, 390.728607177734, 0.443287938833237, 85.5661697387695, 25.6083087921143, 14.8716907501221, 5.90941095352173
-InChI%3D1S%2FC3H6Cl2%2Fc4-2-1-3-5%2Fh1-3H2, 0.0, 31.9789848327637, 0.139952003955841, 0.400233715772629, 1.0, 1.55365943908691, -0.144772633910179, 180.566009521484, 270.585418701172, -0.0574321113526821, 0.599766254425049, 90.0193939208984, -65.3143844604492, 97.876220703125, 0.0, 81.4626159667969, 0.216947600245476, 163.19059753418, -25.9105777740479, 12.2042169570923, -29.4666767120361, 0.0270512662827969, 38.1147956848145, 0.0, -11.6895942687988, 0.0, 122.074989318848, 451.151428222656, 0.479308158159256, 44.1569938659668, 13.64075756073, 7.39924192428589, 5.50594997406006
-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, 0.0922674164175987, 12.6093120574951, 0.207315981388092, 0.278116106987, 0.907732605934143, 2.05464196205139, -0.281428217887878, 127.38981628418, 330.655609130859, -0.0385126210749149, 0.721883893013, 203.26579284668, -128.90690612793, 334.593383789062, 2.0, 58.3503227233887, 0.730480849742889, 463.500305175781, -17.6405296325684, 15.3907480239868, -59.0452156066895, 0.0336009189486504, 33.0312767028809, 1.0, -8.08016395568848, 42.2626686096191, 151.455291748047, 415.782745361328, 0.389753848314285, 153.258972167969, 32.5974807739258, 20.5645198822021, 7.04966163635254
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-InChI%3D1S%2FC11H22O%2Fc1-3-4-5-6-7-8-9-10-11%282%2912%2Fh3-10H2%2C1-2H3, 0.0700487643480301, 13.9959621429443, 0.175294801592827, 0.152121245861053, 0.929951250553131, 0.589868009090424, -0.112444154918194, 75.0192794799805, 418.135223388672, -0.0228774100542068, 0.847878754138947, 343.115936279297, -55.4523429870605, 309.074920654297, 1.0, 36.99609375, 0.626730382442474, 364.527252197266, -11.2820978164673, 11.7751016616821, -27.3465709686279, 0.0238771047443151, 23.0571994781494, 0.0, -5.56381702423096, 34.544864654541, 206.205261230469, 458.609619140625, 0.405153214931488, 152.421676635742, 34.8314476013184, 25.0085544586182, 5.80694437026978
-InChI%3D1S%2FC6H4Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H, 0.0, 18.5156059265137, 0.218197420239449, 0.626465737819672, 1.0, 1.1116464138031, -0.279192894697189, 191.632080078125, 114.26188659668, -0.064029760658741, 0.373534291982651, -77.3701934814453, -85.4034194946289, 50.9223518371582, 0.0, 58.6190948486328, 0.166470602154732, 136.325775146484, -19.5863170623779, 7.50611209869385, -26.1243915557861, 0.0245382823050022, 27.0924301147461, 0.0, -5.99133634567261, 0.0, 34.9520225524902, 305.893951416016, 0.286732971668243, 15.5768394470215, 17.5871715545654, 5.21282815933228, 2.29607439041138
-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, 0.104365542531013, 3.30100440979004, 0.146500036120415, 0.347729116678238, 0.895634472370148, 2.9716625213623, -0.398942112922668, 160.643646240234, 301.335632324219, -0.0450740121304989, 0.652270913124084, 140.692001342773, -184.302993774414, 345.715881347656, 1.0, 74.2140350341797, 0.748336315155029, 530.018859863281, -20.8232593536377, 20.0551433563232, -85.1441650390625, 0.04341134801507, 40.8784027099609, 0.0, -9.61991500854492, 48.2147178649902, 139.210830688477, 413.764587402344, 0.293444722890854, 159.713577270508, 36.0055160522461, 15.9924840927124, 9.265061378479
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-InChI%3D1S%2FC5H10O%2Fc1-3-5%286%294-2%2Fh3-4H2%2C1-2H3, 0.140490278601646, 32.2295265197754, 0.317445576190948, 0.242504611611366, 0.859509706497192, 0.838591754436493, -0.100912295281887, 77.3750839233398, 241.691360473633, -0.0479980409145355, 0.757495403289795, 164.316268920898, -32.1977272033691, 100.573883056641, 1.0, 24.6877937316895, 0.315212965011597, 132.771606445312, -15.3145637512207, 6.65292739868164, -10.27321434021, 0.0208512283861637, 21.9674911499023, 0.0, -4.88636350631714, 44.8257331848145, 77.115608215332, 274.24072265625, 0.718996107578278, 32.0897521972656, 16.2699298858643, 11.8900699615479, 2.12272596359253
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-InChI%3D1S%2F2C4H7Cl3O.H2O%2Fc2%2A1-3%282%2C8%294%285%2C6%297%3B%2Fh2%2A8H%2C1-2H3%3B1H2, , , , , , , , , , , , , , , 3.0, , , , , , , , , 3.0, , , , , , , 40.2346878051758, 18.0953121185303, 
-InChI%3D1S%2FC4H6O2%2Fc5-3-1-2-4-6%2Fh5-6H%2C3-4H2, 0.434745371341705, 16.1839733123779, 0.23176221549511, 0.342885136604309, 0.565254628658295, 9.19793701171875, -0.312285780906677, 109.914703369141, 210.643692016602, -0.0984568521380424, 0.657114863395691, 100.728981018066, -100.105827331543, 191.845672607422, 2.0, 35.2340812683105, 0.598473370075226, 291.951507568359, -31.5611705780029, 25.0287837982178, -32.0897636413574, 0.0780787020921707, 56.5899543762207, 2.0, -10.1171979904175, 139.361282348633, 67.5236053466797, 181.197113037109, 0.420636683702469, 61.4977378845215, 12.6447582244873, 6.559241771698, 8.02318668365479
-InChI%3D1S%2FC4H5NO%2Fc1-4-2-6-3-5-4%2Fh2-3H%2C1H3, 0.123065233230591, 13.5267238616943, 0.177729547023773, 0.207334995269775, 0.876934766769409, 4.18337297439575, -0.145367786288261, 62.9061965942383, 240.497451782227, -0.0460291653871536, 0.792665004730225, 177.591262817383, -44.1051177978516, 168.61882019043, 2.0, 19.0859699249268, 0.555757343769073, 212.723937988281, -13.9654178619385, 13.1969919204712, -13.3816537857056, 0.0434964820742607, 27.1624088287354, 1.0, -4.23715877532959, 37.3384437561035, 72.9678115844727, 266.065216064453, 0.51909738779068, 51.1595649719238, 14.9431371688843, 12.4148626327515, 4.00401544570923
-InChI%3D1S%2FC3H6Br2%2Fc4-2-1-3-5%2Fh1-3H2, 0.0, 35.2299880981445, 0.147976875305176, 0.453697055578232, 1.0, 3.73839569091797, -0.139994025230408, 179.808395385742, 216.509796142578, -0.0579029396176338, 0.546302914619446, 36.7013931274414, -55.482177734375, 66.8068618774414, 0.0, 71.261344909668, 0.16856874525547, 122.289039611816, -22.9479885101318, 8.46609973907471, -21.9885959625244, 0.0213618744164705, 31.4140892028809, 0.0, -9.09470558166504, 0.0, 85.806770324707, 396.318206787109, 0.464115828275681, 26.4767742156982, 15.3807582855225, 9.13924217224121, 3.35526943206787
-InChI%3D1S%2FC6H12O%2Fc1-3-5-6%287%294-2%2Fh4%2C6-7H%2C2-3%2C5H2%2C1H3, 0.137363478541374, 16.9714488983154, 0.303332686424255, 0.223848387598991, 0.862636506557465, 4.85157585144043, -0.155389949679375, 75.4902572631836, 261.748077392578, -0.0459963902831078, 0.776151597499847, 186.257827758789, -52.4034461975098, 181.698974609375, 1.0, 25.4582080841064, 0.538785040378571, 234.102416992188, -15.5117464065552, 12.6912221908569, -17.6724510192871, 0.0376327969133854, 28.2029685974121, 1.0, -5.23115539550781, 46.3242301940918, 88.271484375, 290.914093017578, 0.559560000896454, 61.2758560180664, 19.3635158538818, 13.118483543396, 4.27996635437012
-InChI%3D1S%2FC6H4N2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H, 0.23644545674324, 25.2492961883545, 0.2759148478508, 0.466802388429642, 0.763554573059082, 17.2328186035156, -0.29179635643959, 167.287353515625, 191.081314086914, -0.0703338012099266, 0.533197581768036, 23.7939643859863, -104.570678710938, 119.444190979004, 2.0, 59.9505462646484, 0.33329975605011, 224.014862060547, -25.2054328918457, 19.4990062713623, -37.474853515625, 0.0544104650616646, 44.7044372558594, 0.0, -9.0328369140625, 84.7346420288086, 68.4775619506836, 273.634033203125, 0.407264024019241, 42.8050575256348, 15.4271717071533, 6.35282802581787, 6.98783302307129
-InChI%3D1S%2FC9H19NO%2Fc1-4-10%285-2%298-6-7-9%283%2911%2Fh4-8H2%2C1-3H3, 0.0868018269538879, 0.566574275493622, 0.171093374490738, 0.152661085128784, 0.913198173046112, 0.67796266078949, -0.115656174719334, 60.2863616943359, 334.616912841797, -0.0279652699828148, 0.847338914871216, 274.33056640625, -45.6730041503906, 253.506088256836, 2.0, 23.8072814941406, 0.641944766044617, 299.179107666016, -11.0435771942139, 10.792103767395, -18.0364189147949, 0.0273284744471312, 21.8356819152832, 0.0, -4.36114501953125, 34.2783279418945, 132.141326904297, 360.624969482422, 0.400769293308258, 100.110389709473, 30.4110660552979, 23.7089328765869, 4.26183748245239
-InChI%3D1S%2FC6H14S%2Fc1-3-5-7-6-4-2%2Fh3-6H2%2C1-2H3, 0.0, 15.2070455551147, 0.0950225442647934, 0.193124160170555, 1.0, 1.90029239654541, -0.076863668859005, 72.2802581787109, 301.988067626953, -0.0210275650024414, 0.806875824928284, 229.707824707031, -28.7676372528076, 120.191650390625, 0.0, 27.0522117614746, 0.321137636899948, 148.959289550781, -7.8699517250061, 8.15844058990479, -10.7668161392212, 0.0217983722686768, 16.028392791748, 0.0, -2.94547390937805, 0.0, 113.024574279785, 374.268341064453, 0.405542314052582, 44.9839286804199, 22.7951011657715, 17.5848979949951, 3.05344605445862
-InChI%3D1S%2FC9H18O2%2Fc1-2-3-4-5-6-7-8-9%2810%2911%2Fh2-8H2%2C1H3%2C%28H%2C10%2C11%29, 0.221506014466286, 9.78578853607178, 0.265375077724457, 0.223399639129639, 0.778494000434875, 1.4938782453537, -0.217907533049583, 105.810470581055, 367.827117919922, -0.05015904083848, 0.776600360870361, 262.016662597656, -103.209205627441, 358.784393310547, 2.0, 50.1158142089844, 0.757508277893066, 461.993591308594, -23.7572078704834, 15.8694677352905, -48.8837585449219, 0.0335055068135262, 39.6266746520996, 1.0, -11.2523059844971, 104.91357421875, 174.216751098633, 368.724029541016, 0.339877158403397, 169.933776855469, 29.4462738037109, 20.6357269287109, 7.51637649536133
-InChI%3D1S%2FC7H6Cl2O2%2Fc1-11-7-3-5%289%294%288%292-6%287%2910%2Fh2-3%2C10H%2C1H3, 0.177564054727554, 12.9952697753906, 0.225817576050758, 0.555982887744904, 0.822435915470123, 3.46191430091858, -0.536506116390228, 197.811752319336, 157.975738525391, -0.0945324599742889, 0.444017112255096, -39.8360176086426, -190.882171630859, 152.441665649414, 0.0, 70.3789520263672, 0.428462654352188, 343.323822021484, -33.6334686279297, 12.3673686981201, -67.9134902954102, 0.0347605496644974, 46.0008354187012, 1.0, -11.9663667678833, 63.1750717163086, 56.2057914733887, 292.612426757812, 0.370684623718262, 54.2368354797363, 22.2847576141357, 9.31524181365967, 4.40015506744385
-InChI%3D1S%2FC5H8O%2Fc1-3-4-5%282%296%2Fh1%2C5-6H%2C4H2%2C2H3, 0.133965402841568, 18.8999843597412, 0.321850091218948, 0.430982142686844, 0.86603456735611, 5.15486812591553, -0.281404703855515, 152.857971191406, 201.815582275391, -0.0721204802393913, 0.569017827510834, 48.9576148986816, -99.8068084716797, 131.773101806641, 1.0, 54.2146797180176, 0.37153348326683, 231.57991027832, -25.5792293548584, 14.5800428390503, -35.3988342285156, 0.0411083474755287, 40.1592712402344, 1.0, -9.07227611541748, 47.513988494873, 71.5786514282227, 307.159576416016, 0.600044727325439, 46.7364349365234, 14.9363441467285, 8.74565601348877, 5.17115592956543
-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, 0.173041701316833, 1.72197163105011, 0.137503206729889, 0.475065112113953, 0.826958298683167, 0.618373572826385, -1.20874345302582, 371.424591064453, 410.414733886719, -0.0750695541501045, 0.524934887886047, 38.9901351928711, -945.043151855469, 1044.24865722656, 3.0, 290.394348144531, 1.33563077449799, 1989.29187011719, -58.692325592041, 26.5342178344727, -738.871887207031, 0.0339381992816925, 85.2265472412109, 0.0, -45.8879661560059, 135.290802001953, 320.878356933594, 646.548522949219, 0.121905036270618, 816.434631347656, 66.5182418823242, 34.9157600402832, 20.7454948425293
-InChI%3D1S%2FC13H26O%2Fc1-3-4-5-6-7-8-9-10-11-12-13%282%2914%2Fh3-12H2%2C1-2H3, 0.073354996740818, 15.4506702423096, 0.153220057487488, 0.154835358262062, 0.92664498090744, 0.573409140110016, -0.130939468741417, 92.0919952392578, 502.681701660156, -0.0254831407219172, 0.845164656639099, 410.589691162109, -77.8793487548828, 425.102325439453, 1.0, 54.7738952636719, 0.71472954750061, 502.981689453125, -15.1567010879517, 13.6946153640747, -46.3205871582031, 0.0230249185115099, 28.8513164520264, 0.0, -9.01480674743652, 43.6296195983887, 298.981842041016, 551.14404296875, 0.35413259267807, 252.839691162109, 41.0186195373535, 29.3813819885254, 8.14519691467285
-InChI%3D1S%2FC8H12N2%2Fc9-7-5-3-1-2-4-6-8-10%2Fh1-6H2, 0.294083416461945, 23.3165550231934, 0.162536129355431, 0.29894158244133, 0.705916583538055, 10.090184211731, -0.21181458234787, 127.719680786133, 299.519897460938, -0.0774547681212425, 0.701058387756348, 171.800216674805, -90.4955749511719, 212.224349975586, 2.0, 54.5669021606445, 0.496733814477921, 302.719940185547, -33.0917434692383, 16.519136428833, -38.6632919311523, 0.038664810359478, 49.6108818054199, 0.0, -14.1381025314331, 125.644073486328, 127.966758728027, 301.595520019531, 0.370631188154221, 90.6706390380859, 24.28151512146, 14.4384841918945, 7.05762910842896
-InChI%3D1S%2FC10H10O%2Fc1-3-10%282%2C11%299-7-5-4-6-8-9%2Fh1%2C4-8%2C11H%2C2H3, 0.101153634488583, 8.42989349365234, 0.242122560739517, 0.374919563531876, 0.898846387863159, 4.77777242660522, -0.328514575958252, 146.499420166016, 244.249542236328, -0.0440812855958939, 0.625080466270447, 97.7501068115234, -128.366729736328, 214.018005371094, 1.0, 57.244499206543, 0.54771226644516, 342.384735107422, -17.2247161865234, 19.0577659606934, -50.1591682434082, 0.0487724058330059, 36.2824821472168, 1.0, -6.73054027557373, 39.5256767272949, 95.4402542114258, 351.223297119141, 0.425906836986542, 83.627311706543, 25.0699291229248, 10.9320697784424, 7.44680261611938
-InChI%3D1S%2FC8H18O%2Fc1-2-3-4-5-6-7-8-9%2Fh9H%2C2-8H2%2C1H3, 0.135934010148048, 13.5348491668701, 0.276798814535141, 0.0978098884224892, 0.864066004753113, 7.58683919906616, -0.0741081088781357, 38.3694343566895, 353.916381835938, -0.0280149411410093, 0.902190089225769, 315.546936035156, -29.0715599060059, 268.153594970703, 1.0, 15.0517845153809, 0.683566868305206, 297.225158691406, -10.9898643493652, 15.5874309539795, -11.4043607711792, 0.0397348813712597, 26.5772953033447, 1.0, -4.31116771697998, 53.3249855041504, 138.836380004883, 338.960815429688, 0.52226310968399, 105.192848205566, 26.8842735290527, 19.6777267456055, 6.11472797393799
-InChI%3D1S%2FC18H39O7P%2Fc1-4-7-10-20-13-16-23-26%2819%2C24-17-14-21-11-8-5-2%2925-18-15-22-12-9-6-3%2Fh4-18H2%2C1-3H3, 0.127249732613564, 0.362578570842743, 0.171554133296013, 0.156241402029991, 0.872750282287598, 0.378025144338608, -0.4135861992836, 108.796318054199, 587.538391113281, -0.0378971323370934, 0.843758583068848, 478.742095947266, -287.994415283203, 1555.27124023438, 7.0, 75.7586517333984, 2.23351097106934, 1843.26574707031, -26.389087677002, 25.2028293609619, -200.540512084961, 0.0361935570836067, 51.5919189453125, 0.0, -18.375638961792, 88.6084060668945, 409.123382568359, 607.726318359375, 0.143050521612167, 1082.98937988281, 66.9289245605469, 62.5690727233887, 17.5496044158936
-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, , , , , , , , , , , , , , , 0.0, , , , , , , , , 0.0, , , , , , , 31.6251010894775, 17.9448986053467, 
-InChI%3D1S%2FC12H16%2Fc1-5-10-6-8-11%289-7-10%2912%282%2C3%294%2Fh5-9H%2C1H2%2C2-4H3, 0.0, 3.73672342300415, 0.0986850187182426, 0.239885166287422, 1.0, 1.64606857299805, -0.151566416025162, 99.9752655029297, 316.787719726562, -0.0156678073108196, 0.760114848613739, 216.812469482422, -63.1672706604004, 200.155685424805, 0.0, 41.6659889221191, 0.480262607336044, 263.322967529297, -6.52976226806641, 12.6305313110352, -26.3257808685303, 0.0303062684834003, 19.1602935791016, 0.0, -2.72136330604553, 0.0, 132.025405883789, 416.763000488281, 0.155320033431053, 83.41748046875, 31.788688659668, 17.4913120269775, 5.26393795013428
-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, 0.0178066808730364, 2.09174251556396, 0.232796147465706, 0.196501612663269, 0.982193291187286, 0.926986992359161, -0.18385361135006, 103.968086242676, 425.127258300781, -0.0137013746425509, 0.803498387336731, 321.1591796875, -97.2760925292969, 397.763580322266, 0.0, 55.009033203125, 0.75178050994873, 495.039672851562, -7.24933338165283, 11.7947092056274, -51.4683265686035, 0.0222922191023827, 19.0440425872803, 1.0, -3.8355884552002, 9.42143154144287, 224.932846069336, 519.673889160156, 0.3845494389534, 210.454849243164, 43.2050323486328, 26.236967086792, 6.24052572250366
-InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H, 0.393022000789642, 11.193151473999, 0.244030743837357, 0.410040318965912, 0.606977999210358, 8.84267711639404, -0.366143226623535, 125.972579956055, 181.247421264648, -0.0832165479660034, 0.589959681034088, 55.2748336791992, -112.486518859863, 161.843872070312, 0.0, 38.7012939453125, 0.526801228523254, 274.330383300781, -25.5657863616943, 21.0155582427979, -34.55810546875, 0.0684055685997009, 46.5813446044922, 2.0, -7.85432100296021, 120.744216918945, 55.6828308105469, 186.475784301758, 0.400645881891251, 49.7216758728027, 16.164758682251, 6.559241771698, 6.45639944076538
-InChI%3D1S%2FC9H21N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-10H2%2C1H3, 0.0493996776640415, 10.0615520477295, 0.154916271567345, 0.132127046585083, 0.950600326061249, 3.48189830780029, -0.100823260843754, 62.2322998046875, 408.771209716797, -0.0212670061737299, 0.867872953414917, 346.538909912109, -47.488109588623, 311.924377441406, 1.0, 29.3116321563721, 0.662254929542542, 359.412506103516, -10.0168352127075, 15.3309412002563, -22.3670673370361, 0.0325495265424252, 25.3477764129639, 1.0, -4.71796417236328, 23.2674198150635, 192.532669067383, 447.736083984375, 0.432430922985077, 146.91748046875, 30.9426536560059, 22.2973461151123, 7.2209267616272
-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, 0.222327381372452, 1.30710315704346, 0.202323764562607, 0.258887320756912, 0.777672588825226, 0.839890837669373, -0.362578362226486, 115.716423034668, 331.259582519531, -0.0511766374111176, 0.741112649440765, 215.543151855469, -162.063827514648, 463.937530517578, 2.0, 51.7224655151367, 1.03794729709625, 626.001342773438, -22.8747291564941, 18.7793617248535, -72.4386444091797, 0.0420142486691475, 41.6540908813477, 1.0, -10.2244548797607, 99.3750076293945, 148.065078735352, 347.600982666016, 0.240300014615059, 207.368942260742, 34.6278953552246, 21.5501041412354, 8.39392375946045
-InChI%3D1S%2FC3H10N2%2Fc4-2-1-3-5%2Fh1-5H2, 0.20551386475563, 18.1111621856689, 0.16896003484726, 0.271271795034409, 0.794486165046692, 6.8176417350769, -0.189796775579453, 102.361236572266, 274.97705078125, -0.0682080313563347, 0.728728234767914, 172.615829467773, -71.6175918579102, 192.389190673828, 2.0, 38.624813079834, 0.50985860824585, 264.006774902344, -25.7375030517578, 22.1528148651123, -27.0240612030029, 0.0587081015110016, 47.8903198242188, 2.0, -9.71174621582031, 77.5482482910156, 103.759376525879, 299.7900390625, 0.471571564674377, 72.5958099365234, 14.1479301452637, 9.61207008361816, 8.35910606384277
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-InChI%3D1S%2FC11H12O2%2Fc1-9%282%2911%2812%2913-8-10-6-4-3-5-7-10%2Fh3-7H%2C1%2C8H2%2C2H3, 0.104303658008575, 0.415026158094406, 0.285148501396179, 0.309061199426651, 0.895696341991425, 3.21934533119202, -0.312804669141769, 136.994445800781, 306.265502929688, -0.0354175008833408, 0.690938830375671, 169.271041870117, -138.653778076172, 309.975128173828, 2.0, 60.7241477966309, 0.699307799339294, 448.62890625, -15.6991596221924, 18.3528022766113, -61.4596633911133, 0.0414041541516781, 34.0519638061523, 0.0, -6.95880842208862, 46.2336311340332, 135.755218505859, 397.026306152344, 0.3036068379879, 137.399551391602, 28.9655151367188, 15.9924840927124, 8.1350622177124
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-InChI%3D1S%2FC13H8Cl2O2%2Fc14-12-5-4-11%287-13%2812%2915%2917-10-3-1-2-9%286-10%298-16%2Fh1-8H, 0.110725931823254, 3.87105011940002, 0.137083455920219, 0.507722973823547, 0.889274060726166, 6.05708122253418, -0.554805099964142, 278.150451660156, 269.688537597656, -0.070824883878231, 0.492277026176453, -8.46189594268799, -303.943878173828, 294.697296142578, 1.0, 152.381652832031, 0.537926852703094, 598.641174316406, -38.8006362915039, 23.3476982116699, -166.512313842773, 0.0426178090274334, 62.1483306884766, 0.0, -21.2565002441406, 60.6599807739258, 147.745910644531, 487.179016113281, 0.283772706985474, 161.446670532227, 34.1783447265625, 12.4596557617188, 12.7907791137695
-InChI%3D1S%2FC8H8O3%2Fc1-11-7-4-2-3-6%285-9%298%287%2910%2Fh2-5%2C10H%2C1H3, 0.30103799700737, 8.93816757202148, 0.191778019070625, 0.365045189857483, 0.698962032794952, 2.83824753761292, -0.415286689996719, 124.725776672363, 216.946380615234, -0.0885202065110207, 0.634954810142517, 92.2206039428711, -141.891906738281, 246.804901123047, 1.0, 42.6153259277344, 0.722344219684601, 388.696807861328, -30.2448902130127, 17.7373676300049, -48.4805107116699, 0.0519134104251862, 47.9822578430176, 1.0, -10.3338375091553, 102.856300354004, 74.1245346069336, 238.815856933594, 0.314166814088821, 84.3263626098633, 21.8203449249268, 11.6196556091309, 6.06036472320557
-InChI%3D1S%2FC10H22N2%2Fc1-9%282%2C11%298-4-6-10%283%2C12%297-5-8%2Fh8H%2C4-7%2C11-12H2%2C1-3H3, 0.0765853822231293, 5.08811807632446, 0.121431134641171, 0.125062987208366, 0.923414647579193, 1.73535323143005, -0.122374504804611, 49.4902305603027, 346.232177734375, -0.0271357279270887, 0.874936997890472, 296.741943359375, -48.4263343811035, 338.789184570312, 2.0, 19.5843925476074, 0.856128394603729, 387.215545654297, -10.7382154464722, 14.7795066833496, -19.1633853912354, 0.0373481698334217, 25.5177230834961, 2.0, -4.24935245513916, 30.3065509796143, 137.011825561523, 365.415863037109, 0.332225292921066, 134.066482543945, 34.4694442749023, 22.7305545806885, 5.84858226776123
-InChI%3D1S%2FC8H14O3%2Fc1-4-10-5-6-11-8%289%297%282%293%2Fh2%2C4-6H2%2C1%2C3H3, 0.124682538211346, 3.81054401397705, 0.258689552545547, 0.210162177681923, 0.875317454338074, 1.36675357818604, -0.234267950057983, 85.9029235839844, 322.842956542969, -0.0400731973350048, 0.789837837219238, 236.940032958984, -95.7560577392578, 359.873291015625, 3.0, 35.1124649047852, 0.880432844161987, 455.629364013672, -16.3797550201416, 14.6717014312744, -39.1398963928223, 0.0358944348990917, 31.051456451416, 0.0, -6.69515705108643, 50.9634704589844, 131.960723876953, 357.782409667969, 0.339600324630737, 147.096725463867, 25.821102142334, 20.094898223877, 5.99699735641479
-InChI%3D1S%2FC6H6BrN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2, 0.0549089871346951, 10.4936399459839, 0.218528717756271, 0.428335249423981, 0.945091009140015, 6.65200042724609, -0.243246674537659, 153.704879760742, 205.137588500977, -0.0453437268733978, 0.571664750576019, 51.4327163696289, -87.287239074707, 116.49528503418, 1.0, 55.1558380126953, 0.32464188337326, 203.782531738281, -16.2712535858154, 15.8149013519287, -31.3223686218262, 0.0440719872713089, 32.0861549377441, 1.0, -5.83881711959839, 19.7036762237549, 73.6120758056641, 339.138793945312, 0.532572686672211, 41.8034553527832, 18.7107582092285, 7.18924188613892, 5.67505788803101
-InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29, 0.0665862485766411, 4.90210580825806, 0.193905726075172, 0.149772450327873, 0.933413743972778, 4.0493745803833, -0.095475971698761, 46.3731460571289, 263.250854492188, -0.0230360459536314, 0.850227534770966, 216.877716064453, -29.561653137207, 167.815460205078, 2.0, 14.3582401275635, 0.54199755191803, 197.377105712891, -7.13251256942749, 13.5757150650024, -9.15299797058105, 0.0438458062708378, 20.7082271575928, 2.0, -2.20839715003967, 20.6167011260986, 81.5087890625, 289.00732421875, 0.471505552530289, 51.9596939086914, 15.9079303741455, 12.2520704269409, 4.20336723327637
-InChI%3D1S%2FC8H6ClN%2Fc1-6-3-2-4-8%289%297%286%295-10%2Fh2-4H%2C1H3, 0.155142515897751, 23.1224060058594, 0.254720419645309, 0.531701147556305, 0.844857454299927, 2.8838210105896, -0.32286348938942, 187.847015380859, 165.447326660156, -0.0732380747795105, 0.468298822641373, -22.3996868133545, -114.065841674805, 100.464141845703, 1.0, 66.3652877807617, 0.284363865852356, 214.529983520508, -25.8745975494385, 9.19201374053955, -40.2988166809082, 0.0260180030018091, 35.0666122436523, 0.0, -9.14134883880615, 54.8109741210938, 58.4516067504883, 298.483367919922, 0.421857237815857, 35.4934120178223, 21.3607578277588, 7.63924217224121, 3.24748635292053
-InChI%3D1S%2FC13H13NO%2Fc14-12-7-4-8-13%289-12%2915-10-11-5-2-1-3-6-11%2Fh1-9H%2C10%2C14H2, 0.0826227590441704, 2.77773308753967, 0.11171367764473, 0.357114434242249, 0.917377233505249, 3.32888865470886, -0.396713256835938, 198.395782470703, 357.156616210938, -0.0398773960769176, 0.642885565757751, 158.760833740234, -220.395004272461, 396.760101318359, 1.0, 110.219253540039, 0.71417224407196, 617.155090332031, -22.1539821624756, 26.1097412109375, -122.440971374512, 0.0469978004693985, 48.2637214660645, 1.0, -12.3076972961426, 45.9012718200684, 198.419204711914, 509.651123046875, 0.30671900510788, 220.421020507812, 33.450309753418, 15.4676914215088, 14.5053291320801
-InChI%3D1S%2FC3H6O2.Na%2Fc1-2-3%284%295%3B%2Fh2H2%2C1H3%2C%28H%2C4%2C5%29%3B%2Fq%3B%2B1%2Fp-1, , , , , , , , , , , , , , , 2.0, , , , , , , , , 0.0, , , , , , , 33.8179664611816, 7.38203477859497, 
-InChI%3D1S%2FC6H11NO%2Fc8-7-6-4-2-1-3-5-6%2Fh8H%2C1-5H2, 0.208846792578697, 12.191686630249, 0.422991335391998, 0.235886856913567, 0.791153192520142, 19.0236644744873, -0.137997761368752, 81.0010528564453, 262.388366699219, -0.0358724258840084, 0.764113128185272, 181.387313842773, -47.3869743347168, 153.501602172852, 0.0, 27.8149032592773, 0.447019010782242, 200.888580322266, -12.318211555481, 17.5073337554932, -16.2721843719482, 0.050983902066946, 29.8255443572998, 1.0, -4.22994375228882, 71.7157745361328, 90.1013870239258, 271.673645019531, 0.455906242132187, 52.7108268737793, 19.7967224121094, 12.0252771377563, 6.01183271408081
-InChI%3D1S%2FC2H5NO%2Fc1-2-3-4%2Fh2%2C4H%2C1H3, 0.278957337141037, 21.2021465301514, 0.557863891124725, 0.325961917638779, 0.721042633056641, 26.7184638977051, -0.144583776593208, 97.1288223266602, 200.847152709961, -0.0497126653790474, 0.674038052558899, 103.718330383301, -43.0824928283691, 89.0878295898438, 0.0, 28.9420566558838, 0.298976540565491, 132.170333862305, -14.8131809234619, 17.7727470397949, -12.8375482559204, 0.0596449002623558, 32.5859298706055, 1.0, -4.41397190093994, 83.1225891113281, 59.8476295471191, 214.853393554688, 0.601848840713501, 26.5460338592529, 8.75596523284912, 5.46603488922119, 5.2958517074585
-InChI%3D1S%2FC6H12ClN.ClH%2Fc7-3-6-8-4-1-2-5-8%3B%2Fh1-6H2%3B1H, , , , , , , , , , , , , , , 1.0, , , , , , , , , 0.0, , , , , , , 24.6883087158203, 17.0316905975342, 
-InChI%3D1S%2FC9H13N%2Fc1-3-10-9-6-4-5-8%282%297-9%2Fh4-7%2C10H%2C3H2%2C1-2H3, 0.0178581140935421, 3.11029887199402, 0.200786650180817, 0.236450210213661, 0.98214191198349, 2.65620350837708, -0.150593608617783, 90.8617630004883, 293.412658691406, -0.015581919811666, 0.7635498046875, 202.550888061523, -57.8692665100098, 186.872604370117, 1.0, 34.9158515930176, 0.486299902200699, 244.74186706543, -5.98773288726807, 12.5279102325439, -22.237678527832, 0.0326014682650566, 18.5156440734863, 1.0, -2.30093264579773, 6.86241626739502, 112.750968933105, 377.411987304688, 0.453236699104309, 71.8103637695312, 25.6083087921143, 14.8716907501221, 4.81415557861328
-InChI%3D1S%2FC8H19N%2Fc1-7%282%2C3%296-8%284%2C5%299%2Fh6%2C9H2%2C1-5H3, 0.0422772243618965, 7.2262134552002, 0.178148671984673, 0.108779661357403, 0.957722783088684, 2.94393706321716, -0.0725479051470757, 38.1180229187012, 312.296966552734, -0.0173846744000912, 0.891220331192017, 274.178924560547, -25.4218711853027, 208.278717041016, 1.0, 13.3571262359619, 0.594377338886261, 233.700592041016, -6.09185028076172, 10.1461601257324, -8.90820503234863, 0.0289546996355057, 16.2380104064941, 1.0, -2.1346755027771, 14.8145732879639, 109.433532714844, 335.600402832031, 0.487777382135391, 72.9839859008789, 27.8490676879883, 20.110933303833, 3.55536651611328
-InChI%3D1S%2FC10H18O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7-8%2C11H%2C4-6H2%2C1-3H3%2Ft7-%2C8%2B%2C10%2B%2Fm0%2Fs1, 0.117803305387497, 12.6102409362793, 0.283343851566315, 0.135402783751488, 0.882196664810181, 4.72618246078491, -0.100423015654087, 46.6026649475098, 297.575378417969, -0.0304641351103783, 0.864597201347351, 250.972717285156, -34.5633964538574, 220.700180053711, 1.0, 16.0396137237549, 0.641238391399384, 255.263580322266, -10.48508644104, 11.1736183166504, -11.8959627151489, 0.0324646458029747, 21.6587047576904, 1.0, -3.60873675346375, 40.5453147888184, 102.418914794922, 303.632751464844, 0.528392553329468, 75.9601593017578, 30.4042739868164, 19.6777267456055, 3.84571409225464
-InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3, 0.0, 1.56253528594971, 0.142807096242905, 0.205583781003952, 1.0, 2.09454011917114, -0.0896725505590439, 70.7594680786133, 273.428527832031, -0.0102966008707881, 0.79441624879837, 202.669052124023, -30.8642158508301, 119.265411376953, 0.0, 24.3545570373535, 0.346512407064438, 150.129623413086, -3.54396629333496, 9.57419967651367, -10.6230916976929, 0.0278167743235826, 13.1181659698486, 0.0, -1.21979057788849, 0.0, 94.1108093261719, 344.18798828125, 0.134284555912018, 41.0497207641602, 23.841516494751, 13.118483543396, 3.29532432556152
-InChI%3D1S%2FC5H10O2%2Fc1-3-4-7-5%282%296%2Fh3-4H2%2C1-2H3, 0.216255083680153, 3.97302317619324, 0.381613403558731, 0.22155100107193, 0.783744931221008, 3.09631633758545, -0.149969875812531, 69.7285385131836, 245.000534057617, -0.0538115575909615, 0.77844899892807, 175.272003173828, -47.1998825073242, 165.84309387207, 2.0, 21.9455986022949, 0.526939213275909, 213.04296875, -16.9360618591309, 9.59080123901367, -14.8551759719849, 0.0304731987416744, 26.5268630981445, 0.0, -5.33027124404907, 68.0617599487305, 77.1087951660156, 246.66731262207, 0.46658119559288, 52.1956443786621, 17.0719299316406, 13.8060703277588, 3.01850414276123
-InChI%3D1S%2FC7H12O2%2Fc1-5%282%297%288%299-6%283%294%2Fh6H%2C1H2%2C2-4H3, 0.0913812816143036, 0.742763817310333, 0.37431925535202, 0.203929618000984, 0.908618748188019, 1.8364063501358, -0.157192066311836, 75.900993347168, 296.291107177734, -0.0287317726761103, 0.796070396900177, 220.390106201172, -58.5056419372559, 228.385696411133, 2.0, 28.2497501373291, 0.613623142242432, 286.891326904297, -10.6937379837036, 11.1029138565063, -21.7753372192383, 0.0298311393707991, 21.79665184021, 0.0, -3.98012471199036, 34.0113906860352, 110.277206420898, 338.180694580078, 0.401249706745148, 85.0033493041992, 21.92551612854, 15.9924840927124, 4.13241672515869
-InChI%3D1S%2FC7H12O%2Fc1-3-5-6-7%288%294-2%2Fh2%2C7-8H%2C3%2C5-6H2%2C1H3, 0.176909074187279, 14.917631149292, 0.278809010982513, 0.290944635868073, 0.82309091091156, 11.0650806427002, -0.220687240362167, 114.259971618652, 278.460693359375, -0.0516656190156937, 0.709055364131927, 164.200729370117, -86.6684417724609, 211.217926025391, 1.0, 44.8722496032715, 0.537832498550415, 297.886383056641, -20.2901573181152, 18.6394004821777, -34.0364875793457, 0.047462236136198, 38.929557800293, 1.0, -7.96836376190186, 69.4758453369141, 109.357269287109, 323.244812011719, 0.500778317451477, 82.9496459960938, 21.1235160827637, 13.118483543396, 7.32007741928101
-InChI%3D1S%2FC5H13N%2Fc1-4%282%295%283%296%2Fh4-5H%2C6H2%2C1-3H3, 0.0363307036459446, 7.582763671875, 0.222987800836563, 0.17795342206955, 0.963669300079346, 5.13026475906372, -0.0946210026741028, 60.3017578125, 278.560821533203, -0.019828712567687, 0.82204657793045, 218.259078979492, -32.0635185241699, 148.115753173828, 1.0, 20.434009552002, 0.437096804380417, 180.179275512695, -6.71920871734619, 10.8273792266846, -10.8651275634766, 0.0319521240890026, 17.5465888977051, 1.0, -2.2768886089325, 12.3111162185669, 94.3938446044922, 326.551483154297, 0.61592823266983, 50.1908874511719, 18.5683097839355, 13.5516910552979, 3.66899394989014
\ No newline at end of file
diff --git a/5x_cv/FHM_geometrical.csv b/5x_cv/FHM_geometrical.csv
deleted file mode 100644
index e70a9e0..0000000
--- a/5x_cv/FHM_geometrical.csv
+++ /dev/null
@@ -1 +0,0 @@
-SMILES,MOMI-Z,MOMI-YZ,MOMI-XY,MOMI-XZ,MOMI-R,GRAV-1,GRAV-2,LOBMAX,GRAVH-1,GRAV-3,GRAV-4,GRAVH-2,GRAV-5,GRAVH-3,MOMI-X,GRAV-6,LOBMIN,MOMI-Y
diff --git a/5x_cv/FHM_hybrid.csv b/5x_cv/FHM_hybrid.csv
deleted file mode 100644
index 14e418f..0000000
--- a/5x_cv/FHM_hybrid.csv
+++ /dev/null
@@ -1,526 +0,0 @@
-SMILES,WG.unity,Weta1.unity,Wlambda1.unity,Wgamma3.unity,BCUTp-1l,BCUTw-1l,WV.unity,Wgamma2.unity,Wnu1.unity,BCUTc-1l,Weta3.unity,Wnu2.unity,WA.unity,Weta2.unity,WD.unity,WK.unity,Wgamma1.unity,Wlambda2.unity,WT.unity,Wlambda3.unity,BCUTp-1h,BCUTc-1h,BCUTw-1h
-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, , , , , 3.84210753440857, 11.9989995956421, , , , -0.319447696208954, , , , , , , , , , , 9.00903129577637, 0.272101044654846, 16.0171489715576
-InChI%3D1S%2FC12H17NO%2Fc1-4-13%285-2%2912%2814%2911-8-6-7-10%283%299-11%2Fh6-9H%2C4-5H2%2C1-3H3, , , , , 5.37380027770996, 11.8500003814697, , , , -0.279696464538574, , , , , , , , , , , 9.48381042480469, 0.21060699224472, 15.9949178695679
-InChI%3D1S%2FC5H4ClNO%2Fc6-4-1-2-5%288%297-3-4%2Fh1-3H%2C%28H%2C7%2C8%29, , , , , 4.54968404769897, 11.9885931015015, , , , -0.369588971138, , , , , , , , , , , 8.0914421081543, 0.232519060373306, 34.9688529968262
-InChI%3D1S%2FC8H8Cl2%2Fc9-5-7-1-2-8%286-10%294-3-7%2Fh1-4H%2C5-6H2, , , , , 5.63445329666138, 11.8500003814697, , , , -0.173801779747009, , , , , , , , , , , 8.78440380096436, 0.140033736824989, 34.9698524475098
-InChI%3D1S%2FC9H11N%2Fc1-2-8-10-9-6-4-3-5-7-9%2Fh2-7%2C10H%2C1%2C8H2, , , , , 5.19676876068115, 11.8500003814697, , , , -0.305001050233841, , , , , , , , , , , 8.49568748474121, 0.16908086836338, 14.0030784606934
-InChI%3D1S%2FC7H8O%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5%2C8H%2C1H3, , , , , 4.67277765274048, 11.8500003814697, , , , -0.385702610015869, , , , , , , , , , , 7.596764087677, 0.1278225928545, 15.9949159622192
-InChI%3D1S%2FC10H22O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-10H2%2C1H3, , , , , 3.94320487976074, 11.9962491989136, , , , -0.421722233295441, , , , , , , , , , , 7.43572425842285, 0.0697342306375504, 15.9979438781738
-InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2, , , , , 3.59796929359436, 11.9989995956421, , , , -0.383152961730957, , , , , , , , , , , 7.85413932800293, 0.190449684858322, 16.0169315338135
-InChI%3D1S%2FC8H9NO%2Fc1-6%2810%297-3-2-4-8%289%295-7%2Fh2-5H%2C9H2%2C1H3, , , , , 4.50396490097046, 11.8900003433228, , , , -0.322994381189346, , , , , , , , , , , 8.56313133239746, 0.197236329317093, 15.9949169158936
-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, , , , , 4.69878816604614, 11.8900003433228, , , , -0.325675070285797, , , , , , , , , , , 11.6161298751831, 0.275518715381622, 31.9730739593506
-InChI%3D1S%2FC3HBr3N2%2Fc4-1-2%285%298-3%286%297-1%2Fh%28H%2C7%2C8%29, , , , , 7.06099319458008, 11.9886903762817, , , , -0.214975267648697, , , , , , , , , , , 10.4210071563721, 0.291849762201309, 78.9203338623047
-InChI%3D1S%2FC12H24O%2Fc1-3-4-5-6-7-8-9-10-11-12%282%2913%2Fh3-11H2%2C1-2H3, , , , , 4.11401700973511, 11.8900003433228, , , , -0.299521625041962, , , , , , , , , , , 7.54440546035767, 0.191138043999672, 15.9949178695679
-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, , , , , 5.05649995803833, 11.9989995956421, , , , -0.328851848840714, , , , , , , , , , , 8.71753120422363, 0.412816911935806, 31.9728298187256
-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, , , , , 5.73178386688232, 11.8900003433228, , , , -0.385532915592194, , , , , , , , , , , 12.8684463500977, 0.0808208733797073, 15.9949197769165
-InChI%3D1S%2FC8H16O2%2Fc1-3-4-5-6-7-10-8%282%299%2Fh3-7H2%2C1-2H3, , , , , 3.71192169189453, 11.8900003433228, , , , -0.315867036581039, , , , , , , , , , , 7.07242822647095, 0.301602005958557, 15.9959182739258
-InChI%3D1S%2FC4H8O%2Fc1-2-3-4-5%2Fh4H%2C2-3H2%2C1H3, , , , , 3.28822922706604, 11.988787651062, , , , -0.389461845159531, , , , , , , , , , , 5.90476608276367, 0.206313714385033, 16.0059242248535
-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, , , , , 6.29234600067139, 11.9962062835693, , , , -0.4056396484375, , , , , , , , , , , 11.8190536499023, 0.155717045068741, 34.9738578796387
-InChI%3D1S%2FC8H5F3O%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-5H, , , , , 3.50963687896729, 11.9974756240845, , , , -0.302205443382263, , , , , , , , , , , 7.93013715744019, 0.416481524705887, 19.0012531280518
-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%3F%3B%2Fm00.%2Fs1, , , , , 5.05649995803833, 11.9989995956421, , , , -0.373908698558807, , , , , , , , , , , 13.6672554016113, 0.412936419248581, 31.9728317260742
-InChI%3D1S%2FC12H8F2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H, , , , , 3.96604681015015, 11.8500003814697, , , , -0.360674828290939, , , , , , , , , , , 8.29913806915283, 0.213552504777908, 18.9994068145752
-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, , , , , 4.58201932907104, 11.9989995956421, , , , -0.323054611682892, , , , , , , , , , , 8.64119720458984, 0.283750891685486, 31.9728298187256
-InChI%3D1S%2FC12H10%2Fc1-3-9-4-2-6-11-8-7-10%285-1%2912%289%2911%2Fh1-6H%2C7-8H2, , , , , 7.32115602493286, 11.8500003814697, , , , -0.15711085498333, , , , , , , , , , , 9.96127414703369, 0.143166348338127, 12.1501417160034
-InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H, , , , , 5.67011642456055, 11.8500003814697, , , , -0.364155679941177, , , , , , , , , , , 7.88113403320312, 0.137078240513802, 15.9949169158936
-InChI%3D1S%2FC8H19N%2Fc1-2-3-4-5-6-7-8-9%2Fh2-9H2%2C1H3, , , , , 4.74782371520996, 11.9934787750244, , , , -0.363884657621384, , , , , , , , , , , 7.30672121047974, 0.0271397065371275, 14.0091009140015
-InChI%3D1S%2FC7H5NO4%2Fc9-4-5-3-6%2810%291-2-7%285%298%2811%2912%2Fh1-4%2C10H, , , , , 3.66212797164917, 11.9989995956421, , , , -0.385973542928696, , , , , , , , , , , 8.31901073455811, 0.175988346338272, 16.016996383667
-InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2, , , , , 5.40718269348145, 11.8500003814697, , , , -0.322724223136902, , , , , , , , , , , 7.37194013595581, 0.167243182659149, 14.003077507019
-InChI%3D1S%2FC7H10%2Fc1-2-7-4-3-6%281%295-7%2Fh1-2%2C6-7H%2C3-5H2, , , , , 7.01949977874756, 11.8999996185303, , , , -0.131820812821388, , , , , , , , , , , 8.06689453125, 0.0690847784280777, 12.1001043319702
-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, , , , , 2.72999739646912, 11.9944229125977, , , , -0.301382839679718, , , , , , , , , , , 8.95451068878174, 0.104217275977135, 34.9688529968262
-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, , , , , 5.59820222854614, 11.9886016845703, , , , -0.364678919315338, , , , , , , , , , , 11.0551624298096, 0.303265899419785, 78.9183349609375
-InChI%3D1S%2FC9H12O%2Fc1-6-4-5-7%282%299%2810%298%286%293%2Fh4-5%2C10H%2C1-3H3, , , , , 5.3759617805481, 11.9962692260742, , , , -0.408532023429871, , , , , , , , , , , 8.67926216125488, 0.131237715482712, 15.9979429244995
-InChI%3D1S%2FC7H9N%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5H%2C8H2%2C1H3, , , , , 5.48577499389648, 11.8500003814697, , , , -0.322727084159851, , , , , , , , , , , 7.6792311668396, 0.127334475517273, 14.003077507019
-InChI%3D1S%2FC6H4N2O5%2Fc9-6-3-4%287%2810%2911%291-2-5%286%298%2812%2913%2Fh1-3%2C9H, , , , , 3.55446863174438, 11.8500003814697, , , , -0.383063018321991, , , , , , , , , , , 7.71954393386841, 0.260539203882217, 15.998927116394
-InChI%3D1S%2FC11H16O%2Fc1-4-11%282%2C3%299-5-7-10%2812%298-6-9%2Fh5-8%2C12H%2C4H2%2C1-3H3, , , , , 4.81031608581543, 11.8500003814697, , , , -0.385714054107666, , , , , , , , , , , 10.1988496780396, 0.132743254303932, 15.9949178695679
-InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H, , , , , 6.56798601150513, 11.998706817627, , , , -0.173516392707825, , , , , , , , , , , 9.74158191680908, 0.23259262740612, 34.9720077514648
-InChI%3D1S%2FC6H4Cl3N%2Fc7-3-1-2-4%2810%296%289%295%283%298%2Fh1-2H%2C10H2, , , , , 6.26292991638184, 11.9985628128052, , , , -0.321123629808426, , , , , , , , , , , 10.4278841018677, 0.183968394994736, 34.9710578918457
-InChI%3D1S%2FC11H8O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6H%2C1H3, , , , , 5.09952116012573, 11.8500003814697, , , , -0.294491320848465, , , , , , , , , , , 9.66383743286133, 0.214884772896767, 15.9959201812744
-InChI%3D1S%2FC6H4N2O4%2Fc9-7%2810%295-1-2-6%284-3-5%298%2811%2912%2Fh1-4H, , , , , 3.50452566146851, 11.9989995956421, , , , -0.275414317846298, , , , , , , , , , , 7.48527383804321, 0.17549929022789, 16.0169982910156
-InChI%3D1S%2FC9H15NO6%2Fc1-4-14-7%2811%2910%288%2812%2915-5-2%299%2813%2916-6-3%2Fh4-6H2%2C1-3H3, , , , , 4.54246854782104, 11.8900003433228, , , , -0.303302735090256, , , , , , , , , , , 8.62694358825684, 0.359514653682709, 15.9999313354492
-InChI%3D1S%2FC10H15BrO%2Fc1-9%282%296-4-5-10%289%2C3%298%2812%297%286%2911%2Fh6-7H%2C4-5H2%2C1-3H3, , , , , 5.82449626922607, 11.8900003433228, , , , -0.296724736690521, , , , , , , , , , , 11.3380289077759, 0.159179925918579, 78.9183349609375
-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, , , , , 5.46634721755981, 11.9962062835693, , , , -0.408971220254898, , , , , , , , , , , 9.98530292510986, 0.128738805651665, 34.9698524475098
-InChI%3D1S%2FC9H20O%2Fc1-2-3-4-5-6-7-8-9-10%2Fh10H%2C2-9H2%2C1H3, , , , , 3.94073820114136, 11.9962692260742, , , , -0.421720802783966, , , , , , , , , , , 7.35707378387451, 0.0697207450866699, 15.9979429244995
-InChI%3D1S%2FC7H12O2%2Fc1-4-7%288%299-5-6%282%293%2Fh4%2C6H%2C1%2C5H2%2C2-3H3, , , , , 4.12049531936646, 11.8900003433228, , , , -0.312032699584961, , , , , , , , , , , 7.23842620849609, 0.285376250743866, 15.9959182739258
-InChI%3D1S%2FC10H16O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7H%2C4-6H2%2C1-3H3, , , , , 5.04624652862549, 11.8900003433228, , , , -0.298560321331024, , , , , , , , , , , 10.5597677230835, 0.139391303062439, 15.9949169158936
-InChI%3D1S%2FC7H5NO3%2Fc9-5-6-1-3-7%284-2-6%298%2810%2911%2Fh1-5H, , , , , 3.51416921615601, 11.9989995956421, , , , -0.302195161581039, , , , , , , , , , , 7.78776216506958, 0.175212413072586, 16.0169315338135
-InChI%3D1S%2FC7H6BrNO%2Fc8-6-3-1-2-5%284-6%297%289%2910%2Fh1-4H%2C%28H2%2C9%2C10%29, , , , , 5.03589868545532, 11.996319770813, , , , -0.371607571840286, , , , , , , , , , , 9.87275505065918, 0.163939967751503, 78.9183349609375
-InChI%3D1S%2FC12H8BrNO%2Fc13-11-5-3-9%284-6-11%2912%2815%2910-2-1-7-14-8-10%2Fh1-8H, , , , , 5.44077444076538, 11.8500003814697, , , , -0.297806769609451, , , , , , , , , , , 9.725754737854, 0.211620479822159, 78.9183349609375
-InChI%3D1S%2FC6H5ClO%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C8H, , , , , 5.08318376541138, 11.9985628128052, , , , -0.383502930402756, , , , , , , , , , , 8.43959712982178, 0.170323610305786, 34.9693794250488
-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, , , , , 4.91119718551636, 11.8900003433228, , , , -0.316117942333221, , , , , , , , , , , 9.60919380187988, 0.271375358104706, 15.9979305267334
-InChI%3D1S%2FC10H15N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh5-9H%2C3-4H2%2C1-2H3, , , , , 5.67410945892334, 11.8500003814697, , , , -0.294892579317093, , , , , , , , , , , 9.23462009429932, 0.17067414522171, 14.0030794143677
-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, , , , , 4.36060333251953, 11.8900003433228, , , , -0.313240438699722, , , , , , , , , , , 7.26684141159058, 0.287212371826172, 15.9979267120361
-InChI%3D1S%2FC5H4ClNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H, , , , , 4.9998083114624, 11.9985771179199, , , , -0.381513029336929, , , , , , , , , , , 8.1064624786377, 0.241984143853188, 34.9693794250488
-InChI%3D1S%2FC13H29N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14%2Fh2-14H2%2C1H3, , , , , 4.75739336013794, 11.9933710098267, , , , -0.363891303539276, , , , , , , , , , , 7.58093690872192, 0.0272629335522652, 14.0091028213501
-InChI%3D1S%2FC8H10N2O3%2Fc1-2-13-6-3-4-7%289%298%285-6%2910%2811%2912%2Fh3-5H%2C2%2C9H2%2C1H3, , , , , 3.69651508331299, 11.9989995956421, , , , -0.370866566896439, , , , , , , , , , , 8.24479961395264, 0.179482787847519, 16.0169334411621
-InChI%3D1S%2FC12H27N%2Fc1-3-5-7-9-11-13-12-10-8-6-4-2%2Fh13H%2C3-12H2%2C1-2H3, , , , , 5.11146926879883, 11.8900003433228, , , , -0.316010445356369, , , , , , , , , , , 7.39258098602295, 0.0497731901705265, 14.003080368042
-InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-4H, , , , , 3.51154851913452, 11.9974756240845, , , , -0.261964380741119, , , , , , , , , , , 7.96063661575317, 0.416505128145218, 19.0012531280518
-InChI%3D1S%2FC3H6O2%2Fc1-3%284%295-2%2Fh1-2H3, , , , , 3.40737152099609, 11.8900003433228, , , , -0.319190263748169, , , , , , , , , , , 5.0014762878418, 0.301348567008972, 15.9959163665771
-InChI%3D1S%2FC6H10%2Fc1-5%282%296%283%294%2Fh1%2C3H2%2C2%2C4H3, , , , , 5.8886251449585, 11.8900003433228, , , , -0.157858908176422, , , , , , , , , , , 7.87297344207764, 0.0627245530486107, 12.1100749969482
-InChI%3D1S%2FC7H3I2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H, , , , , 4.83066987991333, 11.8500003814697, , , , -0.383649498224258, , , , , , , , , , , 13.5926303863525, 0.20702463388443, 126.905471801758
-InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3, , , , , 5.4196195602417, 11.9986352920532, , , , -0.210488349199295, , , , , , , , , , , 8.06619071960449, 0.118471778929234, 34.9701538085938
-InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H, , 0.125, 0.0989999994635582, , 6.09337520599365, 11.8500003814697, 15.723600387573242, , 0.016100000590085983, -0.180664867162704, 0.5511000156402588, 0.32499998807907104, 8.748600006103516, 0.38690000772476196, 1.062999963760376, 0.24420000612735748, , 2.0044000148773193, 6.168300151824951, 4.064899921417236, 6.39342927932739, 0.119389533996582, 12.1500539779663
-InChI%3D1S%2FC8H14O%2Fc1-3-5-6-7-8%289%294-2%2Fh2%2C8-9H%2C3%2C5-7H2%2C1H3, , , , , 4.42643976211548, 11.6899995803833, , , , -0.406575083732605, , , , , , , , , , , 7.27672100067139, 0.214925944805145, 15.9949169158936
-InChI%3D1S%2FC7H14O%2Fc1-4-6%282%297%283%295-8%2Fh5-7H%2C4H2%2C1-3H3, , , , , 3.8460476398468, 11.9886627197266, , , , -0.388755083084106, , , , , , , , , , , 8.34525680541992, 0.209007367491722, 16.0059242248535
-InChI%3D1S%2FC9H10O4%2Fc1-12-6-3-8%2811%297%285-10%299%284-6%2913-2%2Fh3-5%2C11H%2C1-2H3, , , , , 4.00575494766235, 11.9886016845703, , , , -0.386948317289352, , , , , , , , , , , 8.57217121124268, 0.217991590499878, 16.0062808990479
-InChI%3D1S%2FC7H7ClO%2Fc1-5-4-6%289%292-3-7%285%298%2Fh2-4%2C9H%2C1H3, , , , , 4.87362146377563, 11.8500003814697, , , , -0.385693669319153, , , , , , , , , , , 8.88694477081299, 0.211154118180275, 34.9688529968262
-InChI%3D1S%2FC2HCl5%2Fc3-1%284%292%285%2C6%297%2Fh1H, , , , , 7.06024980545044, 11.998706817627, , , , -0.139938309788704, , , , , , , , , , , 11.6964206695557, 0.334519654512405, 34.9729766845703
-InChI%3D1S%2FC12H10O3%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8%2C13-14H, , , , , 4.72214365005493, 11.8500003814697, , , , -0.386683195829391, , , , , , , , , , , 8.38815784454346, 0.213395863771439, 15.9969234466553
-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, , , , , 5.16706943511963, 11.8500003814697, , , , -0.17175480723381, , , , , , , , , , , 8.69798755645752, 0.128573581576347, 12.1501264572144
-InChI%3D1S%2FC7H7NO2%2Fc8-7%2810%295-3-1-2-4-6%285%299%2Fh1-4%2C9H%2C%28H2%2C8%2C10%29, , , , , 4.90514421463013, 11.996319770813, , , , -0.408113777637482, , , , , , , , , , , 8.54413032531738, 0.143240392208099, 15.9982604980469
-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, , , , , 6.70983123779297, 11.8500003814697, , , , -0.259032756090164, , , , , , , , , , , 10.7335033416748, 0.135075509548187, 31.9720726013184
-InChI%3D1S%2FC8H19N%2Fc1-3-4-5-6-7-8%282%299%2Fh8H%2C3-7%2C9H2%2C1-2H3, , , , , 5.12437438964844, 11.9934787750244, , , , -0.361126929521561, , , , , , , , , , , 7.4797248840332, 0.0350184552371502, 14.0091009140015
-InChI%3D1S%2FC6H11BrO%2Fc7-5-6-3-1-2-4-8-6%2Fh6H%2C1-5H2, , , , , 6.47020959854126, 11.9968357086182, , , , -0.397283554077148, , , , , , , , , , , 8.58635234832764, 0.0947628319263458, 78.9183349609375
-InChI%3D1S%2FC2H3F3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2, , , , , 2.58600783348083, 11.9978256225586, , , , -0.386568427085876, , , , , , , , , , , 4.2035059928894, 0.431900769472122, 19.0012512207031
-InChI%3D1S%2FC11H16O%2Fc1-11%282%2C12%299-8-10-6-4-3-5-7-10%2Fh3-7%2C12H%2C8-9H2%2C1-2H3, , , , , 5.29064178466797, 11.8500003814697, , , , -0.389836490154266, , , , , , , , , , , 8.83445072174072, 0.128187924623489, 15.9949178695679
-InChI%3D1S%2FC6H5ClO2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3%2C8-9H, , , , , 4.83405113220215, 11.8500003814697, , , , -0.383770257234573, , , , , , , , , , , 8.40296936035156, 0.22214974462986, 34.9688529968262
-InChI%3D1S%2FC6H10%2Fc1-3-5-6-4-2%2Fh3-6H%2C1-2H3, , , , , 5.24821901321411, 11.8900003433228, , , , -0.178678497672081, , , , , , , , , , , 6.9001350402832, 0.0451093055307865, 12.1100749969482
-InChI%3D1S%2FC3H6O%2Fc1-2-3-4%2Fh2%2C4H%2C1%2C3H2, , , , , 3.72299790382385, 11.789999961853, , , , -0.391683727502823, , , , , , , , , , , 5.44878435134888, 0.127269402146339, 15.9949150085449
-InChI%3D1S%2FC8H19NO%2Fc1-7%282%299%285-6-10%298%283%294%2Fh7-8%2C10H%2C5-6H2%2C1-4H3, , , , , 4.22549629211426, 11.8900003433228, , , , -0.394438356161118, , , , , , , , , , , 9.28487968444824, 0.0909329056739807, 15.9949169158936
-InChI%3D1S%2FC10H14O%2Fc1-2-3-9-11-10-7-5-4-6-8-10%2Fh4-8H%2C2-3%2C9H2%2C1H3, , , , , 5.0686936378479, 11.8500003814697, , , , -0.370655387639999, , , , , , , , , , , 7.91922616958618, 0.211670652031898, 15.9949169158936
-InChI%3D1S%2FC8H7BrO3%2Fc1-12-7-3-5%284-10%292-6%289%298%287%2911%2Fh2-4%2C11H%2C1H3, , , , , 4.07305860519409, 11.9962921142578, , , , -0.402934849262238, , , , , , , , , , , 10.2180671691895, 0.175503149628639, 78.9183349609375
-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, , , , , 3.9469096660614, 11.8500003814697, , , , -0.385158479213715, , , , , , , , , , , 9.53162002563477, 0.185581594705582, 15.9959211349487
-InChI%3D1S%2FC9H11NO%2Fc1-2-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3, , , , , 4.7842755317688, 11.8500003814697, , , , -0.323016077280045, , , , , , , , , , , 8.76237010955811, 0.169135689735413, 15.9949178695679
-InChI%3D1S%2FC8H11NO%2Fc10-6-2-4-8-3-1-5-9-7-8%2Fh1%2C3%2C5%2C7%2C10H%2C2%2C4%2C6H2, , , , , 4.02272319793701, 11.8500003814697, , , , -0.395729869604111, , , , , , , , , , , 8.35319709777832, 0.176754340529442, 15.9949169158936
-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, , , , , 4.80378913879395, 11.8900003433228, , , , -0.316274166107178, , , , , , , , , , , 9.69822788238525, 0.275619864463806, 15.9979286193848
-InChI%3D1S%2FC8H16O2%2Fc1-3-5-6-7-8%289%2910-4-2%2Fh3-7H2%2C1-2H3, , , , , 4.15400981903076, 11.8900003433228, , , , -0.31593582034111, , , , , , , , , , , 7.13281869888306, 0.261476516723633, 15.9959182739258
-InChI%3D1S%2FC8H10O2%2Fc1-9-7-3-5-8%2810-2%296-4-7%2Fh3-6H%2C1-2H3, , , , , 4.69394540786743, 11.8500003814697, , , , -0.374850928783417, , , , , , , , , , , 7.52888250350952, 0.212457671761513, 15.9959182739258
-InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh1%2C4H%2C3H2, , , , , 3.50962138175964, 11.6899995803833, , , , -0.408277273178101, , , , , , , , , , , 4.74326276779175, 0.2129837423563, 15.9949150085449
-InChI%3D1S%2FC11H15NO%2Fc1-3-12%284-2%2911-7-5-10%289-13%296-8-11%2Fh5-9H%2C3-4H2%2C1-2H3, , , , , 3.88809776306152, 11.8900003433228, , , , -0.302334070205688, , , , , , , , , , , 9.39545059204102, 0.127547413110733, 15.9949178695679
-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, , , , , 4.90774440765381, 11.8900003433228, , , , -0.331164628267288, , , , , , , , , , , 12.8363523483276, 0.265190690755844, 15.995924949646
-InChI%3D1S%2FC14H11N%2Fc1-2-15-13-9-5-3-7-11%2813%2912-8-4-6-10-14%2812%2915%2Fh2-10H%2C1H2, , , , , 5.97571229934692, 11.8500003814697, , , , -0.26370108127594, , , , , , , , , , , 10.4251890182495, 0.185546532273293, 14.0030813217163
-InChI%3D1S%2FC9H9Cl%2Fc1-2-8-4-3-5-9%286-8%297-10%2Fh2-6H%2C1%2C7H2, , , , , 5.61879587173462, 11.8500003814697, , , , -0.172860696911812, , , , , , , , , , , 9.02783966064453, 0.143553793430328, 34.9688529968262
-InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2, , , , , 4.95766448974609, 11.9994735717773, , , , -0.18513411283493, , , , , , , , , , , 6.53172636032104, 0.185354650020599, 34.9701538085938
-InChI%3D1S%2FC11H9N%2Fc1-2-4-10%285-3-1%2911-6-8-12-9-7-11%2Fh1-9H, , , , , 6.11088800430298, 11.8500003814697, , , , -0.230560034513474, , , , , , , , , , , 9.3579216003418, 0.141639247536659, 14.0030794143677
-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, , , , , 4.65603303909302, 11.8900003433228, , , , -0.325774312019348, , , , , , , , , , , 9.64867496490479, 0.278718113899231, 15.995922088623
-InChI%3D1S%2FC10H10N2O2S%2Fc1-9-2-4-10%285-3-9%2915%2813%2C14%2912-7-6-11-8-12%2Fh2-8H%2C1H3, , , , , 6.08380889892578, 11.9884376525879, , , , -0.246465340256691, , , , , , , , , , , 11.4507570266724, 0.224268019199371, 31.9720726013184
-InChI%3D1S%2FC8H6ClNO4%2Fc1-14-8%2811%296-3-2-5%289%294-7%286%2910%2812%2913%2Fh2-4H%2C1H3, , , , , 3.8413462638855, 11.9989995956421, , , , -0.318470239639282, , , , , , , , , , , 9.00751495361328, 0.271687477827072, 34.9688529968262
-InChI%3D1S%2FC7H5ClN2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-3H%2C10H2, , , , , 4.39909029006958, 11.9935121536255, , , , -0.351154357194901, , , , , , , , , , , 8.71443462371826, 0.126365467905998, 34.9688529968262
-InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2, , , , , 5.09803342819214, 11.998706817627, , , , -0.214484810829163, , , , , , , , , , , 6.81075191497803, 0.110870480537415, 34.9701538085938
-InChI%3D1S%2FC7H4ClFO%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-4H, , , , , 4.02821350097656, 11.9985513687134, , , , -0.302001923322678, , , , , , , , , , , 8.88443470001221, 0.165111243724823, 34.9693794250488
-InChI%3D1S%2FC10H18O4%2Fc1-3-13-9%2811%297-5-6-8-10%2812%2914-4-2%2Fh3-8H2%2C1-2H3, , , , , 4.18013477325439, 11.8900003433228, , , , -0.31689265370369, , , , , , , , , , , 7.35077524185181, 0.262533932924271, 15.9979248046875
-InChI%3D1S%2FC9H7NO2%2Fc1-12-9%2811%298-4-2-7%286-10%293-5-8%2Fh2-5H%2C1H3, , , , , 4.20208740234375, 11.9962692260742, , , , -0.349357426166534, , , , , , , , , , , 8.39113426208496, 0.268857687711716, 15.9982604980469
-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, , , , , 4.92425632476807, 11.8500003814697, , , , -0.384804934263229, , , , , , , , , , , 9.05768203735352, 0.272897034883499, 15.9969263076782
-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, , , , , 4.81318712234497, 11.8900003433228, , , , -0.368145644664764, , , , , , , , , , , 11.3913192749023, 0.226002112030983, 34.9688529968262
-InChI%3D1S%2FC3H7Br%2Fc1-2-3-4%2Fh2-3H2%2C1H3, , , , , 5.27649784088135, 11.9988794326782, , , , -0.196245178580284, , , , , , , , , , , 7.61915254592896, 0.0851667299866676, 78.9185180664062
-InChI%3D1S%2FC13H10O%2Fc14-13%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H, , , , , 5.38518095016479, 11.8500003814697, , , , -0.297849148511887, , , , , , , , , , , 9.25492858886719, 0.168914437294006, 15.9949178695679
-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, , , , , 3.87191462516785, 11.8500003814697, , , , -0.306848585605621, , , , , , , , , , , 8.34390544891357, 0.317232221364975, 30.973762512207
-InChI%3D1S%2FC9H12O%2Fc1-2-3-8-4-6-9%2810%297-5-8%2Fh4-7%2C10H%2C2-3H2%2C1H3, , , , , 4.73172187805176, 11.8500003814697, , , , -0.385708421468735, , , , , , , , , , , 8.52399253845215, 0.129552438855171, 15.9949169158936
-InChI%3D1S%2FC7H5ClO%2Fc8-7-3-1-6%285-9%292-4-7%2Fh1-5H, , , , , 3.85621619224548, 11.8500003814697, , , , -0.302188664674759, , , , , , , , , , , 8.37519645690918, 0.167193859815598, 34.9688529968262
-InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3, , , , , 4.65437078475952, 11.8900003433228, , , , -0.378271877765656, , , , , , , , , , , 7.49042320251465, 0.13202939927578, 15.9949159622192
-InChI%3D1S%2FC6H7ClN.HI%2Fc1-8-5-3-2-4-6%288%297%3B%2Fh2-5H%2C1H3%3B1H%2Fq%2B1%3B%2Fp-1, , , , , 5.78997755050659, 11.9935512542725, , , , -0.365228414535522, , , , , , , , , , , 8.34213638305664, 0.151382058858871, 126.904472351074
-InChI%3D1S%2FC7H5NO3%2Fc9-5-6-3-1-2-4-7%286%298%2810%2911%2Fh1-5H, , , , , 3.64729332923889, 11.9989995956421, , , , -0.302103966474533, , , , , , , , , , , 8.20138645172119, 0.175942078232765, 16.0169315338135
-InChI%3D1S%2FC10H18O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-7%2C10H2%2C1H3, , , , , 3.81358575820923, 11.9962491989136, , , , -0.406791627407074, , , , , , , , , , , 7.35646438598633, 0.128023475408554, 15.9979438781738
-InChI%3D1S%2FC7H4ClNO3%2Fc8-7-2-1-6%289%2811%2912%293-5%287%294-10%2Fh1-4H, , , , , 3.62026858329773, 11.9989995956421, , , , -0.302118569612503, , , , , , , , , , , 9.04051208496094, 0.175281956791878, 34.9688529968262
-InChI%3D1S%2FC10H17N%2Fc11-10-4-7-1-8%285-10%293-9%282-7%296-10%2Fh7-9H%2C1-6%2C11H2, , , , , 6.59174537658691, 11.8999996185303, , , , -0.324848204851151, , , , , , , , , , , 9.87640571594238, 0.0953658372163773, 14.0030794143677
-InChI%3D1S%2FC4H11N%2Fc1-2-3-4-5%2Fh2-5H2%2C1H3, , , , , 4.59952354431152, 11.9936571121216, , , , -0.363880038261414, , , , , , , , , , , 6.30075788497925, 0.0270443968474865, 14.0090980529785
-InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2, , , , , 5.52943229675293, 11.8500003814697, , , , -0.32289120554924, , , , , , , , , , , 8.33563137054443, 0.167908579111099, 34.9688529968262
-InChI%3D1S%2FC8H18S2%2Fc1-3-5-9-7-8-10-6-4-2%2Fh3-8H2%2C1-2H3, , , , , 5.6069598197937, 11.8900003433228, , , , -0.166103914380074, , , , , , , , , , , 10.0307292938232, 0.054816473275423, 31.973072052002
-InChI%3D1S%2FC7H9N%2Fc1-2-7-5-3-4-6-8-7%2Fh3-6H%2C2H2%2C1H3, , , , , 5.36421346664429, 11.9885196685791, , , , -0.291112273931503, , , , , , , , , , , 7.81559324264526, 0.123809173703194, 14.0142478942871
-InChI%3D1S%2FC7H6N2O3%2Fc8-7%2810%295-1-3-6%284-2-5%299%2811%2912%2Fh1-4H%2C%28H2%2C8%2C10%29, , , , , 3.53175282478333, 11.9989995956421, , , , -0.28025895357132, , , , , , , , , , , 8.34475803375244, 0.205294340848923, 16.0169315338135
-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, , , , , 5.45541620254517, 11.8500003814697, , , , -0.392200827598572, , , , , , , , , , , 9.94519519805908, 0.13123232126236, 15.9949178695679
-InChI%3D1S%2FC4H3BrS%2Fc5-4-1-2-6-3-4%2Fh1-3H, , , , , 7.35437154769897, 11.8500003814697, , , , -0.149917960166931, , , , , , , , , , , 9.99307823181152, 0.2048669308424, 78.9183349609375
-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, , , , , 6.66536998748779, 11.8500003814697, , , , -0.221645921468735, , , , , , , , , , , 9.8561429977417, 0.141946867108345, 14.0030822753906
-InChI%3D1S%2FC10H20O%2Fc1-3-4-5-6-7-8-9-10%282%2911%2Fh3-9H2%2C1-2H3, , , , , 4.11033344268799, 11.8900003433228, , , , -0.299514085054398, , , , , , , , , , , 7.4465503692627, 0.19112166762352, 15.9949169158936
-InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3, , , , , 2.80404543876648, 11.9889106750488, , , , -0.390170723199844, , , , , , , , , , , 4.01851272583008, 0.203633710741997, 16.0059242248535
-InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%288%296%2811%295%2810%294%282%299%2Fh1%2C11H, , , , , 5.93893146514893, 11.9985628128052, , , , -0.381213486194611, , , , , , , , , , , 10.5175161361694, 0.197612956166267, 34.9720077514648
-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, , , , , 4.6828875541687, 11.8500003814697, , , , -0.325804263353348, , , , , , , , , , , 9.42718982696533, 0.278741538524628, 15.995922088623
-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, , , , , 4.06132793426514, 11.996319770813, , , , -0.349151194095612, , , , , , , , , , , 7.97807693481445, 0.302897483110428, 15.9992866516113
-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, , , , , 4.93011665344238, 11.8900003433228, , , , -0.352269172668457, , , , , , , , , , , 8.69463920593262, 0.171281397342682, 15.9979295730591
-InChI%3D1S%2FC8H6BrNO5%2Fc1-15-8-6%2810%2813%2914%294%283-11%292-5%289%297%288%2912%2Fh2-3%2C12H%2C1H3, , , , , 3.91351795196533, 11.9989995956421, , , , -0.381172746419907, , , , , , , , , , , 10.3559436798096, 0.203045427799225, 78.9183349609375
-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, , , , , 4.99172258377075, 11.8900003433228, , , , -0.309662222862244, , , , , , , , , , , 9.67841529846191, 0.294980257749557, 31.9720726013184
-InChI%3D1S%2FC6H10O%2Fc7-6-4-2-1-3-5-6%2Fh1-5H2, , , , , 4.1998724937439, 11.8999996185303, , , , -0.299189954996109, , , , , , , , , , , 6.76345872879028, 0.187722161412239, 15.9949159622192
-InChI%3D1S%2FC10H11BrO3%2Fc1-13-7-3-4-10%2814-2%298%285-7%299%2812%296-11%2Fh3-5H%2C6H2%2C1-2H3, , , , , 4.87152767181396, 11.9988403320312, , , , -0.374881863594055, , , , , , , , , , , 9.89331912994385, 0.160143703222275, 78.9185180664062
-InChI%3D1S%2FC7H7NO%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H%2C%28H2%2C8%2C9%29, , , , , 4.84633588790894, 11.8500003814697, , , , -0.347981721162796, , , , , , , , , , , 8.33022594451904, 0.172199204564095, 15.9949169158936
-InChI%3D1S%2FC12H22O4%2Fc1-3-5-9-15-11%2813%297-8-12%2814%2916-10-6-4-2%2Fh3-10H2%2C1-2H3, , , , , 4.27622842788696, 11.8900003433228, , , , -0.316598922014236, , , , , , , , , , , 7.23533821105957, 0.263066321611404, 15.9979267120361
-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, , , , , 4.78816223144531, 11.9961776733398, , , , -0.37256532907486, , , , , , , , , , , 9.12443447113037, 0.156706288456917, 15.9982633590698
-InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh1%2C5H%2C3-4H2, , , , , 3.73130869865417, 11.6899995803833, , , , -0.421804547309875, , , , , , , , , , , 5.73300552368164, 0.198424488306046, 15.9949159622192
-InChI%3D1S%2FC5H12O%2Fc1-2-3-4-5-6%2Fh6H%2C2-5H2%2C1H3, , , , , 3.86671495437622, 11.9964008331299, , , , -0.4217149913311, , , , , , , , , , , 6.50213479995728, 0.0696688741445541, 15.9979419708252
-InChI%3D1S%2FC6H6FN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2, , , , , 3.90730977058411, 11.8500003814697, , , , -0.322895407676697, , , , , , , , , , , 7.35987186431885, 0.168441131711006, 18.9984035491943
-InChI%3D1S%2FC6H13NO%2Fc1-5-3-7-4-6%282%298-5%2Fh5-7H%2C3-4H2%2C1-2H3, , , , , 5.56118726730347, 11.9968357086182, , , , -0.393833637237549, , , , , , , , , , , 7.26980113983154, 0.0898892357945442, 15.9974184036255
-InChI%3D1S%2FC8H14O%2Fc1-7%282%295-4-6-8%283%299%2Fh5H%2C4%2C6H2%2C1-3H3, , , , , 4.13709020614624, 11.8900003433228, , , , -0.299493551254272, , , , , , , , , , , 7.63408422470093, 0.129939824342728, 15.9949169158936
-InChI%3D1S%2F4C2H5.Sn.2H%2Fc4%2A1-2%3B%3B%3B%2Fh4%2A1H2%2C2H3%3B%3B%3B, , , , , 1.54799664020538, 11.8900003433228, , , , -0.178262382745743, , , , , , , , , , , 3.97961497306824, 12.2837715148926, 119.902191162109
-InChI%3D1S%2FC6H10O3%2Fc1-5%282%296%288%299-4-3-7%2Fh7H%2C1%2C3-4H2%2C2H3, , , , , 3.77953267097473, 11.9963550567627, , , , -0.418272167444229, , , , , , , , , , , 7.32522439956665, 0.288387686014175, 15.9987020492554
-InChI%3D1S%2FC6H10O%2Fc1-3-5-6%287%294-2%2Fh3-4%2C6-7H%2C1-2%2C5H2, , , , , 4.86549234390259, 11.789999961853, , , , -0.388132452964783, , , , , , , , , , , 7.42250776290894, 0.129263490438461, 15.9949159622192
-InChI%3D1S%2FC8H18S2%2Fc1-3-9-7-5-6-8-10-4-2%2Fh3-8H2%2C1-2H3, , , , , 6.0181565284729, 11.8900003433228, , , , -0.162665963172913, , , , , , , , , , , 9.25697040557861, 0.0798167958855629, 31.973072052002
-InChI%3D1S%2FC7HF5O%2Fc8-3-2%281-13%294%289%296%2811%297%2812%295%283%2910%2Fh1H, , , , , 3.75809764862061, 11.9974966049194, , , , -0.302000671625137, , , , , , , , , , , 7.50200748443604, 0.234652385115623, 19.0029010772705
-InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H, , , , , 5.93843698501587, 11.9994735717773, , , , -0.14991594851017, , , , , , , , , , , 8.48476219177246, 0.286561369895935, 34.9710578918457
-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, , , , , 4.89612483978271, 11.8500003814697, , , , -0.33116340637207, , , , , , , , , , , 12.6504459381104, 0.265197455883026, 15.995924949646
-InChI%3D1S%2FC5H10Cl2%2Fc6-4-2-1-3-5-7%2Fh1-5H2, , , , , 5.22077751159668, 11.9985771179199, , , , -0.218649610877037, , , , , , , , , , , 7.3625373840332, 0.094338059425354, 34.9701538085938
-InChI%3D1S%2FC6H12O%2Fc1-3-4-5-6%282%297%2Fh3-5H2%2C1-2H3, , , , , 4.0366530418396, 11.8900003433228, , , , -0.299498647451401, , , , , , , , , , , 6.85989236831665, 0.191089615225792, 15.9949159622192
-InChI%3D1S%2FC9H13N%2Fc1-8-4-6-9%287-5-8%2910%282%293%2Fh4-7H%2C1-3H3, , , , , 5.91484212875366, 11.9934511184692, , , , -0.337607532739639, , , , , , , , , , , 8.74806976318359, 0.0472214445471764, 14.0091009140015
-InChI%3D1S%2FC5Cl5N%2Fc6-1-2%287%294%289%2911-5%2810%293%281%298, , , , , 6.81868743896484, 11.9985771179199, , , , -0.190083131194115, , , , , , , , , , , 11.050009727478, 0.210910886526108, 34.9729766845703
-InChI%3D1S%2FC12H19N%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9H%2C13H2%2C1-4H3, , , , , 6.36878108978271, 11.99338722229, , , , -0.352364808320999, , , , , , , , , , , 9.93316173553467, 0.0796653926372528, 14.0091028213501
-InChI%3D1S%2FC7H4Cl4%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3%2C7H, , , , , 6.93021154403687, 11.9985513687134, , , , -0.201161757111549, , , , , , , , , , , 11.4128799438477, 0.170415669679642, 34.9720077514648
-InChI%3D1S%2FC5H6ClN3%2Fc1-3-2-4%286%299-5%287%298-3%2Fh2H%2C1H3%2C%28H2%2C7%2C8%2C9%29, , , , , 5.45105743408203, 11.9945917129517, , , , -0.278943091630936, , , , , , , , , , , 8.9102783203125, 0.147148042917252, 34.9688529968262
-InChI%3D1S%2FC8H8N2O%2Fc1-5-3-6%282%2910-8%2811%297%285%294-9%2Fh3H%2C1-2H3%2C%28H%2C10%2C11%29, , , , , 4.35419845581055, 11.9962921142578, , , , -0.389249563217163, , , , , , , , , , , 8.56803703308105, 0.220501258969307, 15.9979438781738
-InChI%3D1S%2FC7H6Cl2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4H%2C1H3, , , , , 6.13492918014526, 11.8500003814697, , , , -0.161733090877533, , , , , , , , , , , 9.49176025390625, 0.141915291547775, 34.9698524475098
-InChI%3D1S%2FC6H3Br3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, , , , , 6.3452467918396, 11.8500003814697, , , , -0.382047355175018, , , , , , , , , , , 11.1491479873657, 0.205074161291122, 78.9203338623047
-InChI%3D1S%2FC2H3Cl3%2Fc1-2%283%2C4%295%2Fh1H3, , , , , 6.56807088851929, 11.998706817627, , , , -0.146236628293991, , , , , , , , , , , 9.74131965637207, 0.29441624879837, 34.9710578918457
-InChI%3D1S%2FC6H6ClN%2Fc1-5-3-2-4-6%287%298-5%2Fh2-4H%2C1H3, , , , , 5.84590101242065, 11.9885540008545, , , , -0.268892675638199, , , , , , , , , , , 8.18025779724121, 0.179612562060356, 34.9688529968262
-InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296, , , , , 6.75458335876465, 11.998706817627, , , , -0.140288695693016, , , , , , , , , , , 9.79723739624023, 0.246189966797829, 34.9720077514648
-InChI%3D1S%2FC6H14O%2Fc1-4-6%283%2C7%295-2%2Fh7H%2C4-5H2%2C1-3H3, , , , , 5.21048736572266, 11.8900003433228, , , , -0.389563649892807, , , , , , , , , , , 8.11250305175781, 0.0669812858104706, 15.9949159622192
-InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H, , , , , 6.8662257194519, 11.8500003814697, , , , -0.178616106510162, , , , , , , , , , , 8.86676025390625, 0.121521204710007, 12.1501121520996
-InChI%3D1S%2FC7H3Cl2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H, , , , , 4.39979314804077, 11.8500003814697, , , , -0.381498366594315, , , , , , , , , , , 9.28389167785645, 0.212777361273766, 34.9698524475098
-InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H, , , , , 3.79509139060974, 11.8500003814697, , , , -0.302183598279953, , , , , , , , , , , 7.68053960800171, 0.166244730353355, 15.9949159622192
-InChI%3D1S%2FC6H5Cl2N%2Fc7-5-2-1-4%289%293-6%285%298%2Fh1-3H%2C9H2, , , , , 5.77393245697021, 11.8500003814697, , , , -0.322837173938751, , , , , , , , , , , 9.44988632202148, 0.180318832397461, 34.9698524475098
-InChI%3D1S%2FC4H5N%2Fc1-2-3-4-5%2Fh2H%2C1%2C3H2, , , , , 3.63657259941101, 11.9530773162842, , , , -0.435488194227219, , , , , , , , , , , 6.10400676727295, 0.292533338069916, 14.049955368042
-InChI%3D1S%2FC5H10O%2Fc1-3-5%282%294-6%2Fh4-5H%2C3H2%2C1-2H3, , , , , 3.60753273963928, 11.9887399673462, , , , -0.388802200555801, , , , , , , , , , , 7.16225337982178, 0.208758264780045, 16.0059242248535
-InChI%3D1S%2F4C4H9.Sn.2H%2Fc4%2A1-3-4-2%3B%3B%3B%2Fh4%2A1%2C3-4H2%2C2H3%3B%3B%3B, , , , , 1.54799568653107, 11.8900003433228, , , , -0.17100465297699, , , , , , , , , , , 5.7695460319519, 12.2837724685669, 119.902191162109
-InChI%3D1S%2FC7H12O4%2Fc1-3-10-6%288%295-7%289%2911-4-2%2Fh3-5H2%2C1-2H3, , , , , 4.09489059448242, 11.8900003433228, , , , -0.316491395235062, , , , , , , , , , , 6.86263465881348, 0.272400766611099, 15.9979219436646
-InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3%2B, , , , , 3.95588779449463, 11.8900003433228, , , , -0.395409107208252, , , , , , , , , , , 6.84802627563477, 0.0610548108816147, 15.9949159622192
-InChI%3D1S%2FC8H8O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-6H%2C1H3, , , , , 4.43584012985229, 11.8500003814697, , , , -0.298823088407516, , , , , , , , , , , 8.31215858459473, 0.168211653828621, 15.9949169158936
-InChI%3D1S%2FC6H2F5N%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H2, , , , , 3.83902478218079, 11.9975233078003, , , , -0.317696303129196, , , , , , , , , , , 7.18550872802734, 0.255333453416824, 19.0029010772705
-InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H, , , , , 4.59418439865112, 11.8500003814697, , , , -0.385700523853302, , , , , , , , , , , 6.78688812255859, 0.209084287285805, 15.9949159622192
-InChI%3D1S%2FC9H10O2%2Fc1-2-11-9-5-3-8%287-10%294-6-9%2Fh3-7H%2C2H2%2C1H3, , , , , 3.83926558494568, 11.8500003814697, , , , -0.371310412883759, , , , , , , , , , , 7.87230014801025, 0.211786687374115, 15.9959192276001
-InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-1-2-5%287%2810%2911%296%289%293-4%2Fh1-3H%2C%28H2%2C10%2C11%29, , , , , 5.1519603729248, 11.8500003814697, , , , -0.347936511039734, , , , , , , , , , , 9.72113609313965, 0.218934029340744, 34.9698524475098
-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, , , , , 5.05649995803833, 11.9989995956421, , , , -0.302646368741989, , , , , , , , , , , 9.72507095336914, 0.412793606519699, 31.9728298187256
-InChI%3D1S%2FC6H5NO3%2Fc8-6-3-1-5%282-4-6%297%289%2910%2Fh1-4%2C8H, , , , , 3.48461866378784, 11.9989995956421, , , , -0.385705500841141, , , , , , , , , , , 7.405198097229, 0.175368368625641, 16.0169315338135
-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, , , , , 4.30170965194702, 11.8900003433228, , , , -0.316609382629395, , , , , , , , , , , 7.43921947479248, 0.262564897537231, 15.9979286193848
-InChI%3D1S%2FC9H10O%2Fc1-2-5-8-6-3-4-7-9%288%2910%2Fh2-4%2C6-7%2C10H%2C1%2C5H2, , , , , 5.16094017028809, 11.9962692260742, , , , -0.408924907445908, , , , , , , , , , , 8.76363086700439, 0.128613293170929, 15.9979429244995
-InChI%3D1S%2FC7H5BrO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H, , , , , 4.04846572875977, 11.996319770813, , , , -0.408442109823227, , , , , , , , , , , 9.76681709289551, 0.135596513748169, 78.9183349609375
-InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3-, , , , , 3.95588779449463, 11.8900003433228, , , , -0.395409107208252, , , , , , , , , , , 6.84802627563477, 0.0610548108816147, 15.9949159622192
-InChI%3D1S%2FC2H2ClN%2Fc3-1-2-4%2Fh1H2, , , , , 3.61065411567688, 11.9531059265137, , , , -0.42994350194931, , , , , , , , , , , 6.00500249862671, 0.307193040847778, 34.9688529968262
-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, , , , , 4.71490955352783, 11.8900003433228, , , , -0.365452826023102, , , , , , , , , , , 8.80163097381592, 0.278822183609009, 15.9969244003296
-InChI%3D1S%2FC9H9N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh1-3H%2C7-9H2, , , , , 4.49287557601929, 11.6899995803833, , , , -0.414708852767944, , , , , , , , , , , 8.46587944030762, 0.205989316105843, 14.0030784606934
-InChI%3D1S%2FC6H5ClN2O2%2Fc7-5-3-4%289%2810%2911%291-2-6%285%298%2Fh1-3H%2C8H2, , , , , 3.64690613746643, 11.8500003814697, , , , -0.321188002824783, , , , , , , , , , , 9.02013206481934, 0.258154273033142, 34.9688529968262
-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, , , , , -2.35684433391725e-06, 11.9962186813354, , , , -0.347110509872437, , , , , , , , , , , 12.1273164749146, 0.372302383184433, 22.9897708892822
-InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-4-2-1-3-6%287%295-12%2Fh1-4H, , , , , 3.6015739440918, 11.9974756240845, , , , -0.261947870254517, , , , , , , , , , , 8.24088668823242, 0.417793273925781, 19.0012531280518
-InChI%3D1S%2FC5H4N2O3%2Fc8-4-2-1-3-6-5%284%297%289%2910%2Fh1-3%2C8H, , , , , 3.4660313129425, 11.9964008331299, , , , -0.403410255908966, , , , , , , , , , , 7.24813938140869, 0.265796035528183, 15.998703956604
-InChI%3D1S%2FC9H10O3%2Fc1-11-8-4-3-7%286-10%299%285-8%2912-2%2Fh3-6H%2C1-2H3, , , , , 3.9464054107666, 11.9886016845703, , , , -0.387318462133408, , , , , , , , , , , 8.33697605133057, 0.215538129210472, 16.0061416625977
-InChI%3D1S%2FC6H7N%2Fc1-6-4-2-3-5-7-6%2Fh2-5H%2C1H3, , , , , 5.60143041610718, 11.9885540008545, , , , -0.291785031557083, , , , , , , , , , , 7.19389247894287, 0.121391035616398, 14.0142469406128
-InChI%3D1S%2FC7H5FO%2Fc8-7-4-2-1-3-6%287%295-9%2Fh1-5H, , , , , 3.78371405601501, 11.9974966049194, , , , -0.302079945802689, , , , , , , , , , , 7.6043815612793, 0.19095478951931, 19.0001335144043
-InChI%3D1S%2FC7H4Br2O2%2Fc8-5-1-4%283-10%297%2811%296%289%292-5%2Fh1-3%2C11H, , , , , 4.24302864074707, 11.996319770813, , , , -0.405773997306824, , , , , , , , , , , 10.7215099334717, 0.155950337648392, 78.9193344116211
-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, , , , , 2.34299731254578, 11.8500003814697, , , , -0.343211859464645, , , , , , , , , , , 11.1323480606079, 0.135636687278748, 34.9688529968262
-InChI%3D1S%2FC7H16O%2Fc1-2-3-4-5-6-7-8%2Fh8H%2C2-7H2%2C1H3, , , , , 3.92593622207642, 11.996319770813, , , , -0.421717911958694, , , , , , , , , , , 7.07208299636841, 0.0696944445371628, 15.9979429244995
-InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H, , , , , 4.85275363922119, 11.9940271377563, , , , -0.413152068853378, , , , , , , , , , , 5.50876808166504, 0.133407592773438, 16.0005397796631
-InChI%3D1S%2FC5H8F4O%2Fc1-4%282%2C10%295%288%2C9%293%286%297%2Fh3%2C10H%2C1-2H3, , , , , 3.16481256484985, 11.9964008331299, , , , -0.406367719173431, , , , , , , , , , , 7.35204744338989, 0.334495961666107, 19.001407623291
-InChI%3D1S%2FC4H6Cl2%2Fc1-2-4%286%293-5%2Fh2%2C4H%2C1%2C3H2, , , , , 5.55170917510986, 11.789999961853, , , , -0.294300466775894, , , , , , , , , , , 8.85850238800049, 0.12724557518959, 34.9698524475098
-InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H, , , , , 5.76899528503418, 11.998706817627, , , , -0.144798561930656, , , , , , , , , , , 8.80775833129883, 0.223458230495453, 34.9710578918457
-InChI%3D1S%2FC10H22O%2Fc1-3-5-7-9-11-10-8-6-4-2%2Fh3-10H2%2C1-2H3, , , , , 5.0653190612793, 11.8900003433228, , , , -0.38064780831337, , , , , , , , , , , 6.91554260253906, 0.0511504970490932, 15.9949169158936
-InChI%3D1S%2FC7H12O%2Fc1-5-7%284%2C8%296%282%293%2Fh1%2C6%2C8H%2C2-4H3, , , , , 4.82799482345581, 11.8900003433228, , , , -0.377137184143066, , , , , , , , , , , 8.48325538635254, 0.124991230666637, 15.9949159622192
-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, , , , , 5.3509521484375, 11.9885759353638, , , , -0.354463428258896, , , , , , , , , , , 11.3380661010742, 0.303247660398483, 31.9730739593506
-InChI%3D1S%2FC11H16N2%2Fc1-2-4-11%285-3-1%2910-13-8-6-12-7-9-13%2Fh1-5%2C12H%2C6-10H2, , , , , 6.50529956817627, 11.8500003814697, , , , -0.313655167818069, , , , , , , , , , , 9.03689670562744, 0.136226654052734, 14.0040855407715
-InChI%3D1S%2FC10H18%2Fc1-3-5-7-9-10-8-6-4-2%2Fh3-4H%2C1-2%2C5-10H2, , , , , 5.1206488609314, 11.789999961853, , , , -0.306948035955429, , , , , , , , , , , 7.4705662727356, 0.113308720290661, 12.2100791931152
-InChI%3D1S%2FC6H13Br%2Fc1-2-3-4-5-6-7%2Fh2-6H2%2C1H3, , , , , 5.14568424224854, 11.9988508224487, , , , -0.196193292737007, , , , , , , , , , , 8.16811466217041, 0.0854166895151138, 78.9185180664062
-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, , , , , 5.46296167373657, 11.8500003814697, , , , -0.375893026590347, , , , , , , , , , , 11.0231313705444, 0.154519304633141, 15.9949188232422
-InChI%3D1S%2FC9H7N%2Fc1-2-6-9-8%284-1%295-3-7-10-9%2Fh1-7H, , , , , 6.5654501914978, 11.8500003814697, , , , -0.226335898041725, , , , , , , , , , , 8.69901084899902, 0.130471497774124, 14.0030784606934
-InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3, , , , , 3.51460242271423, 11.8900003433228, , , , -0.284379482269287, , , , , , , , , , , 6.56926965713501, 0.453915268182755, 30.973762512207
-InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3, , , , , 3.59882807731628, 11.9989995956421, , , , -0.275286048650742, , , , , , , , , , , 8.25090026855469, 0.175847336649895, 16.0169982910156
-InChI%3D1S%2FC4H8Cl2%2Fc5-3-1-2-4-6%2Fh1-4H2, , , , , 5.20324659347534, 11.9985990524292, , , , -0.218639343976974, , , , , , , , , , , 7.22377252578735, 0.0943723320960999, 34.9701538085938
-InChI%3D1S%2FC6H12O%2Fc1-5%287%296%282%2C3%294%2Fh1-4H3, , , , , 4.42962169647217, 11.8900003433228, , , , -0.29891049861908, , , , , , , , , , , 8.43704414367676, 0.134945437312126, 15.9949159622192
-InChI%3D1S%2FC8H11N%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6H%2C2%2C9H2%2C1H3, , , , , 5.48162984848022, 11.8500003814697, , , , -0.32273069024086, , , , , , , , , , , 8.29286670684814, 0.128918573260307, 14.0030784606934
-InChI%3D1S%2FC4H6Cl2%2Fc1-4%282-5%293-6%2Fh1-3H2, , , , , 5.57416152954102, 11.9985990524292, , , , -0.211416080594063, , , , , , , , , , , 8.38400459289551, 0.114282250404358, 34.9701538085938
-InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh6H%2C2-5H2%2C1H3, , , , , 3.40818333625793, 11.9886989593506, , , , -0.38946196436882, , , , , , , , , , , 6.77340793609619, 0.206335827708244, 16.0059242248535
-InChI%3D1S%2FC6H12O%2Fc1-5%282%294-6%283%297%2Fh5H%2C4H2%2C1-3H3, , , , , 4.11524677276611, 11.8900003433228, , , , -0.299487978219986, , , , , , , , , , , 7.40813207626343, 0.191284835338593, 15.9949159622192
-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, , , , , 4.93945121765137, 11.9961566925049, , , , -0.415621072053909, , , , , , , , , , , 10.2236175537109, 0.269022792577744, 16.0008010864258
-InChI%3D1S%2FC9H10O3%2Fc1-2-12-9%2811%297-5-3-4-6-8%287%2910%2Fh3-6%2C10H%2C2H2%2C1H3, , , , , 4.57270956039429, 11.9962692260742, , , , -0.407966464757919, , , , , , , , , , , 8.60394382476807, 0.272210091352463, 15.998703956604
-InChI%3D1S%2FC8H10N4O2%2Fc1-10-4-9-6-5%2810%297%2813%2912%283%298%2814%2911%286%292%2Fh4H%2C1-3H3, , , , , 4.89059591293335, 11.9934787750244, , , , -0.277698546648026, , , , , , , , , , , 9.14126205444336, 0.285362482070923, 15.9959230422974
-InChI%3D1S%2FC3H2F6O%2Fc4-2%285%2C6%291%2810%293%287%2C8%299%2Fh1%2C10H, , , , , 2.86783647537231, 11.9976863861084, , , , -0.376508861780167, , , , , , , , , , , 5.32450532913208, 0.443044543266296, 19.0038108825684
-InChI%3D1S%2FC9H10O3%2Fc1-2-12-9-5-7%286-10%293-4-8%289%2911%2Fh3-6%2C11H%2C2H2%2C1H3, , , , , 3.89814376831055, 11.9962692260742, , , , -0.405562490224838, , , , , , , , , , , 8.24388885498047, 0.154987692832947, 15.998703956604
-InChI%3D1S%2FC6H6ClN%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C8H2, , , , , 5.89617967605591, 11.9985628128052, , , , -0.321178555488586, , , , , , , , , , , 8.74905204772949, 0.158789753913879, 34.9693794250488
-InChI%3D1S%2FC10H16%2Fc1-7-2-9-4-8%281%295-10%283-7%296-9%2Fh7-10H%2C1-6H2, , , , , 8.05116748809814, 11.8999996185303, , , , -0.143577560782433, , , , , , , , , , , 8.79258155822754, 0.0567212253808975, 12.1001720428467
-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, , , , , 5.01833963394165, 11.9985370635986, , , , -0.309661418199539, , , , , , , , , , , 9.89137744903564, 0.295068442821503, 34.971061706543
-InChI%3D1S%2FC7H9NO%2Fc1-6%289%297-4-3-5-8%287%292%2Fh3-5H%2C1-2H3, , , , , 4.46905899047852, 11.9935121536255, , , , -0.325559437274933, , , , , , , , , , , 8.42350673675537, 0.152458503842354, 15.9949169158936
-InChI%3D1S%2FC8H18S2%2Fc1-9-7-5-3-4-6-8-10-2%2Fh3-8H2%2C1-2H3, , , , , 6.87114000320435, 11.9984741210938, , , , -0.22370083630085, , , , , , , , , , , 8.79827690124512, 0.0408639125525951, 31.973424911499
-InChI%3D1S%2FC6H4Br2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H, , , , , 7.40974998474121, 11.9988508224487, , , , -0.174667865037918, , , , , , , , , , , 10.9170436859131, 0.147736877202988, 78.91943359375
-InChI%3D1S%2FC4H9Br%2Fc1-2-3-4-5%2Fh2-4H2%2C1H3, , , , , 5.20174741744995, 11.9988651275635, , , , -0.196192249655724, , , , , , , , , , , 7.93279647827148, 0.0853820443153381, 78.9185180664062
-InChI%3D1S%2FC7H7NO2%2Fc1-6-3-2-4-7%285-6%298%289%2910%2Fh2-5H%2C1H3, , , , , 3.54915952682495, 11.9989995956421, , , , -0.275410950183868, , , , , , , , , , , 7.77664184570312, 0.175356715917587, 16.0168704986572
-InChI%3D1S%2FC6H3Cl4N%2Fc7-2-1-3%288%295%2810%296%2811%294%282%299%2Fh1H%2C11H2, , , , , 6.87380933761597, 11.9985628128052, , , , -0.319339543581009, , , , , , , , , , , 10.4596910476685, 0.184110641479492, 34.9720077514648
-InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-3-6%288%295-7%2Fh2-5%2C8H%2C1H3, , , , , 4.68997287750244, 11.8500003814697, , , , -0.385681331157684, , , , , , , , , , , 7.50723648071289, 0.224214732646942, 15.9959182739258
-InChI%3D1S%2FCHI3%2Fc2-1%283%294%2Fh1H, , , , , 12.8349380493164, 11.9998950958252, , , , -0.112350940704346, , , , , , , , , , , 18.8230228424072, 0.166204184293747, 126.906509399414
-InChI%3D1S%2FC6H14O%2Fc1-5%282%297-6%283%294%2Fh5-6H%2C1-4H3, , , , , 5.35393857955933, 11.8900003433228, , , , -0.37531965970993, , , , , , , , , , , 6.86320829391479, 0.12616890668869, 15.9949159622192
-InChI%3D1S%2FC6H12O2%2Fc1-3-4-5-8-6%282%297%2Fh3-5H2%2C1-2H3, , , , , 3.68244957923889, 11.8900003433228, , , , -0.315860152244568, , , , , , , , , , , 6.5028247833252, 0.301592171192169, 15.9959173202515
-InChI%3D1S%2FC10H18O2%2Fc1-2-3-4-5-6-9-7-8-10%2811%2912-9%2Fh9H%2C2-8H2%2C1H3, , , , , 3.93445873260498, 11.9967393875122, , , , -0.336969047784805, , , , , , , , , , , 7.96666669845581, 0.261845171451569, 15.9977865219116
-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%2B, , , , , 4.72754430770874, 11.8500003814697, , , , -0.385721117258072, , , , , , , , , , , 8.43601417541504, 0.210066378116608, 15.9949188232422
-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, , , , , 5.11348104476929, 11.8500003814697, , , , -0.370678216218948, , , , , , , , , , , 8.11807346343994, 0.212317496538162, 15.9949178695679
-InChI%3D1S%2FC6H9NO%2Fc1-4-5%282%298-6%283%297-4%2Fh1-3H3, , , , , 5.10911273956299, 11.9885540008545, , , , -0.343069434165955, , , , , , , , , , , 6.95988607406616, 0.230354502797127, 15.9949169158936
-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, , , , , 5.77476978302002, 11.8500003814697, , , , -0.313176304101944, , , , , , , , , , , 11.0895690917969, 0.165554583072662, 30.973762512207
-InChI%3D1S%2FC11H13NO%2Fc1-12%282%2911-7-5-10%286-8-11%294-3-9-13%2Fh3-9H%2C1-2H3%2Fb4-3%2B, , , , , 3.65735983848572, 11.9934062957764, , , , -0.338266879320145, , , , , , , , , , , 8.94346523284912, 0.142308011651039, 15.9949178695679
-InChI%3D1S%2FC9H11NO2%2Fc1-2-12-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3, , , , , 4.54796075820923, 11.8500003814697, , , , -0.323032528162003, , , , , , , , , , , 8.52862739562988, 0.269431591033936, 15.9959201812744
-InChI%3D1S%2FC8H10O2%2Fc9-6-7-10-8-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2, , , , , 3.8363950252533, 11.8500003814697, , , , -0.393431693315506, , , , , , , , , , , 7.74520921707153, 0.211740657687187, 15.9959182739258
-InChI%3D1S%2FC2H3Cl3%2Fc3-1-2%284%295%2Fh2H%2C1H2, , , , , 5.59424543380737, 11.998706817627, , , , -0.177462980151176, , , , , , , , , , , 8.76401519775391, 0.212212473154068, 34.9710578918457
-InChI%3D1S%2FC8H12O%2Fc1-2-8%289%296-4-3-5-7-8%2Fh1%2C9H%2C3-7H2, , , , , 4.87030792236328, 11.8999996185303, , , , -0.377120852470398, , , , , , , , , , , 8.66194915771484, 0.177967697381973, 15.9949169158936
-InChI%3D1S%2FC10H15NO2%2Fc12-8-6-11%287-9-13%2910-4-2-1-3-5-10%2Fh1-5%2C12-13H%2C6-9H2, , , , , 4.24075794219971, 11.8500003814697, , , , -0.39540895819664, , , , , , , , , , , 9.41496086120605, 0.170555248856544, 15.9959211349487
-InChI%3D1S%2FC10H14%2Fc1-3-9-6-5-7-10%284-2%298-9%2Fh5-8H%2C3-4H2%2C1-2H3, , , , , 5.56448459625244, 11.8500003814697, , , , -0.170049831271172, , , , , , , , , , , 8.64489936828613, 0.130159944295883, 12.1501121520996
-InChI%3D1S%2FC7H4Cl2O%2Fc8-6-2-1-5%284-10%297%289%293-6%2Fh1-4H, , , , , 4.10071611404419, 11.9985513687134, , , , -0.302113354206085, , , , , , , , , , , 9.39578628540039, 0.15403313934803, 34.9701538085938
-InChI%3D1S%2FC5H12ClN.ClH%2Fc1-7%282%295-3-4-6%3B%2Fh3-5H2%2C1-2H3%3B1H, , , , , 2.72999811172485, 11.993597984314, , , , -0.345290243625641, , , , , , , , , , , 7.33478355407715, 0.0503652952611446, 34.9698524475098
-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, , , , , 4.99158668518066, 11.9984560012817, , , , -0.309695094823837, , , , , , , , , , , 10.6754837036133, 0.293627083301544, 31.9734268188477
-InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-4-2-3-5-8%287%2911%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, , , , , 4.70967102050781, 11.9962921142578, , , , -0.383387863636017, , , , , , , , , , , 8.49813175201416, 0.156618356704712, 15.9982604980469
-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, , , , , -2.00572912945063e-06, 11.9962329864502, , , , -0.347178131341934, , , , , , , , , , , 12.1098175048828, 0.284497112035751, 31.9720726013184
-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, , , , , 5.32272624969482, 11.9934511184692, , , , -0.335845917463303, , , , , , , , , , , 9.75038623809814, 0.212869003415108, 34.9698524475098
-InChI%3D1S%2FC7H14O%2Fc1-3-4-5-6-7%282%298%2Fh3-6H2%2C1-2H3, , , , , 4.07594966888428, 11.8900003433228, , , , -0.299502551555634, , , , , , , , , , , 7.09377241134644, 0.191097632050514, 15.9949159622192
-InChI%3D1S%2FC10H12O%2Fc1-8%282%2910-5-3-9%287-11%294-6-10%2Fh3-8H%2C1-2H3, , , , , 3.87368440628052, 11.8900003433228, , , , -0.302194476127625, , , , , , , , , , , 8.93419551849365, 0.127505883574486, 15.9949169158936
-InChI%3D1S%2FC6H4FNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H, , , , , 3.46688532829285, 11.9989995956421, , , , -0.275414705276489, , , , , , , , , , , 7.33500814437866, 0.175439268350601, 18.998405456543
-InChI%3D1S%2FC4Cl6%2Fc5-1%283%287%298%292%286%294%289%2910, , , , , 7.27336740493774, 11.9985990524292, , , , -0.143226534128189, , , , , , , , , , , 11.8670063018799, 0.232119083404541, 34.9739570617676
-InChI%3D1S%2FC8H19O2PS3%2Fc1-4-9-11%2812%2C10-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3, , , , , 5.26696538925171, 11.8900003433228, , , , -0.322622269392014, , , , , , , , , , , 11.9415817260742, 0.21854105591774, 31.9740753173828
-InChI%3D1S%2FC10H18O%2Fc1-9%282%298-4-6-10%283%2C11-9%297-5-8%2Fh8H%2C4-7H2%2C1-3H3, , , , , 6.6308126449585, 11.9967393875122, , , , -0.390224009752274, , , , , , , , , , , 9.40177440643311, 0.0888718888163567, 15.9974184036255
-InChI%3D1S%2FC13H11NO%2Fc15-11-14%2812-7-3-1-4-8-12%2913-9-5-2-6-10-13%2Fh1-11H, , , , , 4.34008932113647, 11.8500003814697, , , , -0.284574061632156, , , , , , , , , , , 9.96988582611084, 0.190784379839897, 15.9949188232422
-InChI%3D1S%2FC12H27N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-13H2%2C1H3, , , , , 4.75708484649658, 11.99338722229, , , , -0.363889992237091, , , , , , , , , , , 7.55831909179688, 0.0272369235754013, 14.0091028213501
-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, , , , , 4.91428899765015, 11.8999996185303, , , , -0.331164956092834, , , , , , , , , , , 12.8566961288452, 0.265200942754745, 15.995924949646
-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%3F%2C21%2B%2Fm1%2Fs1, , , , , 4.95929622650146, 11.9961366653442, , , , -0.399039626121521, , , , , , , , , , , 11.0824022293091, 0.150240615010262, 16.0008087158203
-InChI%3D1S%2FC8H11N%2Fc1-3-8-5-4-7%282%299-6-8%2Fh4-6H%2C3H2%2C1-2H3, , , , , 5.44519567489624, 11.8500003814697, , , , -0.226955816149712, , , , , , , , , , , 8.1431303024292, 0.176794901490211, 14.0030784606934
-InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3, , , , , 4.58894443511963, 11.9989995956421, , , , -0.370959162712097, , , , , , , , , , , 5.86555194854736, 0.0023641767911613, 14.113076210022
-InChI%3D1S%2FC9H16O%2Fc1-5-9%284%2C10%297-6-8%282%293%2Fh1%2C8%2C10H%2C6-7H2%2C2-4H3, , , , , 4.82799386978149, 11.8900003433228, , , , -0.377409696578979, , , , , , , , , , , 8.48325824737549, 0.122740544378757, 15.9949169158936
-InChI%3D1S%2FC8H10%2Fc1-7-5-3-4-6-8%287%292%2Fh3-6H%2C1-2H3, , , , , 6.0765175819397, 11.8900003433228, , , , -0.149102881550789, , , , , , , , , , , 8.13570690155029, 0.0750460997223854, 12.1101140975952
-InChI%3D1S%2FC12H10OS%2Fc13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H, , , , , 6.8829493522644, 11.8500003814697, , , , -0.257783323526382, , , , , , , , , , , 11.3768539428711, 0.184408590197563, 31.9720726013184
-InChI%3D1S%2FC9H11NO%2Fc1-10%282%299-5-3-8%287-11%294-6-9%2Fh3-7H%2C1-2H3, , , , , 3.86844992637634, 11.9934511184692, , , , -0.33826532959938, , , , , , , , , , , 8.76669502258301, 0.127503052353859, 15.9949178695679
-InChI%3D1S%2FHN3.Na%2Fc1-3-2%3B%2Fh1H%3B%2Fq-1%3B%2B1, , , , , -8.84833980308031e-07, 13.8930740356445, , , , -0.269533097743988, , , , , , , , , , , 3.71343183517456, 0.000251695280894637, 22.9897689819336
-InChI%3D1S%2FC12H8O%2Fc1-3-7-11-9%285-1%2910-6-2-4-8-12%2810%2913-11%2Fh1-8H, , , , , 6.83765602111816, 11.8500003814697, , , , -0.360007256269455, , , , , , , , , , , 9.46804618835449, 0.223460286855698, 15.9949178695679
-InChI%3D1S%2FC4H12N.ClH%2Fc1-5%282%2C3%294%3B%2Fh1-4H3%3B1H%2Fq%2B1%3B%2Fp-1, , , , , 2.34299874305725, 11.9936571121216, , , , -0.386426478624344, , , , , , , , , , , 7.6743950843811, 0.00850563868880272, 34.9688529968262
-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, , , , , -2.24614882426977e-06, 11.9962329864502, , , , -0.347115010023117, , , , , , , , , , , 11.7285671234131, 0.372299611568451, 22.9897708892822
-InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3H%2C%28H2%2C10%2C11%29, , , , , 5.33533525466919, 11.9985513687134, , , , -0.347882807254791, , , , , , , , , , , 10.2648811340332, 0.15509931743145, 34.9701538085938
-InChI%3D1S%2FC6H2Cl2N2O4%2Fc7-3-1-4%288%296%2810%2813%2914%292-5%283%299%2811%2912%2Fh1-2H, , , , , 3.86515617370605, 11.9985628128052, , , , -0.196623742580414, , , , , , , , , , , 9.38216972351074, 0.187319114804268, 34.970157623291
-InChI%3D1S%2FC6H5NO%2Fc8-5-6-2-1-3-7-4-6%2Fh1-5H, , , , , 3.75340366363525, 11.8500003814697, , , , -0.30213725566864, , , , , , , , , , , 7.50826692581177, 0.209350496530533, 15.9949169158936
-InChI%3D1S%2FC12H9NO3%2Fc14-13%2815%2910-6-8-12%289-7-10%2916-11-4-2-1-3-5-11%2Fh1-9H, , , , , 3.55461239814758, 11.8500003814697, , , , -0.360675722360611, , , , , , , , , , , 8.42987060546875, 0.212389141321182, 15.9969253540039
-InChI%3D1S%2FC12H10O%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10H, , , , , 6.49844932556152, 11.8500003814697, , , , -0.360669255256653, , , , , , , , , , , 8.31355381011963, 0.212330043315887, 15.9949178695679
-InChI%3D1S%2FC18H30O%2Fc1-16%282%2C3%2912-10-13%2817%284%2C5%296%2915%2819%2914%2811-12%2918%287%2C8%299%2Fh10-11%2C19H%2C1-9H3, , , , , 6.36253356933594, 11.8900003433228, , , , -0.385075896978378, , , , , , , , , , , 11.1952791213989, 0.109259977936745, 15.9949188232422
-InChI%3D1S%2FC6H14%2Fc1-3-5-6-4-2%2Fh3-6H2%2C1-2H3, , , , , 5.03814935684204, 11.8900003433228, , , , -0.170505166053772, , , , , , , , , , , 6.69988679885864, 0.0497785061597824, 12.1100749969482
-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, , , , , 4.7785701751709, 11.8900003433228, , , , -0.316401213407516, , , , , , , , , , , 9.43235492706299, 0.271344065666199, 15.9979267120361
-InChI%3D1S%2FC7H14N2O2S%2Fc1-7%282%2C12-4%295-9-11-6%2810%298-3%2Fh5H%2C1-4H3%2C%28H%2C8%2C10%29, , , , , 4.48403167724609, 11.9984836578369, , , , -0.32416495680809, , , , , , , , , , , 10.9956121444702, 0.303534626960754, 31.972677230835
-InChI%3D1S%2FC9H12O2%2Fc1-7-8%2810-2%295-4-6-9%287%2911-3%2Fh4-6H%2C1-3H3, , , , , 4.88548421859741, 11.8900003433228, , , , -0.374455004930496, , , , , , , , , , , 8.60542392730713, 0.115973308682442, 15.9959192276001
-InChI%3D1S%2FC4H8O2%2Fc1-3-6-4%282%295%2Fh3H2%2C1-2H3, , , , , 3.5645592212677, 11.8900003433228, , , , -0.3161361515522, , , , , , , , , , , 5.37165546417236, 0.301574528217316, 15.9959163665771
-InChI%3D1S%2FC6H7N%2Fc1-6-2-4-7-5-3-6%2Fh2-5H%2C1H3, , , , , 5.72648668289185, 11.8500003814697, , , , -0.230538979172707, , , , , , , , , , , 7.44781160354614, 0.135951638221741, 14.003077507019
-InChI%3D1S%2FC6H5ClO%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4%2C8H, , , , , 4.71643447875977, 11.8500003814697, , , , -0.385701537132263, , , , , , , , , , , 8.25819301605225, 0.209899634122849, 34.9688529968262
-InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H, , , , , 6.57588672637939, 11.8500003814697, , , , -0.300669223070145, , , , , , , , , , , 8.92821025848389, 0.1692735850811, 14.003080368042
-InChI%3D1S%2FC5H13N%2Fc1-5%282%2C3%294-6%2Fh4%2C6H2%2C1-3H3, , , , , 5.08037090301514, 11.8900003433228, , , , -0.329496800899506, , , , , , , , , , , 8.19259262084961, 0.0691761747002602, 14.0030765533447
-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, , , , , 5.03998279571533, 11.8500003814697, , , , -0.344288915395737, , , , , , , , , , , 9.56670093536377, 0.483899682760239, 31.9720726013184
-InChI%3D1S%2FC8H6Cl2O%2Fc1-5%2811%297-3-2-6%289%294-8%287%2910%2Fh2-4H%2C1H3, , , , , 4.74146509170532, 11.8500003814697, , , , -0.298753380775452, , , , , , , , , , , 9.71201038360596, 0.218971624970436, 34.9698524475098
-InChI%3D1S%2FC9H12O%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5%2C10H%2C1-3H3, , , , , 5.30152559280396, 11.8500003814697, , , , -0.38511398434639, , , , , , , , , , , 8.36591625213623, 0.129681304097176, 15.9949169158936
-InChI%3D1S%2FC7H7NO%2Fc1-6%289%297-2-4-8-5-3-7%2Fh2-5H%2C1H3, , , , , 4.41499614715576, 11.8500003814697, , , , -0.29883000254631, , , , , , , , , , , 8.227219581604, 0.176509886980057, 15.9949169158936
-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, , , , , 5.08720445632935, 11.9962692260742, , , , -0.37211537361145, , , , , , , , , , , 9.7215576171875, 0.15936566889286, 34.9698524475098
-InChI%3D1S%2FC10H21N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3, , , , , 5.69215631484985, 11.8999996185303, , , , -0.300464868545532, , , , , , , , , , , 9.53669738769531, 0.089156299829483, 14.0030794143677
-InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H, , , , , 6.18343162536621, 11.9985628128052, , , , -0.380745410919189, , , , , , , , , , , 11.1922044754028, 0.193229749798775, 34.9729766845703
-InChI%3D1S%2FC10H15N%2Fc1-2-3-4-9-5-7-10%2811%298-6-9%2Fh5-8H%2C2-4%2C11H2%2C1H3, , , , , 5.21565723419189, 11.8500003814697, , , , -0.322737723588943, , , , , , , , , , , 8.75859642028809, 0.129079416394234, 14.0030794143677
-InChI%3D1S%2FC8H8ClNO%2Fc1-6-7%289%293-2-4-8%286%2910-5-11%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%29, , , , , 4.17734622955322, 11.9962921142578, , , , -0.375115931034088, , , , , , , , , , , 9.32845783233643, 0.145868748426437, 34.9688529968262
-InChI%3D1S%2FC7H12O%2Fc8-7-4-5-1-2-6%287%293-5%2Fh5-8H%2C1-4H2%2Ft5-%2C6%2B%2C7%3F%2Fm0%2Fs1, , , , , 4.88399744033813, 11.8999996185303, , , , -0.392198741436005, , , , , , , , , , , 8.1190185546875, 0.0595926903188229, 15.9949159622192
-InChI%3D1S%2FC10H12O4%2Fc1-12-8-5-10%2814-3%299%2813-2%294-7%288%296-11%2Fh4-6H%2C1-3H3, , , , , 4.03554821014404, 11.9962491989136, , , , -0.399006873369217, , , , , , , , , , , 8.61174011230469, 0.139298468828201, 15.9992876052856
-InChI%3D1S%2FC11H25N%2Fc1-2-3-4-5-6-7-8-9-10-11-12%2Fh2-12H2%2C1H3, , , , , 4.75646781921387, 11.9934062957764, , , , -0.363888680934906, , , , , , , , , , , 7.51912498474121, 0.0272116214036942, 14.0091018676758
-InChI%3D1S%2FC3H2N2%2Fc4-2-1-3-5%2Fh1H2, , , , , 3.47409510612488, 11.9530916213989, , , , -0.432044297456741, , , , , , , , , , , 5.48600435256958, 0.301898568868637, 14.0499820709229
-InChI%3D1S%2FC8H19O3PS2%2Fc1-4-10-12%289%2C11-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3, , , , , 4.67577600479126, 11.8900003433228, , , , -0.298808127641678, , , , , , , , , , , 9.73330402374268, 0.372997879981995, 31.9730739593506
-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, , , , , 5.13574028015137, 11.8500003814697, , , , -0.305811583995819, , , , , , , , , , , 9.90858936309814, 0.27211731672287, 15.9979343414307
-InChI%3D1S%2FC7H15NO%2Fc1-6%287%282%299%295-8%283%294%2Fh6H%2C5H2%2C1-4H3, , , , , 4.40868330001831, 11.8900003433228, , , , -0.30857852101326, , , , , , , , , , , 8.34800624847412, 0.194281533360481, 15.9949169158936
-InChI%3D1S%2FC8H8O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-4H%2C5-6H2, , , , , 6.25058937072754, 11.8500003814697, , , , -0.370317816734314, , , , , , , , , , , 8.17138290405273, 0.137035444378853, 15.9949169158936
-InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2, , , , , 5.65861177444458, 11.9986352920532, , , , -0.213589757680893, , , , , , , , , , , 9.03900241851807, 0.114917285740376, 34.9710578918457
-InChI%3D1S%2FC7H9N%2Fc1-8-7-5-3-2-4-6-7%2Fh2-6%2C8H%2C1H3, , , , , 5.28008937835693, 11.8500003814697, , , , -0.31148424744606, , , , , , , , , , , 7.9875602722168, 0.168776705861092, 14.003077507019
-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, , , , , 3.73267269134521, 11.9989995956421, , , , -0.382836014032364, , , , , , , , , , , 9.85950756072998, 0.191600158810616, 16.0170707702637
-InChI%3D1S%2FC6H12O2%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H%2C7%2C8%29, , , , , 3.68244814872742, 11.9963550567627, , , , -0.35136878490448, , , , , , , , , , , 6.89701747894287, 0.278705090284348, 15.9982585906982
-InChI%3D1S%2FC6H12O%2Fc1-3-4-6%282%295-7%2Fh5-6H%2C3-4H2%2C1-2H3, , , , , 3.68711113929749, 11.9886989593506, , , , -0.388801485300064, , , , , , , , , , , 7.47663021087646, 0.208773478865623, 16.0059242248535
-InChI%3D1S%2FC6H4N2O5%2Fc9-6-4%287%2810%2911%292-1-3-5%286%298%2812%2913%2Fh1-3%2C9H, , , , , 3.61834383010864, 11.9963550567627, , , , -0.401944428682327, , , , , , , , , , , 7.85844564437866, 0.192689448595047, 15.9999933242798
-InChI%3D1S%2FC8H7ClO2%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5H%2C1H3, , , , , 4.4178352355957, 11.8500003814697, , , , -0.318523079156876, , , , , , , , , , , 8.48530864715576, 0.26917776465416, 34.9688529968262
-InChI%3D1S%2FC6HBr5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H, , , , , 7.12349653244019, 11.9988508224487, , , , -0.381501317024231, , , , , , , , , , , 14.0846977233887, 0.170589447021484, 78.9223785400391
-InChI%3D1S%2FC9H14O3%2Fc1-7%282%299%2810%2912-6-8-4-3-5-11-8%2Fh8H%2C1%2C3-6H2%2C2H3, , , , , 4.45818185806274, 11.9967565536499, , , , -0.395989298820496, , , , , , , , , , , 7.59509372711182, 0.288409113883972, 15.9983024597168
-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, , , , , 5.06014823913574, 11.9985065460205, , , , -0.3607137799263, , , , , , , , , , , 10.233847618103, 0.265871316194534, 34.970157623291
-InChI%3D1S%2FC7H14O%2Fc1-6%282%294-5-7%283%298%2Fh6H%2C4-5H2%2C1-3H3, , , , , 4.11524677276611, 11.8900003433228, , , , -0.299502313137054, , , , , , , , , , , 7.5250768661499, 0.191105291247368, 15.9949159622192
-InChI%3D1S%2FC2H3Cl3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2, , , , , 4.79124784469604, 11.998706817627, , , , -0.389718472957611, , , , , , , , , , , 9.97643280029297, 0.317739456892014, 34.9710578918457
-InChI%3D1S%2FC10H8O%2Fc11-10-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7%2C11H, , , , , 5.24977684020996, 11.8500003814697, , , , -0.385381072759628, , , , , , , , , , , 9.20331478118896, 0.158435061573982, 15.9949169158936
-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, , , , , 4.77080821990967, 11.8500003814697, , , , -0.325772672891617, , , , , , , , , , , 9.74450874328613, 0.278736740350723, 15.995922088623
-InChI%3D1S%2FC4H5N%2Fc1-2-4-5-3-1%2Fh1-5H, , , , , 4.78075313568115, 11.9886379241943, , , , -0.296273916959763, , , , , , , , , , , 5.14172554016113, 0.111800193786621, 14.0142459869385
-InChI%3D1S%2FC9H13N%2Fc1-10%282%298-9-6-4-3-5-7-9%2Fh3-7H%2C8H2%2C1-2H3, , , , , 5.74754667282104, 11.8500003814697, , , , -0.308330982923508, , , , , , , , , , , 8.69286727905273, 0.136054158210754, 14.0030784606934
-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, , , , , 5.13253355026245, 11.8500003814697, , , , -0.322751492261887, , , , , , , , , , , 8.904616355896, 0.12912954390049, 14.0030813217163
-InChI%3D1S%2FC3H7ClO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2H2%2C1H3, , , , , 4.4419960975647, 11.9986352920532, , , , -0.391045540571213, , , , , , , , , , , 6.69685029983521, 0.116863012313843, 34.9693794250488
-InChI%3D1S%2FC7H8ClN%2Fc1-5-2-3-7%289%296%288%294-5%2Fh2-4H%2C9H2%2C1H3, , , , , 5.97476625442505, 11.8500003814697, , , , -0.321181654930115, , , , , , , , , , , 9.05875682830811, 0.141450166702271, 34.9688529968262
-InChI%3D1S%2FC7H10N2%2Fc1-9%282%297-5-3-4-6-8-7%2Fh3-6H%2C1-2H3, , , , , 5.8244686126709, 11.9885187149048, , , , -0.287165284156799, , , , , , , , , , , 8.27364444732666, 0.182332083582878, 14.014349937439
-InChI%3D1S%2FC6H14S2%2Fc1-3-7-5-6-8-4-2%2Fh3-6H2%2C1-2H3, , , , , 6.08556890487671, 11.8900003433228, , , , -0.161834090948105, , , , , , , , , , , 9.79494476318359, 0.0798034891486168, 31.973072052002
-InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29, , , , , 4.5205397605896, 11.8900003433228, , , , -0.324157893657684, , , , , , , , , , , 9.16732692718506, 0.303580760955811, 31.9720706939697
-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, , , , , 4.70089673995972, 11.8900003433228, , , , -0.316136986017227, , , , , , , , , , , 8.76800155639648, 0.270518034696579, 15.9979305267334
-InChI%3D1S%2FC7H7F%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C1H3, , , , , 4.14896297454834, 11.9974966049194, , , , -0.267186254262924, , , , , , , , , , , 7.45538234710693, 0.183849215507507, 19.0001335144043
-InChI%3D1S%2FC5H13N%2Fc1-2-3-4-5-6%2Fh2-6H2%2C1H3, , , , , 4.67864179611206, 11.993597984314, , , , -0.363880604505539, , , , , , , , , , , 6.6570291519165, 0.02707314863801, 14.0090990066528
-InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H, , , , , 5.88618183135986, 11.8500003814697, , , , -0.163073256611824, , , , , , , , , , , 8.22186851501465, 0.208271309733391, 34.9688529968262
-InChI%3D1S%2FC8H6ClNO3%2Fc1-5%2811%296-2-3-7%289%298%284-6%2910%2812%2913%2Fh2-4H%2C1H3, , , , , 3.84556651115417, 11.9989995956421, , , , -0.298838943243027, , , , , , , , , , , 9.00679779052734, 0.184763386845589, 34.9688529968262
-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, , , , , 4.1133828163147, 11.8500003814697, , , , -0.273977488279343, , , , , , , , , , , 7.88036012649536, 0.455896973609924, 30.973762512207
-InChI%3D1S%2FC7H4ClNS2%2Fc8-4-1-2-6-5%283-4%299-7%2810%2911-6%2Fh1-3H%2C%28H%2C9%2C10%29, , , , , 6.34404373168945, 11.8500003814697, , , , -0.199826404452324, , , , , , , , , , , 11.5133838653564, 0.216877803206444, 34.9688529968262
-InChI%3D1S%2FC9H18O%2Fc1-3-5-7-9%2810%298-6-4-2%2Fh3-8H2%2C1-2H3, , , , , 4.58680629730225, 11.8900003433228, , , , -0.299200713634491, , , , , , , , , , , 7.4110746383667, 0.132706537842751, 15.9949169158936
-InChI%3D1S%2FC6H5N3O4%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2812%2913%2Fh1-3H%2C7H2, , , , , 3.59359383583069, 11.9989995956421, , , , -0.320906460285187, , , , , , , , , , , 8.16714096069336, 0.179348975419998, 16.0169982910156
-InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-3-2-4-8%2811%295-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, , , , , 4.69492340087891, 11.9962921142578, , , , -0.385672330856323, , , , , , , , , , , 8.38050651550293, 0.156472340226173, 15.9982604980469
-InChI%3D1S%2FC6H8O%2Fc1-5-3-4-6%282%297-5%2Fh3-4H%2C1-2H3, , , , , 5.36668729782104, 11.9939165115356, , , , -0.406360983848572, , , , , , , , , , , 6.74091863632202, 0.143871814012527, 16.0005397796631
-InChI%3D1S%2FC11H14O4%2Fc1-7%2812%298-5-6-9%2813-2%2911%2815-4%2910%288%2914-3%2Fh5-6H%2C1-4H3, , , , , 4.67629194259644, 11.9962329864502, , , , -0.396297335624695, , , , , , , , , , , 9.2524938583374, 0.167616471648216, 15.99928855896
-InChI%3D1S%2FC6H10O3%2Fc1-3-6%288%299-4-5%282%297%2Fh3%2C5%2C7H%2C1%2C4H2%2C2H3, , , , , 4.07130527496338, 11.789999961853, , , , -0.390429258346558, , , , , , , , , , , 6.44432830810547, 0.285461783409119, 15.996919631958
-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, , , , , 4.89909791946411, 11.9962692260742, , , , -0.345136046409607, , , , , , , , , , , 8.67341327667236, 0.298055678606033, 34.9688529968262
-InChI%3D1S%2FC8H16O%2Fc1-3-4-5-6-7-8%282%299%2Fh3-7H2%2C1-2H3, , , , , 4.09559774398804, 11.8900003433228, , , , -0.299506425857544, , , , , , , , , , , 7.2509765625, 0.191105574369431, 15.9949169158936
-InChI%3D1S%2FC8H17Br%2Fc1-2-3-4-5-6-7-8-9%2Fh2-8H2%2C1H3, , , , , 5.13166809082031, 11.9988441467285, , , , -0.196196123957634, , , , , , , , , , , 8.22695732116699, 0.0854445546865463, 78.9185180664062
-InChI%3D1S%2FC13H10O2%2Fc14-10-11-6-8-13%289-7-11%2915-12-4-2-1-3-5-12%2Fh1-10H, , , , , 3.85910820960999, 11.8500003814697, , , , -0.360983908176422, , , , , , , , , , , 8.46780490875244, 0.212204203009605, 15.9959211349487
-InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H, , , , , 5.38322877883911, 11.8500003814697, , , , -0.385386258363724, , , , , , , , , , , 9.63482856750488, 0.133804306387901, 15.9949178695679
-InChI%3D1S%2FC10H11NO4%2Fc1-14-9%2812%296-3-4-7%288%2811%295-6%2910%2813%2915-2%2Fh3-5H%2C11H2%2C1-2H3, , , , , 4.48631763458252, 11.8500003814697, , , , -0.322575300931931, , , , , , , , , , , 9.00253295898438, 0.271391868591309, 15.9979267120361
-InChI%3D1S%2FC9H13N%2Fc1-2-10-8-9-6-4-3-5-7-9%2Fh3-7%2C10H%2C2%2C8H2%2C1H3, , , , , 5.12339353561401, 11.8500003814697, , , , -0.315697252750397, , , , , , , , , , , 8.53689956665039, 0.136041358113289, 14.0030784606934
-InChI%3D1S%2FC3H6Cl2%2Fc4-2-1-3-5%2Fh1-3H2, , , , , 5.1681809425354, 11.9986352920532, , , , -0.218368798494339, , , , , , , , , , , 7.08301687240601, 0.0956682488322258, 34.9701538085938
-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, , , , , 4.24669885635376, 11.8500003814697, , , , -0.39444500207901, , , , , , , , , , , 9.61124420166016, 0.171900391578674, 15.9949178695679
-InChI%3D1S%2FC6H12O2%2Fc1-5%287%298-6%282%2C3%294%2Fh1-4H3, , , , , 3.87893414497375, 11.8900003433228, , , , -0.310055136680603, , , , , , , , , , , 7.88464641571045, 0.258849501609802, 15.9959173202515
-InChI%3D1S%2FC11H22O%2Fc1-3-4-5-6-7-8-9-10-11%282%2912%2Fh3-10H2%2C1-2H3, , , , , 4.11278915405273, 11.8900003433228, , , , -0.299517869949341, , , , , , , , , , , 7.50503730773926, 0.191129818558693, 15.9949178695679
-InChI%3D1S%2FC6H4Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H, , , , , 6.3706693649292, 11.9985628128052, , , , -0.197855725884438, , , , , , , , , , , 9.18192768096924, 0.165518701076508, 34.9701538085938
-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, , , , , 5.13098621368408, 11.8500003814697, , , , -0.365952372550964, , , , , , , , , , , 9.63842296600342, 0.147156074643135, 15.995922088623
-InChI%3D1S%2FC9H9N%2Fc1-7-6-10-9-5-3-2-4-8%287%299%2Fh2-6%2C10H%2C1H3, , , , , 5.91346168518066, 11.8500003814697, , , , -0.226020693778992, , , , , , , , , , , 8.7730712890625, 0.192233696579933, 14.0030784606934
-InChI%3D1S%2FC12H10S2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H, , , , , 6.90472459793091, 11.8500003814697, , , , -0.136898055672646, , , , , , , , , , , 11.7158117294312, 0.170327454805374, 31.973072052002
-InChI%3D1S%2FC6H4N2O5%2Fc9-6-2-1-4%287%2810%2911%293-5%286%298%2812%2913%2Fh1-3%2C9H, , , , , 3.57423448562622, 11.9989995956421, , , , -0.38314563035965, , , , , , , , , , , 7.85739040374756, 0.191282019019127, 16.017068862915
-InChI%3D1S%2FC6H4Cl2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H, , , , , 5.20543336868286, 11.8500003814697, , , , -0.383504122495651, , , , , , , , , , , 8.92364120483398, 0.219751685857773, 34.9698524475098
-InChI%3D1S%2FC10H10O2%2Fc1-8%2811%297-10%2812%299-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3, , , , , 4.23564338684082, 11.8500003814697, , , , -0.299620568752289, , , , , , , , , , , 8.81979370117188, 0.168827369809151, 15.9959192276001
-InChI%3D1S%2FC6H14O%2Fc1-2-3-4-5-6-7%2Fh7H%2C2-6H2%2C1H3, , , , , 3.90619826316833, 11.9963550567627, , , , -0.421716451644897, , , , , , , , , , , 6.81652355194092, 0.0696816220879555, 15.9979429244995
-InChI%3D1S%2FC7H6N2O5%2Fc1-4-2-5%288%2811%2912%293-6%287%284%2910%299%2813%2914%2Fh2-3%2C10H%2C1H3, , , , , 3.65282821655273, 11.9989995956421, , , , -0.38284894824028, , , , , , , , , , , 8.28764724731445, 0.191579192876816, 16.0170707702637
-InChI%3D1S%2FC4H11N%2Fc1-3-4%282%295%2Fh4H%2C3%2C5H2%2C1-2H3, , , , , 5.0734691619873, 11.9936571121216, , , , -0.361151725053787, , , , , , , , , , , 6.85258102416992, 0.0347045995295048, 14.0090980529785
-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, , , , , 4.29382276535034, 11.9962329864502, , , , -0.369982093572617, , , , , , , , , , , 11.3537540435791, 0.371293902397156, 15.9987077713013
-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, , , , , 4.93612432479858, 11.8900003433228, , , , -0.364439159631729, , , , , , , , , , , 9.84442234039307, 0.265844136476517, 15.9969310760498
-InChI%3D1S%2FC6H14S2%2Fc1-5%282%297-8-6%283%294%2Fh5-6H%2C1-4H3, , , , , 7.06327199935913, 11.8900003433228, , , , -0.135899320244789, , , , , , , , , , , 10.7540102005005, 0.0928706154227257, 31.973072052002
-InChI%3D1S%2FC9H16O2%2Fc1-3-5-6-7-8-11-9%2810%294-2%2Fh4H%2C2-3%2C5-8H2%2C1H3, , , , , 4.11067056655884, 11.789999961853, , , , -0.312303423881531, , , , , , , , , , , 7.12228536605835, 0.285381853580475, 15.9959192276001
-InChI%3D1S%2FC7H3Br2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H, , , , , 4.54441928863525, 11.8500003814697, , , , -0.382268011569977, , , , , , , , , , , 10.7301340103149, 0.210724666714668, 78.9193344116211
-InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3, , , , , 5.90784358978271, 11.8500003814697, , , , -0.300410836935043, , , , , , , , , , , 8.6097469329834, 0.170313075184822, 14.0030784606934
-InChI%3D1S%2FC5H5BrN2%2Fc6-4-1-2-5%287%298-3-4%2Fh1-3H%2C%28H2%2C7%2C8%29, , , , , 5.32768487930298, 11.8999996185303, , , , -0.293162286281586, , , , , , , , , , , 9.7328405380249, 0.140058040618896, 78.9183349609375
-InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, , , , , 5.6944317817688, 11.8500003814697, , , , -0.381290912628174, , , , , , , , , , , 9.41365432739258, 0.221149474382401, 34.9708518981934
-InChI%3D1S%2FC7H8FN%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C9H%2C1H3, , , , , 3.94660615921021, 11.8500003814697, , , , -0.311799257993698, , , , , , , , , , , 7.97587156295776, 0.169963404536247, 18.9984035491943
-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, , , , , 5.31878805160522, 11.8500003814697, , , , -0.322603613138199, , , , , , , , , , , 12.2949371337891, 0.219354003667831, 34.9688529968262
-InChI%3D1S%2FC9H21N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh4-9H2%2C1-3H3, , , , , 5.31243562698364, 11.8900003433228, , , , -0.302894741296768, , , , , , , , , , , 8.85288047790527, 0.057039849460125, 14.0030784606934
-InChI%3D1S%2FC5H8O2%2Fc1-4%286%293-5%282%297%2Fh3H2%2C1-2H3, , , , , 3.99731254577637, 11.8900003433228, , , , -0.299997180700302, , , , , , , , , , , 6.70650577545166, 0.196793541312218, 15.9959173202515
-InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3, , , , , 6.0753436088562, 11.8500003814697, , , , -0.170405223965645, , , , , , , , , , , 8.77602672576904, 0.1299958974123, 12.1500968933105
-InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh5H%2C4H2%2C1H3, , , , , 3.6579601764679, 11.9964618682861, , , , -0.406782597303391, , , , , , , , , , , 5.26001596450806, 0.127963021397591, 15.9979419708252
-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, , , , , 4.75106000900269, 11.8500003814697, , , , -0.385725408792496, , , , , , , , , , , 8.830810546875, 0.129635974764824, 15.9949188232422
-InChI%3D1S%2FC8H18S%2Fc1-3-5-7-9-8-6-4-2%2Fh3-8H2%2C1-2H3, , , , , 5.32749080657959, 11.8900003433228, , , , -0.170406445860863, , , , , , , , , , , 8.99904441833496, 0.0499920696020126, 31.9720706939697
-InChI%3D1S%2FC4H6O%2Fc1-3-4%282%295%2Fh1%2C4-5H%2C2H3, , , , , 4.11527585983276, 11.6899995803833, , , , -0.406716465950012, , , , , , , , , , , 5.96825408935547, 0.214733690023422, 15.9949159622192
-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, , , , , 4.45033168792725, 11.8900003433228, , , , -0.280253201723099, , , , , , , , , , , 9.6676139831543, 0.205221638083458, 15.9949178695679
-InChI%3D1S%2FC6H15N%2Fc1-2-3-4-5-6-7%2Fh2-7H2%2C1H3, , , , , 4.71817922592163, 11.9935512542725, , , , -0.363881945610046, , , , , , , , , , , 6.97139120101929, 0.0270948354154825, 14.0090990066528
-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, , , , , -4.14888472732855e-06, 11.8500003814697, , , , -0.412000238895416, , , , , , , , , , , 9.74395084381104, 0.242969110608101, 22.9897708892822
-InChI%3D1S%2FC5H4ClNO%2Fc6-4-2-1-3-5%288%297-4%2Fh1-3H%2C%28H%2C7%2C8%29, , , , , 4.67193412780762, 11.9885931015015, , , , -0.369542807340622, , , , , , , , , , , 7.9835057258606, 0.236995249986649, 34.9688529968262
-InChI%3D1S%2FC7H10O2%2Fc1-4-5-9-7%288%296%282%293%2Fh4H%2C1-2%2C5H2%2C3H3, , , , , 4.38336944580078, 11.8900003433228, , , , -0.307951807975769, , , , , , , , , , , 7.40301561355591, 0.288610875606537, 15.9959182739258
-InChI%3D1S%2FC13H10O3%2Fc14-12-9-5-4-8-11%2812%2913%2815%2916-10-6-2-1-3-7-10%2Fh1-9%2C14H, , , , , 4.89019441604614, 11.9962062835693, , , , -0.407971262931824, , , , , , , , , , , 8.92143154144287, 0.272880017757416, 15.998706817627
-InChI%3D1S%2FC12H23N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-11H2%2C1H3, , , , , 3.75590395927429, 11.9529848098755, , , , -0.436739772558212, , , , , , , , , , , 7.53557586669922, 0.289353936910629, 14.0499601364136
-InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3, , , , , 4.66280746459961, 11.8500003814697, , , , -0.385779947042465, , , , , , , , , , , 7.44366121292114, 0.212441891431808, 15.9959182739258
-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, , , , , 4.19155120849609, 11.8900003433228, , , , -0.31689265370369, , , , , , , , , , , 7.57010507583618, 0.262561798095703, 15.9979286193848
-InChI%3D1S%2FC7H9N%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6%2C8H2, , , , , 5.08658981323242, 11.8500003814697, , , , -0.329438149929047, , , , , , , , , , , 8.0701904296875, 0.135896176099777, 14.003077507019
-InChI%3D1S%2FC2H3Cl2NO%2Fc3-1%284%292%285%296%2Fh1H%2C%28H2%2C5%2C6%29, , , , , 4.86962556838989, 11.9966878890991, , , , -0.36772221326828, , , , , , , , , , , 8.58950233459473, 0.221948966383934, 34.9698524475098
-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, , , , , 5.62172222137451, 11.8900003433228, , , , -0.385509252548218, , , , , , , , , , , 9.06598377227783, 0.0808378756046295, 15.9949188232422
-InChI%3D1S%2FC9H17N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-8H2%2C1H3, , , , , 3.7514328956604, 11.9530162811279, , , , -0.436738669872284, , , , , , , , , , , 7.35010242462158, 0.289336770772934, 14.0499582290649
-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%2B%2C7-3%2B, , , , , 5.14689016342163, 11.9943227767944, , , , -0.342825949192047, , , , , , , , , , , 9.28170108795166, 0.226503059267998, 15.9969291687012
-InChI%3D1S%2FC6H10Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh5-6H%2C1-4H2%2Ft5-%2C6%3F%2Fm1%2Fs1, , , , , 6.44317722320557, 11.9985628128052, , , , -0.20925572514534, , , , , , , , , , , 9.49198246002197, 0.123499035835266, 34.9701538085938
-InChI%3D1S%2FC7H16O%2Fc1-5%282%297%288%296%283%294%2Fh5-8H%2C1-4H3, , , , , 5.21049308776855, 11.8900003433228, , , , -0.391967982053757, , , , , , , , , , , 8.11251163482666, 0.0716043710708618, 15.9949159622192
-InChI%3D1S%2FC12H12N2%2Fc1%2811-3-7-13-8-4-11%292-12-5-9-14-10-6-12%2Fh3-10H%2C1-2H2, , , , , 6.04848432540894, 11.8500003814697, , , , -0.231516033411026, , , , , , , , , , , 8.84068393707275, 0.137736469507217, 14.0040864944458
-InChI%3D1S%2FC6H12%2Fc1-2-4-6-5-3-1%2Fh1-6H2, , , , , 6.4537501335144, 11.8999996185303, , , , -0.152797445654869, , , , , , , , , , , 6.65383243560791, 0.0472849607467651, 12.1000823974609
-InChI%3D1S%2FC8H18S%2Fc1-7%282%2C3%299-8%284%2C5%296%2Fh1-6H3, , , , , 7.41219234466553, 11.8900003433228, , , , -0.149546504020691, , , , , , , , , , , 10.9665756225586, 0.0927481204271317, 31.9720706939697
-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, , , , , 5.45230579376221, 11.8999996185303, , , , -0.392198026180267, , , , , , , , , , , 9.46119403839111, 0.0678824782371521, 15.9949169158936
-InChI%3D1S%2FC8H8O3%2Fc1-11-8-4-6%285-9%292-3-7%288%2910%2Fh2-5%2C10H%2C1H3, , , , , 3.87849545478821, 11.9962921142578, , , , -0.405563205480576, , , , , , , , , , , 7.98352813720703, 0.154961228370667, 15.9987030029297
-InChI%3D1S%2FC7H5F4N%2Fc8-4-1-2-6%2812%295%283-4%297%289%2C10%2911%2Fh1-3H%2C12H2, , , , , 3.55239701271057, 11.9974966049194, , , , -0.322407871484756, , , , , , , , , , , 7.88686323165894, 0.418439030647278, 19.0020351409912
-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, , , , , 4.43002700805664, 11.8900003433228, , , , -0.294703304767609, , , , , , , , , , , 11.0623216629028, 0.152430862188339, 15.9949178695679
-InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298, , , , , 8.03598403930664, 11.998706817627, , , , -0.136371359229088, , , , , , , , , , , 12.6744661331177, 0.357137441635132, 34.9739570617676
-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, , , , , 5.12837696075439, 11.8500003814697, , , , -0.322758227586746, , , , , , , , , , , 8.91192436218262, 0.129155471920967, 14.0030822753906
-InChI%3D1S%2FC6H3Cl3%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H, , , , , 6.25292825698853, 11.8500003814697, , , , -0.163492932915688, , , , , , , , , , , 9.66638469696045, 0.219476193189621, 34.9708518981934
-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, , , , , 5.84320592880249, 11.8500003814697, , , , -0.382268279790878, , , , , , , , , , , 12.4761953353882, 0.155130878090858, 34.9718551635742
-InChI%3D1S%2FC7H5F4N%2Fc8-6-2-1-4%2812%293-5%286%297%289%2C10%2911%2Fh1-3H%2C12H2, , , , , 3.47840285301208, 11.9974966049194, , , , -0.322902083396912, , , , , , , , , , , 7.60235261917114, 0.419719904661179, 19.0020351409912
-InChI%3D1S%2FC7H4F3NO3%2Fc8-7%289%2C10%295-3-4%2812%291-2-6%285%2911%2813%2914%2Fh1-3%2C12H, , , , , 3.58918738365173, 11.9974966049194, , , , -0.385704457759857, , , , , , , , , , , 8.03352165222168, 0.419191390275955, 19.0012550354004
-InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H, , , , , 5.71635961532593, 11.8500003814697, , , , -0.230555355548859, , , , , , , , , , , 6.16526651382446, 0.168778285384178, 14.0030765533447
-InChI%3D1S%2FC6H5NO3%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4%2C8H, , , , , 3.54940629005432, 11.9963550567627, , , , -0.40559595823288, , , , , , , , , , , 7.58163452148438, 0.188699692487717, 15.9987030029297
-InChI%3D1S%2FC10H22S2%2Fc1-3-7-11-9-5-6-10-12-8-4-2%2Fh3-10H2%2C1-2H3, , , , , 5.56950426101685, 11.8900003433228, , , , -0.166104257106781, , , , , , , , , , , 9.43381118774414, 0.0548526607453823, 31.973072052002
-InChI%3D1S%2FC5H8N4%2Fc1-3-4%282%298-9-5%286%297-3%2Fh1-2H3%2C%28H2%2C6%2C7%2C9%29, , , , , 5.24327611923218, 11.9945907592773, , , , -0.289813041687012, , , , , , , , , , , 8.44486331939697, 0.159126102924347, 14.008918762207
-InChI%3D1S%2FC7H8N2O%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H2%2C9%2C10%29, , , , , 4.98258543014526, 11.9935121536255, , , , -0.352196127176285, , , , , , , , , , , 8.85388088226318, 0.141923546791077, 15.9949178695679
-InChI%3D1S%2FC12H10O2%2Fc13-10-6-8-12%289-7-10%2914-11-4-2-1-3-5-11%2Fh1-9%2C13H, , , , , 4.72221946716309, 11.8500003814697, , , , -0.385748952627182, , , , , , , , , , , 8.35084819793701, 0.212347164750099, 15.9959211349487
-InChI%3D1S%2FC7H8%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3, , , , , 5.76818132400513, 11.8500003814697, , , , -0.173357054591179, , , , , , , , , , , 7.53483390808105, 0.126830875873566, 12.1500682830811
-InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%297%282%295-6%2Fh3-5%2C9H%2C1-2H3, , , , , 4.98715209960938, 11.8500003814697, , , , -0.385408461093903, , , , , , , , , , , 8.05052280426025, 0.129504442214966, 15.9949169158936
-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, , , , , 3.9171769618988, 11.9961957931519, , , , -0.399070531129837, , , , , , , , , , , 8.67718315124512, 0.137601867318153, 15.998706817627
-InChI%3D1S%2FC8H7N%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-5H%2C1H3, , , , , 4.29777812957764, 11.8900003433228, , , , -0.261926412582397, , , , , , , , , , , 8.30914211273193, 0.124714642763138, 14.0030784606934
-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, , , , , 4.77099704742432, 11.8900003433228, , , , -0.316136717796326, , , , , , , , , , , 9.04839897155762, 0.270542800426483, 15.9979305267334
-InChI%3D1S%2FC6H12O%2Fc7-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2, , , , , 4.66637229919434, 11.8999996185303, , , , -0.392487913370132, , , , , , , , , , , 7.06103181838989, 0.121879480779171, 15.9949159622192
-InChI%3D1S%2FC6H12O3%2Fc1-3-8-4-5-9-6%282%297%2Fh3-5H2%2C1-2H3, , , , , 3.65290951728821, 11.8900003433228, , , , -0.378589272499084, , , , , , , , , , , 6.07047367095947, 0.301665753126144, 15.996919631958
-InChI%3D1S%2FC3H9N%2Fc1-2-3-4%2Fh2-4H2%2C1H3, , , , , 4.44107437133789, 11.9937324523926, , , , -0.36390745639801, , , , , , , , , , , 5.67201805114746, 0.0268030297011137, 14.0090980529785
-InChI%3D1S%2FC8H9NO2%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3%2C%28H2%2C9%2C10%29, , , , , 4.9187593460083, 11.9962921142578, , , , -0.373358607292175, , , , , , , , , , , 8.85850620269775, 0.166599303483963, 15.9982604980469
-InChI%3D1S%2FC5H10O%2Fc1-5%282%293-4-6%2Fh4-5H%2C3H2%2C1-2H3, , , , , 3.47449779510498, 11.8900003433228, , , , -0.302846014499664, , , , , , , , , , , 7.09523820877075, 0.119987949728966, 15.9949159622192
-InChI%3D1S%2FC8H6Cl2O2%2Fc1-12-8%2811%296-4-5%289%292-3-7%286%2910%2Fh2-4H%2C1H3, , , , , 4.72344064712524, 11.9985437393188, , , , -0.318471372127533, , , , , , , , , , , 9.67850971221924, 0.271381348371506, 34.9701538085938
-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, , , , , -1.52831478317239e-06, 11.8500003814697, , , , -0.247221350669861, , , , , , , , , , , 7.82828330993652, 0.363328129053116, 22.9897708892822
-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, , , , , 4.33389711380005, 11.8500003814697, , , , -0.348077178001404, , , , , , , , , , , 11.9949417114258, 0.371299713850021, 15.9969263076782
-InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%2811%295%289%296%2810%294%282%298%2Fh1%2C11H, , , , , 5.69443273544312, 11.9985628128052, , , , -0.383354634046555, , , , , , , , , , , 10.7653856277466, 0.193374395370483, 34.9720077514648
-InChI%3D1S%2FC8H7NO4%2Fc1-13-8%2810%296-2-4-7%285-3-6%299%2811%2912%2Fh2-5H%2C1H3, , , , , 3.531898021698, 11.9989995956421, , , , -0.318528324365616, , , , , , , , , , , 8.34938335418701, 0.26918751001358, 16.0169982910156
-InChI%3D1S%2FC9H14O2%2Fc1-2-9%2810%2911-8-6-4-3-5-7-8%2Fh2%2C8H%2C1%2C3-7H2, , , , , 4.29883909225464, 11.8999996185303, , , , -0.308971852064133, , , , , , , , , , , 8.25890731811523, 0.285639554262161, 15.9959192276001
-InChI%3D1S%2FC7H6O2%2Fc8-5-6-3-1-2-4-7%286%299%2Fh1-5%2C9H, , , , , 3.85390305519104, 11.996319770813, , , , -0.40844789147377, , , , , , , , , , , 7.88513231277466, 0.135438695549965, 15.9982595443726
-InChI%3D1S%2FC6H14S2%2Fc1-3-5-7-8-6-4-2%2Fh3-6H2%2C1-2H3, , , , , 5.75672149658203, 11.8900003433228, , , , -0.165716707706451, , , , , , , , , , , 10.2824459075928, 0.0552015490829945, 31.973072052002
-InChI%3D1S%2FC9H21O2PS3%2Fc1-6-10-12%2813%2C11-7-2%2915-8-14-9%283%2C4%295%2Fh6-8H2%2C1-5H3, , , , , 5.30927228927612, 11.8900003433228, , , , -0.322603613138199, , , , , , , , , , , 12.2781000137329, 0.219314754009247, 31.9740753173828
-InChI%3D1S%2F2C4H7Cl3O.H2O%2Fc2%2A1-3%282%2C8%294%285%2C6%297%3B%2Fh2%2A8H%2C1-2H3%3B1H2, , , , , 1.43799734115601, 11.9985437393188, , , , -0.411101400852203, , , , , , , , , , , 11.2336578369141, 0.322496145963669, 34.9739570617676
-InChI%3D1S%2FC4H6O2%2Fc5-3-1-2-4-6%2Fh5-6H%2C3-4H2, , , , , 3.68745589256287, 11.9964618682861, , , , -0.406801015138626, , , , , , , , , , , 5.37864208221436, 0.128105983138084, 15.9982576370239
-InChI%3D1S%2FC3H6Br2%2Fc4-2-1-3-5%2Fh1-3H2, , , , , 6.47030687332153, 11.9988794326782, , , , -0.195917189121246, , , , , , , , , , , 8.39598751068115, 0.0864428654313087, 78.91943359375
-InChI%3D1S%2FC6H12O%2Fc1-3-5-6%287%294-2%2Fh4%2C6-7H%2C2-3%2C5H2%2C1H3, , , , , 4.82330513000488, 11.789999961853, , , , -0.388447284698486, , , , , , , , , , , 7.33813190460205, 0.129093766212463, 15.9949159622192
-InChI%3D1S%2FC6H4N2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H, , , , , 4.05721569061279, 11.9885540008545, , , , -0.262618333101273, , , , , , , , , , , 7.37091970443726, 0.220849812030792, 14.014349937439
-InChI%3D1S%2FC9H19NO%2Fc1-4-10%285-2%298-6-7-9%283%2911%2Fh4-8H2%2C1-3H3, , , , , 4.14407348632812, 11.8900003433228, , , , -0.30386808514595, , , , , , , , , , , 8.4800386428833, 0.191160872578621, 15.9949178695679
-InChI%3D1S%2FC6H14S%2Fc1-3-5-7-6-4-2%2Fh3-6H2%2C1-2H3, , , , , 5.5175576210022, 11.8900003433228, , , , -0.166103795170784, , , , , , , , , , , 8.60607528686523, 0.0547177717089653, 31.9720706939697
-InChI%3D1S%2FC9H18O2%2Fc1-2-3-4-5-6-7-8-9%2810%2911%2Fh2-8H2%2C1H3%2C%28H%2C10%2C11%29, , , , , 3.71683216094971, 11.9962692260742, , , , -0.351374924182892, , , , , , , , , , , 7.37721395492554, 0.278717786073685, 15.9982604980469
-InChI%3D1S%2FC7H6Cl2O2%2Fc1-11-7-3-5%289%294%288%292-6%287%2910%2Fh2-3%2C10H%2C1H3, , , , , 4.90277481079102, 11.996319770813, , , , -0.405166953802109, , , , , , , , , , , 9.51101779937744, 0.157301440834999, 34.9698524475098
-InChI%3D1S%2FC5H8O%2Fc1-3-4-5%282%296%2Fh1%2C5-6H%2C4H2%2C2H3, , , , , 4.21992111206055, 11.6899995803833, , , , -0.421660482883453, , , , , , , , , , , 6.41164827346802, 0.198585316538811, 15.9949159622192
-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, , , , , 2.97770524024963, 11.8500003814697, , , , -0.361041635274887, , , , , , , , , , , 10.9233417510986, 0.345995187759399, 18.9994144439697
-InChI%3D1S%2FC13H26O%2Fc1-3-4-5-6-7-8-9-10-11-12-13%282%2914%2Fh3-12H2%2C1-2H3, , , , , 4.11463069915771, 11.8900003433228, , , , -0.299525320529938, , , , , , , , , , , 7.57368135452271, 0.191146329045296, 15.9949178695679
-InChI%3D1S%2FC8H12N2%2Fc9-7-5-3-1-2-4-6-8-10%2Fh1-6H2, , , , , 3.74777150154114, 11.9530277252197, , , , -0.436738908290863, , , , , , , , , , , 7.23877906799316, 0.289342850446701, 14.0499849319458
-InChI%3D1S%2FC10H10O%2Fc1-3-10%282%2C11%299-7-5-4-6-8-9%2Fh1%2C4-8%2C11H%2C2H3, , , , , 4.98829174041748, 11.8500003814697, , , , -0.376790046691895, , , , , , , , , , , 9.19419384002686, 0.153858959674835, 15.9949169158936
-InChI%3D1S%2FC8H18O%2Fc1-2-3-4-5-6-7-8-9%2Fh9H%2C2-8H2%2C1H3, , , , , 3.93580436706543, 11.9962921142578, , , , -0.421719342470169, , , , , , , , , , , 7.22929811477661, 0.0697074830532074, 15.9979429244995
-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, , , , , 3.47019100189209, 11.8900003433228, , , , -0.379668653011322, , , , , , , , , , , 6.55199337005615, 0.454174518585205, 30.973762512207
-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, , , , , 5.78999280929565, 11.8500003814697, , , , -0.344098448753357, , , , , , , , , , , 9.56669998168945, 0.163071349263191, 126.904472351074
-InChI%3D1S%2FC12H16%2Fc1-5-10-6-8-11%289-7-10%2912%282%2C3%294%2Fh5-9H%2C1H2%2C2-4H3, , , , , 5.57733058929443, 11.8900003433228, , , , -0.15617498755455, , , , , , , , , , , 9.6733341217041, 0.0658925548195839, 12.1101980209351
-InChI%3D1S%2FC15H24O%2Fc1-10-8-11%2814%282%2C3%294%2913%2816%2912%289-10%2915%285%2C6%297%2Fh8-9%2C16H%2C1-7H3, , , , , 6.2446436882019, 11.8900003433228, , , , -0.385067731142044, , , , , , , , , , , 10.7237062454224, 0.109232537448406, 15.9949188232422
-InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H, , , , , 4.70625352859497, 11.9963550567627, , , , -0.404885858297348, , , , , , , , , , , 6.95473098754883, 0.155170992016792, 15.9982585906982
-InChI%3D1S%2FC9H21N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-10H2%2C1H3, , , , , 4.75276327133179, 11.9934511184692, , , , -0.363886028528214, , , , , , , , , , , 7.39587211608887, 0.0271630398929119, 14.0091009140015
-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, , , , , 4.74211311340332, 11.8500003814697, , , , -0.36190527677536, , , , , , , , , , , 9.37644958496094, 0.27886700630188, 15.9969253540039
-InChI%3D1S%2FC8H8O%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-6H%2C1H3, , , , , 3.95227861404419, 11.8900003433228, , , , -0.30217581987381, , , , , , , , , , , 8.27864551544189, 0.127791121602058, 15.9949169158936
-InChI%3D1S%2FC8H18S2%2Fc1-7%282%2C3%299-10-8%284%2C5%296%2Fh1-6H3, , , , , 7.7711353302002, 11.8900003433228, , , , -0.131098002195358, , , , , , , , , , , 11.697413444519, 0.099470466375351, 31.973072052002
-InChI%3D1S%2FC11H12O2%2Fc1-9%282%2911%2812%2913-8-10-6-4-3-5-7-10%2Fh3-7H%2C1%2C8H2%2C2H3, , , , , 4.52101802825928, 11.8900003433228, , , , -0.311493188142776, , , , , , , , , , , 8.42772769927979, 0.288346618413925, 15.9959201812744
-InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, , , , , 4.68753004074097, 11.9962921142578, , , , -0.385752290487289, , , , , , , , , , , 8.32169437408447, 0.156468257308006, 15.9982604980469
-InChI%3D1S%2FC5H4BrNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H, , , , , 5.28905868530273, 11.9988565444946, , , , -0.381891965866089, , , , , , , , , , , 9.26346015930176, 0.225878477096558, 78.9185180664062
-InChI%3D1S%2FC8H14%2Fc1-7%282%295-6-8%283%294%2Fh5-6H%2C1-4H3, , , , , 5.97317028045654, 11.8900003433228, , , , -0.170885667204857, , , , , , , , , , , 7.86130523681641, 0.051541343331337, 12.1101140975952
-InChI%3D1S%2FC6H4ClNO2%2Fc7-5-2-1-3-6%284-5%298%289%2910%2Fh1-4H, , , , , 3.59323811531067, 11.9989995956421, , , , -0.275389701128006, , , , , , , , , , , 8.47513198852539, 0.17543651163578, 34.9688529968262
-InChI%3D1S%2FC7H8O%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5%2C8H%2C1H3, , , , , 4.90359830856323, 11.996319770813, , , , -0.408968299627304, , , , , , , , , , , 7.73613262176514, 0.128034308552742, 15.9979429244995
-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, , , , , 3.56842041015625, 11.8500003814697, , , , -0.328662365674973, , , , , , , , , , , 11.3238801956177, 0.178895801305771, 31.9720726013184
-InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3, , , , , 4.37945222854614, 11.9962921142578, , , , -0.421305805444717, , , , , , , , , , , 8.34881782531738, 0.0723837167024612, 15.9979429244995
-InChI%3D1S%2FC10H14O%2Fc1-10%282%2C3%298-4-6-9%2811%297-5-8%2Fh4-7%2C11H%2C1-3H3, , , , , 4.79066801071167, 11.8900003433228, , , , -0.385711342096329, , , , , , , , , , , 9.57434463500977, 0.101512178778648, 15.9949169158936
-InChI%3D1S%2FC6HCl3N2O4%2Fc7-2-1-3%288%296%2811%2814%2915%294%289%295%282%2910%2812%2913%2Fh1H, , , , , 4.10965633392334, 11.9985628128052, , , , -0.191027462482452, , , , , , , , , , , 10.2839918136597, 0.212928161025047, 34.9710578918457
-InChI%3D1S%2FC7H5ClO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H, , , , , 3.9761528968811, 11.996319770813, , , , -0.408440738916397, , , , , , , , , , , 8.60982227325439, 0.135646760463715, 34.9688529968262
-InChI%3D1S%2FC8H6Br4%2Fc9-7%2810%295-3-1-2-4-6%285%298%2811%2912%2Fh1-4%2C7-8H, , , , , 7.88131237030029, 11.9988441467285, , , , -0.160116821527481, , , , , , , , , , , 13.0899963378906, 0.17533840239048, 78.92138671875
-InChI%3D1S%2FC8H18O%2Fc1-3-5-7-9-8-6-4-2%2Fh3-8H2%2C1-2H3, , , , , 5.00828742980957, 11.8900003433228, , , , -0.380642294883728, , , , , , , , , , , 6.5815052986145, 0.0518502928316593, 15.9949169158936
-InChI%3D1S%2FC10H14O%2Fc11-10-8-2-6-1-7%284-8%295-9%2810%293-6%2Fh6-9H%2C1-5H2, , , , , 4.95555973052979, 11.8999996185303, , , , -0.298583000898361, , , , , , , , , , , 8.94055557250977, 0.138874679803848, 15.9949169158936
-InChI%3D1S%2FC7H7NO2.ClH%2Fc9-7%2810%296-8-4-2-1-3-5-8%3B%2Fh1-5H%2C6H2%3B1H, , , , , 2.72999596595764, 11.9885187149048, , , , -0.393361181020737, , , , , , , , , , , 8.00517654418945, 0.368083477020264, 34.9688529968262
-InChI%3D1S%2FC8H5Cl3O%2Fc1-4%2812%295-2-3-6%289%298%2811%297%285%2910%2Fh2-3H%2C1H3, , , , , 4.86371469497681, 11.9985437393188, , , , -0.298756808042526, , , , , , , , , , , 10.6934432983398, 0.177648857235909, 34.9710578918457
-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, , , , , 5.30781507492065, 11.9962062835693, , , , -0.384951025247574, , , , , , , , , , , 9.3331823348999, 0.169962510466576, 15.9982624053955
-InChI%3D1S%2FC12H8ClNO3%2Fc13-9-5-7-10%288-6-9%2917-12-4-2-1-3-11%2812%2914%2815%2916%2Fh1-8H, , , , , 3.73596048355103, 11.9989995956421, , , , -0.358113497495651, , , , , , , , , , , 8.9046106338501, 0.189235702157021, 34.9688529968262
-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, , , , , 3.92926621437073, 11.8500003814697, , , , -0.360969960689545, , , , , , , , , , , 9.67427921295166, 0.181104227900505, 15.9959230422974
-InChI%3D1S%2FC8H10O%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6%2C9H%2C2H2%2C1H3, , , , , 4.712073802948, 11.8500003814697, , , , -0.385705530643463, , , , , , , , , , , 8.21319484710693, 0.129404470324516, 15.9949169158936
-InChI%3D1S%2FC7H11ClO4%2Fc1-3-11-6%289%295%288%297%2810%2912-4-2%2Fh5H%2C3-4H2%2C1-2H3, , , , , 4.58389043807983, 11.8900003433228, , , , -0.314936846494675, , , , , , , , , , , 8.81862926483154, 0.2968829870224, 34.9688529968262
-InChI%3D1S%2FC2H8N2%2Fc3-1-2-4%2Fh1-4H2, , , , , 4.39873313903809, 11.9938325881958, , , , -0.361754268407822, , , , , , , , , , , 5.51555299758911, 0.0384393036365509, 14.0092763900757
-InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh2-3H%2C1H2, , , , , 3.21398043632507, 11.9888439178467, , , , -0.382195264101028, , , , , , , , , , , 5.30750370025635, 0.226088061928749, 16.0059242248535
-InChI%3D1S%2FC7H13N3O3S%2Fc1-8-7%2812%2913-9-5%2814-4%296%2811%2910%282%293%2Fh1-4H3%2C%28H%2C8%2C12%29, , , , , 4.60395860671997, 11.9935111999512, , , , -0.324189305305481, , , , , , , , , , , 10.4972229003906, 0.303630113601685, 31.9720726013184
-InChI%3D1S%2FC13H10ClNO%2Fc14-10-7-5-9%286-8-10%2913%2816%2911-3-1-2-4-12%2811%2915%2Fh1-8H%2C15H2, , , , , 5.58255386352539, 11.9933710098267, , , , -0.352238893508911, , , , , , , , , , , 9.84610652923584, 0.149877071380615, 34.9688529968262
-InChI%3D1S%2FC6H7N%2Fc1-6-3-2-4-7-5-6%2Fh2-5H%2C1H3, , , , , 5.6848030090332, 11.8500003814697, , , , -0.230266541242599, , , , , , , , , , , 7.36147594451904, 0.17524491250515, 14.003077507019
-InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H, , , , , 3.49059367179871, 11.8500003814697, , , , -0.132697328925133, , , , , , , , , , , 7.38454151153564, 0.248806267976761, 15.9959182739258
-InChI%3D1S%2FC2H5ClO%2Fc3-1-2-4%2Fh4H%2C1-2H2, , , , , 3.81324791908264, 11.998706817627, , , , -0.39399915933609, , , , , , , , , , , 6.0698094367981, 0.114576399326324, 34.9693794250488
-InChI%3D1S%2FC3H6Br2O%2Fc4-1-3%285%292-6%2Fh3%2C6H%2C1-2H2, , , , , 4.8059983253479, 11.9988794326782, , , , -0.394006848335266, , , , , , , , , , , 10.0317525863647, 0.102614395320415, 78.91943359375
-InChI%3D1S%2FC6H3I3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, , , , , 7.63337278366089, 11.8500003814697, , , , -0.382923245429993, , , , , , , , , , , 14.5841436386108, 0.174453631043434, 126.906471252441
-InChI%3D1S%2FC6H4Cl2O2%2Fc7-3-1-5%289%296%2810%292-4%283%298%2Fh1-2%2C9-10H, , , , , 5.07373285293579, 11.9963550567627, , , , -0.405194967985153, , , , , , , , , , , 9.35482025146484, 0.157012820243835, 34.9698524475098
-InChI%3D1S%2FC9H19NO%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh9H%2C3-8H2%2C1-2H3, , , , , 3.9409019947052, 11.8900003433228, , , , -0.284615844488144, , , , , , , , , , , 8.37313270568848, 0.189438387751579, 15.9949178695679
-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, , , , , 6.2119197845459, 11.9985179901123, , , , -0.382025152444839, , , , , , , , , , , 13.8308811187744, 0.3240627348423, 34.9729804992676
-InChI%3D1S%2FC7H17N%2Fc1-2-3-4-5-6-7-8%2Fh2-8H2%2C1H3, , , , , 4.73794317245483, 11.9935121536255, , , , -0.363883316516876, , , , , , , , , , , 7.14955997467041, 0.0271169804036617, 14.0090999603271
-InChI%3D1S%2FC9H10O3%2Fc1-6%2810%298-4-3-7%2812-2%295-9%288%2911%2Fh3-5%2C11H%2C1-2H3, , , , , 4.52899837493896, 11.8500003814697, , , , -0.385173261165619, , , , , , , , , , , 8.66328907012939, 0.22448755800724, 15.9969215393066
-InChI%3D1S%2FC5H10O%2Fc1-2-3-4-5-6%2Fh5H%2C2-4H2%2C1H3, , , , , 3.36823153495789, 11.9887399673462, , , , -0.389461129903793, , , , , , , , , , , 6.45900869369507, 0.206328898668289, 16.0059242248535
-InChI%3D1S%2FC12H9NO%2Fc14-12%2810-4-2-1-3-5-10%2911-6-8-13-9-7-11%2Fh1-9H, , , , , 5.3643364906311, 11.8500003814697, , , , -0.297855943441391, , , , , , , , , , , 9.21915817260742, 0.177174434065819, 15.9949178695679
-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, , , , , 4.91467380523682, 11.8999996185303, , , , -0.33116602897644, , , , , , , , , , , 12.8628530502319, 0.265201508998871, 15.995924949646
-InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2%2Fb2-1%2B, , , , , 5.25948715209961, 11.9986352920532, , , , -0.1925930082798, , , , , , , , , , , 7.11486625671387, 0.087548516690731, 34.9701538085938
-InChI%3D1S%2FC6H2Cl4O2%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh11-12H, , , , , 5.81106233596802, 11.9985628128052, , , , -0.381449788808823, , , , , , , , , , , 10.8218250274658, 0.198467001318932, 34.9720077514648
-InChI%3D1S%2FC7H15Br%2Fc1-2-3-4-5-6-7-8%2Fh2-7H2%2C1H3, , , , , 5.13634014129639, 11.9988470077515, , , , -0.196194723248482, , , , , , , , , , , 8.20734214782715, 0.0854305177927017, 78.9185180664062
-InChI%3D1S%2FC3H9NO%2Fc1-5-3-2-4%2Fh2-4H2%2C1H3, , , , , 4.16186857223511, 11.9937324523926, , , , -0.382597327232361, , , , , , , , , , , 5.52023410797119, 0.0591981932520866, 15.9949159622192
-InChI%3D1S%2FC6H4Cl2%2Fc7-5-2-1-3-6%288%294-5%2Fh1-4H, , , , , 6.12968730926514, 11.8500003814697, , , , -0.163962453603745, , , , , , , , , , , 8.73076152801514, 0.218567222356796, 34.9698524475098
-InChI%3D1S%2FC10H23N%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh2-11H2%2C1H3, , , , , 4.75523328781128, 11.9934272766113, , , , -0.363887339830399, , , , , , , , , , , 7.47441339492798, 0.0271870028227568, 14.0091018676758
-InChI%3D1S%2FC8H16O%2Fc1-7%282%295-6-8%283%2C4%299-7%2Fh5-6H2%2C1-4H3, , , , , 6.20762491226196, 11.9967775344849, , , , -0.390878975391388, , , , , , , , , , , 8.55762767791748, 0.0862080976366997, 15.9974184036255
-InChI%3D1S%2FC6H6N2O2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H%2C7H2, , , , , 3.50417947769165, 11.9989995956421, , , , -0.32289645075798, , , , , , , , , , , 7.48272562026978, 0.175351724028587, 16.0168724060059
-InChI%3D1S%2FC5H8O3%2Fc1-2-5%287%298-4-3-6%2Fh2%2C6H%2C1%2C3-4H2, , , , , 3.74761772155762, 11.789999961853, , , , -0.393383473157883, , , , , , , , , , , 6.14347553253174, 0.285448640584946, 15.9969186782837
-InChI%3D1S%2FC7H6O3%2Fc8-4-5-1-2-6%289%293-7%285%2910%2Fh1-4%2C9-10H, , , , , 3.86860513687134, 11.996319770813, , , , -0.408253580331802, , , , , , , , , , , 7.94394588470459, 0.138029187917709, 15.9987030029297
-InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3, , , , , 5.44758892059326, 11.8500003814697, , , , -0.171874538064003, , , , , , , , , , , 8.15291309356689, 0.128409087657928, 12.1500825881958
-InChI%3D1S%2FC8H10%2Fc1-7-3-5-8%282%296-4-7%2Fh3-6H%2C1-2H3, , , , , 5.84578132629395, 11.8500003814697, , , , -0.173220038414001, , , , , , , , , , , 7.70177841186523, 0.126974195241928, 12.1500825881958
-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, , , , , 4.34490728378296, 11.8500003814697, , , , -0.384017527103424, , , , , , , , , , , 9.34130001068115, 0.167120084166527, 15.9979305267334
-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, , , , , 4.59888172149658, 11.8500003814697, , , , -0.36072164773941, , , , , , , , , , , 10.9797325134277, 0.266851544380188, 34.9688529968262
-InChI%3D1S%2FC8H8O4%2Fc1-12-8%2811%296-3-2-5%289%294-7%286%2910%2Fh2-4%2C9-10H%2C1H3, , , , , 4.43022203445435, 11.9962921142578, , , , -0.407778203487396, , , , , , , , , , , 8.50556945800781, 0.271962016820908, 15.999285697937
-InChI%3D1S%2FC9H18O%2Fc1-3-4-5-6-7-8-9%282%2910%2Fh3-8H2%2C1-2H3, , , , , 4.10542154312134, 11.8900003433228, , , , -0.299510270357132, , , , , , , , , , , 7.36792278289795, 0.191113591194153, 15.9949169158936
-InChI%3D1S%2FC13H8Cl2O2%2Fc14-12-5-4-11%287-13%2812%2915%2917-10-3-1-2-9%286-10%298-16%2Fh1-8H, , , , , 3.9345874786377, 11.8500003814697, , , , -0.360884368419647, , , , , , , , , , , 9.71151447296143, 0.223594829440117, 34.9698524475098
-InChI%3D1S%2FC8H8O3%2Fc1-11-7-4-2-3-6%285-9%298%287%2910%2Fh2-5%2C10H%2C1H3, , , , , 3.92260479927063, 11.9962921142578, , , , -0.404376029968262, , , , , , , , , , , 8.15995216369629, 0.165199592709541, 15.9987030029297
-InChI%3D1S%2FC10H22N2%2Fc1-9%282%2C11%298-4-6-10%283%2C12%297-5-8%2Fh8H%2C4-7%2C11-12H2%2C1-3H3, , , , , 6.29935789108276, 11.9934272766113, , , , -0.357741087675095, , , , , , , , , , , 9.90719699859619, 0.0459314323961735, 14.0092821121216
-InChI%3D1S%2FC8H14O3%2Fc1-4-10-5-6-11-8%289%297%282%293%2Fh2%2C4-6H2%2C1%2C3H3, , , , , 4.37203073501587, 11.8900003433228, , , , -0.378593266010284, , , , , , , , , , , 7.39170742034912, 0.288397371768951, 15.9969205856323
-InChI%3D1S%2FC6H6BrN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2, , , , , 5.60174703598022, 11.8500003814697, , , , -0.322890758514404, , , , , , , , , , , 9.4926290512085, 0.167740970849991, 78.9183349609375
-InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29, , , , , 5.00773763656616, 11.9886379241943, , , , -0.264732658863068, , , , , , , , , , , 6.17531061172485, 0.189372673630714, 14.0143480300903
-InChI%3D1S%2FC8H6ClN%2Fc1-6-3-2-4-8%289%297%286%295-10%2Fh2-4H%2C1H3, , , , , 4.54227781295776, 11.9985437393188, , , , -0.261855244636536, , , , , , , , , , , 9.28715133666992, 0.159932300448418, 34.9693794250488
-InChI%3D1S%2FC13H13NO%2Fc14-12-7-4-8-13%289-12%2915-10-11-5-2-1-3-6-11%2Fh1-9H%2C10%2C14H2, , , , , 5.64321613311768, 11.8500003814697, , , , -0.370015859603882, , , , , , , , , , , 8.55925273895264, 0.182213023304939, 15.9949188232422
-InChI%3D1S%2FC6H11NO%2Fc8-7-6-4-2-1-3-5-6%2Fh8H%2C1-5H2, , , , , 4.01093482971191, 11.8999996185303, , , , -0.266743302345276, , , , , , , , , , , 7.64166593551636, 0.120795987546444, 15.9949169158936
-InChI%3D1S%2FC2H5NO%2Fc1-2-3-4%2Fh2%2C4H%2C1H3, , , , , 3.32190942764282, 11.9989995956421, , , , -0.332933604717255, , , , , , , , , , , 4.92025518417358, 0.0287830177694559, 16.0009708404541
-InChI%3D1S%2FC6H12ClN.ClH%2Fc7-3-6-8-4-1-2-5-8%3B%2Fh1-6H2%3B1H, , , , , 2.72999811172485, 11.9945440292358, , , , -0.331501364707947, , , , , , , , , , , 8.21521663665771, 0.0618951693177223, 34.9698524475098
-InChI%3D1S%2FC9H13N%2Fc1-3-10-9-6-4-5-8%282%297-9%2Fh4-7%2C10H%2C3H2%2C1-2H3, , , , , 5.24283885955811, 11.8500003814697, , , , -0.308690786361694, , , , , , , , , , , 8.62158393859863, 0.170350328087807, 14.0030784606934
-InChI%3D1S%2FC8H19N%2Fc1-7%282%2C3%296-8%284%2C5%299%2Fh6%2C9H2%2C1-5H3, , , , , 6.17645645141602, 11.9934787750244, , , , -0.358125895261765, , , , , , , , , , , 9.1720142364502, 0.0436648949980736, 14.0091009140015
-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, , , , , 5.51274633407593, 11.8900003433228, , , , -0.391914188861847, , , , , , , , , , , 10.6340131759644, 0.0700204148888588, 15.9949169158936
-InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3, , , , , 6.00395488739014, 11.8500003814697, , , , -0.171536669135094, , , , , , , , , , , 8.44401454925537, 0.128604456782341, 12.1500968933105
-InChI%3D1S%2FC5H10O2%2Fc1-3-4-7-5%282%296%2Fh3-4H2%2C1-2H3, , , , , 3.64315271377563, 11.8900003433228, , , , -0.315866440534592, , , , , , , , , , , 5.99239110946655, 0.30158719420433, 15.9959173202515
-InChI%3D1S%2FC7H12O2%2Fc1-5%282%297%288%299-6%283%294%2Fh6H%2C1H2%2C2-4H3, , , , , 4.44086980819702, 11.8900003433228, , , , -0.309329837560654, , , , , , , , , , , 7.46038627624512, 0.288558930158615, 15.9959182739258
-InChI%3D1S%2FC7H12O%2Fc1-3-5-6-7%288%294-2%2Fh2%2C7-8H%2C3%2C5-6H2%2C1H3, , , , , 4.40588998794556, 11.6899995803833, , , , -0.406575053930283, , , , , , , , , , , 7.11952829360962, 0.214918076992035, 15.9949159622192
-InChI%3D1S%2FC5H13N%2Fc1-4%282%295%283%296%2Fh4-5H%2C6H2%2C1-3H3, , , , , 5.39473962783813, 11.8900003433228, , , , -0.327515333890915, , , , , , , , , , , 7.56480121612549, 0.0644296929240227, 14.0030765533447
\ No newline at end of file
diff --git a/5x_cv/FHM_topological.csv b/5x_cv/FHM_topological.csv
deleted file mode 100644
index 3e34ec4..0000000
--- a/5x_cv/FHM_topological.csv
+++ /dev/null
@@ -1,581 +0,0 @@
-SMILES,C1SP3,MDEC-33,khs.ssGeH2,khs.sssssP,khs.dsssP,khs.ddssS,MDEC-34,khs.aasC,SPC-4,VPC-4,khs.ssSe,SPC-5,VPC-5,khs.sssPbH,SPC-6,khs.ssSiH2,khs.ssBe,MDEN-11,VPC-6,MDEN-12,MDEO-22,WPOL,SP-0,MDEN-13,khs.sssSiH,ATSc1,Kier1,SP-1,khs.tCH,khs.sGeH3,ATSc2,khs.ssssGe,khs.dssC,Kier2,khs.ssPH,VAdjMat,ATSc3,SC-3,khs.aaNH,khs.sssAs,Kier3,SP-2,khs.sSeH,khs.ssNH2,MDEC-11,ATSc4,SC-4,khs.ssssPb,khs.sSH,SP-3,khs.sssGeH,MDEC-12,ATSc5,SC-5,SP-4,khs.sssB,MDEC-13,SC-6,khs.ssCH2,SP-5,khs.ssBH,MDEC-14,topoShape,SP-6,khs.sF,khs.sssssAs,VCH-3,khs.dO,SP-7,khs.aaCH,khs.aasN,VCH-4,MDEC-44,khs.ssssB,khs.dNH,khs.ddsN,VCH-5,khs.dssSe,khs.ssssC,fragC,VCH-6,khs.ssssBe,VCH-7,ECCEN,khs.dS,C3SP2,khs.sBr,khs.sI,TopoPSA,khs.dsCH,C3SP3,PetitjeanNumber,SCH-3,MDEN-22,khs.dsN,khs.ssNH,khs.ssssSi,SCH-4,MDEN-23,C4SP3,khs.sPbH3,khs.sssdAs,WPATH,SCH-5,C2SP1,SCH-6,C2SP2,SCH-7,khs.sSnH3,khs.aaN,khs.sssNH,MDEC-22,C2SP3,khs.aaO,khs.dssS,MDEC-23,khs.sCl,khs.sssN,khs.ssssSn,khs.dCH2,geomShape,MDEC-24,khs.ssO,ATSm1,khs.sssP,ATSm2,Zagreb,ATSp1,khs.aaaC,khs.sssCH,khs.ssssN,khs.sLi,VP-0,khs.aaS,ATSm3,MDEO-11,ATSp2,khs.ssPbH2,khs.sNH2,VP-1,ATSm4,khs.aaSe,VC-3,MDEO-12,ATSp3,khs.ssS,khs.sNH3,VP-2,khs.sAsH2,ATSm5,VC-4,TPSA,ATSp4,VP-3,khs.ssSnH2,VC-5,ATSp5,VP-4,khs.sPH2,khs.sCH3,khs.ddssSe,VC-6,MDEN-33,VP-5,khs.sOH,khs.tsC,khs.ssAsH,khs.sSiH3,VP-6,C1SP1,khs.sssSnH,VP-7,C1SP2,khs.tN,khs.ddC,khs.dSe
-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, 0.0, 4.50879764556885, , , , , 0.0, 3.0, 3.06308436393738 3.06308436393738, 0.70336240530014 0.70336240530014, , 4.1180157661438 4.1180157661438, 0.81500232219696 0.81500232219696, , 5.59544849395752 5.59544849395752, , 0.0, 0.0, 0.83116090297699 0.83116090297699, 0.0, 0.142857149243355, 26.0, 12.9996356964111, 0.0, , 0.624876856803894, 15.0588235855103, 8.00643730163574, 0.0, , -0.330592721700668, , 2.0, 6.80529308319092, , 5.08746290206909, 0.211008235812187, 1.24357008934021, 0.0, , 3.72889423370361, 6.91592264175415, , 0.0, 0.111111111938953, -0.146659672260284, 0.0, , , 5.67549467086792, , 1.34164083003998, -0.144022732973099, 0.405714482069016, 3.88879680633545, 0.0, 2.45254445075989, 0.0, 0.0, 3.02648329734802, 0.0, 0.0, 0.800000011920929, 1.9883234500885, , , 0.0, , 1.28085112571716, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 0.0, 404.070007324219, 0.0240562614053488, 0.0, 0.0348145477473736, 221.0, , 0.0, , , 98.4199981689453, 0.0, 2.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 512.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.117851130664349, , 0.0, 0.0, 1.65096366405487, 4.0, , , 8.09800910949707, , 0.0, , 0.0, , 0.0, , 22.0068016052246, , 20.2656688690186, 80.0, 754.697692871094, 0.0, 0.0, , 0.0, 9.12875461578369, , 27.6483287811279, 1.24381601810455, 863.143127441406, , 0.0, 4.45978212356567, 31.1478443145752, , 0.340652972459793, 1.76716732978821, 1159.99279785156, , 0.0, 2.97220134735107, , 30.0885906219482, 0.0, , 1201.1923828125, 2.02083516120911, , 0.0553092062473297, 967.086853027344, 1.21008813381195, , 2.0, , 0.0, 0.0, 0.737505972385406, , 0.0, , , 0.362695246934891, 0.0, , 0.181199073791504, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC12H17NO%2Fc1-4-13%285-2%2912%2814%2911-8-6-7-10%283%299-11%2Fh6-9H%2C4-5H2%2C1-3H3, 5.0, 1.65096366405487, , , , , 0.0, 2.0, 1.98831474781036 1.98831474781036, 0.783032476902008 0.783032476902008, , 2.9260528087616 2.9260528087616, 0.987431168556213 0.987431168556213, , 3.41326022148132 3.41326022148132, , 0.0, 0.0, 0.900614023208618 0.900614023208618, 0.0, 0.0, 19.0, 10.5520420074463, 0.0, , 0.191888898611069, 12.0714282989502, 6.68507051467896, 0.0, , -0.121978618204594, , 1.0, 5.77777767181396, , 4.80735492706299, 0.0604772008955479, 0.814458549022675, 0.0, , 3.27272725105286, 5.46755027770996, , 0.0, 0.516459047794342, -0.0300540383905172, 0.0, , , 4.51285171508789, , 4.86080026626587, -0.00527163315564394, 0.19245009124279, 3.37571668624878, 0.0, 2.63993310928345, 0.0, 2.0, 2.05620241165161, 0.0, 0.0, 0.75, 1.07868075370789, , , 0.0, 1.0, 0.656120359897614, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 779.02001953125, 0.0277777779847383, 0.0, 0.0416666679084301, 153.0, , 0.0, , , 20.3099994659424, 0.0, 2.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 307.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, , 0.0, 0.0, 5.08756160736084, 4.0, , , 8.15237903594971, , 1.0, , 0.0, , 0.0, 0.0, 15.1344566345215, , 14.8306474685669, 64.0, 797.337768554688, 0.0, 0.0, 0.0, 0.0, 9.07907676696777, , 19.3841133117676, 0.0, 874.696411132812, , 0.0, 5.04576730728149, 20.660737991333, , 0.407446950674057, 0.0, 1105.91613769531, , 0.0, 3.34692239761353, , 17.660737991333, 0.0, , 1074.99365234375, 2.315678358078, , 0.0380362905561924, 832.702331542969, 1.4714879989624, , 3.0, , 0.0, 0.0, 0.730466902256012, 0.0, 0.0, , , 0.349321097135544, 0.0, , 0.177195966243744, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC5H4ClNO%2Fc6-4-1-2-5%288%297-3-4%2Fh1-3H%2C%28H%2C7%2C8%29, 2.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.816496610641479 0.816496610641479, 0.260291039943695 0.260291039943695, 0.0, 0.760079681873322 0.760079681873322, 0.198185533285141 0.198185533285141, 0.0, 1.13807117938995 1.13807117938995, 0.0, 0.0, 0.0, 0.217172205448151 0.217172205448151, 0.0, 0.0, 7.0, 5.98312759399414, 0.0, 0.0, 0.187081158161163, 6.125, 3.78769373893738, 0.0, 0.0, -0.0982278883457184, 0.0, 0.0, 2.51999998092651, 0.0, 4.0, 0.0126126389950514, 0.577350258827209, 0.0, 0.0, 1.79999995231628, 3.3650438785553, 0.0, 0.0, 0.0, 0.0218612607568502, 0.0, 0.0, 0.0, 2.30453038215637, 0.0, 0.0, -0.0626144483685493, 0.0, 1.4267463684082, 0.0, 0.0, 0.0, 0.0, 1.30473780632019, 0.0, 0.0, 0.666666686534882, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 88.0299987792969, 0.0215165745466948, 0.0, 0.0340200066566467, 58.0, 0.0, 0.0, 0.0, 0.0, 33.1199989318848, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 62.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, 0.0, 1.0, 0.0, 1.65096366405487, 3.0, 0.0, 0.0, 4.24264049530029, 1.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 16.8472099304199, 0.0, 10.6161994934082, 36.0, 353.794006347656, 0.0, 0.0, 0.0, 0.0, 4.76037120819092, 0.0, 15.1214036941528, 0.0, 375.200897216797, 0.0, 0.0, 2.47171783447266, 12.2243795394897, 0.0, 0.246717259287834, 0.0, 440.009368896484, 0.0, 0.0, 1.77105140686035, 0.0, 4.28382921218872, 0.0, , 290.311859130859, 0.935352742671967, 0.0, 0.0, 75.506477355957, 0.479801148176193, 0.0, 0.0, 0.0, 0.0, 0.0, 0.326788514852524, 1.0, 0.0, 0.0, 0.0, 0.0680400133132935, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H8Cl2%2Fc9-5-7-1-2-8%286-10%294-3-7%2Fh1-4H%2C5-6H2, 2.0, 0.333333343267441, , , , , 0.0, 2.0, 0.985598564147949 0.985598564147949, 0.539426743984222 0.539426743984222, , 1.1148077249527 1.1148077249527, 0.523256897926331 0.523256897926331, , 1.04044008255005 1.04044008255005, , 0.0, 0.0, 0.407663226127625 0.407663226127625, 0.0, 0.0, 11.0, 7.39734125137329, 0.0, , 0.0878953784704208, 8.10000038146973, 4.86370325088501, 0.0, , -0.0361832492053509, , 0.0, 4.0, , 4.32192802429199, -0.006320227868855, 0.40824830532074, , , 2.28571438789368, 3.70324802398682, , 0.0, 0.0, 0.000347361637977883, 0.0, , , 3.12102699279785, , 0.0, 0.00500521622598171, 0.0, 2.04798078536987, 0.0, 0.0, 0.0, 2.0, 1.47140455245972, 0.0, 0.0, 0.75, 0.902368903160095, , , 0.0, , 0.402368932962418, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 234.020004272461, 0.0277777779847383, 0.0, 0.039283711463213, 100.0, , 0.0, , , 0.0, 0.0, 2.0, 0.428571432828903, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 125.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.117851130664349, , , , 6.58010387420654, 4.0, , , 7.55952644348145, , , , 0.0, , 0.0, , 25.4255065917969, , 13.9034748077393, 44.0, 591.520385742188, 0.0, 0.0, , 0.0, 6.99140167236328, , 15.9034748077393, 0.0, 629.298583984375, , 0.0, 4.13204145431519, 18.8069496154785, , 0.235702261328697, 0.0, 750.7587890625, , 0.0, 2.6182804107666, , 13.8069496154785, 0.0, , 629.820556640625, 1.94879150390625, , 0.0, 316.280242919922, 1.07378590106964, , 0.0, , 0.0, 0.0, 0.653344035148621, , 0.0, , , 0.421853005886078, 0.0, , 0.196229934692383, 0.0, , 0.0, 
-InChI%3D1S%2FC9H11N%2Fc1-2-8-10-9-6-4-3-5-7-9%2Fh2-7%2C10H%2C1%2C8H2, 1.0, 0.0, , , , , 0.0, 1.0, 0.433012694120407 0.433012694120407, 0.155150607228279 0.155150607228279, , 0.61237245798111 0.61237245798111, 0.185395404696465 0.185395404696465, , 0.679412364959717 0.679412364959717, , 0.0, 0.0, 0.166773706674576 0.166773706674576, 0.0, 0.0, 9.0, 7.23420429229736, 0.0, , 0.0652717351913452, 8.10000038146973, 4.93185186386108, 0.0, , -0.0385538749396801, , 0.0, 4.76033067703247, , 4.32192802429199, 0.00263515952974558, 0.20412415266037, , , 3.11111116409302, 3.64626431465149, , 0.0, 0.0, 0.00362430140376091, 0.0, , , 2.69067072868347, , 1.81689918041229, -0.000200770562514663, 0.0, 1.96861410140991, 0.0, 0.25, 0.0, 1.0, 1.51341998577118, 0.0, 0.0, 0.75, 0.637136876583099, , , 0.0, , 0.348461717367172, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 351.010009765625, 0.0320750139653683, 0.0, 0.0160375069826841, 107.0, , 0.0, , , 12.0299997329712, 1.0, 0.0, 0.428571432828903, 0.0, 0.0, , 1.0, , 0.0, 0.0, 0.0, , , 133.0, 0.0, 0.0, 0.102062076330185, 1.0, 0.0721687823534012, , , , 8.36400413513184, 6.0, , , 3.79983568191528, , , , 1.0, , 0.0, , 10.3599882125854, , 10.3323707580566, 42.0, 497.681640625, 0.0, 0.0, , 0.0, 5.87831497192383, , 11.498556137085, 0.0, 516.917785644531, , 0.0, 3.33073353767395, 9.49855613708496, , 0.0833333358168602, 0.0, 575.552734375, , 0.0, 2.03560137748718, , 6.16618537902832, 0.0, , 463.306518554688, 1.22431290149689, , 0.0, 289.747436523438, 0.746023893356323, , 0.0, , 0.0, 0.0, 0.467421740293503, , 0.0, , , 0.158754959702492, 0.0, , 0.0731386989355087, 1.0, , 0.0, 
-InChI%3D1S%2FC7H8O%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5%2C8H%2C1H3, 1.0, 0.333333343267441, , , , , 0.0, 2.0, 0.816496610641479 0.816496610641479, 0.278516381978989 0.278516381978989, , 0.760079681873322 0.760079681873322, 0.219658941030502, , 1.13807117938995 1.13807117938995, , 0.0, 0.0, 0.246867805719376, 0.0, 0.0, 7.0, 5.98312759399414, 0.0, , 0.0754449218511581, 6.125, 3.78769373893738, 0.0, , -0.0237379856407642, , 0.0, 2.51999998092651, , 4.0, -0.0129380654543638, 0.577350258827209, , , 1.79999995231628, 3.3650438785553, , , 0.0, -0.00100556667894125, 0.0, , , 2.30453038215637, , 1.63299322128296, -4.02373443648685e-05, 0.0, 1.4267463684082, 0.0, 1.0, 0.0, 0.0, 1.30473780632019, 0.0, 0.0, 0.666666686534882, 0.333333343267441, , , 0.0, , 0.0, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 200.009994506836, 0.0277777779847383, 0.0, 0.0402003787457943, 58.0, , 0.0, , , 20.2299995422363, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 62.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, , , , 3.30192732810974, 5.0, , , 5.65685415267944, , , , 0.0, , 0.0, , 8.77446937561035, , 8.33209228515625, 36.0, 349.810272216797, 0.0, 0.0, , 0.0, 4.75661468505859, , 10.6641836166382, 0.0, 369.928619384766, , , 2.54497408866882, 7.66418409347534, , 0.241202265024185, 0.0, 438.293243408203, , 0.0, 1.83554911613464, , 2.33209204673767, 0.0, , 290.995086669922, 1.03397142887115, , 0.0, 75.1603927612305, 0.544763445854187, , 1.0, , 0.0, 0.0, 0.380460470914841, , 0.0, , , 0.0804007574915886, 0.0, , 0.0, 0.0, , 0.0, 
-InChI%3D1S%2FC10H22O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-10H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 8.0, 8.3639612197876, 0.0, 0.0, 0.0834003686904907, 11.0, 5.41421365737915, 0.0, 0.0, -0.0336307436227798, 0.0, 0.0, 10.0, 0.0, 4.45943164825439, -0.00744553282856941, 0.0, 0.0, 0.0, 10.0, 3.47487378120422, 0.0, 0.0, 0.0, -0.000603174732532352, 0.0, 0.0, 0.0, 2.20710682868958, 0.0, 2.17015647888184, -2.04328189283842e-05, 0.0, 1.38388347625732, 0.0, 0.0, 0.0, 9.0, 0.853553414344788, 0.0, 0.0, 1.0, 0.515165030956268, 0.0, 0.0, 0.0, 0.0, 0.301776707172394, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 914.010009765625, 0.0, 0.0, 0.0, 150.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 220.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.1851243972778, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 11.7744693756104, 0.0, 10.3320922851562, 38.0, 474.577545166016, 0.0, 0.0, 0.0, 0.0, 7.8111743927002, 0.0, 9.33209228515625, 0.0, 450.597717285156, 0.0, 0.0, 5.02333450317383, 8.33209228515625, 0.0, 0.0, 0.0, 410.388275146484, 0.0, 0.0, 3.1984806060791, 0.0, 7.33209180831909, 0.0, , 361.430480957031, 2.01166725158691, 0.0, 0.0, 308.383331298828, 1.24568688869476, 0.0, 1.0, 0.0, 0.0, 0.0, 0.755833625793457, 1.0, 0.0, 0.0, 0.0, 0.446066737174988, 0.0, 0.0, 0.252916812896729, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 1.85140001773834 1.85140001773834, 0.398336470127106 0.398336470127106, , 2.5294976234436 2.5294976234436, 0.402203172445297 0.402203172445297, , 3.35758996009827 3.35758996009827, , 0.0, 0.0, 0.395843178033829 0.395843178033829, 0.0, 0.0, 14.0, 8.43072128295898, 0.25, , 0.187772318720818, 9.09090900421143, 5.10906076431274, 0.0, , 0.00578310946002603, , 0.0, 3.59999990463257, , 4.45943164825439, -0.0449167415499687, 0.993793487548828, , , 2.21453285217285, 4.80337953567505, , 0.0, 0.0, -0.0886714607477188, 0.0, , , 3.37654876708984, , 0.0, -0.0249165501445532, 0.232307806611061, 2.50549149513245, 0.0, 0.0, 0.0, 0.0, 1.89818668365479, 0.0, 0.0, 0.666666686534882, 0.653482377529144, , , 0.0, , 0.307529658079147, 3.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 179.050003051758, 0.0240562614053488, 0.0, 0.0354054644703865, 89.0, , 0.0, , , 92.0699996948242, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 148.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.175366476178169, , , , 1.65096366405487, 6.0, , , 5.85380077362061, , , , 0.0, , 0.0, , 14.0433835983276, , 12.7713947296143, 52.0, 444.764465332031, 0.0, 0.0, , 0.0, 5.52032470703125, , 17.767578125, 0.944940805435181, 495.660827636719, , 1.0, 2.83907103538513, 17.2107582092285, , 0.262592285871506, 0.0, 639.095947265625, , 0.0, 2.00526142120361, , 13.9017562866211, 0.0, , 539.649047851562, 1.19616663455963, , 0.0274249538779259, 293.870300292969, 0.686696887016296, , 0.0, , 0.0, 0.0, 0.404188603162766, , 0.0, , , 0.114351935684681, 0.0, , 0.0311635658144951, 0.0, , 0.0, 
-InChI%3D1S%2FC8H9NO%2Fc1-6%2810%297-3-2-4-8%289%295-7%2Fh2-5H%2C9H2%2C1H3, 1.0, 1.65096366405487, , , , , 0.0, 2.0, 1.38960480690002 1.38960480690002, 0.428652435541153 0.428652435541153, , 1.52280783653259 1.52280783653259, 0.401548266410828 0.401548266410828, , 1.98179233074188 1.98179233074188, , 0.0, 0.0, 0.392436563968658 0.392436563968658, 0.0, 0.0, 11.0, 7.56047773361206, 0.0, , 0.147710368037224, 8.10000038146973, 4.69837713241577, 0.0, , -0.0307433605194092, , 1.0, 3.40828394889832, , 4.32192802429199, -0.0294805485755205, 0.788675129413605, , , 2.28571438789368, 4.27587413787842, , 0.0, 0.0, 8.49978096084669e-05, 0.0, , , 2.91976571083069, , 1.09204828739166, -0.0393864475190639, 0.16666667163372, 2.08652830123901, 0.0, 1.5, 0.0, 0.0, 1.57210290431976, 0.0, 0.0, 0.666666686534882, 0.603098630905151, , , 0.0, , 0.328532844781876, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 271.019989013672, 0.0277777779847383, 0.0, 0.0299263969063759, 80.0, , 0.0, , , 43.0900001525879, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 117.0, 0.0, 0.0, 0.0833333358168602, 1.0, 0.131445854902267, , , , 3.53277564048767, 5.0, , , 6.4474196434021, , , , 0.0, , 0.0, , 11.1344566345215, , 10.4982776641846, 46.0, 485.870361328125, 0.0, 0.0, , 0.0, 5.79499959945679, , 13.9965543746948, 0.0, 527.351806640625, , 1.0, 3.06416654586792, 11.9965543746948, , 0.281620442867279, 0.0, 653.701843261719, , 0.0, 2.18164896965027, , 7.99655437469482, 0.0, , 523.302856445312, 1.29315364360809, , 0.0340206921100616, 284.541778564453, 0.757660746574402, , 1.0, , 0.0, 0.0, 0.455443143844604, , 0.0, , , 0.141496062278748, 0.0, , 0.0586770139634609, 0.0, , 0.0, 
-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, 4.0, 1.65096366405487, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 3.07915759086609 3.07915759086609, 4.71259880065918 4.71259880065918, 0.0, 3.79847741127014 3.79847741127014, 5.73584890365601 5.73584890365601, 0.0, 4.12832593917847 4.12832593917847, 0.0, 0.0, 0.0, 5.20302581787109 5.20302581787109, 0.0, 1.31556057929993, 25.0, 14.8889055252075, 0.0, 0.0, 0.866661727428436, 19.0, 8.91836261749268, 0.0, 0.0, -0.566419005393982, 0.0, 2.0, 9.83364868164062, 0.0, 5.24792766571045, 0.359758257865906, 1.61782073974609, 0.0, 0.0, 7.37279987335205, 7.3774790763855, 0.0, 0.0, 0.793700516223907, -0.214574784040451, 0.176776692271233, 0.0, 0.0, 5.4974422454834, 0.0, 2.58456468582153, -0.477301210165024, 0.117851130664349, 3.507000207901, 0.0, 2.60027813911438, 0.0, 3.0, 2.22840571403503, 0.0, 0.0, 0.800000011920929, 1.44038736820221, 0.0, 0.0, 0.0, 2.0, 0.835364103317261, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1027.08996582031, 0.0, 0.0, 0.0, 251.0, 1.0, 0.0, 0.0, 0.0, 138.259994506836, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 738.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.685006737709045, 2.0, 0.0, 0.0, 3.79021191596985, 0.0, 0.0, 0.0, 0.0, , 0.0, 4.0, 41.552734375, 0.0, 38.9669189453125, 82.0, 1081.07934570312, 0.0, 1.0, 0.0, 0.0, 13.9392910003662, 0.0, 51.7453994750977, 0.200000002980232, 1187.5966796875, 0.0, 0.0, 9.76392078399658, 46.610107421875, 0.0, 2.54792833328247, 1.92224907875061, 1486.51208496094, 1.0, 0.0, 9.78234958648682, 0.0, 44.8924179077148, 0.335410207509995, , 1519.185546875, 7.77814102172852, 0.0, 0.0416666679084301, 1433.15270996094, 4.95241498947144, 0.0, 4.0, 0.0, 0.0, 0.0, 3.24008440971375, 0.0, 0.0, 0.0, 0.0, 1.84157657623291, 0.0, 0.0, 0.96600329875946, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3HBr3N2%2Fc4-1-2%285%298-3%286%297-1%2Fh%28H%2C7%2C8%29, 2.0, 1.88988161087036, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 1.41023671627045 1.41023671627045, 1.47485303878784 1.47485303878784, 0.0, 1.74368977546692 1.74368977546692, 1.69008886814117 1.69008886814117, 0.0, 1.61931610107422 1.61931610107422, 0.0, 0.0, 0.0, 2.19694185256958 2.19694185256958, 0.0, 0.0, 7.0, 6.14626455307007, 0.0, 0.0, 0.226065590977669, 6.125, 3.69837737083435, 0.0, 0.0, -0.172798112034798, 0.0, 0.0, 2.08264470100403, 0.0, 4.0, 0.0812896341085434, 0.760079681873322, 2.0, 0.0, 1.25, 3.5311439037323, 0.0, 0.0, 0.0, -0.0416566878557205, 0.0, 0.0, 0.0, 2.51971244812012, 0.0, 0.0, 0.0201323684304953, 0.16666667163372, 1.83019411563873, 0.0, 0.0, 0.0, 0.0, 0.849515795707703, 0.0, 0.0, 0.333333343267441, 0.0962250456213951, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.025000000372529, 0.0, 0.0, 8.05000019073486, 0.147297069430351, 0.0, 0.289285719394684, 51.0, 0.0, 0.0, 3.0, 0.0, 25.7800006866455, 0.0, 0.0, 0.25, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 59.0, 0.0962250456213951, 0.0, 0.288675129413605, 0.0, 0.288675129413605, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 138.494247436523, 0.0, 25.622766494751, 38.0, 621.721557617188, 0.0, 0.0, 0.0, 0.0, 8.28631019592285, 0.0, 50.0307159423828, 0.0, 679.47216796875, 0.0, 0.0, 4.09036874771118, 86.3852996826172, 0.0, 0.635551154613495, 0.0, 864.585998535156, 0.0, 0.0, 3.28581428527832, 0.0, 88.5161819458008, 0.0, , 476.941986083984, 2.54355430603027, 0.0, 0.192857146263123, 105.904350280762, 1.62303447723389, 0.0, 0.0, 0.0, 0.0, 0.0, 0.725835859775543, 0.0, 0.0, 0.0, 0.0, 0.0964285731315613, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H24O%2Fc1-3-4-5-6-7-8-9-10-11-12%282%2913%2Fh3-11H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.102062076330185 0.102062076330185, 0.0, 0.20412415266037 0.20412415266037, 0.0721687823534012 0.0721687823534012, 0.0, 0.144337564706802 0.144337564706802, 0.0, 0.0, 0.0, 0.0510310381650925 0.0510310381650925, 0.0, 0.0, 10.0, 9.94131088256836, 0.0, 0.0, 0.121041655540466, 13.0, 6.27005577087402, 0.0, 0.0, -0.0234891343861818, 0.0, 1.0, 10.0833330154419, 0.0, 4.70043992996216, -0.0351925380527973, 0.40824830532074, 0.0, 0.0, 12.0, 4.65739583969116, 0.0, 0.0, 0.0909090936183929, -0.00172985868994147, 0.0, 0.0, 0.0, 2.63502788543701, 0.0, 3.81913924217224, -0.000106062878330704, 0.0, 1.68646931648254, 0.0, 0.63245552778244, 0.0, 9.0, 1.06751394271851, 0.0, 0.0, 0.833333313465118, 0.666457951068878, 0.0, 0.0, 0.0, 1.0, 0.408756941556931, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1140.01000976562, 0.0, 0.0, 0.0, 203.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.454545468091965, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 354.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 13.1851243972778, 9.0, 0.0, 0.0, 2.17015647888184, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 13.7744693756104, 0.0, 12.3320922851562, 48.0, 587.341979980469, 0.0, 0.0, 0.0, 0.0, 9.27220916748047, 0.0, 12.6641836166382, 0.0, 567.58447265625, 0.0, 0.0, 5.76478433609009, 10.3320922851562, 0.0, 0.144337564706802, 0.0, 549.091125488281, 0.0, 0.0, 3.92688894271851, 0.0, 9.33209228515625, 0.0, , 476.616027832031, 2.38239216804504, 0.0, 0.0, 422.221496582031, 1.50782895088196, 0.0, 2.0, 0.0, 0.0, 0.0, 0.941196084022522, 0.0, 0.0, 0.0, 0.0, 0.577137768268585, 0.0, 0.0, 0.345598042011261, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2F2C9H13N.H2O4S%2Fc2%2A1-8%2810%297-9-5-3-2-4-6-9%3B1-5%282%2C3%294%2Fh2%2A2-6%2C8H%2C7%2C10H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29, 2.0, 4.76220293421648e-06, , , , , 0.0, 2.0, 1.28445708751678 1.28445708751678, 0.643950521945953 0.643950521945953, , 2.08377695083618 2.08377695083618, 0.879652798175812 0.879652798175812, , 2.18682599067688 2.18682599067688, , 0.0, 9.99999971718069e-10, 0.755724489688873 0.755724489688873, 0.0, 0.0, 18.0, 19.2946815490723, 0.0, , 0.323518097400665, 25.0, 11.5753870010376, 0.0, , -0.224597156047821, , 0.0, 14.1066665649414, , 5.64385604858398, 0.0631789118051529, 3.22474479675293, 0.0, , 20.1666660308838, 11.2671699523926, , 0.0, 9.99999971718069e-10, -0.000317534140776843, 0.5, , , 5.0589656829834, , 0.000374490773538128, -2.29255383601412e-05, 0.0, 4.17901706695557, 0.0, 0.000192224906641059, 0.0, 2.0, 2.90913558006287, 0.0, 0.0, 999.0009765625, 1.19104409217834, , , 0.0, , 0.638071179389954, 10.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 2104.07006835938, 0.0641500279307365, 0.0, 0.0453609228134155, 755359680.0, , 0.0, , , 135.020004272461, 0.0, 2.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 199999995904.0, 0.0, 0.0, 0.20412415266037, 0.0, 0.144337564706802, , 0.0, 0.0, 0.0, 14.0, , , 0.00104044668842107, , 0.0, , 0.0, , 0.0, , 34.9456062316895, , 34.5579681396484, 108.0, 1184.41479492188, 0.0, 2.0, , 0.0, 15.0751514434814, , 35.3115539550781, 3.0, 1223.78674316406, , 2.0, 8.6498966217041, 18.3323707580566, , 0.977966368198395, 0.0, 1440.08154296875, , 0.0, 6.28520107269287, , 14.664740562439, 0.0289036650210619, , 976.680969238281, 2.80100440979004, , 0.0, 662.45751953125, 1.97175669670105, , 2.0, , 0.0, 0.0, 1.12847018241882, , 0.0, , , 0.429300367832184, 0.0, , 0.195478409528732, 0.0, 0.0, 0.0, 
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-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, 4.0, 1.65096366405487, 0.0, 0.0, 0.0, 0.0, 4.01156044006348, 0.0, 6.01308012008667 6.01308012008667, 4.86006927490234 4.86006927490234, 0.0, 9.6026554107666 9.6026554107666, 8.24303817749023 8.24303817749023, 0.0, 12.3006086349487 12.3006086349487, 0.0, 0.0, 0.0, 10.6973104476929 10.6973104476929, 0.0, 0.0, 38.0, 15.8889055252075, 0.0, 0.0, 0.0759923309087753, 17.3553714752197, 9.62277412414551, 0.0, 0.0, -0.0219053737819195, 0.0, 1.0, 5.8938775062561, 0.0, 5.39231729507446, -0.0146848103031516, 3.40596508979797, 0.0, 0.0, 3.34710741043091, 10.1181087493896, 0.0, 0.0, 2.72879838943481, 0.00042645403300412, 0.571975290775299, 0.0, 0.0, 7.80978631973267, 0.0, 11.6761655807495, -0.00877075642347336, 0.701981246471405, 5.94824552536011, 0.0, 5.27979898452759, 0.161947965621948, 7.0, 4.10929584503174, 0.0, 5.53277540206909, 0.800000011920929, 3.61697745323181, 0.0, 0.0, 0.0, 0.0, 1.88678872585297, 0.0, 0.0, 0.0, 0.825481832027435, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 2716.01000976562, 0.0926977023482323, 0.0, 0.369528621435165, 311.0, 0.0, 1.0, 0.0, 0.0, 20.2299995422363, 1.0, 3.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 856.0, 0.0, 0.0, 0.0991435572504997, 1.0, 0.406962960958481, 0.0, 0.0, 0.0, 8.20534992218018, 7.0, 0.0, 0.0, 9.32338905334473, 0.0, 0.0, 0.0, 2.0, , 8.48597717285156, 0.0, 21.7744693756104, 0.0, 22.3320922851562, 114.0, 1800.93994140625, 0.0, 2.0, 0.0, 0.0, 14.5432252883911, 0.0, 35.9962768554688, 0.0, 2149.39819335938, 0.0, 0.0, 8.65949440002441, 38.6641845703125, 0.0, 2.67432928085327, 0.0, 3247.13940429688, 0.0, 0.0, 8.75002002716064, 0.0, 33.3320922851562, 0.413262367248535, , 3408.63134765625, 6.69780969619751, 0.0, 0.642952680587769, 2788.46508789062, 5.34629487991333, 0.0, 4.0, 0.0, 0.155502110719681, 0.0, 3.58375120162964, 1.0, 0.0, 0.0, 0.0, 2.90827965736389, 0.0, 0.0, 1.51866102218628, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H16O2%2Fc1-3-4-5-6-7-10-8%282%299%2Fh3-7H2%2C1-2H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.0589255653321743 0.0589255653321743, 0.0, 0.20412415266037 0.20412415266037, 0.0416666679084301 0.0416666679084301, 0.0, 0.144337564706802 0.144337564706802, 0.0, 0.0, 0.0, 0.0294627826660872 0.0294627826660872, 0.0, 0.0, 7.0, 7.81999111175537, 0.0, 0.0, 0.270854264497757, 10.0, 4.77005577087402, 0.0, 0.0, -0.165358111262321, 0.0, 1.0, 7.11111116409302, 0.0, 4.32192802429199, 0.0505840219557285, 0.40824830532074, 0.0, 0.0, 9.14285755157471, 3.59673547744751, 0.0, 0.0, 0.125, -0.0157026406377554, 0.0, 0.0, 0.0, 1.88502776622772, 0.0, 2.83101272583008, -0.00452675018459558, 0.0, 1.15613925457001, 0.0, 0.755928933620453, 0.0, 5.0, 0.692513883113861, 0.0, 0.0, 1.0, 0.40129292011261, 0.0, 0.0, 0.0, 1.0, 0.216506347060204, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 535.02001953125, 0.0, 0.0, 0.0, 111.0, 0.0, 0.0, 0.0, 0.0, 26.2999992370605, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 158.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.67623996734619, 4.0, 0.0, 0.0, 1.34123075008392, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 11.5489377975464, 0.0, 9.99627590179443, 36.0, 359.117279052734, 0.0, 0.0, 0.0, 0.0, 6.8520302772522, 0.0, 10.7707452774048, 0.0, 339.638153076172, 0.0, 0.0, 3.90403032302856, 7.66418409347534, 0.0, 0.0833333358168602, 0.5, 321.548858642578, 0.0, 0.0, 2.40070343017578, 0.0, 6.66418409347534, 0.0, , 262.498748779297, 1.30321621894836, 0.0, 0.0, 217.366500854492, 0.744736313819885, 0.0, 2.0, 0.0, 0.0, 0.0, 0.40160807967186, 0.0, 0.0, 0.0, 0.0, 0.180117547512054, 0.0, 0.0, 0.0869001746177673, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H8O%2Fc1-2-3-4-5%2Fh4H%2C2-3H2%2C1H3, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.12132024765015, 0.0, 0.0, 0.132066667079926, 5.0, 2.41421365737915, 0.0, 0.0, -0.0442660227417946, 0.0, 0.0, 4.0, 0.0, 3.32192802429199, -0.0192874670028687, 0.0, 0.0, 0.0, 4.0, 1.35355341434479, 0.0, 0.0, 0.0, -0.0023360603954643, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 1.65096366405487, -0.00014378092600964, 0.0, 0.353553384542465, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 124.01000213623, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.77446889877319, 0.0, 4.33209180831909, 14.0, 126.468162536621, 0.0, 0.0, 0.0, 0.0, 3.3998122215271, 0.0, 3.33209204673767, 0.0, 107.010704040527, 0.0, 0.0, 1.85105729103088, 2.33209204673767, 0.0, 0.0, 0.0, 76.2373657226562, 0.0, 0.0, 0.955341815948486, 0.0, 1.33209192752838, 0.0, , 42.6425933837891, 0.406526267528534, 0.0, 0.0, 16.088550567627, 0.117851130664349, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-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, 0.0, 16.1332454681396, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 5.35011386871338 5.35011386871338, 2.87041640281677 2.87041640281677, 0.0, 7.32470655441284 7.32470655441284, 3.54094767570496 3.54094767570496, , 11.3090038299561 11.3090038299561, 0.0, 0.0, 0.0, 4.78059816360474 4.78059816360474, 0.0, 0.0, 38.0, 15.8948230743408, 0.0, 0.0, 0.439760953187943, 17.3553714752197, 9.73495864868164, 0.0, 0.0, -0.0586366429924965, 0.0, 0.0, 6.62993574142456, 0.0, 5.39231729507446, -0.123784475028515, 1.98477494716644, 0.0, 0.0, 3.34710741043091, 9.38041877746582, 0.0, 0.0, 0.0, -0.0335479639470577, 0.0, , 0.0, 8.32312965393066, 0.0, 0.0, -0.0031671361066401, 0.858600735664368, 5.84993171691895, 0.0, 0.0, 0.0, 1.0, 4.48265647888184, 0.0, 0.0, 1.0, 2.89143300056458, 0.0, 0.0, 0.0, 0.0, 1.63741481304169, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 364.079986572266, 0.0360843911767006, 0.0, 0.164400517940521, 286.0, 0.0, 0.0, , , 40.4599990844727, 0.0, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 860.0, 0.0, 0.0, 0.0907218456268311, 0.0, 0.427037388086319, , 0.0, 0.0, 0.595275402069092, 11.0, 0.0, 0.0, 10.9242362976074, 6.0, 0.0, , 0.0, , 0.0, 0.0, 68.8254623413086, 0.0, 34.3746070861816, 110.0, 1835.46459960938, 0.0, 0.0, 0.0, 0.0, 14.5595951080322, 0.0, 57.7492179870605, 0.16666667163372, 2166.58520507812, , 0.0, 7.71070098876953, 88.6063537597656, 0.0, 1.22670710086823, 0.0, 3092.42138671875, 0.0, 0.0, 6.5242166519165, 0.0, 76.0386962890625, 0.0, , 3270.96704101562, 5.06316947937012, , 0.398520827293396, 2545.82104492188, 3.19599485397339, 0.0, 0.0, 0.0, 0.0, 0.0, 2.09383940696716, 2.0, 0.0, 0.0, 0.0, 1.20944762229919, 0.0, , 0.629848182201385, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H5F3O%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-5H, 1.0, 0.5, , , , , 1.15470051765442, 2.0, 2.30946588516235 2.30946588516235, 0.450940012931824 0.450940012931824, , 2.58978915214539 2.58978915214539, 0.437986493110657 0.437986493110657, , 3.20201301574707 3.20201301574707, , 0.0, 0.0, 0.421984702348709 0.421984702348709, 0.0, 0.0, 15.0, 9.19023418426514, 0.0, , 0.384888261556625, 10.0833330154419, 5.53702354431152, 0.0, , -0.206662490963936, , 0.0, 3.80622839927673, , 4.58496236801147, 0.0408621728420258, 1.71448707580566, , , 2.77777767181396, 5.50382852554321, , 0.0, 0.0, 0.0276095736771822, 0.288675129413605, , , 3.58490467071533, , 0.0, 0.0251265540719032, 0.433012694120407, 2.4483540058136, 0.0, 0.0, 0.144337564706802, 0.0, 1.93622601032257, 0.0, 0.0, 1.0, 1.01307117938995, , , 0.0, , 0.534517824649811, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 1.0, 157.039993286133, 0.0277777779847383, 0.0, 0.0299263969063759, 112.0, , 0.0, , , 17.0699996948242, 1.0, 2.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 193.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.100592233240604, , , , 4.94145393371582, 4.0, , , 6.26120090484619, , , , 0.0, , 1.74706780910492, , 17.2806015014648, , 14.077446937561, 58.0, 443.977172851562, 0.0, 0.0, , 0.0, 5.92889308929443, , 23.5835800170898, 0.0, 497.384246826172, , 0.0, 3.16269135475159, 19.1548938751221, , 0.313698709011078, 0.0, 641.18896484375, , 0.0, 2.2410728931427, , 15.1548948287964, 0.0134987309575081, , 540.891540527344, 1.35003697872162, , 0.0357142873108387, 327.374328613281, 0.788302361965179, , 0.0, , 0.00449957698583603, 0.0, 0.478713005781174, , 0.0, , , 0.170264527201653, 0.0, , 0.0660102441906929, 1.0, , 0.0, 
-InChI%3D1S%2F2C21H22N2O2.H2O4S%2Fc2%2A24-18-10-16-19-13-9-17-21%286-7-22%2817%2911-12%2813%295-8-25-16%2914-3-1-2-4-15%2814%2923%2818%2920%2819%2921%3B1-5%282%2C3%294%2Fh2%2A1-5%2C13%2C16-17%2C19-20H%2C6-11H2%3B%28H2%2C1%2C2%2C3%2C4%29%2Ft2%2A13-%2C16-%2C17-%2C19%3F%2C20-%2C21%3F%3B%2Fm00.%2Fs1, 6.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.000812618585769087, 4.0, 12.342435836792 12.342435836792, 8.25155353546143 8.25155353546143, 0.0, 25.5791397094727 25.5791397094727, 15.6456003189087 15.6456003189087, 0.0, 44.2928009033203 44.2928009033203, 0.0, 0.0, 0.0, 24.395923614502 24.395923614502, 0.0, 9.99999971718069e-10, 126.0, 37.1722679138184, 0.0, 0.0, 1.19096875190735, 36.8181800842285, 26.5753211975098, 0.0, 0.0, -0.702683985233307, 0.0, 4.0, 13.0046300888062, 0.0, 6.78135967254639, 0.162173941731453, 6.0235915184021, 0.0, 0.0, 5.05245685577393, 27.104434967041, 0.0, 0.0, 0.0, -0.262272655963898, 0.636082768440247, 0.0, 0.0, 23.8377017974854, 0.0, 0.0, 0.40189066529274, 1.69146847724915, 23.7706642150879, 0.0, 0.0, 0.156472027301788, 12.0, 22.7460918426514, 0.0, 0.0, 999.0009765625, 19.9669303894043, 0.0, 0.0, 0.0, 4.0, 17.3301162719727, 8.0, 0.0, 0.0, 9.99999971718069e-10, 0.0, 0.0, 0.0, 0.193649172782898, 0.0, 2.0, 9574.1298828125, 0.81816577911377, 0.0, 1.69609868526459, -1143986304.0, 0.0, 2.0, 0.0, 0.0, 148.539993286133, 2.0, 6.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 874999971840.0, 0.277777791023254, 0.0, 1.30337178707123, 2.0, 2.94426918029785, 0.0, 0.0, 0.0, 0.0, 22.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, , 0.000829976284876466, 2.0, 68.7634582519531, 0.0, 80.2123718261719, 348.0, 5343.99609375, 0.0, 10.0, 0.0, 0.0, 31.0321674346924, 0.0, 119.401817321777, 4.5256321755005e-05, 7010.6708984375, 0.0, 0.0, 20.9841041564941, 133.972991943359, 0.0, 3.08903384208679, 3.01188180173995e-07, 11833.2841796875, 0.0, 0.0, 18.5049114227295, 0.0, 134.684097290039, 0.146754801273346, , 13779.3671875, 16.4340496063232, 0.0, 1.0433406829834, 12476.966796875, 15.0164365768433, 0.0, 0.0, 0.0, 0.10171752423048, 3.77976311938255e-06, 13.2016305923462, 2.0, 0.0, 0.0, 0.0, 10.6157455444336, 0.0, 0.0, 8.48550796508789, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H8F2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H, 0.0, 1.53261888027191, , , , , 0.0, 4.0, 1.62954914569855 1.62954914569855, 0.370654821395874 0.370654821395874, , 1.96420383453369 1.96420383453369, 0.395798534154892 0.395798534154892, , 2.76322031021118 2.76322031021118, , 0.0, 0.0, 0.420812040567398 0.420812040567398, 0.0, 0.0, 18.0, 10.6733617782593, 0.0, , 0.330832868814468, 11.484375, 7.23718357086182, 0.0, , -0.114605247974396, , 0.0, 5.36507940292358, , 4.90689039230347, -0.0264944415539503, 0.985598564147949, 0.0, , 3.5, 6.48749780654907, , 0.0, 0.0, -0.0290279928594828, 0.0, , , 4.93752384185791, , 0.0, -0.148562759160995, 0.0, 3.60103964805603, 0.0, 0.0, 0.0, 0.0, 3.21497464179993, 0.0, 0.0, 1.0, 1.65425360202789, 2.0, , 0.0, 0.0, 1.06531405448914, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 366.029998779297, 0.0555555559694767, 0.0, 0.0436784885823727, 240.0, , 0.0, , , 9.22999954223633, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 404.0, 0.0, 0.0, 0.16666667163372, 0.0, 0.284517794847488, , 0.0, 0.0, 8.69190216064453, 12.0, 0.0, , 12.3619976043701, , 0.0, , 0.0, , 0.0, 1.0, 18.7785568237305, , 17.8277549743652, 74.0, 700.469360351562, 0.0, 0.0, 0.0, 0.0, 7.7829794883728, , 24.6555080413818, 0.0, 785.176208496094, , 0.0, 4.42894697189331, 21.6555080413818, , 0.262070924043655, 0.0, 1002.00207519531, , 0.0, 3.0099024772644, , 13.8277540206909, 0.0, , 862.959045410156, 1.8629777431488, , 0.0, 596.886108398438, 1.14135885238647, , 0.0, , 0.0, 0.0, 0.761250734329224, 0.0, 0.0, , 0.0, 0.276286244392395, 0.0, , 0.143097996711731, 0.0, 0.0, 0.0, 
-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, 2.0, 1.65096366405487, , , , , 0.0, 2.0, 1.369384765625 1.369384765625, 0.339063942432404 0.339063942432404, , 1.85713529586792 1.85713529586792, 0.398394554853439 0.398394554853439, , 2.37660932540894 2.37660932540894, , 0.0, 0.0, 0.391990125179291 0.391990125179291, 0.0, 0.0, 14.0, 13.4746913909912, 0.0, , 0.50348836183548, 17.0, 7.73638200759888, 0.0, , -0.267260909080505, , 1.0, 8.16326522827148, , 5.08746290206909, 0.0627587363123894, 2.69104409217834, , , 10.8512115478516, 7.79781627655029, , 0.0, 9.99999971718069e-10, -0.0235917773097754, 0.5, , , 3.52571153640747, , 0.000157717935508117, -0.0861884877085686, 0.117851130664349, 2.68889904022217, 0.0, 9.30241731111892e-05, 0.0, 1.0, 1.85662066936493, 0.0, 0.0, 999.0009765625, 0.889695107936859, , , 0.0, , 0.523541152477264, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 689.070007324219, 0.0277777779847383, 0.0, 0.0299263969063759, 1935228928.0, , 0.0, , , 115.069999694824, 0.0, 1.0, 0.999000012874603, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 60000002048.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, , , , 3.92513632774353, 5.0, , , 7.27411651611328, , , , 0.0, , 0.0, , 27.36008644104, , 26.501443862915, 74.0, 744.509521484375, 0.0, 0.0, , 0.0, 10.0411748886108, , 26.4227981567383, 0.000134164074552245, 768.106201171875, , 1.0, 5.72695827484131, 15.9928302764893, , 0.746997714042664, 5.98139536123199e-07, 949.943603515625, , 0.0, 3.90285086631775, , 12.9928302764893, 0.0646305605769157, , 654.343017578125, 1.39776146411896, , 0.0138888889923692, 453.390502929688, 0.88006979227066, , 2.0, , 0.0, 0.0, 0.505882740020752, , 0.0, , , 0.195860132575035, 0.0, , 0.0858547315001488, 1.0, , 0.0, 
-InChI%3D1S%2FC12H10%2Fc1-3-9-4-2-6-11-8-7-10%285-1%2912%289%2911%2Fh1-6H%2C7-8H2, 0.0, 4.24264049530029, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 1.75586152076721 1.75586152076721, 0.878597140312195 0.878597140312195, 0.0, 3.35240936279297 3.35240936279297, 1.45561730861664 1.45561730861664, 0.0, 4.49649143218994 4.49649143218994, 0.0, 0.0, 0.0, 1.63631749153137 1.63631749153137, 0.0, 0.0, 18.0, 7.96625518798828, 0.0, 0.0, 0.0, 7.40816307067871, 5.94948959350586, 0.0, 0.0, 0.0, 0.0, 0.0, 2.75, 0.0, 4.58496236801147, 0.0, 0.611111104488373, 0.0, 0.0, 1.07015454769135, 5.29674673080444, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.84090137481689, 0.0, 0.0, 0.0, 0.16666667163372, 4.45502328872681, 0.0, 0.0, 0.0, 2.0, 3.55218243598938, 0.0, 0.0, 0.666666686534882, 2.35329961776733, 0.0, 0.0, 0.0, 0.0, 1.66652488708496, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0625, 0.0, 0.0, 444.0, 0.151531308889389, 0.0, 0.220523506402969, 114.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 166.0, 0.0962250456213951, 0.0, 0.32772108912468, 0.0, 0.57248991727829, 0.0, 0.0, 0.0, 10.6222019195557, 8.0, 0.0, 0.0, 14.9869928359985, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 12.0, 0.0, 14.0, 68.0, 835.916625976562, 2.0, 0.0, 0.0, 0.0, 6.87831497192383, 0.0, 20.0, 0.0, 1007.58856201172, 0.0, 0.0, 4.44514083862305, 18.0, 0.0, 0.349957466125488, 0.0, 1455.30517578125, 0.0, 0.0, 3.43238544464111, 0.0, 12.0, 0.0, , 1230.16259765625, 2.74096465110779, 0.0, 0.0718643665313721, 738.217590332031, 2.18778157234192, 0.0, 0.0, 0.0, 0.0, 0.0, 1.46616160869598, 0.0, 0.0, 0.0, 0.0, 0.846107721328735, 0.0, 0.0, 0.515995383262634, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H, 1.0, 1.0, , , , , 0.0, 0.0, 0.942809045314789 0.942809045314789, 0.314441025257111 0.314441025257111, , 1.5 1.5, 0.394233018159866 0.394233018159866, , 1.41421353816986 1.41421353816986, , 0.0, 0.0, 0.300349175930023 0.300349175930023, 0.0, 0.0, 9.0, 6.10444784164429, 0.0, , 0.163348972797394, 5.76000022888184, 4.46632671356201, 0.0, , -0.0787805616855621, , 0.0, 2.31952667236328, , 4.16992521286011, -0.00726826256141067, 0.333333343267441, 0.0, , 0.996539771556854, 3.73552012443542, , 0.0, 0.0, 0.00396911660209298, 0.0, , , 3.21632647514343, , 0.0, 0.000405217084335163, 0.0833333358168602, 2.68676519393921, 0.0, 0.0, 0.0, 0.0, 1.77903914451599, 0.0, 0.0, 0.333333343267441, 0.936856329441071, , , 0.0, , 0.560395419597626, 6.0, , 0.0, 0.0, 0.0, 0.0, , 0.0340206921100616, , 0.0, 184.009994506836, 0.0670614913105965, 0.0, 0.0613984279334545, 70.0, , 0.0, , , 13.1400003433228, 0.0, 1.0, 0.25, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 79.0, 0.117851130664349, 0.0, 0.25, 0.0, 0.294627815485001, , , , 6.86171770095825, 6.0, , , 6.6689920425415, , , , 0.0, , 0.0, , 9.77446937561035, , 10.6641836166382, 46.0, 415.041076660156, 2.0, 0.0, , 0.0, 4.87234973907471, , 13.9962759017944, 0.0, 471.492492675781, , 0.0, 2.88918519020081, 9.66418361663818, , 0.142258897423744, 0.0, 613.159057617188, , 0.0, 1.95842659473419, , 4.33209180831909, 0.0, , 400.184600830078, 1.3616201877594, , 0.0196418557316065, 157.593872070312, 0.906177043914795, , 0.0, , 0.0, 0.0, 0.494945228099823, , 0.0, , , 0.196636587381363, 0.0, , 0.0925643891096115, 0.0, , 0.0, 
-InChI%3D1S%2FC8H19N%2Fc1-2-3-4-5-6-7-8-9%2Fh2-9H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 6.0, 6.94974756240845, 0.0, 0.0, 0.0296331718564034, 9.0, 4.41421365737915, 0.0, 0.0, -0.0120891109108925, 0.0, 0.0, 8.0, 0.0, 4.16992521286011, -0.00252518872730434, 0.0, 0.0, 0.0, 8.0, 2.76776695251465, 0.0, 0.0, 0.0, -0.000196016044355929, 0.0, 0.0, 0.0, 1.70710682868958, 0.0, 2.07099652290344, -6.19201682638959e-06, 0.0, 1.03033006191254, 0.0, 0.0, 0.0, 7.0, 0.603553414344788, 0.0, 0.0, 1.0, 0.338388353586197, 0.0, 0.0, 0.0, 0.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 657.010009765625, 0.0, 0.0, 0.0, 96.0, 0.0, 0.0, 0.0, 0.0, 26.0200004577637, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 120.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.33325862884521, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 9.35998821258545, 0.0, 8.16618537902832, 30.0, 381.587432861328, 0.0, 0.0, 0.0, 0.0, 6.52709770202637, 0.0, 7.16618537902832, 0.0, 354.840148925781, 0.0, 1.0, 4.11535501480103, 6.16618537902832, 0.0, 0.0, 0.0, 312.679534912109, 0.0, 0.0, 2.55644202232361, 0.0, 5.16618537902832, 0.0, , 263.27392578125, 1.55767750740051, 0.0, 0.0, 210.947860717773, 0.924667656421661, 0.0, 1.0, 0.0, 0.0, 0.0, 0.528838753700256, 0.0, 0.0, 0.0, 0.0, 0.285557121038437, 0.0, 0.0, 0.139419376850128, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H6OS%2Fc1-4%282%293%2Fh1-2H3, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.0911446139216423, 4.0, 1.73205077648163, 0.0, 0.0, -0.00188967178110033, 0.0, 0.0, 1.33333337306976, 0.0, 3.0, -0.0436826348304749, 0.577350258827209, 0.0, 0.0, , 1.73205077648163, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 69.0199966430664, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0, 0.0, 36.2799987792969, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 10.9022216796875, 0.0, 8.89596939086914, 12.0, 176.349212646484, 0.0, 0.0, 0.0, 0.0, 3.27535820007324, 0.0, 3.66418385505676, 0.0, 139.292953491211, 0.0, 0.0, 2.08821606636047, 0.0, 0.0, 0.353996157646179, 0.0, 122.280792236328, 0.0, 0.0, 1.57510232925415, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H5NO4%2Fc9-4-5-3-6%2810%291-2-7%285%298%2811%2912%2Fh1-4%2C10H, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 1.83675169944763 1.83675169944763, 0.446027129888535 0.446027129888535, , 2.6833279132843 2.6833279132843, 0.499379187822342 0.499379187822342, , 3.34901905059814 3.34901905059814, , 0.0, 0.0, 0.447219699621201 0.447219699621201, 0.0, 0.0, 16.0, 9.13782787322998, 0.0, , 0.280311107635498, 10.0833330154419, 5.64706563949585, 0.0, , -0.0377081260085106, , 0.0, 4.296875, , 4.58496236801147, 0.0139756668359041, 0.924757897853851, , , 2.49307489395142, 4.99442386627197, , 0.0, 0.0, -0.0460823364555836, 0.0, , , 3.68409848213196, , 0.0, -0.212481871247292, 0.20412415266037, 2.86921977996826, 0.0, 0.0, 0.0, 0.0, 2.07458186149597, 0.0, 0.0, 1.0, 1.12707018852234, , , 0.0, , 0.349179059267044, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 157.050003051758, 0.0240562614053488, 0.0, 0.0354054644703865, 108.0, , 0.0, , , 83.120002746582, 1.0, 1.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 191.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.155437618494034, , , , 2.62074136734009, 5.0, , , 7.48569059371948, , , , 0.0, , 0.0, , 15.4578638076782, , 13.9373016357422, 56.0, 481.136322021484, 0.0, 0.0, , 0.0, 5.92857313156128, , 18.7672996520996, 1.31556057929993, 542.975708007812, , 0.0, 3.07477331161499, 19.1552925109863, , 0.259686440229416, 0.0, 703.291687011719, , 0.0, 2.118079662323, , 17.0405712127686, 0.0, , 630.570190429688, 1.33477747440338, , 0.0322748608887196, 384.719879150391, 0.802576720714569, , 0.0, , 0.0, 0.0, 0.437486439943314, , 0.0, , , 0.160906478762627, 0.0, , 0.0395117923617363, 1.0, , 0.0, 
-InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2, 0.0, 0.0, , , , , 0.0, 1.0, 0.40824830532074 0.40824830532074, 0.111111111938953 0.111111111938953, , 0.433012694120407 0.433012694120407, 0.0962250456213951 0.0962250456213951, , 0.40824830532074 0.40824830532074, , 0.0, 0.0, 0.0740740746259689 0.0740740746259689, 0.0, 0.0, 5.0, 5.11288404464722, 0.0, , 0.0269772820174694, 5.14285707473755, 3.3938467502594, 0.0, , -0.00865923427045345, , 0.0, 2.34375, , 3.80735492706299, -0.00447217142209411, 0.288675129413605, , , 1.5, 2.74318218231201, , 0.0, 0.0, -0.000343292398611084, 0.0, , , 1.89384686946869, , 0.0, -1.39431194838835e-05, 0.0, 1.30671286582947, 0.0, 0.0, 0.0, 0.0, 0.901047587394714, 0.0, 0.0, 0.333333343267441, 0.20412415266037, , , 0.0, , 0.0, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 154.009994506836, 0.0320750139653683, 0.0, 0.0185185186564922, 45.0, , 0.0, , , 26.0200004577637, 0.0, 0.0, 0.25, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 42.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.102062076330185, , , , 6.08364343643188, 6.0, , , 3.04182171821594, , , , 0.0, , 0.0, , 7.35998821258545, , 7.16618537902832, 30.0, 300.981719970703, 0.0, 0.0, , 0.0, 3.96410155296326, , 8.33237075805664, 0.0, 311.011962890625, , 1.0, 2.19935870170593, 5.33237028121948, , 0.0962250456213951, 0.0, 344.347229003906, , 0.0, 1.41068363189697, , 1.16618525981903, 0.0, , 205.845489501953, 0.799572467803955, , 0.0, 34.5240516662598, 0.453038930892944, , 0.0, , 0.0, 0.0, 0.256600111722946, , 0.0, , , 0.0370370373129845, 0.0, , 0.0, 0.0, , 0.0, 
-InChI%3D1S%2FC7H10%2Fc1-2-7-4-3-6%281%295-7%2Fh1-2%2C6-7H%2C3-5H2, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.813052535057068 0.813052535057068, 0.620602428913116 0.620602428913116, 0.0, 1.20412409305573 1.20412409305573, 0.877664387226105 0.877664387226105, 0.0, 0.766032338142395 0.766032338142395, 0.0, 0.0, 0.0, 0.510688245296478 0.510688245296478, 0.0, 0.0, 2.0, 4.69023466110229, 0.0, 0.0, 0.00297404243610799, 3.9375, 3.44948983192444, 0.0, 0.0, 0.00018538095173426, 0.0, 0.0, 1.23966944217682, 0.0, 3.80735492706299, -0.00139288359787315, 0.40824830532074, 0.0, 0.0, 0.489795923233032, 3.1224536895752, 0.0, 0.0, 0.0, -0.000279518630122766, 0.0, 0.0, 0.0, 2.63299322128296, 0.0, 0.0, 0.0, 0.0, 2.17429327964783, 0.0, 0.0, 0.0, 3.0, 1.16666662693024, 0.0, 0.0, 0.5, 0.353553384542465, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.196418553590775, 0.0, 0.0, 282.0, 0.302749425172806, 0.0, 0.314269691705704, 40.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 2.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 36.0, 0.235702261328697, 0.0, 0.416666656732559, 2.0, 0.471404522657394, 0.0, 0.0, 0.0, 5.29611921310425, 3.0, 0.0, 0.0, 7.57858276367188, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.0, 0.0, 8.0, 38.0, 382.605682373047, 0.0, 2.0, 0.0, 0.0, 4.43072128295898, 0.0, 11.0, 0.0, 444.955505371094, 0.0, 0.0, 3.13299322128296, 2.0, 0.0, 0.333333343267441, 0.0, 598.815124511719, 0.0, 0.0, 2.71811199188232, 0.0, 0.0, 0.0, , 99.3172607421875, 2.16918921470642, 0.0, 0.0, 0.0, 1.7165778875351, 0.0, 0.0, 0.0, 0.0, 0.0, 0.827721059322357, 0.0, 0.0, 0.0, 0.0, 0.235702261328697, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H12N2.ClH%2Fc1-2-4-9%285-3-1%298-10-11-6-7-12-10%3B%2Fh1-5H%2C6-8H2%2C%28H%2C11%2C12%29%3B1H, 2.0, 0.5, , , , , 0.0, 1.0, 0.813052535057068 0.813052535057068, 0.346340209245682 0.346340209245682, , 1.27903914451599 1.27903914451599, 0.461838275194168 0.461838275194168, , 1.29040968418121 1.29040968418121, , 0.0, 0.0, 0.377529174089432 0.377529174089432, 0.0, 0.0, 11.0, 8.22576808929443, 0.0, , 0.149913445115089, 11.0769233703613, 5.94948959350586, 0.0, , -0.0812104940414429, , 1.0, 5.671875, , 4.70043992996216, -0.00811877008527517, 0.40824830532074, 0.0, , 3.32409977912903, 4.89022064208984, , 0.0, 0.0, 0.0126525918021798, 0.0, , , 3.86615633964539, , 0.0, 0.00149856740608811, 0.0, 3.14031171798706, 0.0, 0.0, 0.0, 3.0, 2.02062082290649, 0.0, 0.0, 999.0009765625, 1.08714663982391, , , 0.0, , 0.75, 5.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0559016987681389, , 0.0, 520.030029296875, 0.0716034844517708, 0.0, 0.0424446947872639, 230196192.0, , 0.0, , , 24.3899993896484, 0.0, 1.0, 0.999000012874603, 0.0, 0.5, 1.0, 1.0, , 0.0, 0.0, 0.0, , , 12000000000.0, 0.144337564706802, 0.0, 0.20412415266037, 0.0, 0.131094351410866, , 0.0, 0.0, 9.71689987182617, 6.0, , , 7.00166988372803, , 0.0, , 0.0, , 0.0, , 21.4327297210693, , 13.664740562439, 58.0, 669.868774414062, 0.0, 0.0, , 0.0, 8.18002986907959, , 17.0247287750244, 0.0, 732.821533203125, , 0.0, 4.26117849349976, 11.3323707580566, , 0.196908071637154, 0.0, 906.070861816406, , 0.0, 2.91756653785706, , 9.66474056243896, 0.0, , 648.724304199219, 1.95791816711426, , 0.0, 502.116668701172, 1.3545663356781, , 0.0, , 0.0, 0.0, 0.750187158584595, , 0.0, , , 0.364231884479523, 0.0, , 0.206922009587288, 1.0, 0.0, 0.0, 
-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, 3.0, 4.94145393371582, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.13647961616516 3.13647961616516, 2.21879625320435 2.21879625320435, 0.0, 4.97374963760376 4.97374963760376, 2.41852307319641 2.41852307319641, 0.0, 6.69922828674316 6.69922828674316, 0.0, 0.0, 0.0, 3.20628142356873 3.20628142356873, 0.0, 0.0, 23.0, 10.8783149719238, 0.0, 0.0, 0.38096958398819, 12.0714282989502, 6.48526954650879, 0.0, 0.0, -0.254723221063614, 0.0, 1.0, 4.67999982833862, 0.0, 4.80735492706299, 0.146929457783699, 1.20311808586121, 0.0, 0.0, 2.34319519996643, 5.87138605117798, 0.0, 0.0, 0.598408460617065, -0.106204174458981, 0.0, 0.0, 0.0, 5.03568744659424, 0.0, 1.31037068367004, 0.000318187871016562, 0.468478739261627, 3.69638276100159, 0.0, 4.97323322296143, 0.0, 1.0, 2.23277378082275, 0.0, 0.0, 0.75, 1.25990116596222, 0.0, 0.0, 0.0, 1.0, 0.475017875432968, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 779.049987792969, 0.0215165745466948, 0.0, 0.0946034938097, 142.0, 0.0, 0.0, 1.0, 0.0, 52.5699996948242, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 280.0, 0.0, 0.0, 0.0453609228134155, 0.0, 0.207632824778557, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 1.76976454257965, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 59.5270042419434, 0.0, 21.1477851867676, 68.0, 965.32421875, 0.0, 4.0, 0.0, 0.0, 10.2831439971924, 0.0, 34.4887542724609, 0.25, 1099.42736816406, 0.0, 0.0, 5.80563545227051, 52.6884498596191, 0.0, 0.861542940139771, 0.0, 1504.51257324219, 0.0, 0.0, 4.720055103302, 0.0, 34.456485748291, 0.0, , 1525.52685546875, 3.85517859458923, 0.0, 0.310364365577698, 1074.53637695312, 1.92071497440338, 0.0, 3.0, 0.0, 0.0, 0.0, 1.31177186965942, 1.0, 0.0, 0.0, 0.0, 0.671682357788086, 0.0, 0.0, 0.289488881826401, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H12O%2Fc1-6-4-5-7%282%299%2810%298%286%293%2Fh4-5%2C10H%2C1-3H3, 3.0, 3.96540641784668, , , , , 0.0, 4.0, 2.34109139442444 2.34109139442444, 1.00749111175537 1.00749111175537, , 2.75576376914978 2.75576376914978, 0.985879242420197 0.985879242420197, , 3.51055836677551 3.51055836677551, , 0.0, 0.0, 1.11300384998322 1.11300384998322, 0.0, 0.0, 14.0, 7.72361469268799, 0.0, , 0.0750824213027954, 8.10000038146973, 4.6258978843689, 0.0, , -0.0243325233459473, , 0.0, 2.93877553939819, , 4.32192802429199, -0.0111731989309192, 0.856304705142975, 0.0, , 1.55017304420471, 4.25015163421631, , 0.0, 0.766309440135956, -0.00199913000687957, 0.0, , , 3.70183181762695, , 2.18224716186523, -3.66034582839347e-05, 0.383276641368866, 2.08798956871033, 0.0, 5.7439980506897, 0.0, 0.0, 1.34559619426727, 0.0, 0.0, 0.666666686534882, 0.636894524097443, , , 0.0, , 0.16666667163372, 2.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 394.010009765625, 0.020833333954215, 0.0, 0.0718169510364532, 76.0, , 0.0, , , 20.2299995422363, 0.0, 3.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 109.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.222222223877907, , , , 1.0, 3.0, , , 4.29827976226807, , , , 0.0, , 0.0, , 10.7744693756104, , 10.3320922851562, 48.0, 540.327697753906, 0.0, 0.0, , 0.0, 6.6019139289856, , 14.6641836166382, 0.0, 596.320495605469, , 0.0, 3.38429045677185, 15.3283681869507, , 0.469576835632324, 0.0, 787.4267578125, , 0.0, 2.67296552658081, , 6.66418409347534, 0.0, , 686.011596679688, 1.9035667181015, , 0.13239449262619, 262.988006591797, 0.936448574066162, , 3.0, , 0.0, 0.0, 0.546936571598053, , 0.0, , , 0.203934460878372, 0.0, , 0.0394672341644764, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H9N%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5H%2C8H2%2C1H3, 1.0, 0.333333343267441, , , , , 0.0, 2.0, 0.816496610641479 0.816496610641479, 0.303561210632324 0.303561210632324, , 0.760079681873322 0.760079681873322, 0.239411175251007 0.239411175251007, , 1.13807117938995 1.13807117938995, , 0.0, 0.0, 0.286372244358063, 0.0, 0.0, 7.0, 5.98312759399414, 0.0, , 0.0269772820174694, 6.125, 3.78769373893738, 0.0, , -0.0086592398583889, , 0.0, 2.51999998092651, , 4.0, -0.00447222637012601, 0.577350258827209, , , 1.79999995231628, 3.3650438785553, , , 0.0, -0.000343370105838403, 0.0, , , 2.30453038215637, , 1.63299322128296, -1.36014486997738e-05, 0.0, 1.4267463684082, 0.0, 1.0, 0.0, 0.0, 1.30473780632019, 0.0, 0.0, 0.666666686534882, 0.333333343267441, , , 0.0, , 0.0, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 233.009994506836, 0.0277777779847383, 0.0, 0.0438152849674225, 58.0, , 0.0, , , 26.0200004577637, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 62.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, , , , 3.30192732810974, 5.0, , , 5.65685415267944, , , , 0.0, , 0.0, , 8.35998821258545, , 8.16618537902832, 36.0, 381.779815673828, 0.0, 0.0, , 0.0, 4.88675117492676, , 10.3323707580566, 0.0, 402.901947021484, , 1.0, 2.61004233360291, 7.33237028121948, , 0.262891709804535, 0.0, 478.589752197266, , 0.0, 1.91068363189697, , 2.16618514060974, 0.0, , 320.166900634766, 1.07735025882721, , 0.0, 85.6713714599609, 0.566452920436859, , 1.0, , 0.0, 0.0, 0.414672315120697, , 0.0, , , 0.087630569934845, 0.0, , 0.0, 0.0, , 0.0, 
-InChI%3D1S%2FC6H4N2O5%2Fc9-6-3-4%287%2810%2911%291-2-5%286%298%2812%2913%2Fh1-3%2C9H, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 2.486496925354 2.486496925354, 0.478860557079315 0.478860557079315, , 3.18600940704346 3.18600940704346, 0.469695717096329 0.469695717096329, , 3.51411080360413 3.51411080360413, , 0.0, 0.0, 0.408507853746414 0.408507853746414, 0.0, 0.0, 18.0, 10.0080718994141, 0.0, , 0.227711036801338, 11.0769233703613, 6.01974439620972, 0.0, , 0.0267421994358301, , 0.0, 4.48148155212402, , 4.70043992996216, -0.0448130033910275, 1.20511829853058, 0.0, , 2.72108840942383, 5.70230436325073, , 0.0, 0.0, -0.0838271901011467, 0.0, , , 4.07534074783325, , 0.0, -0.0265962667763233, 0.398974478244781, 3.05712747573853, 0.0, 0.0, 0.0, 0.0, 1.92928433418274, 0.0, 0.0, 0.75, 1.22185516357422, , , 0.0, , 0.868330419063568, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 133.070007324219, 0.0240562614053488, 0.0, 0.0322748608887196, 135.0, , 0.0, , , 111.870002746582, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 246.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.146608799695969, , , 0.0, 1.65096366405487, 6.0, , , 5.85380077362061, , , , 0.0, , 0.0, , 17.592321395874, , 15.8783264160156, 62.0, 470.041442871094, 0.0, 0.0, , 0.0, 6.20668458938599, , 22.2062301635742, 2.19557762145996, 534.813110351562, , 0.0, 3.13915109634399, 22.5391273498535, , 0.278170645236969, 0.0, 704.638000488281, , 0.0, 2.18723678588867, , 19.4236030578613, 0.0, , 640.5087890625, 1.36651206016541, , 0.0398475527763367, 394.561065673828, 0.779776215553284, , 0.0, , 0.0, 0.200000002980232, 0.430139660835266, , 0.0, , , 0.186881586909294, 0.0, , 0.0674854218959808, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC11H16O%2Fc1-4-11%282%2C3%299-5-7-10%2812%298-6-9%2Fh5-8%2C12H%2C4H2%2C1-3H3, 3.0, 0.333333343267441, , , , , 1.0, 2.0, 2.7505099773407 2.7505099773407, 1.81191372871399 1.81191372871399, , 2.99178075790405 2.99178075790405, 1.65470373630524 1.65470373630524, , 2.91074013710022 2.91074013710022, , 0.0, 0.0, 1.25146305561066 1.25146305561066, 0.0, 0.0, 16.0, 9.19023418426514, 0.0, , 0.0754449218511581, 10.0833330154419, 5.55967855453491, 0.0, , -0.0237379856407642, , 0.0, 3.80622839927673, , 4.58496236801147, -0.0129380654543638, 1.48348951339722, 0.0, , 2.49307489395142, 5.29893016815186, , 0.0, 1.14471423625946, -0.00100556970573962, 0.20412415266037, , , 4.03225803375244, , 4.72826290130615, -4.02414480049629e-05, 0.348461717367172, 2.33022928237915, 0.0, 1.72030651569366, 0.102062076330185, 1.0, 1.67552864551544, 0.0, 2.38110160827637, 0.75, 1.13807117938995, , , 0.0, , 0.426776707172394, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 1.0, 652.010009765625, 0.0277777779847383, 0.0, 0.0263114888221025, 124.0, , 0.0, , , 20.2299995422363, 0.0, 1.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 1.0, , , 195.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.125, , 0.0, 0.0, 4.25141477584839, 6.0, , , 6.01988220214844, , , , 0.0, , 2.44179677963257, , 12.7744693756104, , 12.3320922851562, 58.0, 709.911804199219, 0.0, 0.0, , 0.0, 7.96372127532959, , 17.6641845703125, 0.0, 787.698608398438, , 0.0, 4.3556342124939, 16.6641845703125, , 1.11497569084167, 0.0, 1051.29504394531, , 0.0, 3.78431081771851, , 10.3320922851562, 0.176776692271233, , 914.024597167969, 2.53266263008118, , 0.201184466481209, 539.443115234375, 1.11673879623413, , 3.0, , 0.0589255653321743, 0.0, 0.638523519039154, , 0.0, , , 0.342682182788849, 0.0, , 0.135570421814919, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H, 2.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.33333337306976 1.33333337306976, 1.94381725788116 1.94381725788116, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 5.154700756073, 0.0, 0.0, 0.20918470621109, 6.0, 2.64273452758789, 0.0, 0.0, -0.0697282329201698, 0.0, 0.0, 2.22222232818604, 0.0, 3.58496260643005, -0.104592353105545, 0.666666686534882, 0.0, 0.0, 3.0, 2.48803377151489, 0.0, 0.0, 0.0, 0.0697282329201698, 0.0, 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.0400009155273, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 29.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 36.8510131835938, 0.0, 12.8069496154785, 22.0, 362.415679931641, 0.0, 2.0, 0.0, 0.0, 5.69027423858643, 0.0, 29.2324562072754, 0.0, 350.808044433594, 0.0, 0.0, 2.95194792747498, 34.8510131835938, 0.0, 0.857142865657806, 0.0, 342.378082275391, 0.0, 0.0, 2.99647283554077, 0.0, 0.0, 0.0, , 172.777877807617, 1.71428573131561, 0.0, 0.551020383834839, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.0836360454559326, 3.0, 1.41421353816986, 0.0, 0.0, -0.0332380123436451, 0.0, 0.0, 2.0, 0.0, 2.58496260643005, -0.00858001224696636, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 58.0099983215332, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 3.77446913719177, 0.0, 2.33209204673767, 6.0, 46.7352104187012, 0.0, 0.0, 0.0, 0.0, 2.15432047843933, 0.0, 1.33209192752838, 0.0, 32.2418594360352, 0.0, 0.0, 1.02333450317383, 0.0, 0.0, 0.0, 0.0, 13.6452150344849, 0.0, 0.0, 0.31622776389122, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H4Cl3N%2Fc7-3-1-2-4%2810%296%289%295%283%298%2Fh1-2H%2C10H2, 0.0, 3.96540641784668, , , , , 0.0, 4.0, 2.34109139442444 2.34109139442444, 1.41554462909698 1.41554462909698, , 2.75576376914978 2.75576376914978, 1.46738290786743 1.46738290786743, , 3.51055836677551 3.51055836677551, , 0.0, 0.0, 1.54501390457153 1.54501390457153, 0.0, 0.0, 14.0, 7.72361469268799, 0.0, , 0.173531606793404, 8.10000038146973, 4.6258978843689, 0.0, , -0.0163367930799723, , 0.0, 2.93877553939819, , 4.32192802429199, -0.0884149819612503, 0.856304705142975, 0.0, , 1.55017304420471, 4.25015163421631, , 0.0, 0.0, -0.00515924394130707, 0.0, , , 3.70183181762695, , 0.0, 0.00207755388692021, 0.383276641368866, 2.08798956871033, 0.0, 0.0, 0.0, 0.0, 1.34559619426727, 0.0, 0.0, 0.666666686534882, 0.636894524097443, , , 0.0, 0.0, 0.16666667163372, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 106.040000915527, 0.020833333954215, 0.0, 0.0828964710235596, 76.0, , 0.0, , , 26.0200004577637, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 109.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.222222223877907, , 0.0, 0.0, 1.0, 6.0, , , 4.29827976226807, , 0.0, , 0.0, , 0.0, 0.0, 33.4982490539551, , 16.0213966369629, 48.0, 703.504028320312, 0.0, 0.0, 0.0, 0.0, 7.1337308883667, , 26.0427951812744, 0.0, 785.960632324219, , 1.0, 3.6501989364624, 43.9105758666992, , 0.530470132827759, 0.0, 1028.55419921875, , 0.0, 2.92770624160767, , 22.1764240264893, 0.0, , 877.180786132812, 2.37327098846436, , 0.220391139388084, 324.748901367188, 1.08358347415924, , 0.0, , 0.0, 0.0, 0.542503595352173, 0.0, 0.0, , , 0.246641606092453, 0.0, , 0.0672100484371185, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC11H8O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6H%2C1H3, 1.0, 6.08364343643188, , , , , 0.0, 2.0, 2.51141977310181 2.51141977310181, 0.807193577289581 0.807193577289581, , 3.88291001319885 3.88291001319885, 1.04036831855774 1.04036831855774, , 5.82933282852173 5.82933282852173, , 0.0, 0.0, 1.23700845241547 1.23700845241547, 0.0, 0.0, 21.0, 9.42228507995605, 0.0, , 0.242767244577408, 9.55102062225342, 6.19837713241577, 0.0, , -0.0599709786474705, , 3.0, 3.63000011444092, , 4.70043992996216, -0.00867341179400682, 0.936020135879517, 0.0, , 1.64609050750732, 5.66155290603638, , 0.0, 0.0, -0.0266432091593742, 0.0, , , 4.92224454879761, , 1.21097099781036, -0.112055756151676, 0.366430789232254, 3.94540333747864, 0.0, 2.12570738792419, 0.0, 0.0, 3.09712505340576, 0.0, 0.0, 1.0, 1.76591432094574, , , 0.0, , 0.999250411987305, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 328.019989013672, 0.0458199754357338, 0.0, 0.0813846960663795, 126.0, , 1.0, , , 34.1399993896484, 1.0, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 218.0, 0.0, 0.0, 0.128694251179695, 3.0, 0.296457827091217, , 0.0, 0.0, 4.50879764556885, 4.0, , , 10.5838384628296, , 0.0, , 0.0, , 0.0, , 14.5489377975464, , 14.6641836166382, 68.0, 786.099060058594, 0.0, 0.0, 0.0, 0.0, 7.20324802398682, , 21.3283672332764, 0.200000002980232, 920.991394042969, , 0.0, 4.06294870376587, 23.3246440887451, , 0.398631721735001, 0.0, 1287.29638671875, , 0.0, 3.06630897521973, , 17.3246440887451, 0.0, , 1231.669921875, 2.142906665802, , 0.0820378512144089, 759.052734375, 1.44834184646606, , 1.0, , 0.0, 0.0, 0.94621068239212, 0.0, 0.0, , , 0.456372708082199, 0.0, , 0.210962742567062, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H4N2O4%2Fc9-7%2810%295-1-2-6%284-3-5%298%2811%2912%2Fh1-4H, 0.0, 0.333333343267441, , , , , 0.0, 2.0, 2.0808801651001 2.0808801651001, 0.379914999008179 0.379914999008179, , 2.0483078956604 2.0483078956604, 0.32599276304245 0.32599276304245, , 1.94267082214355 1.94267082214355, , 0.0, 0.0, 0.261677622795105 0.261677622795105, 0.0, 0.0, 15.0, 9.13782787322998, 0.0, , 0.131192788481712, 10.0833330154419, 5.60906076431274, 0.0, , 0.017369456589222, , 0.0, 4.296875, , 4.58496236801147, -0.0254394002258778, 1.0, 0.0, , 2.77777767181396, 5.16289377212524, , 0.0, 0.0, 7.89133046055213e-05, 0.0, , , 3.70211458206177, , 0.0, -0.0232344791293144, 0.333333343267441, 2.47831320762634, 0.0, 0.0, 0.0, 0.0, 1.65307700634003, 0.0, 0.0, 0.75, 1.18122553825378, , , 0.0, , 0.829344630241394, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 124.059997558594, 0.0277777779847383, 0.0, 0.0248451996594667, 126.0, , 0.0, , , 91.6399993896484, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 206.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.0962250456213951, , , 0.0, 3.30192732810974, 6.0, , , 5.65685415267944, , , , 0.0, , 0.0, , 15.8178520202637, , 14.5462341308594, 56.0, 423.609893798828, 0.0, 0.0, , 0.0, 5.83682155609131, , 19.5420475006104, 1.30139529705048, 473.367034912109, , 0.0, 2.99887752532959, 18.321475982666, , 0.223606795072556, 0.0, 599.397521972656, , 0.0, 2.03061723709106, , 12.9891061782837, 0.0, , 512.763977050781, 1.27134621143341, , 0.0248451996594667, 282.708404541016, 0.696064651012421, , 0.0, , 0.0, 0.200000002980232, 0.407782405614853, , 0.0, , , 0.174396336078644, 0.0, , 0.0627942606806755, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC9H15NO6%2Fc1-4-14-7%2811%2910%288%2812%2915-5-2%299%2813%2916-6-3%2Fh4-6H2%2C1-3H3, 6.0, 1.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.88553214073181 1.88553214073181, 0.327790975570679 0.327790975570679, 0.0, 3.60926818847656 3.60926818847656, 0.409616678953171 0.409616678953171, 0.0, 3.96697902679443 3.96697902679443, 0.0, 0.0, 0.0, 0.378075480461121 0.378075480461121, 0.0, 0.75, 21.0, 12.5520420074463, 0.0, 0.0, 0.890281796455383, 16.0, 7.57811594009399, 0.0, 0.0, -0.734475255012512, 0.0, 3.0, 9.07407379150391, 0.0, 5.0, 0.798027396202087, 0.818217873573303, 0.0, 0.0, 5.77777767181396, 5.87522745132446, 0.0, 0.0, 0.375, -1.23931050300598, 0.0, 0.0, 0.0, 4.20324802398682, 0.0, 2.4594829082489, 1.15104699134827, 0.235702261328697, 3.62589764595032, 0.0, 2.13413596153259, 0.0, 3.0, 1.56294882297516, 0.0, 0.0, 1.0, 1.12993609905243, 0.0, 0.0, 0.0, 3.0, 0.288675129413605, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 660.070007324219, 0.0, 0.0, 0.0, 177.0, 0.0, 0.0, 0.0, 0.0, 82.1399993896484, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 456.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 2.83482241630554, 0.0, 1.0, 0.0, 0.0, , 0.0, 3.0, 21.0068016052246, 0.0, 18.4873828887939, 66.0, 588.899108886719, 0.0, 0.0, 0.0, 0.0, 9.51802349090576, 0.0, 24.6404800415039, 0.75, 621.6357421875, 0.0, 0.0, 4.88291120529175, 26.4799346923828, 0.0, 0.167705103754997, 2.83482241630554, 746.401611328125, 0.0, 0.0, 2.43217086791992, 0.0, 34.788459777832, 0.0, , 811.123657226562, 1.35116112232208, 0.0, 0.0279508493840694, 803.0888671875, 0.787681818008423, 0.0, 3.0, 0.0, 0.0, 0.0, 0.351763039827347, 0.0, 0.0, 0.0, 0.0, 0.18606473505497, 0.0, 0.0, 0.0559016987681389, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H15BrO%2Fc1-9%282%296-4-5-10%289%2C3%298%2812%297%286%2911%2Fh6-7H%2C4-5H2%2C1-3H3, 3.0, 2.38110160827637, 0.0, 0.0, 0.0, 0.0, 3.77976322174072, 0.0, 5.8305549621582 5.8305549621582, 5.27369070053101 5.27369070053101, 0.0, 9.18038749694824 9.18038749694824, 8.7316255569458 8.7316255569458, 0.0, 12.0092830657959 12.0092830657959, 0.0, 0.0, 0.0, 11.5798082351685 11.5798082351685, 0.0, 0.0, 23.0, 9.14626407623291, 0.0, 0.0, 0.156807482242584, 8.59171581268311, 5.41051912307739, 0.0, 0.0, -0.028880937024951, 0.0, 1.0, 2.07939505577087, 0.0, 4.58496236801147, -0.0642595514655113, 1.93161869049072, 0.0, 0.0, 0.734693884849548, 5.93211507797241, 0.0, 0.0, 1.14471423625946, 0.0177376549690962, 0.246399641036987, 0.0, 0.0, 5.80195760726929, 0.0, 2.13982629776001, -0.00300090503878891, 1.57189702987671, 4.22515392303467, 0.0, 3.43414282798767, 0.582085311412811, 2.0, 2.56346344947815, 0.0, 4.24264049530029, 0.333333343267441, 1.39059114456177, 0.0, 0.0, 0.0, 1.0, 0.55156683921814, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.113835453987122, 0.0, 2.0, 652.02001953125, 0.618691682815552, 0.0, 1.62499225139618, 87.0, 0.0, 0.0, 1.0, 0.0, 17.0699996948242, 0.0, 1.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 156.0, 0.120281308889389, 0.0, 0.656556189060211, 1.0, 1.70795953273773, 0.0, 0.0, 0.0, 1.0, 3.0, 0.0, 0.0, 2.94168281555176, 0.0, 0.0, 0.0, 0.0, , 2.37841415405273, 0.0, 56.0325584411621, 0.0, 18.9847679138184, 72.0, 1020.95574951172, 0.0, 2.0, 0.0, 0.0, 9.44112300872803, 0.0, 34.9695358276367, 0.0, 1272.05615234375, 0.0, 0.0, 5.51050281524658, 49.1483688354492, 0.0, 1.89839553833008, 0.0, 2093.296875, 0.0, 0.0, 5.95148086547852, 0.0, 30.6069774627686, 0.232725918292999, , 1635.01611328125, 5.50599527359009, 0.0, 1.35089671611786, 387.035797119141, 4.40672397613525, 0.0, 3.0, 0.0, 0.495471209287643, 0.0, 2.56693148612976, 0.0, 0.0, 0.0, 0.0, 1.38414108753204, 0.0, 0.0, 0.509052932262421, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H10Cl2O2%2Fc14-10-1-3-12%2816%298%286-10%295-9-7-11%2815%292-4-13%289%2917%2Fh1-4%2C6-7%2C16-17H%2C5H2, 0.0, 5.28649950027466, , , , , 0.0, 6.0, 2.69551730155945 2.69551730155945, 1.06082081794739 1.06082081794739, , 3.45888185501099 3.45888185501099, 1.2750768661499 1.2750768661499, , 5.30639123916626 5.30639123916626, , 0.0, 0.0, 1.54211413860321 1.54211413860321, 0.0, 0.0, 24.0, 12.4138488769531, 0.0, , 0.231458872556686, 13.4320983886719, 8.05855083465576, 0.0, , -0.0681570693850517, , 0.0, 5.76000022888184, , 5.08746290206909, -0.00966802425682545, 1.3820880651474, 0.0, , 3.48444437980652, 7.54687786102295, , 0.0, 0.0, 0.00286167883314192, 0.0, , , 5.85482692718506, , 0.0, -0.0741478651762009, 0.235702261328697, 4.34612703323364, 0.0, 0.0, 0.0, 1.0, 3.84638571739197, 0.0, 0.0, 1.0, 2.10235977172852, , , 0.0, 0.0, 1.15802001953125, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 512.039978027344, 0.0481125228106976, 0.0, 0.110091738402843, 230.0, , 0.0, , , 40.4599990844727, 0.0, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 520.0, 0.0, 0.0, 0.136082768440247, 0.0, 0.368390560150146, , 0.0, 0.0, 6.12024211883545, 11.0, , , 16.2881202697754, , 0.0, , 0.0, , 0.0, 0.0, 33.9744453430176, , 22.5676593780518, 86.0, 1132.21166992188, 0.0, 0.0, 0.0, 0.0, 10.3334226608276, , 34.1353187561035, 0.16666667163372, 1292.93566894531, , 0.0, 5.76428174972534, 33.7994995117188, , 0.711188077926636, 0.0, 1726.32922363281, , 0.0, 4.59571695327759, , 27.1353168487549, 0.0, , 1621.61083984375, 2.93417930603027, , 0.0527046285569668, 1218.66540527344, 1.98592627048492, , 0.0, , 0.0, 0.0, 1.38129711151123, 2.0, 0.0, , , 0.715536236763, 0.0, , 0.338123261928558, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC9H20O%2Fc1-2-3-4-5-6-7-8-9-10%2Fh10H%2C2-9H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 7.0, 7.65685415267944, 0.0, 0.0, 0.0834003686904907, 10.0, 4.91421365737915, 0.0, 0.0, -0.0336307436227798, 0.0, 0.0, 9.0, 0.0, 4.32192802429199, -0.00744553282856941, 0.0, 0.0, 0.0, 9.14285755157471, 3.12132024765015, 0.0, 0.0, 0.0, -0.000603174732532352, 0.0, 0.0, 0.0, 1.95710682868958, 0.0, 2.12520051002502, -2.04328189283842e-05, 0.0, 1.20710682868958, 0.0, 0.0, 0.0, 8.0, 0.728553414344788, 0.0, 0.0, 0.800000011920929, 0.426776707172394, 0.0, 0.0, 0.0, 0.0, 0.239276692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 751.010009765625, 0.0, 0.0, 0.0, 122.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 165.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.2405834197998, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 10.7744693756104, 0.0, 9.33209228515625, 34.0, 416.454711914062, 0.0, 0.0, 0.0, 0.0, 7.1040678024292, 0.0, 8.33209228515625, 0.0, 392.544250488281, 0.0, 0.0, 4.52333450317383, 7.33209180831909, 0.0, 0.0, 0.0, 352.529296875, 0.0, 0.0, 2.84492707252502, 0.0, 6.33209180831909, 0.0, , 303.955413818359, 1.76166725158691, 0.0, 0.0, 251.611511230469, 1.06891012191772, 0.0, 1.0, 0.0, 0.0, 0.0, 0.630833625793457, 1.0, 0.0, 0.0, 0.0, 0.357678383588791, 0.0, 0.0, 0.190416812896729, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H12O2%2Fc1-4-7%288%299-5-6%282%293%2Fh4%2C6H%2C1%2C5H2%2C2-3H3, 3.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.781474411487579 0.781474411487579, 0.234708055853844 0.234708055853844, 0.0, 0.488641947507858 0.488641947507858, 0.127031445503235 0.127031445503235, 0.0, 0.638071179389954 0.638071179389954, 0.0, 0.0, 0.0, 0.135305806994438 0.135305806994438, 0.0, 0.0, 7.0, 7.27602100372314, 0.0, 0.0, 0.272491365671158, 9.0, 4.16390228271484, 0.0, 0.0, -0.18455383181572, 0.0, 1.0, 4.83950614929199, 0.0, 4.16992521286011, 0.077339380979538, 0.696923434734344, 0.0, 0.0, 5.87755107879639, 3.48461723327637, 0.0, 0.0, 0.721124768257141, -0.0248608682304621, 0.0, 0.0, 0.0, 1.93373966217041, 0.0, 2.21041893959045, -0.00335005484521389, 0.0, 0.821975290775299, 0.0, 2.57512259483337, 0.0, 1.0, 0.686886727809906, 0.0, 0.0, 1.0, 0.235702261328697, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 328.019989013672, 0.0, 0.0, 0.0, 74.0, 0.0, 0.0, 0.0, 0.0, 26.2999992370605, 1.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 104.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 2.37841415405273, 0.0, 0.0, 0.0, 1.0, , 0.0, 1.0, 10.5489377975464, 0.0, 8.99627590179443, 34.0, 322.956390380859, 0.0, 1.0, 0.0, 0.0, 5.88541078567505, 0.0, 10.7707452774048, 0.0, 311.298675537109, 0.0, 0.0, 2.95679569244385, 8.66045951843262, 0.0, 0.456360816955566, 0.5, 320.116241455078, 0.0, 0.0, 2.22801089286804, 0.0, 5.33209180831909, 0.0, , 240.626846313477, 0.725592255592346, 0.0, 0.0, 179.935165405273, 0.307725459337234, 0.0, 2.0, 0.0, 0.0, 0.0, 0.198287114500999, 0.0, 0.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H16O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7H%2C4-6H2%2C1-3H3, 3.0, 0.5, 0.0, 0.0, 0.0, 0.0, 2.82842707633972, 0.0, 5.36296319961548 5.36296319961548, 4.49470043182373 4.49470043182373, 0.0, 7.61985778808594 7.61985778808594, 5.87306785583496 5.87306785583496, 0.0, 8.86732292175293 8.86732292175293, 0.0, 0.0, 0.0, 6.15604639053345 6.15604639053345, 0.0, 0.0, 19.0, 8.27602100372314, 0.0, 0.0, 0.118140250444412, 7.63888883590698, 4.98299884796143, 0.0, 0.0, -0.0253007356077433, 0.0, 1.0, 1.83673465251923, 0.0, 4.45943164825439, -0.0258152820169926, 1.80311250686646, 0.0, 0.0, 0.665972948074341, 5.51150321960449, 0.0, 0.0, 1.14471423625946, -0.00740462262183428, 0.246399641036987, 0.0, 0.0, 5.23045110702515, 0.0, 3.13824582099915, -0.000549483462236822, 1.51906180381775, 3.60421967506409, 0.0, 2.44948983192444, 0.608571767807007, 3.0, 2.29124045372009, 0.0, 4.24264049530029, 1.0, 1.21065533161163, 0.0, 0.0, 0.0, 1.0, 0.436886727809906, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.123199820518494, 0.0, 2.0, 674.010009765625, 0.600748062133789, 0.0, 1.23013472557068, 73.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 123.0, 0.131094351410866, 0.0, 0.687165200710297, 1.0, 1.57670629024506, 0.0, 0.0, 0.0, 1.65096366405487, 3.0, 0.0, 0.0, 3.96540641784668, 0.0, 0.0, 0.0, 0.0, , 3.36738610267639, 0.0, 11.7744693756104, 0.0, 12.3320922851562, 66.0, 759.186584472656, 0.0, 1.0, 0.0, 0.0, 7.6069188117981, 0.0, 21.6641845703125, 0.0, 940.187744140625, 0.0, 0.0, 4.51640272140503, 20.3283672332764, 0.0, 1.61079835891724, 0.0, 1532.88305664062, 0.0, 0.0, 4.91669368743896, 0.0, 3.99627590179443, 0.232725918292999, , 1069.21020507812, 4.48276376724243, 0.0, 1.24199485778809, 112.637977600098, 2.90146565437317, 0.0, 3.0, 0.0, 0.513396620750427, 0.0, 1.75514721870422, 0.0, 0.0, 0.0, 0.0, 0.926817417144775, 0.0, 0.0, 0.275253593921661, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H5NO3%2Fc9-5-6-1-3-7%284-2-6%298%2810%2911%2Fh1-5H, 0.0, 0.333333343267441, , , , , 0.0, 2.0, 1.53323936462402 1.53323936462402, 0.340352326631546 0.340352326631546, , 1.58155786991119 1.58155786991119, 0.295987874269485 0.295987874269485, , 1.48758697509766 1.48758697509766, , 0.0, 0.0, 0.248114690184593 0.248114690184593, 0.0, 0.0, 13.0, 8.26758480072021, 0.0, , 0.196337163448334, 9.09090900421143, 5.23638200759888, 0.0, , -0.0373060740530491, , 0.0, 4.13265323638916, , 4.45943164825439, -0.0308825224637985, 0.70412415266037, , , 2.5, 4.43307065963745, , 0.0, 0.0, 0.0028514452278614, 0.0, , , 3.41157078742981, , 0.0, 0.0136005776003003, 0.16666667163372, 2.26314687728882, 0.0, 0.0, 0.0, 0.0, 1.55943465232849, 0.0, 0.0, 0.75, 1.06115663051605, , , 0.0, , 0.582466721534729, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 146.039993286133, 0.0277777779847383, 0.0, 0.0284601077437401, 113.0, , 0.0, , , 62.8899993896484, 1.0, 1.0, 0.428571432828903, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 162.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.107038088142872, , , , 4.88359355926514, 5.0, , , 6.59753942489624, , , , 0.0, , 0.0, , 13.6833953857422, , 12.6052093505859, 50.0, 428.495727539062, 0.0, 0.0, , 0.0, 5.55870962142944, , 16.1031150817871, 0.650697648525238, 472.4013671875, , 0.0, 2.93449974060059, 15.3249225616455, , 0.208028450608253, 0.0, 582.686279296875, , 0.0, 1.96649312973022, , 10.1587371826172, 0.0, , 482.127716064453, 1.23998939990997, , 0.0124225998297334, 244.188049316406, 0.674605369567871, , 0.0, , 0.0, 0.0, 0.408430278301239, , 0.0, , , 0.167441725730896, 0.0, , 0.047724973410368, 1.0, , 0.0, 
-InChI%3D1S%2FC7H6BrNO%2Fc8-6-3-1-2-5%284-6%297%289%2910%2Fh1-4H%2C%28H2%2C9%2C10%29, 0.0, 1.65096366405487, , , , , 0.0, 2.0, 1.38960480690002 1.38960480690002, 0.585909008979797 0.585909008979797, , 1.52280783653259 1.52280783653259, 0.657456278800964, , 1.98179233074188 1.98179233074188, , 0.0, 0.0, 0.691475987434387, 0.0, 0.0, 11.0, 7.56047773361206, 0.0, , 0.120949521660805, 8.10000038146973, 4.69837713241577, 0.0, , -0.0525766164064407, , 1.0, 3.40828394889832, , 4.32192802429199, 0.00954244844615459, 0.788675129413605, , , 2.28571438789368, 4.27587413787842, , , 0.0, 0.00168076355475932, 0.0, , , 2.91976571083069, , 0.0, -0.0527226664125919, 0.16666667163372, 2.08652830123901, 0.0, 0.0, 0.0, 0.0, 1.57210290431976, 0.0, 0.0, 0.666666686534882, 0.603098630905151, , , 0.0, , 0.328532844781876, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 166.029998779297, 0.0277777779847383, 0.0, 0.0684433579444885, 80.0, , 0.0, , , 44.0800018310547, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 117.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, , , , 3.53277564048767, 5.0, , , 6.4474196434021, , , , 0.0, , 0.0, , 54.3925476074219, , 16.1509532928467, 46.0, 597.243713378906, 0.0, 0.0, , 0.0, 6.72057580947876, , 25.3570938110352, 0.0, 648.301635742188, , , 3.52695441246033, 23.3019046783447, , 0.466561853885651, 0.0, 795.302795410156, , 0.0, 2.77462959289551, , 19.3019046783447, 0.0, , 632.570495605469, 1.59130620956421, , 0.0186339002102613, 346.881408691406, 1.03501641750336, , 0.0, , 0.0, 0.0, 0.623056411743164, , 0.0, , , 0.229705110192299, 0.0, , 0.0710631236433983, 1.0, , 0.0, 
-InChI%3D1S%2FC3H10N2%2Fc1-3%285%292-4%2Fh3H%2C2%2C4-5H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.136082768440247 0.136082768440247, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.333333343267441, 0.0 0.0, 0.0, 0.0, 2.0, 4.28445720672607, 0.0, 0.0, 0.0633089244365692, 5.0, 2.27005553245544, 0.0, 0.0, -0.0145403733476996, 0.0, 0.0, 2.25, 0.0, 3.32192802429199, -0.031295120716095, 0.40824830532074, 0.0, 0.0, 4.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.01418103184551, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 176.020004272461, 0.0, 0.0, 0.0, 19.0, 0.0, 0.0, 0.0, 0.0, 52.0400009155273, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.71997594833374, 0.0, 4.33237028121948, 16.0, 159.586837768555, 0.0, 1.0, 0.0, 0.0, 3.43915748596191, 0.0, 4.4985556602478, 0.0, 140.715438842773, 0.0, 2.0, 1.72718024253845, 2.52617335319519, 0.0, 0.235702261328697, 0.0, 122.448280334473, 0.0, 0.0, 1.21298611164093, 0.0, 0.0, 0.0, , 49.0043754577637, 0.371785014867783, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H8BrNO%2Fc13-11-5-3-9%284-6-11%2912%2815%2910-2-1-7-14-8-10%2Fh1-8H, 2.0, 2.70160007476807, , , , , 0.0, 3.0, 1.94976723194122 1.94976723194122, 0.828795671463013 0.828795671463013, , 2.63499188423157 2.63499188423157, 0.838208794593811 0.838208794593811, , 3.47251176834106 3.47251176834106, , 0.0, 0.0, 0.957011818885803 0.957011818885803, 0.0, 0.0, 20.0, 10.6733617782593, 0.0, , 0.212598398327827, 11.484375, 7.2708568572998, 0.0, , -0.062133327126503, , 1.0, 5.36507940292358, , 4.90689039230347, -0.0262053851038218, 0.814458549022675, 0.0, , 2.98224854469299, 6.27715873718262, , 0.0, 0.0, -0.0441471897065639, 0.0, , , 5.1974835395813, , 0.0, 0.0602943673729897, 0.19245009124279, 3.85649681091309, 0.0, 0.0, 0.0, 0.0, 3.06295156478882, 0.0, 0.0, 0.800000011920929, 1.70388090610504, , , 0.0, , 0.989195704460144, 8.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 366.029998779297, 0.0526229776442051, 0.0, 0.0808659642934799, 217.0, , 0.0, , , 29.9599990844727, 0.0, 2.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 378.0, 0.0, 0.0, 0.185395404696465, 1.0, 0.190371423959732, , 1.0, 0.0, 8.60926532745361, 7.0, , , 12.6136083602905, , 0.0, , 0.0, , 0.0, , 59.3925476074219, , 22.317138671875, 74.0, 968.427490234375, 0.0, 0.0, , 0.0, 9.43822479248047, , 33.3019065856934, 0.0, 1087.80200195312, , 0.0, 5.26788663864136, 32.9660911560059, , 0.545024514198303, 0.0, 1398.47412109375, , 0.0, 3.99339318275452, , 22.3686027526855, 0.0, , 1271.66345214844, 2.5588014125824, , 0.0340206921100616, 922.181335449219, 1.52933609485626, , 0.0, , 0.0, 0.0, 1.09436845779419, , 0.0, , , 0.539863049983978, 0.0, , 0.248016104102135, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H5ClO%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C8H, 0.0, 1.0, , , , , 0.0, 2.0, 1.13807117938995 1.13807117938995, 0.409902840852737 0.409902840852737, , 1.04044008255005 1.04044008255005, 0.312728554010391 0.312728554010391, , 1.13807117938995 1.13807117938995, , 0.0, 0.0, 0.273268550634384 0.273268550634384, 0.0, 0.0, 8.0, 5.98312759399414, 0.0, , 0.126828342676163, 6.125, 3.80453038215637, 0.0, , -0.0265416540205479, , 0.0, 2.51999998092651, , 4.0, -0.0606669150292873, 0.471404522657394, 0.0, , 1.48760330677032, 3.23902487754822, , 0.0, 0.0, 0.0247080679982901, 0.0, , , 2.54033637046814, , 0.0, -0.000913667725399137, 0.16666667163372, 1.50166130065918, 0.0, 0.0, 0.0, 0.0, 1.02437734603882, 0.0, 0.0, 0.333333343267441, 0.333333343267441, , , 0.0, , 0.0833333358168602, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 113.019996643066, 0.0277777779847383, 0.0, 0.043919637799263, 54.0, , 0.0, , , 20.2299995422363, 0.0, 0.0, 0.25, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 60.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, , , , 3.96540641784668, 6.0, , , 4.29827976226807, , , , 0.0, , 0.0, , 16.4872226715088, , 10.2838296890259, 36.0, 384.353973388672, 0.0, 0.0, , 0.0, 4.89050817489624, , 14.5676584243774, 0.0, 410.83740234375, , 0.0, 2.61790370941162, 15.49964427948, , 0.228213146328926, 0.0, 487.641052246094, , 0.0, 1.85861170291901, , 4.28382921218872, 0.0, , 343.093627929688, 1.17206525802612, , 0.0422577112913132, 74.1790618896484, 0.587462186813354, , 0.0, , 0.0, 0.0, 0.330576986074448, , 0.0, , , 0.087839275598526, 0.0, , 0.0140859046950936, 0.0, , 0.0, 
-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, 4.0, 3.96540641784668, , , , , 0.0, 2.0, 1.94548285007477 1.94548285007477, 0.505391359329224 0.505391359329224, , 3.09814167022705 3.09814167022705, 0.659422278404236 0.659422278404236, , 4.37448453903198 4.37448453903198, , 0.0, 0.0, 0.714704036712646 0.714704036712646, 0.0, 0.200000002980232, 26.0, 14.7946825027466, 0.0, , 0.536539912223816, 18.0499992370605, 9.70190715789795, 0.0, , -0.324921071529388, , 2.0, 10.6875, , 5.32192802429199, 0.174015462398529, 0.743570029735565, 0.0, , 6.54934597015381, 7.55829763412476, , 0.0, 0.0769230797886848, -0.0762209370732307, 0.0, , , 5.86270046234131, , 3.55308365821838, -0.297149538993835, 0.248005643486977, 4.46201848983765, 0.0, 1.24957597255707, 0.0, 6.0, 3.31807971000671, 0.0, 0.0, 0.857142865657806, 2.07509207725525, , , 0.0, , 1.24196720123291, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1384.0400390625, 0.0277777779847383, 0.0, 0.0277777779847383, 370.0, , 0.0, , , 52.5999984741211, 0.0, 2.0, 0.461538463830948, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 912.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.0962250456213951, , 0.0, 0.0, 10.3424243927002, 8.0, , , 11.9466505050659, , 0.0, , 0.0, , 0.0, , 23.0978755950928, , 21.9925518035889, 88.0, 1005.46380615234, 0.0, 0.0, , 0.0, 12.1850347518921, , 27.5414905548096, 0.200000002980232, 1093.39733886719, , 0.0, 7.13541078567505, 29.9851036071777, , 0.227670907974243, 1.26491105556488, 1343.42150878906, , 0.0, 4.52452898025513, , 31.3134708404541, 0.0, , 1391.48449707031, 2.82898664474487, , 0.0448895953595638, 1276.85510253906, 1.61302578449249, , 2.0, , 0.0, 0.0, 0.969862282276154, , 0.0, , , 0.51934140920639, 0.0, , 0.285608470439911, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC10H15N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh5-9H%2C3-4H2%2C1-2H3, 4.0, 0.0, , , , , 0.0, 1.0, 1.04044008255005 1.04044008255005, 0.544181823730469 0.544181823730469, , 1.62377345561981 1.62377345561981, 0.746198892593384 0.746198892593384, , 1.54044008255005 1.54044008255005, , 0.0, 0.0, 0.55903959274292 0.55903959274292, 0.0, 0.0, 13.0, 8.10444831848145, 0.0, , 0.0899687558412552, 9.09090900421143, 5.380539894104, 0.0, , -0.0506680272519588, , 0.0, 4.79289960861206, , 4.45943164825439, -0.00511300191283226, 0.333333343267441, 0.0, , 2.5, 3.97466635704041, , 0.0, 0.25, 0.00875420309603214, 0.0, , , 3.36525130271912, , 3.93623065948486, 0.001922179129906, 0.0833333358168602, 2.5609130859375, 0.0, 0.666666686534882, 0.0, 2.0, 1.58377695083618, 0.0, 0.0, 1.0, 0.686886727809906, , , 0.0, , 0.402368932962418, 5.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 566.010009765625, 0.0320750139653683, 0.0, 0.0143443830311298, 101.0, , 0.0, , , 3.24000000953674, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 158.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0589255653321743, , 0.0, 0.0, 8.56995296478271, 6.0, , , 4.02643537521362, , 1.0, , 0.0, , 0.0, , 11.3599882125854, , 11.498556137085, 48.0, 606.977294921875, 0.0, 0.0, , 0.0, 7.24817848205566, , 13.664740562439, 0.0, 650.386352539062, , 0.0, 4.18095970153809, 13.3323707580566, , 0.186338990926743, 0.0, 780.302124023438, , 0.0, 2.50783920288086, , 10.1661853790283, 0.0, , 718.714538574219, 1.88478338718414, , 0.0372678004205227, 477.829650878906, 1.22756779193878, , 2.0, , 0.0, 0.0, 0.574675142765045, , 0.0, , , 0.220677733421326, 0.0, , 0.110844880342484, 0.0, 0.0, 0.0, 
-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, 4.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.816496610641479 0.816496610641479, 0.12359693646431 0.12359693646431, 0.0, 0.813052535057068 0.813052535057068, 0.115174010396004 0.115174010396004, 0.0, 0.977283895015717 0.977283895015717, 0.0, 0.0, 0.0, 0.104120783507824 0.104120783507824, 0.0, 0.200000002980232, 15.0, 12.2257680892944, 0.0, 0.0, 0.547123789787292, 16.0, 7.70190715789795, 0.0, 0.0, -0.360617637634277, 0.0, 2.0, 11.484375, 0.0, 5.0, 0.186753869056702, 0.577350258827209, 0.0, 0.0, 11.324444770813, 5.77925729751587, 0.0, 0.0, 0.0769230797886848, -0.0341979824006557, 0.0, 0.0, 0.0, 3.75321888923645, 0.0, 3.26492476463318, -0.317960739135742, 0.0, 2.34330940246582, 0.0, 0.63245552778244, 0.0, 6.0, 1.63796746730804, 0.0, 0.0, 0.857142865657806, 1.03950572013855, 0.0, 0.0, 0.0, 2.0, 0.47052201628685, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 985.039978027344, 0.0, 0.0, 0.0, 288.0, 0.0, 0.0, 0.0, 0.0, 52.5999984741211, 2.0, 0.0, 0.461538463830948, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 590.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 6.99169063568115, 4.0, 0.0, 0.0, 5.05460739135742, 0.0, 0.0, 0.0, 0.0, , 0.0, 2.0, 19.0978755950928, 0.0, 16.9925518035889, 62.0, 628.878173828125, 0.0, 0.0, 0.0, 0.0, 10.0303344726562, 0.0, 19.5414905548096, 0.200000002980232, 623.559692382812, 0.0, 0.0, 5.71874380111694, 17.6567363739014, 0.0, 0.0962250456213951, 1.26491105556488, 643.445922851562, 0.0, 0.0, 3.3754346370697, 0.0, 16.6567363739014, 0.0, , 599.980285644531, 1.83992266654968, 0.0, 0.0, 552.829406738281, 0.866504967212677, 0.0, 2.0, 0.0, 0.0, 0.0, 0.458305925130844, 0.0, 0.0, 0.0, 0.0, 0.263675808906555, 0.0, 0.0, 0.106891006231308, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H4ClNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H, 2.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 1.13807117938995 1.13807117938995, 0.342407494783401 0.342407494783401, 0.0, 1.04044008255005 1.04044008255005, 0.256613433361053 0.256613433361053, 0.0, 1.13807117938995 1.13807117938995, 0.0, 0.0, 0.0, 0.217172205448151 0.217172205448151, 0.0, 0.0, 8.0, 5.98312759399414, 0.0, 0.0, 0.198529660701752, 6.125, 3.80453038215637, 0.0, 0.0, -0.0806084275245667, 0.0, 0.0, 2.51999998092651, 0.0, 4.0, -0.0610317252576351, 0.471404522657394, 0.0, 0.0, 1.48760330677032, 3.23902487754822, 0.0, 0.0, 0.0, 0.0654327645897865, 0.0, 0.0, 0.0, 2.54033637046814, 0.0, 0.0, -0.0230574384331703, 0.16666667163372, 1.50166130065918, 0.0, 0.0, 0.0, 0.0, 1.02437734603882, 0.0, 0.0, 0.333333343267441, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0833333358168602, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 88.0299987792969, 0.0215165745466948, 0.0, 0.0340200066566467, 54.0, 0.0, 0.0, 0.0, 0.0, 33.1199989318848, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 60.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, 0.0, 1.0, 0.0, 2.38110160827637, 3.0, 0.0, 0.0, 2.94168281555176, 1.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 16.8472099304199, 0.0, 10.6161994934082, 36.0, 358.554626464844, 0.0, 0.0, 0.0, 0.0, 4.76037120819092, 0.0, 15.3905649185181, 0.0, 383.054168701172, 0.0, 0.0, 2.47770094871521, 15.8872041702271, 0.0, 0.191322863101959, 0.0, 455.068756103516, 0.0, 0.0, 1.67135083675385, 0.0, 4.28382921218872, 0.0, , 321.199066162109, 1.0306168794632, 0.0, 0.0327326841652393, 69.921630859375, 0.496889412403107, 0.0, 0.0, 0.0, 0.0, 0.0, 0.268360584974289, 1.0, 0.0, 0.0, 0.0, 0.0680400133132935, 0.0, 0.0, 0.0109108947217464, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H29N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14%2Fh2-14H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 11.0, 10.4852809906006, 0.0, 0.0, 0.0296331718564034, 14.0, 6.91421365737915, 0.0, 0.0, -0.0120891109108925, 0.0, 0.0, 13.0, 0.0, 4.80735492706299, -0.00252518872730434, 0.0, 0.0, 0.0, 13.0909090042114, 4.5355339050293, 0.0, 0.0, 0.0, -0.000196016044355929, 0.0, 0.0, 0.0, 2.95710682868958, 0.0, 2.26892328262329, -6.19201682638959e-06, 0.0, 1.91421353816986, 0.0, 0.0, 0.0, 12.0, 1.22855341434479, 0.0, 0.0, 0.857142865657806, 0.780330061912537, 0.0, 0.0, 0.0, 0.0, 0.489276707172394, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1582.01000976562, 0.0, 0.0, 0.0, 254.0, 0.0, 0.0, 0.0, 0.0, 26.0200004577637, 0.0, 0.0, 0.461538463830948, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 455.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.1782283782959, 11.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 14.3599882125854, 0.0, 13.1661853790283, 50.0, 672.7998046875, 0.0, 0.0, 0.0, 0.0, 10.0626316070557, 0.0, 12.1661853790283, 0.0, 645.845764160156, 0.0, 1.0, 6.61535501480103, 11.1661853790283, 0.0, 0.0, 0.0, 603.118774414062, 0.0, 0.0, 4.32420921325684, 0.0, 10.1661853790283, 0.0, , 552.595642089844, 2.80767750740051, 0.0, 0.0, 498.20947265625, 1.80855107307434, 0.0, 1.0, 0.0, 0.0, 0.0, 1.15383875370026, 0.0, 0.0, 0.0, 0.0, 0.727498888969421, 0.0, 0.0, 0.451919376850128, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H10N2O3%2Fc1-2-13-6-3-4-7%289%298%285-6%2910%2811%2912%2Fh3-5H%2C2%2C9H2%2C1H3, 2.0, 1.65096366405487, , , , , 0.0, 3.0, 1.88713550567627 1.88713550567627, 0.454575330018997 0.454575330018997, , 2.71081566810608 2.71081566810608, 0.509370684623718 0.509370684623718, , 3.3209023475647 3.3209023475647, , 0.0, 0.0, 0.484732776880264 0.484732776880264, 0.0, 0.0, 17.0, 9.84493541717529, 0.333333343267441, , 0.269734919071198, 11.0769233703613, 6.14706563949585, 0.0, , -0.0573972910642624, , 0.0, 5.02422142028809, , 4.70043992996216, -0.0400949828326702, 0.909242510795593, 0.0, , 3.0, 5.35290861129761, , 0.0, 0.0, -0.0959697291254997, 0.0, , , 3.91988563537598, , 1.33748066425323, -0.038511835038662, 0.232307806611061, 3.04739737510681, 0.0, 0.669432938098907, 0.0, 1.0, 2.15503549575806, 0.0, 0.0, 0.75, 1.20045137405396, , , 0.0, , 0.754487633705139, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 373.049987792969, 0.0240562614053488, 0.0, 0.0344681032001972, 141.0, , 0.0, , , 81.0699996948242, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 250.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.155437618494034, , , , 2.44948983192444, 6.0, , , 6.39105892181396, , , , 0.0, , 0.0, , 16.0433826446533, , 15.1034860610962, 60.0, 569.604309082031, 0.0, 0.0, , 0.0, 7.18846654891968, , 20.0996704101562, 0.5, 631.015258789062, , 1.0, 3.8153703212738, 20.0172805786133, , 0.253192245960236, 0.400000005960464, 809.54248046875, , 0.0, 2.41074442863464, , 17.6532287597656, 0.0, , 750.838500976562, 1.50960218906403, , 0.0322748608887196, 511.282897949219, 0.938047885894775, , 1.0, , 0.0, 0.0, 0.542672276496887, , 0.0, , , 0.23803748190403, 0.0, , 0.114446640014648, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC3H8O%2Fc1-3%282%294%2Fh3-4H%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.0758592486381531, 4.0, 1.73205077648163, 0.0, 0.0, -0.0231238286942244, 0.0, 0.0, 1.33333337306976, 0.0, 3.0, -0.0148057965561748, 0.577350258827209, 0.0, 0.0, , 1.73205077648163, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 109.01000213623, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 4.77446889877319, 0.0, 3.33209204673767, 12.0, 91.7702560424805, 0.0, 1.0, 0.0, 0.0, 3.02456378936768, 0.0, 3.66418385505676, 0.0, 75.1184463500977, 0.0, 0.0, 1.41289937496185, 0.0, 0.0, 0.258198887109756, 0.0, 59.8290748596191, 0.0, 0.0, 1.09374809265137, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H27N%2Fc1-3-5-7-9-11-13-12-10-8-6-4-2%2Fh13H%2C3-12H2%2C1-2H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 10.0, 9.77817440032959, 0.0, 0.0, 0.0639917030930519, 13.0, 6.41421365737915, 0.0, 0.0, -0.0352888740599155, 0.0, 0.0, 12.0, 0.0, 4.70043992996216, -7.01408644090407e-05, 0.0, 0.0, 0.0, 12.0, 4.1819806098938, 0.0, 0.0, 0.0833333358168602, 0.00270004174672067, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 4.15651702880859, 0.000595284102018923, 0.0, 1.73743689060211, 0.0, 0.0, 0.0, 10.0, 1.10355341434479, 0.0, 0.0, 1.0, 0.691941738128662, 0.0, 0.0, 0.0, 0.0, 0.426776707172394, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1365.01000976562, 0.0, 0.0, 0.0, 216.0, 0.0, 0.0, 0.0, 0.0, 12.0299997329712, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 364.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.4067392349243, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 13.3599882125854, 0.0, 12.3323707580566, 46.0, 607.655700683594, 0.0, 0.0, 0.0, 0.0, 9.57106781005859, 0.0, 11.3323707580566, 0.0, 579.352478027344, 0.0, 0.0, 6.12132024765015, 10.3323707580566, 0.0, 0.0, 0.0, 536.286193847656, 0.0, 0.0, 3.87132024765015, 0.0, 9.33237075805664, 0.0, , 486.080657958984, 2.41421365737915, 0.0, 0.0, 432.689544677734, 1.47855341434479, 0.0, 2.0, 0.0, 0.0, 0.0, 0.883883476257324, 0.0, 0.0, 0.0, 0.0, 0.489276707172394, 0.0, 0.0, 0.301776707172394, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-4H, 1.0, 0.5, , , , , 1.15470051765442, 2.0, 2.30946588516235 2.30946588516235, 0.435035198926926 0.435035198926926, , 2.58978915214539 2.58978915214539, 0.417628526687622 0.417628526687622, , 3.20201301574707 3.20201301574707, , 0.0, 0.0, 0.395844787359238 0.395844787359238, 0.0, 0.0, 15.0, 9.19023418426514, 0.0, , 0.349306643009186, 10.0833330154419, 5.53702354431152, 0.0, , -0.176426112651825, , 0.0, 3.80622839927673, , 4.58496236801147, 0.0404129661619663, 1.71448707580566, 0.0, , 2.77777767181396, 5.50382852554321, , 0.0, 0.0, 0.0275987070053816, 0.288675129413605, , , 3.58490467071533, , 0.0, -0.0216557867825031, 0.433012694120407, 2.4483540058136, 0.0, 0.0, 0.144337564706802, 0.0, 1.93622601032257, 0.0, 0.0, 1.0, 1.01307117938995, , , 0.0, , 0.534517824649811, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 1.0, 124.040000915527, 0.0277777779847383, 0.0, 0.0277777779847383, 112.0, , 0.0, , , 23.7900009155273, 0.0, 2.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 193.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.100592233240604, , , , 4.94145393371582, 4.0, , , 6.26120090484619, , , , 0.0, , 1.74706780910492, , 16.8661212921143, , 13.9115409851074, 58.0, 440.087921142578, 0.0, 0.0, , 0.0, 5.89050817489624, , 23.4176731109619, 0.0, 492.637237548828, , 0.0, 3.11192059516907, 18.8230819702148, , 0.300806999206543, 0.0, 635.586669921875, , 0.0, 2.1903669834137, , 14.8230810165405, 0.0134987309575081, , 537.312866210938, 1.31899738311768, , 0.0357142873108387, 325.811096191406, 0.765069484710693, , 0.0, , 0.00449957698583603, 0.0, 0.461895495653152, , 1.0, , , 0.16195285320282, 1.0, , 0.0629374012351036, 0.0, , 0.0, 
-InChI%3D1S%2FC3H6O2%2Fc1-3%284%295-2%2Fh1-2H3, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.0833333358168602 0.0833333358168602, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.28445720672607, 0.0, 0.0, 0.279182076454163, 5.0, 2.27005553245544, 0.0, 0.0, -0.17918872833252, 0.0, 1.0, 2.25, 0.0, 3.32192802429199, 0.0687391087412834, 0.40824830532074, 0.0, 0.0, 4.0, 1.80209517478943, 0.0, 0.0, 0.333333343267441, -0.0291414204984903, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 80.0199966430664, 0.0, 0.0, 0.0, 19.0, 0.0, 0.0, 0.0, 0.0, 26.2999992370605, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 6.54893827438354, 0.0, 4.99627590179443, 16.0, 96.6699295043945, 0.0, 0.0, 0.0, 0.0, 3.31649661064148, 0.0, 5.43865299224854, 0.0, 82.7786712646484, 0.0, 0.0, 1.31649661064148, 2.33209204673767, 0.0, 0.0833333358168602, 0.5, 73.9076538085938, 0.0, 0.0, 0.695705771446228, 0.0, 0.0, 0.0, , 32.7976722717285, 0.287457466125488, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H10%2Fc1-5%282%296%283%294%2Fh1%2C3H2%2C2%2C4H3, 2.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.33333337306976 1.33333337306976, 0.603553414344788 0.603553414344788, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 5.154700756073, 0.0, 0.0, 0.00322314188815653, 6.0, 2.64273452758789, 0.0, 0.0, -0.000661304569803178, 0.0, 2.0, 2.22222232818604, 0.0, 3.58496260643005, -0.00161157094407827, 0.666666686534882, 0.0, 0.0, 3.0, 2.48803377151489, 0.0, 0.0, 2.28942847251892, 0.000661304569803178, 0.0, 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 5.65685415267944, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 195.0, 0.0, 0.0, 0.0, 24.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 29.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, , 0.0, 0.0, 6.0, 0.0, 5.0, 22.0, 265.777587890625, 0.0, 0.0, 0.0, 0.0, 4.41421365737915, 0.0, 6.0, 0.0, 249.354232788086, 0.0, 0.0, 1.95710682868958, 4.0, 0.0, 0.353553384542465, 0.0, 258.468414306641, 0.0, 0.0, 1.56066012382507, 0.0, 0.0, 0.0, , 142.002975463867, 0.728553414344788, 0.0, 0.125, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H3I2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H, 0.0, 3.53277564048767, , , , , 0.0, 4.0, 2.11262774467468 2.11262774467468, 1.52787613868713 1.52787613868713, , 2.67232036590576 2.67232036590576, 2.76508402824402 2.76508402824402, , 3.43565249443054 3.43565249443054, , 0.0, 0.0, 2.61525797843933, 0.0, 0.0, 15.0, 8.43072128295898, 0.0, , 0.200350314378738, 9.09090900421143, 5.14706563949585, 0.0, , -0.0298891365528107, , 0.0, 3.59999990463257, , 4.45943164825439, -0.0506889298558235, 0.867978751659393, , , 1.9753086566925, 4.55936288833618, , , 0.0, 0.0202287714928389, 0.0, , , 3.78272390365601, , 0.0, -0.0633043423295021, 0.272165536880493, 2.47126626968384, 0.0, 0.0, 0.0, 0.0, 1.70471298694611, 0.0, 0.0, 0.5, 0.922798097133636, , , 0.0, , 0.300789654254913, 2.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 86.0400009155273, 0.020833333954215, 0.0, 0.125377893447876, 99.0, , 0.0, , , 44.0200004577637, 0.0, 1.0, 0.333333343267441, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 148.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.205950379371643, , , , 1.5, 5.0, , , 6.60385465621948, , , , 0.0, , 0.0, , 233.41178894043, , 30.6301174163818, 52.0, 1178.51342773438, 0.0, 0.0, , 0.0, 9.6200532913208, , 54.0940475463867, 0.0, 1304.70703125, , 0.0, 4.88737678527832, 80.4097900390625, , 0.871160089969635, 0.0, 1688.34057617188, , 0.0, 4.22468376159668, , 158.566802978516, 0.0, , 1492.44885253906, 2.79061579704285, , 0.163663417100906, 752.445556640625, 2.3981773853302, , 0.0, , 0.0, 0.0, 0.820835173130035, , 1.0, , , 0.640674769878387, 1.0, , 0.0974783599376678, 0.0, , 0.0, 
-InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.524890661239624 0.524890661239624, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.28445720672607, 0.0, 0.0, 0.0941488593816757, 5.0, 2.27005553245544, 0.0, 0.0, -0.0215894691646099, 0.0, 0.0, 2.25, 0.0, 3.32192802429199, -0.0465281717479229, 0.40824830532074, 0.0, 0.0, 4.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0210432112216949, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 80.0199966430664, 0.0, 0.0, 0.0, 19.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 2.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 20.4255065917969, 0.0, 7.90347480773926, 16.0, 218.053359985352, 0.0, 1.0, 0.0, 0.0, 4.55224370956421, 0.0, 9.85521221160889, 0.0, 194.4990234375, 0.0, 0.0, 2.44203591346741, 11.6644906997681, 0.0, 0.462910056114197, 0.0, 164.844085693359, 0.0, 0.0, 1.98872208595276, 0.0, 0.0, 0.0, , 63.4055480957031, 0.987800717353821, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H, 0.0, 0.0, , , , , 0.0, 0.0, 0.0 0.0, 0.0 0.0, , 0.0 0.0, 0.0 0.0, , 0.0 0.0, , 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 4.24264049530029, 0.0, , 0.0, 4.16666650772095, 3.0, 0.0, , 0.0, , 0.0, 2.22222232818604, , 3.58496260643005, 0.0, 0.0, , , 1.33333337306976, 2.12132024765015, , 0.0, 0.0, 0.0, 0.0, , , 1.5, , 0.0, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 0.0, , , 0.0, , 0.0, 6.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 114.0, 0.0370370373129845, 0.0, 0.0, 36.0, , 0.0, , , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 27.0, 0.0, 0.0, 0.125, 0.0, 0.0, , , , 9.12546539306641, 6.0, , , 0.0, , , , 0.0, , 0.0, , 6.0, , 6.0, 24.0, 233.878387451172, 0.0, 0.0, , 0.0, 3.46410155296326, , 6.0, 0.0, 233.878387451172, , 0.0, 2.0, 3.0, , 0.0, 0.0, 233.878387451172, , 0.0, 1.15470051765442, , 0.0, 0.0, , 116.939193725586, 0.666666686534882, , 0.0, 0.0, 0.38490018248558, , 0.0, , 0.0, 0.0, 0.222222223877907, , 0.0, , , 0.0, 0.0, , 0.0, 0.0, , 0.0, 
-InChI%3D1S%2FC8H14O%2Fc1-3-5-6-7-8%289%294-2%2Fh2%2C8-9H%2C3%2C5-7H2%2C1H3, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.492799282073975 0.492799282073975, 0.117254346609116 0.117254346609116, 0.0, 0.348461717367172 0.348461717367172, 0.082911342382431 0.082911342382431, 0.0, 0.246399641036987 0.246399641036987, 0.0, 0.0, 0.0, 0.0586271733045578 0.0586271733045578, 0.0, 0.0, 7.0, 7.11288404464722, 0.0, 0.0, 0.0947911664843559, 9.0, 4.30806064605713, 1.0, 0.0, -0.0441078767180443, 0.0, 0.0, 6.125, 0.0, 4.16992521286011, -0.00416907155886292, 0.288675129413605, 0.0, 0.0, 5.87755107879639, 3.009202003479, 0.0, 0.0, 0.142857149243355, 0.000961046782322228, 0.0, 0.0, 0.0, 1.99740028381348, 0.0, 3.37701892852783, -7.7647615398746e-05, 0.0, 0.946923434734344, 0.0, 0.63245552778244, 0.0, 4.0, 0.535074770450592, 0.0, 0.0, 0.75, 0.348461717367172, 0.0, 0.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 412.010009765625, 0.0, 0.0, 0.0, 85.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 110.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.83240985870361, 5.0, 0.0, 0.0, 2.64805960655212, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 9.77446937561035, 0.0, 8.33209228515625, 32.0, 348.017974853516, 0.0, 1.0, 0.0, 0.0, 5.9303412437439, 0.0, 8.66418361663818, 0.0, 333.520843505859, 0.0, 0.0, 3.45090413093567, 7.66418409347534, 0.0, 0.0912870913743973, 0.0, 320.554992675781, 0.0, 0.0, 2.17824625968933, 0.0, 5.33209180831909, 0.0, , 263.316528320312, 1.27350127696991, 0.0, 0.0, 188.75129699707, 0.671020090579987, 0.0, 1.0, 0.0, 0.0, 0.0, 0.339981645345688, 1.0, 1.0, 0.0, 0.0, 0.17838516831398, 1.0, 0.0, 0.0416666679084301, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H14O%2Fc1-4-6%282%297%283%295-8%2Fh5-7H%2C4H2%2C1-3H3, 3.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.27614235877991 1.27614235877991, 1.01458752155304 1.01458752155304, 0.0, 1.13807117938995 1.13807117938995, 0.697546303272247 0.697546303272247, 0.0, 0.666666686534882 0.666666686534882, 0.0, 0.0, 0.0, 0.302749425172806 0.302749425172806, 0.0, 0.0, 8.0, 6.56891393661499, 0.0, 0.0, 0.130903840065002, 8.0, 3.71874403953552, 0.0, 0.0, -0.0452871806919575, 0.0, 0.0, 3.9375, 0.0, 4.0, -0.0154798505827785, 0.471404522657394, 0.0, 0.0, 2.8125, 2.77106428146362, 0.0, 0.0, 0.908560276031494, -0.00441589532420039, 0.0, 0.0, 0.0, 2.25930571556091, 0.0, 2.62074136734009, -0.000265082897385582, 0.16666667163372, 0.804737865924835, 0.0, 3.53277564048767, 0.0, 1.0, 0.16666667163372, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 385.010009765625, 0.0, 0.0, 0.0, 52.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 1.0, 2.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 68.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 1.0, 0.0, 0.0, 2.82842707633972, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 8.77446937561035, 0.0, 7.33209180831909, 30.0, 337.836486816406, 0.0, 2.0, 0.0, 0.0, 5.84740591049194, 0.0, 8.33209228515625, 0.0, 335.172180175781, 0.0, 0.0, 3.17242455482483, 8.66418361663818, 0.0, 0.428152352571487, 0.0, 361.222198486328, 0.0, 0.0, 2.3807315826416, 0.0, 4.66418409347534, 0.0, , 289.51123046875, 1.75616919994354, 0.0, 0.136082768440247, 115.820037841797, 0.505908012390137, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H10O4%2Fc1-12-6-3-8%2811%297%285-10%299%284-6%2913-2%2Fh3-5%2C11H%2C1-2H3, 0.0, 3.53277564048767, , , , , 0.0, 4.0, 1.91646718978882 1.91646718978882, 0.56430584192276 0.56430584192276, , 3.18009567260742 3.18009567260742, 0.662814736366272 0.662814736366272, , 3.91641092300415 3.91641092300415, , 0.0, 0.0, 0.652977764606476 0.652977764606476, 0.0, 0.25, 19.0, 9.84493541717529, 0.0, , 0.569504976272583, 11.0769233703613, 6.22307538986206, 0.0, , -0.21348075568676, , 0.0, 5.02422142028809, , 4.70043992996216, -0.00588900409638882, 0.742575824260712, 0.0, , 2.47933888435364, 4.96339273452759, , 0.0, 0.16666667163372, -0.353058606386185, 0.0, , , 4.25073385238647, , 1.55976951122284, 0.496864795684814, 0.164266422390938, 3.40281295776367, 0.0, 2.39767932891846, 0.0, 0.0, 2.31909418106079, 0.0, 0.0, 0.75, 1.27050149440765, , , 0.0, , 0.641010880470276, 2.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 373.040008544922, 0.020833333954215, 0.0, 0.0383554250001907, 131.0, , 0.0, , , 55.7599983215332, 1.0, 1.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 238.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.173406690359116, , 0.0, 0.0, 1.14471423625946, 5.0, , , 7.06555128097534, , , , 0.0, , 0.0, , 16.0978755950928, , 14.9925518035889, 60.0, 595.540466308594, 0.0, 0.0, , 0.0, 7.4040093421936, , 19.3246440887451, 0.25, 670.293884277344, , 0.0, 3.62742948532104, 22.3209190368652, , 0.263685464859009, 0.903602004051208, 884.554748535156, , 0.0, 2.38030982017517, , 21.5328044891357, 0.0, , 867.864990234375, 1.66720950603485, , 0.035644244402647, 591.192504882812, 0.992534101009369, , 2.0, , 0.0, 0.0, 0.580881655216217, , 0.0, , , 0.249732464551926, 0.0, , 0.0942435786128044, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H7ClO%2Fc1-5-4-6%289%292-3-7%285%298%2Fh2-4%2C9H%2C1H3, 1.0, 1.65096366405487, , , , , 0.0, 3.0, 1.47827804088593 1.47827804088593, 0.752112150192261 0.752112150192261, , 1.55802857875824 1.55802857875824, 0.588023960590363 0.588023960590363, , 2.07593297958374 2.07593297958374, , 0.0, 0.0, 0.627822995185852 0.627822995185852, 0.0, 0.0, 10.0, 6.85337114334106, 0.0, , 0.115807622671127, 7.11111116409302, 4.19837713241577, 0.0, , -0.0340365767478943, , 0.0, 2.72222232818604, , 4.16992521286011, -0.00624568201601505, 0.760079681873322, , , 1.70414197444916, 3.87279200553894, , 0.0, 0.0, -0.00392936496064067, 0.0, , , 2.86036610603333, , 1.04004192352295, -0.0500437505543232, 0.16666667163372, 1.81676292419434, 0.0, 1.65096366405487, 0.0, 0.0, 1.33160018920898, 0.0, 0.0, 0.666666686534882, 0.504473328590393, , , 0.0, , 0.0680413842201233, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 184.020004272461, 0.0240562614053488, 0.0, 0.0620917864143848, 67.0, , 0.0, , , 20.2299995422363, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 84.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.20412415266037, , , , 1.65096366405487, 5.0, , , 5.85380077362061, , , , 0.0, , 0.0, , 17.4872226715088, , 11.2838296890259, 42.0, 475.268951416016, 0.0, 0.0, , 0.0, 5.81315803527832, , 16.5676593780518, 0.0, 516.411743164062, , 0.0, 3.02858734130859, 16.5193958282471, , 0.382536590099335, 0.0, 646.012878417969, , 0.0, 2.3406867980957, , 6.61592149734497, 0.0, , 488.549041748047, 1.56560659408569, , 0.0944911167025566, 164.402740478516, 0.746419429779053, , 1.0, , 0.0, 0.0, 0.452038556337357, , 0.0, , , 0.142817467451096, 0.0, , 0.0272772368043661, 0.0, , 0.0, 
-InChI%3D1S%2FC2HCl5%2Fc3-1%284%292%285%2C6%297%2Fh1H, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 2.5980761051178 2.5980761051178, 3.78763914108276 3.78763914108276, 0.0, 0.577350258827209 0.577350258827209, 0.954395353794098 0.954395353794098, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 6.0, 6.07735013961792, 0.0, 0.0, 0.249357908964157, 7.0, 2.94337558746338, 0.0, 0.0, -0.0902454033493996, 0.0, 0.0, 1.85185182094574, 0.0, 3.80735492706299, -0.121731474995613, 1.65470051765442, 0.0, 0.0, 2.66666674613953, 3.52072596549988, 0.0, 0.0, 0.0, 0.0872979238629341, 0.288675129413605, 0.0, 0.0, 1.73205077648163, 0.0, 0.0, 0.0, 0.866025388240814, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 7.05000019073486, 0.0, 0.0, 0.0, 29.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 42.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 45.5637664794922, 0.0, 15.7586870193481, 30.0, 522.301208496094, 0.0, 1.0, 0.0, 0.0, 6.74681758880615, 0.0, 49.6097030639648, 0.0, 541.497863769531, 0.0, 0.0, 3.29882264137268, 52.2765197753906, 0.0, 2.21354651451111, 0.0, 628.735656738281, 0.0, 0.0, 4.30751323699951, 0.0, 0.0, 0.420848786830902, , 319.885223388672, 2.22692251205444, 0.0, 1.43159306049347, 0.0, 0.0, 0.0, 0.0, 0.0, 0.541091322898865, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12N2%2Fc1-2-8-5-3-7%281%294-6-8%2Fh1-6H2, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.866025388240814 0.866025388240814, 0.670820415019989 0.670820415019989, 0.0, 1.11237239837646 1.11237239837646, 0.774341642856598 0.774341642856598, 0.0, 1.41421353816986 1.41421353816986, 0.0, 0.0, 0.0, 0.848528146743774 0.848528146743774, 0.0, 0.0, 7.0, 5.39734125137329, 0.0, 0.0, 0.193961963057518, 4.83950614929199, 3.94948983192444, 0.0, 0.0, -0.121226221323013, 0.0, 0.0, 1.75, 0.0, 4.0, -0.096980981528759, 0.40824830532074, 0.0, 0.0, 0.800000011920929, 3.46410155296326, 0.0, 0.0, 0.0, 0.121226221323013, 0.0, 0.0, 0.0, 2.94948983192444, 0.0, 0.0, 0.0, 0.0, 2.28023886680603, 0.0, 0.0, 0.0, 6.0, 2.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 385.019989013672, 0.150000005960464, 0.0, 0.212132036685944, 54.0, 0.0, 0.0, 0.0, 0.0, 6.48000001907349, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 54.0, 0.0, 0.0, 0.25, 0.0, 0.353553384542465, 0.0, 0.0, 0.0, 7.32539033889771, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 8.7199764251709, 0.0, 9.99711132049561, 42.0, 427.7392578125, 0.0, 0.0, 0.0, 0.0, 5.1370677947998, 0.0, 12.9971113204956, 0.0, 488.227203369141, 0.0, 0.0, 3.39736652374268, 7.35998821258545, 0.0, 0.31622776389122, 0.0, 639.734252929688, 0.0, 0.0, 2.68328166007996, 0.0, 0.0, 0.0, , 365.376647949219, 2.19736671447754, 0.0, 0.0, 0.0, 1.51934850215912, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 1.20000004768372, 0.0, 0.0, 0.0, 0.0, 0.424264073371887, 0.0, 0.0, 0.150000005960464, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H10O3%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8%2C13-14H, 0.0, 1.53261888027191, , , , , 0.0, 4.0, 1.62954914569855 1.62954914569855, 0.397308826446533 0.397308826446533, , 1.96420383453369 1.96420383453369, 0.416819870471954 0.416819870471954, , 2.76322031021118 2.76322031021118, 0.0, 0.0, 0.0, 0.447082191705704 0.447082191705704, 0.0, 0.0, 18.0, 10.6733617782593, 0.0, 0.0, 0.3113794028759, 11.484375, 7.23718357086182, 0.0, , -0.109300218522549, , 0.0, 5.36507940292358, 0.0, 4.90689039230347, -0.0246657505631447, 0.985598564147949, 0.0, , 3.5, 6.48749780654907, , 0.0, 0.0, -0.0260392632335424, 0.0, , , 4.93752384185791, , 0.0, -0.140042334794998, 0.0, 3.60103964805603, 0.0, 0.0, 0.0, 0.0, 3.21497464179993, 0.0, 0.0, 1.0, 1.65425360202789, 0.0, , 0.0, 0.0, 1.06531405448914, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 466.029998779297, 0.0555555559694767, 0.0, 0.0475256592035294, 240.0, , 0.0, , , 49.689998626709, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , , 404.0, 0.0, 0.0, 0.16666667163372, 0.0, 0.284517794847488, , 0.0, 0.0, 8.69190216064453, 12.0, 0.0, , 12.3619976043701, , 0.0, , 0.0, , 0.0, 1.0, 17.3234062194824, , 17.3283672332764, 74.0, 757.068176269531, 0.0, 0.0, 0.0, 0.0, 7.92147779464722, , 23.6567363739014, 0.100000001490116, 845.770385742188, , 0.0, 4.49819612503052, 20.6567363739014, , 0.285153955221176, 0.400000005960464, 1080.40161132812, , 0.0, 3.0898642539978, , 13.3283681869507, 0.0, , 928.997131347656, 1.90914392471313, , 0.0, 640.563598632812, 1.16444194316864, 0.0, 0.0, , 0.0, 0.0, 0.784001350402832, 2.0, 0.0, , 0.0, 0.28869241476059, 0.0, , 0.14853872358799, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H14N2O%2Fc9-6-5-8-3-1-7-2-4-8%2Fh7%2C9H%2C1-6H2, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.433012694120407 0.433012694120407, 0.335410207509995 0.335410207509995, 0.0, 0.654647946357727 0.654647946357727, 0.39897421002388 0.39897421002388, 0.0, 0.637136876583099 0.637136876583099, 0.0, 0.0, 0.0, 0.307881504297256 0.307881504297256, 0.0, 0.0, 8.0, 6.52709770202637, 0.0, 0.0, 0.257068783044815, 7.11111116409302, 4.43185186386108, 0.0, 0.0, -0.126430258154869, 0.0, 0.0, 3.92000007629395, 0.0, 4.16992521286011, -0.134035438299179, 0.20412415266037, 0.0, 0.0, 2.38016533851624, 3.29271101951599, 0.0, 0.0, 0.0, 0.195273220539093, 0.0, 0.0, 0.0, 2.42166829109192, 0.0, 0.0, -0.0210487004369497, 0.0, 1.88406312465668, 0.0, 0.0, 0.0, 6.0, 1.30929589271545, 0.0, 0.0, 1.0, 0.492799282073975, 0.0, 0.0, 0.0, 0.0, 0.246399641036987, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 457.029998779297, 0.0559016987681389, 0.0, 0.0395284704864025, 81.0, 0.0, 0.0, 0.0, 0.0, 35.5, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 94.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, 0.0, 0.0, 0.0, 6.67872285842896, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 10.4944448471069, 0.0, 10.1630182266235, 38.0, 409.412322998047, 0.0, 0.0, 0.0, 0.0, 5.6370677947998, 0.0, 11.1630182266235, 0.0, 430.305847167969, 0.0, 0.0, 3.47201776504517, 8.91345405578613, 0.0, 0.15811388194561, 0.0, 486.173675537109, 0.0, 0.0, 2.31524753570557, 0.0, 5.8303689956665, 0.0, , 368.245300292969, 1.62584352493286, 0.0, 0.0, 185.368988037109, 1.07617318630219, 0.0, 0.0, 0.0, 0.0, 0.0, 0.659016966819763, 1.0, 0.0, 0.0, 0.0, 0.208113878965378, 0.0, 0.0, 0.0912570357322693, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H16%2Fc1-2-3-5-8-11-9-6-4-7-10-11%2Fh4%2C6-7%2C9-10H%2C2-3%2C5%2C8H2%2C1H3, 1.0, 0.0, , , , , 0.0, 1.0, 0.433012694120407 0.433012694120407, 0.219416096806526 0.219416096806526, , 0.61237245798111 0.61237245798111, 0.273001730442047 0.273001730442047, , 0.649519026279449 0.649519026279449, , 0.0, 0.0, 0.2559854388237 0.2559854388237, 0.0, 0.0, 10.0, 7.94131135940552, 0.0, , 0.0, 9.09090900421143, 5.43185186386108, 0.0, , 0.0, , 0.0, 5.625, , 4.45943164825439, 0.0, 0.20412415266037, , , 3.78698229789734, 3.99981784820557, , 0.0, 0.0, 0.0, 0.0, , , 2.94067072868347, , 2.186856508255, 0.0, 0.0, 2.15882754325867, 0.0, 0.200000002980232, 0.0, 4.0, 1.57320654392242, 0.0, 0.0, 1.0, 0.781474411487579, , , 0.0, , 0.450523793697357, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 619.0, 0.0320750139653683, 0.0, 0.0226804614067078, 135.0, , 0.0, , , 0.0, 0.0, 1.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 182.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, , , , 13.4157161712646, 9.0, , , 4.79707670211792, , , , 0.0, , 0.0, , 11.0, , 11.0, 46.0, 567.954345703125, 0.0, 0.0, , 0.0, 7.21517848968506, , 12.0, 0.0, 588.853271484375, , 0.0, 4.47134399414062, 10.0, , 0.117851130664349, 0.0, 651.755249023438, , 0.0, 2.94270539283752, , 7.0, 0.0, , 538.91259765625, 1.911829829216, , 0.0, 363.178253173828, 1.22380137443542, , 1.0, , 0.0, 0.0, 0.754431247711182, , 0.0, , , 0.396628767251968, 0.0, , 0.202804580330849, 0.0, , 0.0, 
-InChI%3D1S%2FC7H7NO2%2Fc8-7%2810%295-3-1-2-4-6%285%299%2Fh1-4%2C9H%2C%28H2%2C8%2C10%29, 0.0, 2.38110160827637, , , , , 0.0, 2.0, 1.49826681613922 1.49826681613922, 0.351003617048264 0.351003617048264, , 2.17455840110779 2.17455840110779, 0.361334472894669 0.361334472894669, , 2.13370633125305 2.13370633125305, , 0.0, 0.0, 0.282295405864716 0.282295405864716, 0.0, 0.0, 12.0, 7.56047773361206, 0.0, , 0.17640009522438, 8.10000038146973, 4.71521425247192, 0.0, , -0.0547796674072742, , 1.0, 3.40828394889832, , 4.32192802429199, 0.00393019709736109, 0.705118358135223, , , 1.99111115932465, 4.16961240768433, , 0.0, 0.0, -0.0928781479597092, 0.0, , , 3.03412985801697, , 0.0, 0.0563371740281582, 0.232307806611061, 2.33534574508667, 0.0, 0.0, 0.0, 0.0, 1.34171581268311, 0.0, 0.0, 0.666666686534882, 0.565641164779663, , , 0.0, , 0.240562617778778, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 199.029998779297, 0.0277777779847383, 0.0, 0.0263114888221025, 76.0, , 0.0, , , 64.3099975585938, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 114.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, , , , 3.96540641784668, 5.0, , , 5.55315780639648, , , , 0.0, , 0.0, , 11.9089260101318, , 10.8303689956665, 46.0, 451.836090087891, 0.0, 0.0, , 0.0, 5.20382833480835, , 14.7159271240234, 0.25, 495.088043212891, , 0.0, 2.77456378936768, 13.9928302764893, , 0.192620202898979, 0.0, 618.068481445312, , 0.0, 1.86575591564178, , 10.6565818786621, 0.0, , 516.705200195312, 1.1591705083847, , 0.0347713306546211, 269.640167236328, 0.673885881900787, , 0.0, , 0.0, 0.0, 0.349902540445328, , 0.0, , , 0.101720884442329, 0.0, , 0.0325227901339531, 1.0, , 0.0, 
-InChI%3D1S%2FC5H10O%2Fc1-4%282%295%283%296%2Fh4H%2C1-3H3, 3.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.33333337306976 1.33333337306976, 0.642228543758392 0.642228543758392, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 5.154700756073, 0.0, 0.0, 0.120105996727943, 6.0, 2.64273452758789, 0.0, 0.0, -0.0240783374756575, 0.0, 1.0, 2.22222232818604, 0.0, 3.58496260643005, -0.0323649272322655, 0.666666686534882, 0.0, 0.0, 3.0, 2.48803377151489, 0.0, 0.0, 1.14471423625946, -0.00360973225906491, 0.0, 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 4.24264049530029, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 195.009994506836, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 1.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 29.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 6.77446889877319, 0.0, 5.33209180831909, 22.0, 198.163223266602, 0.0, 1.0, 0.0, 0.0, 4.48559856414795, 0.0, 6.66418409347534, 0.0, 185.135986328125, 0.0, 0.0, 2.14749979972839, 4.66418409347534, 0.0, 0.406526267528534, 0.0, 190.266815185547, 0.0, 0.0, 1.76535093784332, 0.0, 0.0, 0.0, , 103.847145080566, 0.813052535057068, 0.0, 0.117851130664349, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC14H14OS%2Fc15-16%2811-13-7-3-1-4-8-13%2912-14-9-5-2-6-10-14%2Fh1-10H%2C11-12H2, 2.0, 0.25, , , , , 0.0, 2.0, 1.14638590812683 1.14638590812683, 0.653543412685394 0.653543412685394, , 1.91570425033569 1.91570425033569, 0.948285043239594 0.948285043239594, , 2.25047874450684 2.25047874450684, , 0.0, 0.0, 0.932364940643311 0.932364940643311, 0.0, 0.0, 18.0, 11.2173318862915, 0.0, , 0.0855067819356918, 12.4567470550537, 7.84333658218384, 0.0, , -0.000431486434536055, , 0.0, 6.66666650772095, , 5.0, -0.0375295095145702, 0.696923434734344, 0.0, , 4.42361116409302, 6.58464813232422, , 0.0, 0.0, -0.00435106921941042, 0.0, , , 4.92089414596558, , 0.0, -0.000480742077343166, 0.0, 4.07997989654541, 0.0, 0.0, 0.0, 2.0, 3.04322981834412, 0.0, 0.0, 1.0, 1.47831320762634, , , 0.0, , 0.977283895015717, 10.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 721.02001953125, 0.0641500279307365, 0.0, 0.0453609228134155, 263.0, , 0.0, , , 36.2799987792969, 0.0, 2.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 495.0, 0.0, 0.0, 0.20412415266037, 0.0, 0.144337564706802, , , , 17.7703399658203, 10.0, , , 8.5883092880249, , , , 0.0, , 0.0, , 22.9022216796875, , 22.8959693908691, 76.0, 1149.38122558594, 0.0, 0.0, , 0.0, 9.46307468414307, , 25.0037536621094, 0.0, 1262.38073730469, , 0.0, 6.10874891281128, 25.3433246612549, , 0.412700355052948, 0.0, 1564.95715332031, , 0.0, 4.51851749420166, , 23.0075092315674, 0.0, , 1371.00256347656, 3.07750964164734, , 0.0, 1124.48022460938, 2.2628321647644, , 0.0, , 0.0, 0.0, 1.48425757884979, , 0.0, , , 0.779232621192932, 0.0, , 0.480949580669403, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC8H19N%2Fc1-3-4-5-6-7-8%282%299%2Fh8H%2C3-7%2C9H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.16666667163372 0.16666667163372, 0.0, 0.20412415266037 0.20412415266037, 0.117851130664349 0.117851130664349, 0.0, 0.144337564706802 0.144337564706802, 0.0, 0.0, 0.0, 0.0833333358168602 0.0833333358168602, 0.0, 0.0, 6.0, 7.11288404464722, 0.0, 0.0, 0.0270459596067667, 9.0, 4.27005577087402, 0.0, 0.0, -0.008552186191082, 0.0, 0.0, 6.125, 0.0, 4.16992521286011, -0.00479573383927345, 0.40824830532074, 0.0, 0.0, 8.0, 3.24318218231201, 0.0, 0.0, 0.142857149243355, -0.000169157283380628, 0.0, 0.0, 0.0, 1.63502776622772, 0.0, 3.20884418487549, -5.81604672333924e-06, 0.0, 0.979362547397614, 0.0, 0.816496610641479, 0.0, 5.0, 0.567513883113861, 0.0, 0.0, 0.75, 0.306186228990555, 0.0, 0.0, 0.0, 0.0, 0.20412415266037, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 657.010009765625, 0.0, 0.0, 0.0, 87.0, 0.0, 0.0, 0.0, 0.0, 26.0200004577637, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 114.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.67623996734619, 6.0, 0.0, 0.0, 1.91925978660583, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 9.35998821258545, 0.0, 8.16618537902832, 32.0, 397.029541015625, 0.0, 1.0, 0.0, 0.0, 6.69023466110229, 0.0, 8.33237075805664, 0.0, 376.363250732422, 0.0, 1.0, 4.026038646698, 6.16618537902832, 0.0, 0.235702261328697, 0.0, 357.642852783203, 0.0, 0.0, 2.82661914825439, 0.0, 5.16618537902832, 0.0, , 273.8193359375, 1.513019323349, 0.0, 0.0, 218.594940185547, 0.893089532852173, 0.0, 2.0, 0.0, 0.0, 0.0, 0.5065096616745, 0.0, 0.0, 0.0, 0.0, 0.263049721717834, 0.0, 0.0, 0.160987630486488, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H11BrO%2Fc7-5-6-3-1-2-4-8-6%2Fh6H%2C1-5H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.492799282073975 0.492799282073975, 0.398121684789658 0.398121684789658, 0.0, 0.594861328601837 0.594861328601837, 0.504103541374207 0.504103541374207, 0.0, 0.492799282073975 0.492799282073975, 0.0, 0.0, 0.0, 0.398121684789658 0.398121684789658, 0.0, 0.0, 7.0, 5.81999111175537, 0.0, 0.0, 0.201386258006096, 6.125, 3.9318516254425, 0.0, 0.0, -0.0879903137683868, 0.0, 0.0, 3.11111116409302, 0.0, 4.0, -0.0628165900707245, 0.20412415266037, 0.0, 0.0, 1.79999995231628, 2.91228413581848, 0.0, 0.0, 0.0, 0.0685847923159599, 0.0, 0.0, 0.0, 2.30209517478943, 0.0, 0.0, -0.0143641354516149, 0.0, 1.59538793563843, 0.0, 0.0, 0.0, 5.0, 1.10517168045044, 0.0, 0.0, 0.666666686534882, 0.348461717367172, 0.0, 0.0, 0.0, 0.0, 0.144337564706802, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 305.019989013672, 0.0589255653321743, 0.0, 0.0416666679084301, 60.0, 0.0, 0.0, 1.0, 0.0, 9.22999954223633, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 64.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, 0.0, 0.0, 0.0, 5.08567523956299, 4.0, 0.0, 0.0, 3.04182171821594, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 52.0325584411621, 0.0, 14.3168592453003, 34.0, 427.403930664062, 0.0, 1.0, 0.0, 0.0, 6.48509359359741, 0.0, 15.6489515304565, 0.0, 438.240386962891, 0.0, 0.0, 4.22960424423218, 20.8467426300049, 0.0, 0.117851130664349, 0.0, 485.792266845703, 0.0, 0.0, 2.79036498069763, 0.0, 14.3053512573242, 0.0, , 362.769256591797, 2.16826391220093, 0.0, 0.0, 144.529846191406, 1.43975079059601, 0.0, 0.0, 0.0, 0.0, 0.0, 0.96167778968811, 0.0, 0.0, 0.0, 0.0, 0.399506777524948, 0.0, 0.0, 0.163663417100906, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H3F3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.06066012382507 1.06066012382507, 0.067763090133667 0.067763090133667, 0.0, 0.353553384542465 0.353553384542465, 0.00853734742850065 0.00853734742850065, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 5.207106590271, 0.0, 0.0, 0.392981857061386, 6.0, 2.56066012382507, 0.0, 0.0, -0.152863025665283, 0.0, 0.0, 1.63265311717987, 0.0, 3.58496260643005, -0.149634882807732, 1.56066012382507, 0.0, 0.0, 5.33333349227905, 2.91421365737915, 0.0, 0.0, 0.0, 0.106006979942322, 0.353553384542465, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 34.0400009155273, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 28.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 11.2806015014648, 0.0, 7.07744741439819, 24.0, 63.1689567565918, 0.0, 0.0, 0.0, 0.0, 2.7882137298584, 0.0, 13.5835800170898, 0.0, 59.6335906982422, 0.0, 0.0, 1.23672783374786, 6.32124996185303, 0.0, 0.178520336747169, 0.0, 65.4271621704102, 0.0, 0.0, 0.7732914686203, 0.0, 0.0, 0.0190900880843401, , 25.3565063476562, 0.179284289479256, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H16O%2Fc1-11%282%2C12%299-8-10-6-4-3-5-7-10%2Fh3-7%2C12H%2C8-9H2%2C1-2H3, 2.0, 0.0, , , , , 0.333333343267441, 1.0, 1.18301272392273 1.18301272392273, 0.693022906780243 0.693022906780243, , 1.26549184322357 1.26549184322357, 0.604349613189697 0.604349613189697, , 1.50829112529755 1.50829112529755, , 0.0, 0.0, 0.625695884227753 0.625695884227753, 0.0, 0.0, 11.0, 9.02709770202637, 0.0, , 0.0705168694257736, 10.0833330154419, 5.57829809188843, 0.0, , -0.0162840001285076, , 0.0, 4.296875, , 4.58496236801147, -0.0185532737523317, 1.76478433609009, 0.0, , 4.59183692932129, 5.60337114334106, , 0.0, 0.5, -0.000406778097385541, 0.353553384542465, , , 3.02733063697815, , 3.10599422454834, -1.39547664730344e-05, 0.0, 2.11295175552368, 0.0, 0.5, 0.0, 2.0, 1.77733075618744, 0.0, 2.0, 0.75, 0.823749899864197, , , 0.0, , 0.48041707277298, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 1.0, 652.010009765625, 0.0320750139653683, 0.0, 0.0226804614067078, 133.0, , 0.0, , , 20.2299995422363, 0.0, 2.0, 0.428571432828903, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 217.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, , , , 9.56307411193848, 7.0, , , 4.44554471969604, , , , 0.0, , 2.08548188209534, , 12.7744693756104, , 12.3320922851562, 56.0, 637.036560058594, 0.0, 0.0, , 0.0, 7.74817848205566, , 16.9962768554688, 0.0, 681.915161132812, , 0.0, 4.34139728546143, 11.3320922851562, , 1.01123905181885, 0.0, 836.765686035156, , 0.0, 3.79803276062012, , 8.33209228515625, 0.15811388194561, , 620.172973632812, 1.86830317974091, , 0.0, 446.368988037109, 1.09491646289825, , 2.0, , 0.0, 0.0, 0.803800761699677, , 0.0, , , 0.352963477373123, 0.0, , 0.177594408392906, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H5ClO2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3%2C8-9H, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 1.47827804088593 1.47827804088593, 0.40541335940361 0.40541335940361, , 1.55802857875824 1.55802857875824, 0.383877635002136 0.383877635002136, , 2.07593297958374 2.07593297958374, , 0.0, 0.0, 0.400603383779526 0.400603383779526, 0.0, 0.0, 10.0, 6.85337114334106, 0.0, , 0.209925621747971, 7.11111116409302, 4.19837713241577, 0.0, , -0.0373336896300316, , 0.0, 2.72222232818604, , 4.16992521286011, -0.0668828785419464, 0.760079681873322, 0.0, , 1.70414197444916, 3.87279200553894, , 0.0, 0.0, -0.01179139316082, 0.0, , , 2.86036610603333, , 0.0, -0.0248251687735319, 0.16666667163372, 1.81676292419434, 0.0, 0.0, 0.0, 0.0, 1.33160018920898, 0.0, 0.0, 0.666666686534882, 0.504473328590393, , , 0.0, , 0.0680413842201233, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 124.029998779297, 0.0240562614053488, 0.0, 0.0487938113510609, 67.0, , 0.0, , , 40.4599990844727, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 84.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.20412415266037, , , 0.0, 1.65096366405487, 6.0, , , 5.85380077362061, , , , 0.0, , 0.0, , 18.2616920471191, , 11.6159210205078, 42.0, 423.152557373047, 0.0, 0.0, , 0.0, 5.26037120819092, , 17.2318420410156, 0.333333343267441, 460.313079833984, , 0.0, 2.75219416618347, 16.006311416626, , 0.318081676959991, 0.0, 570.9326171875, , 0.0, 2.06947207450867, , 9.54790687561035, 0.0, , 428.677185058594, 1.17255759239197, , 0.0166666675359011, 149.743728637695, 0.662931144237518, , 0.0, , 0.0, 0.0, 0.397983610630035, , 0.0, , , 0.118716478347778, 0.0, , 0.00481125246733427, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H10%2Fc1-3-5-6-4-2%2Fh3-6H%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 4.8284273147583, 0.0, 0.0, 0.00322314188815653, 6.0, 2.91421365737915, 0.0, 0.0, -0.0013001092011109, 0.0, 0.0, 5.0, 0.0, 3.58496260643005, -4.49999570264481e-05, 0.0, 0.0, 0.0, 5.33333349227905, 1.70710682868958, 0.0, 0.0, 0.200000002980232, 0.00037234285264276, 0.0, 0.0, 0.0, 0.95710676908493, 0.0, 3.61440801620483, -0.00156657095067203, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 195.0, 0.0, 0.0, 0.0, 38.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 35.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 3.96540641784668, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 6.0, 0.0, 5.0, 18.0, 230.989303588867, 0.0, 0.0, 0.0, 0.0, 4.30940103530884, 0.0, 4.0, 0.0, 201.844818115234, 0.0, 0.0, 2.15470051765442, 3.0, 0.0, 0.0, 0.0, 160.094619750977, 0.0, 0.0, 1.05156683921814, 0.0, 2.0, 0.0, , 112.805770874023, 0.496011286973953, 0.0, 0.0, 66.7220077514648, 0.222222223877907, 0.0, 2.0, 0.0, 0.0, 0.0, 0.111111111938953, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H6O%2Fc1-2-3-4%2Fh2%2C4H%2C1%2C3H2, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 1.0, 3.41421365737915, 0.0, 0.0, 0.0901474505662918, 4.0, 1.91421353816986, 0.0, 0.0, -0.0430506281554699, 0.0, 0.0, 3.0, 0.0, 3.0, -0.00249569374136627, 0.0, 0.0, 0.0, 4.0, 1.0, 0.0, 0.0, 0.0, 0.000472597486805171, 0.0, 0.0, 0.0, 0.5, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 69.0100021362305, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 1.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, , 0.0, 0.0, 4.77446889877319, 0.0, 3.33209204673767, 10.0, 90.9452667236328, 0.0, 0.0, 0.0, 0.0, 2.43877744674683, 0.0, 2.33209204673767, 0.0, 71.9040832519531, 0.0, 0.0, 1.13272440433502, 1.33209192752838, 0.0, 0.0, 0.0, 43.9568214416504, 0.0, 0.0, 0.471249312162399, 0.0, 0.0, 0.0, , 17.3021774291992, 0.129099443554878, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H11NO3S%2Fc14-17%2815%2C16%2912-7-4-8-13%2810-12%299-11-5-2-1-3-6-11%2Fh1-8%2C10H%2C9H2, 3.0, 0.25, , , , , 0.0, 2.0, , , , , , , , , 0.0, 0.0, , 0.0, 0.0, 22.0, , 0.0, , 0.348145604133606, 13.4320983886719, , 0.0, , -0.178059175610542, , 0.0, 5.76000022888184, , 5.08746290206909, 0.0212811324745417, , 1.0, , 4.0, , , 0.0, 0.0, -0.130712732672691, , , , , , 0.0, 0.194780245423317, , , 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.800000011920929, , , , , , , 0.0, , , 0.0, 0.0, 0.0, , , , 0.0, 52.0499992370605, , 0.0, , 255.0, , 0.0, , , 55.0900001525879, 0.0, 1.0, 0.444444447755814, , 0.0, 0.0, 0.0, , , 0.0, 0.0, , , 544.0, , 0.0, , 0.0, , , 1.0, 0.0, 14.5337781906128, 8.0, , , 7.61336517333984, , 0.0, , 0.0, , 0.0, , 25.8111476898193, , 27.8375396728516, 86.0, , 0.0, 0.0, , 0.0, , , 32.1578102111816, 1.5, , , 0.0, , 28.274356842041, , , 0.0, , , 0.0, , , 24.3286151885986, , , , , , , , , , 0.0, , , 0.0, , , 0.0, , , , 0.0, , , 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC8H19NO%2Fc1-7%282%299%285-6-10%298%283%294%2Fh7-8%2C10H%2C5-6H2%2C1-4H3, 6.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.49686074256897 1.49686074256897, 1.15946340560913 1.15946340560913, 0.0, 2.12858986854553 2.12858986854553, 1.6075963973999 1.6075963973999, 0.0, 1.64746475219727 1.64746475219727, 0.0, 0.0, 0.0, 0.968582808971405 0.968582808971405, 0.0, 0.0, 11.0, 8.14626407623291, 0.0, 0.0, 0.182133629918098, 10.0, 4.59142303466797, 0.0, 0.0, -0.0790947452187538, 0.0, 0.0, 4.76033067703247, 0.0, 4.32192802429199, -0.0810563489794731, 0.802749454975128, 0.0, 0.0, 3.70247936248779, 3.94056367874146, 0.0, 0.0, 1.88988161087036, 0.0944408848881721, 0.0, 0.0, 0.0, 2.33461785316467, 0.0, 2.30940103530884, -0.00999803934246302, 0.272165536880493, 1.76980030536652, 0.0, 4.61880207061768, 0.0, 2.0, 0.666666686534882, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 694.02001953125, 0.0, 0.0, 0.0, 72.0, 0.0, 0.0, 0.0, 0.0, 23.4699993133545, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 124.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 0.0, 1.63299322128296, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 11.1344566345215, 0.0, 9.83064746856689, 40.0, 497.759918212891, 0.0, 2.0, 0.0, 0.0, 7.4633412361145, 0.0, 12.1630182266235, 0.0, 512.032104492188, 0.0, 0.0, 3.95825433731079, 11.5534658432007, 0.0, 0.621807038784027, 0.0, 598.121948242188, 0.0, 0.0, 3.14892935752869, 0.0, 10.6641836166382, 0.0, , 543.469909667969, 1.68478047847748, 0.0, 0.210818514227867, 375.974487304688, 1.22815263271332, 0.0, 4.0, 0.0, 0.0, 0.0, 0.230940103530884, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H14O%2Fc1-2-3-9-11-10-7-5-4-6-8-10%2Fh4-8H%2C2-3%2C9H2%2C1H3, 2.0, 0.0, , , , , 0.0, 1.0, 0.433012694120407 0.433012694120407, 0.126679942011833 0.126679942011833, , 0.61237245798111 0.61237245798111, 0.157617628574371 0.157617628574371, , 0.649519026279449 0.649519026279449, , 0.0, 0.0, 0.147793263196945 0.147793263196945, 0.0, 0.0, 10.0, 7.94131135940552, 0.0, , 0.163162767887115, 9.09090900421143, 5.43185186386108, 0.0, , -0.0800573453307152, , 0.0, 5.625, , 4.45943164825439, -0.0142800267785788, 0.20412415266037, 0.0, , 3.78698229789734, 3.99981784820557, , 0.0, 0.0, 0.00957489665597677, 0.0, , , 2.94067072868347, , 1.9369683265686, 0.00281234993599355, 0.0, 2.15882754325867, 0.0, 0.200000002980232, 0.0, 3.0, 1.57320654392242, 0.0, 0.0, 1.0, 0.781474411487579, , , 0.0, , 0.450523793697357, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 515.010009765625, 0.0320750139653683, 0.0, 0.0130945695564151, 135.0, , 0.0, , , 9.22999954223633, 0.0, 0.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 182.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, , , , 10.0198783874512, 8.0, , , 3.94154000282288, , , , 0.0, , 0.0, , 11.7744693756104, , 11.6641836166382, 46.0, 498.759460449219, 0.0, 0.0, , 0.0, 6.91631984710693, , 12.9962759017944, 0.0, 514.868774414062, , 0.0, 4.11058950424194, 10.9962759017944, , 0.0680413842201233, 0.0, 567.427673339844, , 0.0, 2.51506757736206, , 7.66418409347534, 0.0, , 466.389068603516, 1.50982487201691, , 0.0, 316.722625732422, 0.851077735424042, , 1.0, , 0.0, 0.0, 0.516910076141357, , 0.0, , , 0.228993713855743, 0.0, , 0.117089278995991, 0.0, , 0.0, 
-InChI%3D1S%2FC8H7BrO3%2Fc1-12-7-3-5%284-10%292-6%289%298%287%2911%2Fh2-4%2C11H%2C1H3, 0.0, 3.53277564048767, , , , , 0.0, 4.0, 2.07417607307434 2.07417607307434, 0.887118935585022 0.887118935585022, , 2.80964088439941 2.80964088439941, 1.08039379119873 1.08039379119873, , 3.7756769657135 3.7756769657135, , 0.0, 0.0, 1.20313084125519 1.20313084125519, 0.0, 0.0, 17.0, 9.13782787322998, 0.0, , 0.428427517414093, 10.0833330154419, 5.68507051467896, 0.0, , -0.149694293737411, , 0.0, 4.296875, , 4.58496236801147, -0.0997314155101776, 0.798943161964417, , , 2.25, 4.75040674209595, , 0.0, 0.0, 0.0941215753555298, 0.0, , , 4.08406734466553, , 0.711378633975983, -0.127586022019386, 0.232307806611061, 2.81586194038391, 0.0, 1.27788615226746, 0.0, 0.0, 2.07271194458008, 0.0, 0.0, 0.5, 1.08724701404572, , , 0.0, , 0.454138457775116, 2.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 229.039993286133, 0.020833333954215, 0.0, 0.0707661062479019, 112.0, , 0.0, , , 46.5299987792969, 1.0, 1.0, 0.333333343267441, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 190.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.189678534865379, , , , 1.5, 5.0, , , 6.60385465621948, , , , 0.0, , 0.0, , 57.5814971923828, , 18.9810428619385, 56.0, 691.631530761719, 0.0, 0.0, , 0.0, 7.95972204208374, , 28.9658107757568, 0.16666667163372, 774.900512695312, , 0.0, 3.99703764915466, 38.9343490600586, , 0.494525671005249, 0.516397774219513, 1013.08978271484, , 0.0, 3.02578258514404, , 33.1598777770996, 0.0, , 940.744995117188, 2.01125001907349, , 0.076562725007534, 562.1337890625, 1.27715063095093, , 1.0, , 0.0, 0.0, 0.738096058368683, , 0.0, , , 0.302216380834579, 0.0, , 0.111021906137466, 1.0, , 0.0, 
-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, 4.0, 1.65096366405487, , , , , 0.0, 3.0, 2.0572657585144 2.0572657585144, 0.812740445137024 0.812740445137024, , 3.00715756416321 3.00715756416321, 0.995822250843048 0.995822250843048, , 3.1166660785675 3.1166660785675, , 0.0, 0.0, 0.818975627422333 0.818975627422333, 0.0, 0.0, 20.0, 10.5520420074463, 0.0, , 0.305099993944168, 12.0714282989502, 6.72307538986206, 0.0, , -0.10069166123867, , 0.0, 5.77777767181396, , 4.80735492706299, -0.0194314923137426, 0.735702276229858, 0.0, , 2.99432897567749, 5.2953200340271, , 0.0, 0.25, -0.12266031652689, 0.0, , , 4.6273193359375, , 3.48040437698364, 0.116814993321896, 0.201184466481209, 3.49050045013428, 0.0, 1.33886587619781, 0.0, 2.0, 2.09027981758118, 0.0, 0.0, 1.0, 1.41297376155853, , , 0.0, , 0.840735852718353, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 659.030029296875, 0.0240562614053488, 0.0, 0.0354054644703865, 164.0, , 0.0, , , 40.5400009155273, 1.0, 1.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 310.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.155437618494034, , , , 5.11918115615845, 5.0, , , 8.5840425491333, , , , 0.0, , 0.0, , 15.9089260101318, , 15.1627397537231, 64.0, 769.15966796875, 0.0, 0.0, , 0.0, 8.52628993988037, , 19.6610164642334, 0.25, 853.718078613281, , 0.0, 4.75629377365112, 21.9928302764893, , 0.334222048521042, 0.0, 1098.30212402344, , 0.0, 3.03325986862183, , 18.4903964996338, 0.0, , 1090.34204101562, 2.26957678794861, , 0.0587843731045723, 775.893371582031, 1.41717076301575, , 2.0, , 0.0, 0.0, 0.686261892318726, , 0.0, , , 0.365355759859085, 0.0, , 0.192432537674904, 1.0, , 0.0, 
-InChI%3D1S%2FC9H11NO%2Fc1-2-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3, 1.0, 1.31037068367004, , , , , 0.0, 2.0, 1.49750399589539 1.49750399589539, 0.455784529447556 0.455784529447556, , 1.6887115240097 1.6887115240097, 0.461217373609543 0.461217373609543, , 1.85322630405426 1.85322630405426, , 0.0, 0.0, 0.420967876911163 0.420967876911163, 0.0, 0.0, 13.0, 8.26758480072021, 0.0, , 0.146071866154671, 9.09090900421143, 5.23638200759888, 0.0, , -0.0327831618487835, , 1.0, 4.13265323638916, , 4.45943164825439, -0.0297634247690439, 0.6910440325737, , , 2.5, 4.40548419952393, , 0.0, 0.0, 0.00290109985508025, 0.0, , , 3.509202003479, , 1.50854408740997, -0.00308031961321831, 0.117851130664349, 2.18823194503784, 0.0, 0.908560276031494, 0.0, 1.0, 1.62847018241882, 0.0, 0.0, 0.75, 0.959815144538879, , , 0.0, , 0.396574229001999, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 374.019989013672, 0.0277777779847383, 0.0, 0.0299263969063759, 113.0, , 0.0, , , 43.0900001525879, 0.0, 1.0, 0.428571432828903, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 160.0, 0.0, 0.0, 0.0833333358168602, 1.0, 0.131445854902267, , , , 4.25141477584839, 6.0, , , 8.42163562774658, , , , 0.0, , 0.0, , 12.1344566345215, , 11.4982776641846, 50.0, 552.240356445312, 0.0, 0.0, , 0.0, 6.50210618972778, , 14.9965543746948, 0.0, 598.297607421875, , 1.0, 3.62482666969299, 14.3286466598511, , 0.251727163791656, 0.0, 738.05859375, , 0.0, 2.39873814582825, , 8.8303689956665, 0.0, , 632.718444824219, 1.55377316474915, , 0.0240562614053488, 362.955688476562, 0.873136222362518, , 1.0, , 0.0, 0.0, 0.529244661331177, , 0.0, , , 0.226103454828262, 0.0, , 0.0990234687924385, 0.0, , 0.0, 
-InChI%3D1S%2FC8H11NO%2Fc10-6-2-4-8-3-1-5-9-7-8%2Fh1%2C3%2C5%2C7%2C10H%2C2%2C4%2C6H2, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.433012694120407 0.433012694120407, 0.20407934486866 0.20407934486866, 0.0, 0.61237245798111 0.61237245798111, 0.244447663426399 0.244447663426399, 0.0, 0.679412364959717 0.679412364959717, 0.0, 0.0, 0.0, 0.206292510032654 0.206292510032654, 0.0, 0.0, 9.0, 7.23420429229736, 0.0, 0.0, 0.147497490048409, 8.10000038146973, 4.93185186386108, 0.0, 0.0, -0.0688171908259392, 0.0, 0.0, 4.76033067703247, 0.0, 4.32192802429199, -0.00546966586261988, 0.20412415266037, 0.0, 0.0, 3.11111116409302, 3.64626431465149, 0.0, 0.0, 0.0, 0.00732237473130226, 0.0, 0.0, 0.0, 2.69067072868347, 0.0, 0.0, 0.00596404308453202, 0.0, 1.96861410140991, 0.0, 0.0, 0.0, 3.0, 1.51341998577118, 0.0, 0.0, 0.75, 0.637136876583099, 0.0, 0.0, 0.0, 0.0, 0.348461717367172, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 351.019989013672, 0.0248451996594667, 0.0, 0.0175682101398706, 107.0, 0.0, 0.0, 0.0, 0.0, 33.1199989318848, 0.0, 1.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 133.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, 0.0, 1.0, 0.0, 8.45335292816162, 4.0, 0.0, 0.0, 4.19535875320435, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 11.1344566345215, 0.0, 10.6644620895386, 42.0, 450.152801513672, 0.0, 0.0, 0.0, 0.0, 5.8251485824585, 0.0, 11.6644620895386, 0.0, 472.168304443359, 0.0, 0.0, 3.43019580841064, 9.66446208953857, 0.0, 0.117851130664349, 0.0, 529.3525390625, 0.0, 0.0, 2.18843364715576, 0.0, 6.49827718734741, 0.0, , 421.367156982422, 1.34635782241821, 0.0, 0.0, 252.626541137695, 0.829188704490662, 0.0, 0.0, 0.0, 0.0, 0.0, 0.491165786981583, 1.0, 0.0, 0.0, 0.0, 0.185307294130325, 0.0, 0.0, 0.082273855805397, 0.0, 0.0, 0.0, 0.0
-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, 4.0, 3.30192732810974, , , , , 0.0, 1.0, 1.88854146003723 1.88854146003723, 0.606017112731934 0.606017112731934, , 2.9395010471344 2.9395010471344, 0.757164776325226 0.757164776325226, , 3.74841833114624 3.74841833114624, , 0.0, 0.0, 0.813956320285797 0.813956320285797, 0.0, 0.25, 23.0, 13.3804693222046, 0.0, , 0.55776059627533, 16.0555553436279, 8.6850700378418, 0.0, , -0.29723384976387, , 2.0, 8.99173545837402, , 5.16992521286011, 0.117549858987331, 0.811611413955688, 0.0, , 5.68047332763672, 6.93551063537598, , 0.0, 0.125, -0.347718626260757, 0.0, , , 5.28008127212524, , 2.84960174560547, 0.403530567884445, 0.19245009124279, 4.17203426361084, 0.0, 1.83659911155701, 0.0, 3.0, 2.80516242980957, 0.0, 0.0, 0.800000011920929, 1.62443268299103, , , 0.0, , 0.972706854343414, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 990.039978027344, 0.0320750139653683, 0.0, 0.0226804614067078, 249.0, , 0.0, , , 52.5999984741211, 0.0, 2.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 636.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, , 0.0, 0.0, 8.42936229705811, 6.0, , , 10.5222234725952, , , , 0.0, , 0.0, , 21.0978755950928, , 19.9925518035889, 80.0, 897.025817871094, 0.0, 1.0, , 0.0, 10.7184152603149, , 25.5414905548096, 0.25, 980.922912597656, , 0.0, 6.05789613723755, 26.3209190368652, , 0.316138237714767, 1.41421353816986, 1214.66809082031, , 0.0, 3.74640512466431, , 28.0904273986816, 0.0, , 1225.19287109375, 2.42487955093384, , 0.0340206921100616, 1121.29919433594, 1.59838962554932, , 2.0, , 0.0, 0.0, 1.00626921653748, , 0.0, , , 0.487436830997467, 0.0, , 0.267081439495087, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC8H16O2%2Fc1-3-5-6-7-8%289%2910-4-2%2Fh3-7H2%2C1-2H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.0833333358168602 0.0833333358168602, 0.0, 0.492799282073975 0.492799282073975, 0.100592233240604 0.100592233240604, 0.0, 0.348461717367172 0.348461717367172, 0.0, 0.0, 0.0, 0.0711294487118721 0.0711294487118721, 0.0, 0.0, 8.0, 7.81999111175537, 0.0, 0.0, 0.268475741147995, 10.0, 4.80806064605713, 0.0, 0.0, -0.166817396879196, 0.0, 1.0, 7.11111116409302, 0.0, 4.32192802429199, 0.0585951693356037, 0.288675129413605, 0.0, 0.0, 7.0, 3.38962864875793, 0.0, 0.0, 0.125, -0.0217748712748289, 0.0, 0.0, 0.0, 2.08195114135742, 0.0, 3.05521059036255, -0.00472356239333749, 0.0, 1.37993609905243, 0.0, 0.516397774219513, 0.0, 5.0, 0.637136876583099, 0.0, 0.0, 1.0, 0.420630484819412, 0.0, 0.0, 0.0, 1.0, 0.144337564706802, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 535.02001953125, 0.0, 0.0, 0.0, 107.0, 0.0, 0.0, 0.0, 0.0, 26.2999992370605, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 150.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.32963848114014, 4.0, 0.0, 0.0, 2.30526971817017, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 11.5489377975464, 0.0, 9.99627590179443, 36.0, 364.535552978516, 0.0, 0.0, 0.0, 0.0, 6.8520302772522, 0.0, 10.7707452774048, 0.0, 348.049713134766, 0.0, 0.0, 3.96469044685364, 8.99627590179443, 0.0, 0.0589255653321743, 0.5, 337.183746337891, 0.0, 0.0, 2.26212787628174, 0.0, 7.99627590179443, 0.0, , 292.670379638672, 1.28977942466736, 0.0, 0.0, 241.074554443359, 0.752493977546692, 0.0, 2.0, 0.0, 0.0, 0.0, 0.350261896848679, 0.0, 0.0, 0.0, 0.0, 0.189177498221397, 0.0, 0.0, 0.0721687823534012, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H10O2%2Fc1-9-7-3-5-8%2810-2%296-4-7%2Fh3-6H%2C1-2H3, 0.0, 0.333333343267441, , , , , 0.0, 2.0, 0.985598564147949 0.985598564147949, 0.293217599391937 0.293217599391937, , 1.1148077249527 1.1148077249527, 0.281063169240952 0.281063169240952, , 1.04044008255005 1.04044008255005, , 0.0, 0.0, 0.201364278793335 0.201364278793335, 0.0, 0.200000002980232, 11.0, 7.39734125137329, 0.0, , 0.341361343860626, 8.10000038146973, 4.86370325088501, 0.0, , -0.187854304909706, , 0.0, 4.0, , 4.32192802429199, 0.011730239726603, 0.40824830532074, 0.0, , 2.28571438789368, 3.70324802398682, , 0.0, 0.142857149243355, -0.00762413209304214, 0.0, , , 3.12102699279785, , 2.30940103530884, -0.0593742430210114, 0.0, 2.04798078536987, 0.0, 1.26491105556488, 0.0, 0.0, 1.47140455245972, 0.0, 0.0, 0.75, 0.902368903160095, , , 0.0, , 0.402368932962418, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 310.019989013672, 0.0277777779847383, 0.0, 0.0226804614067078, 100.0, , 0.0, , , 18.4599990844727, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 125.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.117851130664349, , , , 3.30192732810974, 6.0, , , 5.65685415267944, , , , 0.0, , 0.0, , 11.5489377975464, , 11.3283681869507, 44.0, 425.904693603516, 0.0, 0.0, , 0.0, 6.1258978843689, , 13.3283681869507, 0.0, 455.539001464844, , 0.0, 3.04611206054688, 12.3283681869507, , 0.136082768440247, 0.0, 548.991271972656, , 0.0, 1.87965285778046, , 6.66418409347534, 0.0, , 455.967620849609, 1.29513692855835, , 0.0, 221.301391601562, 0.711809515953064, , 2.0, , 0.0, 0.0, 0.409094631671906, , 0.0, , , 0.179483890533447, 0.0, , 0.0731386989355087, 0.0, , 0.0, 
-InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh1%2C4H%2C3H2, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 1.0, 3.41421365737915, 0.0, 0.0, 0.110649704933167, 4.0, 1.91421353816986, 1.0, 0.0, -0.0633222535252571, 0.0, 0.0, 3.0, 0.0, 3.0, 0.00563787436112761, 0.0, 0.0, 0.0, 4.0, 1.0, 0.0, 0.0, 0.0, 0.00235952413640916, 0.0, 0.0, 0.0, 0.5, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 37.0099983215332, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 4.77446889877319, 0.0, 3.33209204673767, 10.0, 71.0493621826172, 0.0, 0.0, 0.0, 0.0, 2.23167061805725, 0.0, 2.33209204673767, 0.0, 56.3414535522461, 0.0, 0.0, 0.95845627784729, 1.33209192752838, 0.0, 0.0, 0.0, 34.5546264648438, 0.0, 0.0, 0.362238019704819, 0.0, 0.0, 0.0, , 13.6344547271729, 0.0912870913743973, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H15NO%2Fc1-3-12%284-2%2911-7-5-10%289-13%296-8-11%2Fh5-9H%2C3-4H2%2C1-2H3, 4.0, 0.333333343267441, , , , , 0.0, 2.0, 1.53323936462402 1.53323936462402, 0.694576621055603 0.694576621055603, , 2.15059351921082 2.15059351921082, 0.872533082962036 0.872533082962036, , 2.02712869644165 2.02712869644165, , 0.0, 0.0, 0.672693192958832 0.672693192958832, 0.0, 0.0, 17.0, 9.68179798126221, 0.0, , 0.220950543880463, 11.0769233703613, 6.31239175796509, 0.0, , -0.0952577963471413, , 0.0, 5.671875, , 4.70043992996216, -0.0174894165247679, 0.537457466125488, 0.0, , 3.0, 4.76563024520874, , 0.0, 0.25, 0.0099668251350522, 0.0, , , 4.18418312072754, , 3.85049629211426, -0.0113333631306887, 0.0833333358168602, 3.0232264995575, 0.0, 0.942809045314789, 0.0, 2.0, 1.9181045293808, 0.0, 0.0, 1.0, 1.17389130592346, , , 0.0, , 0.831284165382385, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 628.02001953125, 0.0277777779847383, 0.0, 0.0284601077437401, 153.0, , 0.0, , , 20.3099994659424, 1.0, 1.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 262.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.107038088142872, , , , 7.58572816848755, 5.0, , , 7.48614168167114, , , , 0.0, , 0.0, , 14.1344566345215, , 13.8306474685669, 58.0, 716.533081054688, 0.0, 0.0, , 0.0, 8.15642642974854, , 16.9968338012695, 0.0, 783.171875, , 0.0, 4.61602067947388, 17.9965553283691, , 0.282564043998718, 0.0, 975.334838867188, , 0.0, 2.88167333602905, , 13.8303689956665, 0.0, , 934.811218261719, 2.15776062011719, , 0.0372678004205227, 641.571044921875, 1.35246288776398, , 2.0, , 0.0, 0.0, 0.663800001144409, , 0.0, , , 0.32429426908493, 0.0, , 0.194792315363884, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC20H30O2%2Fc1-13%282%2914-6-8-16-15%2812-14%297-9-17-19%2816%2C3%2910-5-11-20%2817%2C4%2918%2821%2922%2Fh12%2C16-17H%2C5-11H2%2C1-4H3%2C%28H%2C21%2C22%29%2Ft16-%2C17%2B%2C19%2B%2C20%2B%2Fm0%2Fs1, 4.0, 4.77054214477539, 0.0, 0.0, 0.0, 0.0, 4.79417181015015, 0.0, 6.67987442016602 6.67987442016602, 4.80327558517456 4.80327558517456, 0.0, 10.3507375717163 10.3507375717163, 7.94043684005737 7.94043684005737, 0.0, 14.9735403060913 14.9735403060913, 0.0, 0.0, 0.0, 10.7882375717163 10.7882375717163, 0.0, 0.0, 45.0, 16.1209564208984, 0.0, 0.0, 0.196543991565704, 16.84375, 10.2873649597168, 0.0, 0.0, -0.0988880395889282, 0.0, 4.0, 5.81717443466187, 0.0, 5.45943164825439, 0.0151889445260167, 2.56078720092773, 0.0, 0.0, 2.60631012916565, 10.3335494995117, 0.0, 0.0, 1.06624269485474, -0.00609705271199346, 0.235702261328697, 0.0, 0.0, 8.98092079162598, 0.0, 7.41192483901978, 0.00306482356972992, 1.25924348831177, 7.22001552581787, 0.0, 6.50168895721436, 0.249296993017197, 7.0, 5.74754571914673, 0.0, 2.30940103530884, 1.0, 4.27081966400146, 0.0, 0.0, 0.0, 1.0, 3.32086515426636, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 2454.02001953125, 0.134364366531372, 0.0, 0.409736037254333, 354.0, 0.0, 3.0, 0.0, 0.0, 37.2999992370605, 1.0, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 943.0, 0.0, 0.0, 0.167184934020042, 1.0, 0.492719799280167, 0.0, 0.0, 0.0, 9.12534141540527, 7.0, 0.0, 0.0, 16.7050762176514, 0.0, 0.0, 0.0, 0.0, , 6.39922857284546, 0.0, 23.5489387512207, 0.0, 24.6641845703125, 124.0, 1958.99682617188, 0.0, 2.0, 0.0, 0.0, 14.537260055542, 0.0, 39.4386520385742, 0.5, 2400.87768554688, 0.0, 0.0, 8.8904914855957, 46.9925537109375, 0.0, 2.03974747657776, 0.0, 3714.4404296875, 0.0, 0.0, 8.50900459289551, 0.0, 41.9925537109375, 0.219913199543953, , 4100.34765625, 7.13479328155518, 0.0, 0.725796043872833, 3376.17309570312, 5.82088851928711, 0.0, 4.0, 0.0, 0.138051629066467, 0.0, 4.30048274993896, 1.0, 0.0, 0.0, 0.0, 3.12341356277466, 0.0, 0.0, 2.20435452461243, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC14H11N%2Fc1-2-15-13-9-5-3-7-11%2813%2912-8-4-6-10-14%2812%2915%2Fh2-10H%2C1H2, 0.0, 4.24264049530029, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.26890754699707 2.26890754699707, 0.924153625965118 0.924153625965118, 0.0, 4.47903871536255 4.47903871536255, 1.49645066261292 1.49645066261292, 0.0, 6.63623857498169 6.63623857498169, 0.0, 0.0, 0.0, 1.82535314559937 1.82535314559937, 0.0, 0.0, 25.0, 10.2507123947144, 0.0, 0.0, 0.0756036639213562, 10.1730108261108, 7.41501474380493, 0.0, 0.0, -0.0382156297564507, 0.0, 0.0, 4.10763883590698, 0.0, 4.90689039230347, -0.00741452258080244, 0.680413842201233, 1.0, 0.0, 1.55555558204651, 6.29643535614014, 0.0, 0.0, 0.0, 0.00607605930417776, 0.0, 0.0, 0.0, 5.8709511756897, 0.0, 2.17207884788513, 0.00161330820992589, 0.277777791023254, 5.42581701278687, 0.0, 1.15470051765442, 0.0, 0.0, 4.59978055953979, 0.0, 0.0, 0.5, 3.01023840904236, 0.0, 0.0, 0.0, 0.0, 2.15149784088135, 8.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0279508493840694, 0.0, 0.0, 574.010009765625, 0.13624270260334, 0.0, 0.194471165537834, 164.0, 0.0, 0.0, 0.0, 0.0, 4.92999982833862, 1.0, 2.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 319.0, 0.0641500279307365, 0.0, 0.393471270799637, 0.0, 0.686861217021942, 0.0, 1.0, 0.0, 11.6542530059814, 10.0, 0.0, 0.0, 14.7934236526489, 0.0, 0.0, 0.0, 1.0, , 0.0, 0.0, 15.3599882125854, 0.0, 17.498556137085, 82.0, 1114.353515625, 4.0, 0.0, 0.0, 0.0, 8.35047245025635, 0.0, 24.8309268951416, 0.0, 1346.72265625, 0.0, 0.0, 5.01836109161377, 25.6647415161133, 0.0, 0.3379867374897, 0.0, 1976.96423339844, 0.0, 0.0, 3.58687448501587, 0.0, 21.3323707580566, 0.0, , 1904.943359375, 2.79991936683655, 0.0, 0.095368929207325, 1393.65417480469, 2.14939785003662, 0.0, 0.0, 0.0, 0.0, 0.0, 1.50560522079468, 0.0, 0.0, 0.0, 0.0, 0.809225916862488, 0.0, 0.0, 0.478068560361862, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H9Cl%2Fc1-2-8-4-3-5-9%286-8%297-10%2Fh2-6H%2C1%2C7H2, 1.0, 0.5, , , , , 0.0, 2.0, 0.932625710964203 0.932625710964203, 0.432307034730911 0.432307034730911, , 1.22850155830383 1.22850155830383, 0.48026841878891 0.48026841878891, , 1.35230541229248 1.35230541229248, , 0.0, 0.0, 0.452348917722702 0.452348917722702, 0.0, 0.0, 11.0, 7.39734125137329, 0.0, , 0.0452393852174282, 8.10000038146973, 4.86370325088501, 0.0, , -0.0181642025709152, , 0.0, 4.0, , 4.32192802429199, -0.00253874761983752, 0.40824830532074, , , 2.28571438789368, 3.71515321731567, , 0.0, 0.0, 0.00113043701276183, 0.0, , , 3.04611206054688, , 1.93097877502441, -0.00672642653807998, 0.0, 2.14388990402222, 0.0, 0.70710676908493, 0.0, 1.0, 1.59341299533844, 0.0, 0.0, 1.0, 0.745812296867371, , , 0.0, , 0.353553384542465, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 271.010009765625, 0.0277777779847383, 0.0, 0.0356793627142906, 90.0, , 0.0, , , 0.0, 1.0, 2.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 121.0, 0.0, 0.0, 0.0833333358168602, 1.0, 0.117851130664349, , , , 6.60350227355957, 4.0, , , 7.41257619857788, , , , 1.0, , 0.0, , 17.7127532958984, , 11.9517374038696, 44.0, 579.768676757812, 0.0, 0.0, , 0.0, 6.43485832214355, , 13.9517374038696, 0.0, 619.508666992188, , 0.0, 3.67362785339355, 14.9034748077393, , 0.214076176285744, 0.0, 740.658569335938, , 0.0, 2.35005187988281, , 10.9034748077393, 0.0, , 626.172973632812, 1.64965069293976, , 0.0, 358.430084228516, 0.969446897506714, , 0.0, , 0.0, 0.0, 0.616016983985901, , 0.0, , , 0.254681527614594, 0.0, , 0.103384658694267, 1.0, , 0.0, 
-InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.104592353105545, 3.0, 1.41421353816986, 0.0, 0.0, -0.0697282329201698, 0.0, 0.0, 2.0, 0.0, 2.58496260643005, 0.0174320582300425, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0200004577637, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 18.4255065917969, 0.0, 5.90347480773926, 6.0, 91.8749542236328, 0.0, 0.0, 0.0, 0.0, 2.97489356994629, 0.0, 8.71275329589844, 0.0, 64.7898406982422, 0.0, 0.0, 1.60356748104095, 0.0, 0.0, 0.0, 0.0, 24.6561908721924, 0.0, 0.0, 0.909137308597565, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H9N%2Fc1-2-4-10%285-3-1%2911-6-8-12-9-7-11%2Fh1-9H, 2.0, 1.0, , , , , 0.0, 2.0, 0.942809045314789 0.942809045314789, 0.38490018248558 0.38490018248558, , 1.5 1.5, 0.487477600574493 0.487477600574493, , 1.88561809062958 1.88561809062958, , 0.0, 0.0, 0.477051168680191 0.477051168680191, 0.0, 0.0, 14.0, 8.22576808929443, 0.0, , 0.0639991909265518, 8.59171581268311, 5.96632671356201, 0.0, , -0.0352284945547581, , 0.0, 4.296875, , 4.58496236801147, 0.000512824684847146, 0.333333343267441, 0.0, , 2.25, 4.7961802482605, , 0.0, 0.0, 0.00273613049648702, 0.0, , , 3.96632647514343, , 0.0, -1.95450629689731e-05, 0.0833333358168602, 3.21114253997803, 0.0, 0.0, 0.0, 0.0, 2.55807828903198, 0.0, 0.0, 0.75, 1.17851126194, , , 0.0, , 0.833333313465118, 9.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 352.010009765625, 0.0569202154874802, 0.0, 0.0284601077437401, 140.0, , 0.0, , , 12.8900003433228, 0.0, 2.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 198.0, 0.0, 0.0, 0.20412415266037, 0.0, 0.117851130664349, , , 0.0, 12.7816572189331, 7.0, , , 9.02609539031982, , , , 0.0, , 0.0, , 12.3599882125854, , 13.3323707580566, 58.0, 683.211303710938, 0.0, 0.0, , 0.0, 6.64336585998535, , 16.3323707580566, 0.0, 763.20849609375, , 0.0, 3.92109823226929, 14.1661853790283, , 0.16666667163372, 0.0, 955.850463867188, , 0.0, 2.60191416740417, , 10.1661853790283, 0.0, , 826.473876953125, 1.78744292259216, , 0.0277777779847383, 543.244445800781, 1.17496716976166, , 0.0, , 0.0, 0.0, 0.74839848279953, , 0.0, , , 0.28460106253624, 0.0, , 0.160140365362167, 0.0, 0.0, 0.0, 
-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, 3.0, 0.965489387512207, , , , , 1.04004192352295, 2.0, 2.72374987602234 2.72374987602234, 1.38607585430145 1.38607585430145, , 3.11561489105225 3.11561489105225, 1.32890009880066 1.32890009880066, , 3.27341508865356 3.27341508865356, , 0.0, 0.0, 1.10385501384735 1.10385501384735, 0.0, 0.0, 19.0, 11.4746913909912, 0.0, , 0.297865867614746, 13.0666666030884, 6.93087005615234, 0.0, , -0.271272033452988, , 1.0, 5.36507940292358, , 4.90689039230347, 0.211214855313301, 2.00316214561462, 0.0, , 4.16528940200806, 6.83279705047607, , 0.0, 1.41421353816986, -0.0962623730301857, 0.288675129413605, , , 4.50412368774414, , 4.11895322799683, -0.00108435098081827, 0.433012694120407, 2.99987840652466, 0.0, 2.96636366844177, 0.144337564706802, 0.0, 2.17652297019958, 0.0, 2.37841415405273, 0.800000011920929, 1.47153210639954, , , 0.0, , 0.898810923099518, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 1.0, 814.030029296875, 0.0277777779847383, 0.0, 0.0252291187644005, 205.0, , 0.0, , , 41.8199996948242, 0.0, 1.0, 0.444444447755814, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.0, 1.0, , , 402.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.100592233240604, , 0.0, 0.0, 3.30192732810974, 5.0, , , 6.29469060897827, , , , 0.0, , 1.63299322128296, , 16.9089260101318, , 16.3286457061768, 72.0, 821.576171875, 0.0, 0.0, , 0.0, 9.61207675933838, , 23.5455856323242, 0.0, 907.843078613281, , 0.0, 4.87404251098633, 20.8266448974609, , 1.44219958782196, 0.5, 1205.78479003906, , 0.0, 4.38262033462524, , 16.3286457061768, 0.25, , 1057.46923828125, 2.12076687812805, , 0.25, 778.371337890625, 1.1740300655365, , 4.0, , 0.0833333358168602, 0.0, 0.685666978359222, , 0.0, , , 0.394368141889572, 0.0, , 0.193701833486557, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC10H10N2O2S%2Fc1-9-2-4-10%285-3-9%2915%2813%2C14%2912-7-6-11-8-12%2Fh2-8H%2C1H3, 3.0, 0.333333343267441, , , , , 0.0, 2.0, 3.31981921195984 3.31981921195984, 1.36823511123657 1.36823511123657, , 4.45655536651611 4.45655536651611, 1.48931133747101 1.48931133747101, , 5.37926387786865 5.37926387786865, , 0.0, 0.0, 1.53388929367065 1.53388929367065, 0.0, 0.0, 21.0, 10.8889055252075, 0.0, , 0.27609857916832, 11.484375, 7.10419034957886, 0.0, , -0.190509706735611, , 0.0, 4.47258996963501, , 4.90689039230347, 0.145308494567871, 1.48803389072418, , , 2.39714622497559, 6.75954341888428, , 0.0, 0.0, -0.125675484538078, 0.16666667163372, , , 5.47542476654053, , 1.78772068023682, 0.0355806425213814, 0.622008442878723, 4.00725889205933, 0.0, 1.0, 0.16666667163372, 0.0, 2.59161996841431, 0.0, 0.0, 1.0, 1.82472658157349, , , 0.0, , 0.77901428937912, 7.0, , 0.0, 0.0, 0.0, 0.0, , 0.0384900197386742, , 0.0, 466.049987792969, 0.0611528567969799, 0.0, 0.0958023443818092, 195.0, , 0.0, , , 60.3400001525879, 0.0, 1.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.5, 0.0, , , 355.0, 0.144337564706802, 0.0, 0.155502110719681, 0.0, 0.311004221439362, , , , 6.77558326721191, 5.0, , , 5.98999404907227, , , , 0.0, , 0.0, , 23.3966674804688, , 25.5607891082764, 78.0, 1078.71911621094, 0.0, 0.0, , 0.0, 8.61948585510254, , 33.0832710266113, 0.5, 1248.62634277344, , 0.0, 5.21682691574097, 31.1119251251221, , 0.735647737979889, 0.0, 1753.9638671875, , 0.0, 4.24653482437134, , 23.2678241729736, 0.0323152802884579, , 1546.70031738281, 2.99759459495544, , 0.151171177625656, 1193.07055664062, 1.8485780954361, , 1.0, , 0.0215435195714235, 0.0, 1.17412769794464, , 0.0, , , 0.697516262531281, 0.0, , 0.293899923563004, 0.0, , 0.0, 
-InChI%3D1S%2FC8H6ClNO4%2Fc1-14-8%2811%296-3-2-5%289%294-7%286%2910%2812%2913%2Fh2-4H%2C1H3, 0.0, 3.14734530448914, , , , , 0.0, 3.0, 2.36624550819397 2.36624550819397, 0.659362733364105 0.659362733364105, , 3.30146932601929 3.30146932601929, 0.765138983726501 0.765138983726501, , 4.91273880004883 4.91273880004883, , 0.0, 0.0, 0.862528324127197 0.862528324127197, 0.0, 0.0, 20.0, 10.7151784896851, 0.0, , 0.391518086194992, 12.0714282989502, 6.55774927139282, 0.0, , -0.158024147152901, , 1.0, 5.18559551239014, , 4.80735492706299, 0.115340352058411, 1.12987625598907, 0.0, , 2.99432897567749, 5.8754825592041, , 0.0, 0.0, -0.159094378352165, 0.0, , , 4.4484338760376, , 0.646330416202545, -0.124707818031311, 0.287863373756409, 3.22411012649536, 0.0, 1.15470051765442, 0.0, 0.0, 2.65014052391052, 0.0, 0.0, 0.75, 1.38608133792877, , , 0.0, , 0.636042535305023, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 218.059997558594, 0.0240562614053488, 0.0, 0.0500636547803879, 144.0, , 0.0, , , 72.120002746582, 0.0, 1.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 291.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.146608799695969, , 0.0, 0.0, 1.65096366405487, 5.0, , , 6.83080291748047, , 0.0, , 0.0, , 0.0, , 25.170618057251, , 18.2211303710938, 66.0, 665.404541015625, 0.0, 0.0, , 0.0, 7.94615077972412, , 26.113151550293, 0.814325273036957, 753.2607421875, , 0.0, 3.96023225784302, 27.3908576965332, , 0.404635220766068, 0.814325273036957, 993.983459472656, , 0.0, 2.84659814834595, , 26.9880466461182, 0.0, , 956.203857421875, 1.79688107967377, , 0.0414203181862831, 703.240417480469, 1.10475945472717, , 1.0, , 0.0, 0.0, 0.719706177711487, , 0.0, , , 0.313050210475922, 0.0, , 0.114158689975739, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H5ClN2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-3H%2C10H2, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 1.4182003736496 1.4182003736496, 0.493184357881546 0.493184357881546, , 1.83720648288727 1.83720648288727, 0.503057897090912 0.503057897090912, , 2.34755921363831 2.34755921363831, , 0.0, 0.25, 0.55524343252182 0.55524343252182, 0.0, 0.0, 12.0, 7.56047773361206, 0.0, , 0.170343860983849, 8.10000038146973, 4.73638200759888, 0.0, , -0.0217746645212173, , 0.0, 3.40828394889832, , 4.32192802429199, -0.0157693233340979, 0.6910440325737, 0.0, , 1.99111115932465, 4.06383609771729, , 0.0, 0.0, -0.054708618670702, 0.0, , , 3.14904141426086, , 0.0, -0.0504266209900379, 0.117851130664349, 2.21913194656372, 0.0, 0.0, 0.0, 0.0, 1.67126762866974, 0.0, 0.0, 0.666666686534882, 0.587806642055511, , , 0.0, , 0.212378948926926, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 135.029998779297, 0.0240562614053488, 0.0, 0.0531942546367645, 80.0, , 0.0, , , 49.810001373291, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 115.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.184195280075073, , , , 2.62074136734009, 5.0, , , 7.48569059371948, , , , 0.0, , 0.0, , 18.4327297210693, , 12.2841081619263, 46.0, 527.452514648438, 0.0, 0.0, , 0.0, 5.89050817489624, , 17.4020309448242, 0.0, 579.319946289062, , 1.0, 3.06726241111755, 16.7344017028809, , 0.344484359025955, 0.0, 727.70849609375, , 0.0, 2.27981162071228, , 11.7620182037354, 0.0, , 596.498962402344, 1.37088894844055, , 0.0240562614053488, 278.683288574219, 0.797429203987122, , 0.0, , 0.0, 0.0, 0.511216402053833, , 1.0, , , 0.150086522102356, 1.0, , 0.0282671600580215, 0.0, 1.0, 0.0, 
-InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 1.0, 3.41421365737915, 0.0, 0.0, 0.0995760634541512, 4.0, 1.91421353816986, 0.0, 0.0, -0.0248940158635378, 0.0, 0.0, 3.0, 0.0, 3.0, -0.0497880317270756, 0.0, 0.0, 0.0, 4.0, 1.0, 0.0, 0.0, 0.0, 0.0248940158635378, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 37.0200004577637, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 19.4255065917969, 0.0, 6.90347480773926, 10.0, 144.702377319336, 0.0, 0.0, 0.0, 0.0, 3.68200039863586, 0.0, 5.90347480773926, 0.0, 115.754745483398, 0.0, 0.0, 2.10356736183167, 8.71275329589844, 0.0, 0.0, 0.0, 69.4671401977539, 0.0, 0.0, 1.13389337062836, 0.0, 0.0, 0.0, , 26.0635776519775, 0.642857134342194, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H4ClFO%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-4H, 0.0, 2.38110160827637, , , , , 0.0, 3.0, 1.53953051567078 1.53953051567078, 0.582990348339081 0.582990348339081, , 2.45907616615295 2.45907616615295, 0.629416704177856 0.629416704177856, , 2.35705637931824 2.35705637931824, , 0.0, 0.0, 0.51647961139679 0.51647961139679, 0.0, 0.0, 13.0, 7.56047773361206, 0.0, , 0.270937412977219, 8.10000038146973, 4.75321865081787, 0.0, , -0.0516311824321747, , 0.0, 3.40828394889832, , 4.32192802429199, -0.00291980430483818, 0.607487261295319, 0.0, , 1.75, 3.95757436752319, , 0.0, 0.0, -0.205329179763794, 0.0, , , 3.25214004516602, , 0.0, 0.125808760523796, 0.19245009124279, 2.55553245544434, 0.0, 0.0, 0.0, 0.0, 1.23876953125, 0.0, 0.0, 0.666666686534882, 0.652908384799957, , , 0.0, , 0.19245009124279, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 106.029998779297, 0.0240562614053488, 0.0, 0.0502585358917713, 74.0, , 0.0, , , 17.0699996948242, 1.0, 1.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 112.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.184195280075073, , 0.0, 0.0, 2.94168281555176, 5.0, , , 6.4474196434021, , , , 0.0, , 0.0, , 19.9892673492432, , 12.8656148910522, 46.0, 470.634307861328, 0.0, 0.0, , 0.0, 5.72950744628906, , 18.3991374969482, 0.0, 521.519958496094, , 0.0, 3.02432322502136, 21.2647514343262, , 0.29038667678833, 0.0, 655.822326660156, , 0.0, 2.16038513183594, , 18.9057903289795, 0.0, , 554.612243652344, 1.44714856147766, , 0.0629940778017044, 247.103988647461, 0.830850064754486, , 0.0, , 0.0, 0.0, 0.374910205602646, , 0.0, , , 0.143817186355591, 0.0, , 0.0323382578790188, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC10H18O4%2Fc1-3-13-9%2811%297-5-6-8-10%2812%2914-4-2%2Fh3-8H2%2C1-2H3, 4.0, 0.200000002980232, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.816496610641479 0.816496610641479, 0.16666667163372 0.16666667163372, 0.0, 0.985598564147949 0.985598564147949, 0.201184466481209 0.201184466481209, 0.0, 0.696923434734344 0.696923434734344, 0.0, 0.0, 0.0, 0.142258897423744 0.142258897423744, 0.0, 0.142857149243355, 13.0, 10.8115549087524, 0.0, 0.0, 0.536981642246246, 14.0, 6.70190715789795, 0.0, 0.0, -0.333402872085571, 0.0, 2.0, 9.55102062225342, 0.0, 4.80735492706299, 0.119543395936489, 0.577350258827209, 0.0, 0.0, 9.37278079986572, 5.07215070724487, 0.0, 0.0, 0.0909090936183929, -0.0290765035897493, 0.0, 0.0, 0.0, 3.20679569244385, 0.0, 2.66155052185059, 0.0309501327574253, 0.0, 2.25987219810486, 0.0, 0.816496610641479, 0.0, 6.0, 1.06893193721771, 0.0, 0.0, 0.833333313465118, 0.632979512214661, 0.0, 0.0, 0.0, 2.0, 0.47052201628685, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 779.039978027344, 0.0, 0.0, 0.0, 216.0, 0.0, 0.0, 0.0, 0.0, 52.5999984741211, 0.0, 0.0, 0.454545468091965, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 401.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.00828838348389, 4.0, 0.0, 0.0, 4.55118703842163, 0.0, 0.0, 0.0, 0.0, , 0.0, 2.0, 17.0978755950928, 0.0, 14.9925518035889, 54.0, 513.386962890625, 0.0, 0.0, 0.0, 0.0, 8.87563419342041, 0.0, 17.5414905548096, 0.142857149243355, 508.504150390625, 0.0, 0.0, 5.01516723632812, 14.9925518035889, 0.0, 0.117851130664349, 1.06904494762421, 529.416748046875, 0.0, 0.0, 2.81714916229248, 0.0, 13.9925518035889, 0.0, , 488.577301025391, 1.62245213985443, 0.0, 0.0, 435.421325683594, 1.00498795509338, 0.0, 2.0, 0.0, 0.0, 0.0, 0.513023793697357, 0.0, 0.0, 0.0, 0.0, 0.27629292011261, 0.0, 0.0, 0.149919837713242, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H7NO2%2Fc1-12-9%2811%298-4-2-7%286-10%293-5-8%2Fh2-5H%2C1H3, 0.0, 1.31037068367004, , , , , 0.0, 2.0, 1.58205497264862 1.58205497264862, 0.387538462877274 0.387538462877274, , 1.86607563495636 1.86607563495636, 0.38329216837883 0.38329216837883, , 1.84254634380341 1.84254634380341, , 0.0, 0.0, 0.330900698900223 0.330900698900223, 0.0, 0.0, 15.0, 8.97469139099121, 0.0, , 0.370030730962753, 10.0833330154419, 5.77438688278198, 0.0, , -0.198395818471909, , 1.0, 4.88888883590698, , 4.58496236801147, 0.0694977566599846, 0.606493055820465, 0.0, , 2.77777767181396, 4.57458591461182, , 0.0, 0.0, -0.033412653952837, 0.0, , , 3.91745018959045, , 1.02220594882965, 0.0176529102027416, 0.117851130664349, 2.49884915351868, 0.0, 0.908560276031494, 0.0, 0.0, 1.73876953125, 0.0, 0.0, 1.0, 1.1175240278244, , , 0.0, , 0.706875443458557, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 229.029998779297, 0.0277777779847383, 0.0, 0.0277777779847383, 138.0, , 0.0, , , 50.0900001525879, 0.0, 2.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 210.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.107038088142872, , , 0.0, 4.88359355926514, 4.0, , , 8.04132747650146, , , , 0.0, , 0.0, , 13.9089260101318, , 13.1624612808228, 54.0, 525.747924804688, 0.0, 0.0, , 0.0, 6.57311105728149, , 16.6048374176025, 0.0, 577.1376953125, , 0.0, 3.3614706993103, 16.9928302764893, , 0.20833332836628, 0.5, 717.514221191406, , 0.0, 2.18073534965515, , 11.660737991333, 0.0, , 638.136169433594, 1.4350973367691, , 0.0138888889923692, 382.135833740234, 0.798697352409363, , 1.0, , 0.0, 0.0, 0.477908939123154, , 1.0, , , 0.203031122684479, 1.0, , 0.0869697779417038, 1.0, 1.0, 0.0, 
-InChI%3D1S%2FC6H15N3%2Fc7-1-4-9-5-2-8-3-6-9%2Fh8H%2C1-7H2, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.433012694120407 0.433012694120407, 0.335410207509995 0.335410207509995, 0.0, 0.654647946357727 0.654647946357727, 0.413523942232132 0.413523942232132, 0.0, 0.637136876583099 0.637136876583099, 0.0, 0.0, 0.0, 0.328457921743393 0.328457921743393, 0.16666667163372, 0.0, 8.0, 6.52709770202637, 0.333333343267441, 0.0, 0.19924034178257, 7.11111116409302, 4.43185186386108, 0.0, 0.0, -0.104994580149651, 0.0, 0.0, 3.92000007629395, 0.0, 4.16992521286011, -0.105872131884098, 0.20412415266037, 0.0, 0.0, 2.38016533851624, 3.29271101951599, 0.0, 0.0, 0.0, 0.154904410243034, 0.0, 0.0, 0.0, 2.42166829109192, 0.0, 0.0, -0.0168253853917122, 0.0, 1.88406312465668, 0.0, 0.0, 0.0, 6.0, 1.30929589271545, 0.0, 0.0, 1.0, 0.492799282073975, 0.0, 0.0, 0.0, 0.0, 0.246399641036987, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 504.029998779297, 0.0559016987681389, 0.0, 0.0395284704864025, 81.0, 0.0, 0.0, 0.0, 0.0, 41.2900009155273, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 94.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, 0.0, 0.0, 0.0, 6.67872285842896, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 10.079963684082, 0.0, 9.99711132049561, 38.0, 435.182708740234, 0.0, 0.0, 0.0, 0.0, 5.76720476150513, 0.0, 10.9971113204956, 0.0, 454.316772460938, 0.0, 1.0, 3.56403827667236, 8.7199764251709, 0.0, 0.15811388194561, 0.0, 511.097747802734, 0.0, 0.0, 2.38031601905823, 0.0, 5.4985556602478, 0.0, , 393.428100585938, 1.65494298934937, 0.0, 0.0, 209.217834472656, 1.11732602119446, 0.0, 0.0, 0.0, 0.0, 0.0, 0.688116431236267, 0.0, 0.0, 0.0, 0.0, 0.22266361117363, 0.0, 0.0, 0.101545244455338, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H11NO3%2Fc14-9-6-7-11%2812%2815%298-9%2913%2816%2917-10-4-2-1-3-5-10%2Fh1-8%2C15H%2C14H2, 0.0, 4.13085174560547, , , , , 0.0, 4.0, 2.21582221984863 2.21582221984863, 0.558330416679382 0.558330416679382, , 3.52377390861511 3.52377390861511, 0.63447767496109 0.63447767496109, , 4.234046459198 4.234046459198, , 0.0, 0.0, 0.625299274921417 0.625299274921417, 0.0, 0.0, 23.0, 12.2507123947144, 0.0, , 0.374904334545135, 13.4320983886719, 8.16470336914062, 0.0, , -0.165715828537941, , 1.0, 6.25, , 5.08746290206909, 0.0600268132984638, 1.10028660297394, 0.0, , 3.72889423370361, 7.27638483047485, , 0.0, 0.0, -0.177839636802673, 0.0, , , 5.65861988067627, , 0.0, 0.135377869009972, 0.19245009124279, 4.65758228302002, 0.0, 0.0, 0.0, 0.0, 3.21585988998413, 0.0, 0.0, 1.0, 2.0134756565094, , , 0.0, , 0.991127252578735, 8.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 569.039978027344, 0.0561312772333622, 0.0, 0.0497698783874512, 272.0, , 0.0, , , 72.5500030517578, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 546.0, 0.0, 0.0, 0.170103460550308, 0.0, 0.24753525853157, , 0.0, 0.0, 8.131911277771, 11.0, , , 12.2879676818848, , , , 0.0, , 0.0, , 19.6833953857422, , 19.4945526123047, 84.0, 899.480651855469, 0.0, 0.0, , 0.0, 8.95986270904541, , 27.0993919372559, 0.25, 1013.64093017578, , 1.0, 5.02337169647217, 26.6532897949219, , 0.342651605606079, 0.70710676908493, 1318.89196777344, , 0.0, 3.47915863990784, , 23.9253253936768, 0.0, , 1218.22229003906, 2.19545602798462, , 0.0306620299816132, 934.036437988281, 1.37183475494385, , 0.0, , 0.0, 0.0, 0.831392526626587, , 0.0, , , 0.344313681125641, 0.0, , 0.145296826958656, 1.0, 0.0, 0.0, 
-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, 3.0, 3.30192732810974, , , , , 0.0, 3.0, 2.43504238128662 2.43504238128662, 1.07702970504761 1.07702970504761, , 4.17402601242065 4.17402601242065, 1.65428960323334 1.65428960323334, , 6.2009449005127 6.2009449005127, , 0.0, 0.0, 2.10011291503906 2.10011291503906, 0.0, 0.0, 28.0, 13.5436058044434, 0.0, , 0.439872741699219, 16.0555553436279, 8.68860054016113, 0.0, , -0.283845722675323, , 1.0, 8.22684288024902, , 5.16992521286011, 0.101935885846615, 0.816229462623596, 0.0, , 3.99583768844604, 6.6829719543457, , 0.0, 0.451168537139893, -0.0707943215966225, 0.0, , , 5.77849531173706, , 5.12322807312012, 0.0213385242968798, 0.252697080373764, 4.55618572235107, 0.0, 3.27953839302063, 0.0, 4.0, 3.67804598808289, 0.0, 0.0, 0.75, 2.2061812877655, , , 0.0, , 1.09092390537262, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 1138.0400390625, 0.0240562614053488, 0.0, 0.0447789765894413, 199.0, , 0.0, , , 29.5400009155273, 0.0, 2.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 569.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.135508760809898, , 0.0, 0.0, 6.41050004959106, 6.0, , , 11.7720756530762, , 1.0, , 0.0, , 0.0, , 27.6216793060303, , 21.446569442749, 82.0, 1180.94067382812, 0.0, 0.0, , 0.0, 11.9580812454224, , 26.8893165588379, 0.0, 1337.33093261719, , 0.0, 6.6851634979248, 35.5335540771484, , 0.403632521629333, 0.25, 1782.46008300781, , 0.0, 4.27240991592407, , 36.8369598388672, 0.0, , 2004.66821289062, 3.13706588745117, , 0.0882295519113541, 1867.35388183594, 2.1685688495636, , 3.0, , 0.0, 0.0, 1.4793416261673, , 0.0, , , 0.801738023757935, 0.0, , 0.354189842939377, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC3H7Br%2Fc1-2-3-4%2Fh2-3H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 1.0, 3.41421365737915, 0.0, 0.0, 0.0292397048324347, 4.0, 1.91421353816986, 0.0, 0.0, -0.0119639169424772, 0.0, 0.0, 3.0, 0.0, 3.0, -0.00245509226806462, 0.0, 0.0, 0.0, 4.0, 1.0, 0.0, 0.0, 0.0, -0.00020084239076823, 0.0, 0.0, 0.0, 0.5, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 88.0100021362305, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 47.2580909729004, 0.0, 8.65267562866211, 10.0, 167.500930786133, 0.0, 0.0, 0.0, 0.0, 4.37817478179932, 0.0, 7.65267562866211, 0.0, 132.469711303711, 0.0, 0.0, 2.59583687782288, 6.65267562866211, 0.0, 0.0, 0.0, 80.8474044799805, 0.0, 0.0, 1.48198056221008, 0.0, 0.0, 0.0, , 32.1213531494141, 0.981980502605438, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H15NO%2Fc1-3-7%284-2%295-6-8%2Fh8H%2C3-6H2%2C1-2H3, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.55258584022522 0.55258584022522, 0.428031176328659 0.428031176328659, 0.0, 0.637136876583099 0.637136876583099, 0.431720674037933 0.431720674037933, 0.0, 0.288675129413605 0.288675129413605, 0.0, 0.0, 0.0, 0.100000001490116 0.100000001490116, 0.0, 0.0, 7.0, 6.40577745437622, 0.0, 0.0, 0.183996796607971, 8.0, 3.84606528282166, 0.0, 0.0, -0.0877182856202126, 0.0, 0.0, 5.14285707473755, 0.0, 4.0, -0.0672216787934303, 0.20412415266037, 0.0, 0.0, 3.67346930503845, 2.4711971282959, 0.0, 0.0, 0.25, 0.094958208501339, 0.0, 0.0, 0.0, 1.85162401199341, 0.0, 3.26598644256592, -0.0236931145191193, 0.0, 1.10517168045044, 0.0, 0.0, 0.0, 4.0, 0.40824830532074, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 428.019989013672, 0.0, 0.0, 0.0, 54.0, 0.0, 0.0, 0.0, 0.0, 23.4699993133545, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 72.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.94168281555176, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 9.13445663452148, 0.0, 7.83064794540405, 28.0, 318.789672851562, 0.0, 0.0, 0.0, 0.0, 5.72285413742065, 0.0, 7.83064794540405, 0.0, 307.36474609375, 0.0, 0.0, 3.17912459373474, 7.55346584320068, 0.0, 0.15811388194561, 0.0, 307.840240478516, 0.0, 0.0, 1.7504894733429, 0.0, 5.66418409347534, 0.0, , 264.061218261719, 1.31065499782562, 0.0, 0.0, 148.105316162109, 0.68125593662262, 0.0, 2.0, 0.0, 0.0, 0.0, 0.141421362757683, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H8O%2Fc1-3-4%282%295%2Fh3H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.144337564706802 0.144337564706802, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.28445720672607, 0.0, 0.0, 0.121051333844662, 5.0, 2.27005553245544, 0.0, 0.0, -0.0234593264758587, 0.0, 1.0, 2.25, 0.0, 3.32192802429199, -0.0351546294987202, 0.40824830532074, 0.0, 0.0, 4.0, 1.80209517478943, 0.0, 0.0, 0.333333343267441, -0.00191171187907457, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 0.0, 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 124.01000213623, 0.0, 0.0, 0.0, 19.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.77446889877319, 0.0, 4.33209180831909, 16.0, 131.30891418457, 0.0, 0.0, 0.0, 0.0, 3.61535501480103, 0.0, 4.66418409347534, 0.0, 113.569328308105, 0.0, 0.0, 1.76478433609009, 2.33209204673767, 0.0, 0.144337564706802, 0.0, 99.0038299560547, 0.0, 0.0, 1.05556845664978, 0.0, 0.0, 0.0, , 42.9347267150879, 0.497890949249268, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.577350258827209 0.577350258827209, 0.228824555873871 0.228824555873871, 0.0, 0.288675129413605 0.288675129413605, 0.0707106813788414 0.0707106813788414, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 4.99156379699707, 0.0, 0.0, 0.0238622296601534, 6.0, 2.80806040763855, 0.0, 0.0, 0.00603731954470277, 0.0, 1.0, 3.20000004768372, 0.0, 3.58496260643005, -0.0113967172801495, 0.288675129413605, 0.0, 0.0, 3.0, 1.92166829109192, 0.0, 0.0, 0.333333343267441, -0.00616778479889035, 0.0, 0.0, 0.0, 1.39384686946869, 0.0, 1.41421353816986, -0.000403932470362633, 0.0, 0.288675129413605, 0.0, 1.41421353816986, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 166.020004272461, 0.0, 0.0, 0.0, 29.0, 0.0, 0.0, 0.0, 0.0, 32.5900001525879, 0.0, 0.0, 0.5, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 31.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.13445711135864, 0.0, 5.719651222229, 20.0, 184.655426025391, 0.0, 0.0, 0.0, 0.0, 4.10153388977051, 0.0, 5.66446256637573, 0.0, 168.299468994141, 0.0, 0.0, 1.98426699638367, 4.8303689956665, 0.0, 0.15811388194561, 0.0, 157.388046264648, 0.0, 0.0, 1.18882751464844, 0.0, 1.33209192752838, 0.0, , 99.636474609375, 0.682377934455872, 0.0, 0.0, 19.2929401397705, 0.0707106813788414, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H10O%2Fc14-13%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H, 0.0, 2.38110160827637, , , , , 0.0, 2.0, 1.54151904582977 1.54151904582977, 0.461675941944122 0.461675941944122, , 2.28553605079651 2.28553605079651, 0.573766946792603 0.573766946792603, , 2.983478307724 2.983478307724, , 0.0, 0.0, 0.606190621852875 0.606190621852875, 0.0, 0.0, 18.0, 9.80311870574951, 0.0, , 0.11795587092638, 10.5155553817749, 6.87700986862183, 0.0, , -0.0253583323210478, , 1.0, 5.18559551239014, , 4.80735492706299, -0.0264648534357548, 0.52578341960907, 0.0, , 2.75, 5.65529680252075, , 0.0, 0.0, -0.00696021039038897, 0.0, , , 4.78679990768433, , 0.0, -0.00021113152615726, 0.19245009124279, 3.70480060577393, 0.0, 0.0, 0.0, 0.0, 2.8459792137146, 0.0, 0.0, 1.0, 1.33883595466614, , , 0.0, , 0.916116058826447, 10.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 443.010009765625, 0.0641500279307365, 0.0, 0.0320750139653683, 183.0, , 0.0, , , 17.0699996948242, 0.0, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 307.0, 0.0, 0.0, 0.20412415266037, 1.0, 0.117851130664349, , 0.0, 0.0, 13.9952611923218, 10.0, , , 11.7705345153809, , 0.0, , 0.0, , 0.0, , 14.7744693756104, , 15.3320922851562, 68.0, 802.380126953125, 0.0, 0.0, , 0.0, 7.68175077438354, , 19.6641845703125, 0.0, 900.847961425781, , 0.0, 4.52549123764038, 19.3283672332764, , 0.217697709798813, 0.0, 1142.41369628906, , 0.0, 3.06117486953735, , 15.3283681869507, 0.0, , 1041.45471191406, 2.07195544242859, , 0.0340206921100616, 766.976013183594, 1.34572184085846, , 0.0, , 0.0, 0.0, 0.863253831863403, , 0.0, , , 0.331733167171478, 0.0, , 0.186564221978188, 0.0, 0.0, 0.0, 
-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, 5.0, 0.0, , , , , 0.0, 1.0, 1.73858118057251 1.73858118057251, 0.62212473154068 0.62212473154068, , 3.12052822113037 3.12052822113037, 0.967409491539001 0.967409491539001, , 3.08974194526672 3.08974194526672, , 0.0, 0.0, 0.849719226360321 0.849719226360321, 0.0, 0.5, 18.0, 11.1484184265137, 0.0, , 0.403521358966827, 13.0666666030884, 7.19961881637573, 0.0, , -0.311561793088913, , 0.0, 6.55401659011841, , 4.90689039230347, 0.217725947499275, 1.13090085983276, , , 4.57142877578735, 6.01882028579712, , 0.0, 0.16666667163372, -0.116869740188122, 0.176776692271233, , , 4.21332597732544, , 3.33267259597778, -0.00474136089906096, 0.0, 3.62441825866699, 0.0, 0.400000005960464, 0.0, 3.0, 2.19643259048462, 0.0, 0.0, 1.0, 1.21266067028046, , , 0.0, , 0.667030155658722, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 814.039978027344, 0.0320750139653683, 0.0, 0.0226804614067078, 185.0, , 0.0, , , 45.3400001525879, 0.0, 1.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 384.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, , , , 9.24752616882324, 5.0, , , 4.14645862579346, , , , 0.0, , 0.0, , 22.9738216400146, , 24.5487785339355, 68.0, 601.544189453125, 0.0, 0.0, , 0.0, 9.40397262573242, , 27.720386505127, 0.0, 648.765014648438, , 0.0, 5.55237483978271, 26.6400032043457, , 0.400807023048401, 1.0, 797.454528808594, , 0.0, 3.60454678535461, , 24.4785995483398, 0.0322910100221634, , 741.289367675781, 2.38531851768494, , 0.0, 650.064086914062, 1.75509476661682, , 2.0, , 0.0, 0.0, 0.963147819042206, , 0.0, , , 0.515406727790833, 0.0, , 0.23909005522728, 0.0, , 0.0, 
-InChI%3D1S%2FC9H12O%2Fc1-2-3-8-4-6-9%2810%297-5-8%2Fh4-7%2C10H%2C2-3H2%2C1H3, 1.0, 0.333333343267441, , , , , 0.0, 2.0, 0.841260969638824 0.841260969638824, 0.305482387542725 0.305482387542725, , 0.997230291366577 0.997230291366577, 0.354761809110641 0.354761809110641, , 1.22434425354004 1.22434425354004, , 0.0, 0.0, 0.333453446626663 0.333453446626663, 0.0, 0.0, 10.0, 7.39734125137329, 0.0, , 0.0754449218511581, 8.10000038146973, 4.8256983757019, 0.0, , -0.0237379856407642, , 0.0, 4.0, , 4.32192802429199, -0.0129380654543638, 0.492799282073975, , , 2.65088748931885, 3.91457271575928, , 0.0, 0.0, -0.00100556772667915, 0.0, , , 2.83235192298889, , 1.96925938129425, -4.02387195208576e-05, 0.0, 2.026038646698, 0.0, 0.471404522657394, 0.0, 2.0, 1.59341299533844, 0.0, 0.0, 0.75, 0.735702276229858, , , 0.0, , 0.367851138114929, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 394.010009765625, 0.0277777779847383, 0.0, 0.0320644564926624, 102.0, , 0.0, , , 20.2299995422363, 0.0, 1.0, 0.428571432828903, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 127.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , , , 6.67872285842896, 7.0, , , 7.00378656387329, , , , 0.0, , 0.0, , 10.7744693756104, , 10.3320922851562, 44.0, 485.912841796875, 0.0, 0.0, , 0.0, 6.17082834243774, , 12.6641836166382, 0.0, 515.63671875, , 0.0, 3.6056342124939, 10.6641836166382, , 0.192386731505394, 0.0, 607.897399902344, , 0.0, 2.41644716262817, , 6.33209180831909, 0.0, , 488.235931396484, 1.47501540184021, , 0.0, 267.409027099609, 0.951289713382721, , 1.0, , 0.0, 0.0, 0.580445826053619, , 0.0, , , 0.232842564582825, 0.0, , 0.113158099353313, 0.0, , 0.0, 
-InChI%3D1S%2FC7H5ClO%2Fc8-7-3-1-6%285-9%292-4-7%2Fh1-5H, 0.0, 0.333333343267441, , , , , 0.0, 2.0, 0.901047587394714 0.901047587394714, 0.368612706661224 0.368612706661224, , 0.937443673610687 0.937443673610687, 0.305094510316849 0.305094510316849, , 1.06903564929962 1.06903564929962, , 0.0, 0.0, 0.338806807994843 0.338806807994843, 0.0, 0.0, 9.0, 6.69023466110229, 0.0, , 0.170918583869934, 7.11111116409302, 4.3256983757019, 0.0, , -0.0573137700557709, , 0.0, 3.23966932296753, , 4.16992521286011, -0.016632117331028, 0.492799282073975, 0.0, , 2.0, 3.53414583206177, , 0.0, 0.0, 0.00878390669822693, 0.0, , , 2.7127788066864, , 0.0, -0.00139407301321626, 0.0, 1.73736357688904, 0.0, 0.0, 0.0, 0.0, 1.37377345561981, 0.0, 0.0, 1.0, 0.686886727809906, , , 0.0, , 0.117851130664349, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 124.019996643066, 0.0277777779847383, 0.0, 0.0475345477461815, 77.0, , 0.0, , , 17.0699996948242, 1.0, 1.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 90.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , , , 4.88359355926514, 5.0, , , 6.59753942489624, , , , 0.0, , 0.0, , 17.4872226715088, , 11.2838296890259, 40.0, 442.905914306641, 0.0, 0.0, , 0.0, 5.42889308929443, , 15.2355670928955, 0.0, 476.026092529297, , 0.0, 2.91269135475159, 13.5676584243774, , 0.285207271575928, 0.0, 565.161804199219, , 0.0, 2.10583806037903, , 6.61592149734497, 0.0, , 414.021270751953, 1.25806415081024, , 0.0, 154.834548950195, 0.66733592748642, , 0.0, , 0.0, 0.0, 0.479723811149597, , 0.0, , , 0.162293091416359, 0.0, , 0.0130945695564151, 1.0, , 0.0, 
-InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.06066012382507 1.06066012382507, 0.61237245798111 0.61237245798111, 0.0, 0.353553384542465 0.353553384542465, 0.20412415266037 0.20412415266037, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 5.207106590271, 0.0, 0.0, 0.168171614408493, 6.0, 2.56066012382507, 0.0, 0.0, -0.0867317318916321, 0.0, 0.0, 1.63265311717987, 0.0, 3.58496260643005, -0.0128095149993896, 1.56066012382507, 0.0, 0.0, 5.33333349227905, 2.91421365737915, 0.0, 0.0, 2.44948983192444, 0.0154554387554526, 0.353553384542465, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.36358571052551, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 259.010009765625, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 9.22999954223633, 0.0, 1.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 28.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 6.77446889877319, 0.0, 5.66418409347534, 24.0, 208.438781738281, 0.0, 0.0, 0.0, 0.0, 4.90824842453003, 0.0, 7.99627590179443, 0.0, 198.32487487793, 0.0, 0.0, 2.11237239837646, 3.0, 0.0, 1.11237239837646, 0.0, 230.946090698242, 0.0, 0.0, 2.31649661064148, 0.0, 0.0, 0.20412415266037, , 79.263427734375, 0.61237245798111, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H7ClN.HI%2Fc1-8-5-3-2-4-6%288%297%3B%2Fh2-5H%2C1H3%3B1H%2Fq%2B1%3B%2Fp-1, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.13807117938995 1.13807117938995, 1.11529469490051 1.11529469490051, 0.0, 1.04044008255005 1.04044008255005, 0.811570227146149 0.811570227146149, 0.0, 1.13807117938995 1.13807117938995, 0.0, 0.0, 0.0, 0.743529796600342 0.743529796600342, 0.0, 0.0, 8.0, 5.98312759399414, 0.0, 0.0, 0.130238905549049, 9.0, 3.80453038215637, 0.0, 0.0, -0.101551689207554, 0.0, 0.0, 3.92000007629395, 0.0, 4.16992521286011, 0.0528423488140106, 0.471404522657394, 1.0, 0.0, 2.38016533851624, 3.23902487754822, 0.0, 0.0, 0.0, -0.0143275251612067, 0.0, 0.0, 0.0, 2.54033637046814, 0.0, 1.3731781244278, -0.0020825860556215, 0.16666667163372, 1.50166130065918, 0.0, 0.5, 0.0, 0.0, 1.02437734603882, 0.0, 0.0, 999.0009765625, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0833333358168602, 4.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 184.029998779297, 0.0453609228134155, 0.0, 0.0967953726649284, -1179869184.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8000000000.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, 0.0, 1.0, 0.0, 3.96540641784668, 3.0, 0.0, 0.0, 2.14913988113403, 1.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 127.711402893066, 0.0, 10.4502935409546, 36.0, 414.335418701172, 0.0, 0.0, 0.0, 0.0, 8.10499858856201, 0.0, 14.7263803482056, 0.0, 405.963470458984, 0.0, 0.0, 3.55177116394043, 14.0213975906372, 0.0, 0.502963483333588, 0.0, 484.187622070312, 0.0, 0.0, 2.96502661705017, 0.0, 3.95173740386963, 0.0, , 342.791625976562, 2.19974064826965, 0.0, 0.154303357005119, 74.2046737670898, 1.01717698574066, 0.0, 1.0, 0.0, 0.0, 0.0, 0.593535959720612, 0.0, 0.0, 0.0, 0.0, 0.193590745329857, 0.0, 0.0, 0.0514344498515129, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H5NO3%2Fc9-5-6-3-1-2-4-7%286%298%2810%2911%2Fh1-5H, 0.0, 1.0, , , , , 0.0, 2.0, 1.48758697509766 1.48758697509766, 0.372172027826309 0.372172027826309, , 2.22699189186096 2.22699189186096, 0.41628423333168 0.41628423333168, , 2.58764219284058 2.58764219284058, , 0.0, 0.0, 0.34151828289032 0.34151828289032, 0.0, 0.0, 14.0, 8.26758480072021, 0.0, , 0.203106626868248, 9.09090900421143, 5.25321865081787, 0.0, , -0.0213904473930597, , 0.0, 4.13265323638916, , 4.45943164825439, -0.00774418050423265, 0.636082768440247, , , 2.21453285217285, 4.36065673828125, , 0.0, 0.0, -0.071454718708992, 0.0, , , 3.34855341911316, , 0.0, -0.0762858986854553, 0.20412415266037, 2.62088251113892, 0.0, 0.0, 0.0, 0.0, 1.79927670955658, 0.0, 0.0, 0.666666686534882, 0.702221035957336, , , 0.0, , 0.34432190656662, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 146.039993286133, 0.0277777779847383, 0.0, 0.0284601077437401, 89.0, , 0.0, , , 62.8899993896484, 1.0, 1.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 150.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.107038088142872, , , , 5.08567523956299, 5.0, , , 5.67623996734619, , , , 0.0, , 0.0, , 13.6833953857422, , 12.6052093505859, 50.0, 438.410339355469, 0.0, 0.0, , 0.0, 5.55870962142944, , 16.1031150817871, 0.814325273036957, 487.488220214844, , 0.0, 2.94048285484314, 16.4911079406738, , 0.185150861740112, 0.0, 608.963317871094, , 0.0, 1.93377661705017, , 14.3763866424561, 0.0, , 533.755615234375, 1.26041793823242, , 0.0322748608887196, 303.690582275391, 0.753454267978668, , 0.0, , 0.0, 0.0, 0.402285575866699, , 0.0, , , 0.119209244847298, 0.0, , 0.0405527837574482, 1.0, , 0.0, 
-InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.5355339050293, 0.0, 0.0, 0.168022021651268, 3.20000004768372, 2.5, 0.0, 0.0, -0.0895852074027061, 0.0, 0.0, 1.44000005722046, 0.0, 3.32192802429199, 0.00557419145479798, 0.0, 0.0, 0.0, 0.639999985694885, 1.76776695251465, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.25, 0.0, 0.0, 0.0, 0.0, 0.883883476257324, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0, 149.009994506836, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 0.0, 9.22999954223633, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.24264049530029, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 5.77446889877319, 0.0, 5.66418409347534, 20.0, 150.798736572266, 0.0, 0.0, 0.0, 0.0, 3.23667550086975, 0.0, 5.66418409347534, 0.0, 150.494125366211, 0.0, 0.0, 2.0773503780365, 0.0, 0.0, 0.0, 0.0, 150.034713745117, 0.0, 0.0, 1.31947922706604, 0.0, 0.0, 0.0, , 0.0, 0.827350258827209, 0.0, 0.0, 0.0, 0.510310351848602, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H18O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-7%2C10H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 8.0, 8.3639612197876, 0.0, 0.0, 0.125168293714523, 11.0, 5.41421365737915, 0.0, 0.0, -0.0677591934800148, 0.0, 0.0, 10.0, 0.0, 4.45943164825439, -0.0168351531028748, 0.0, 0.0, 0.0, 10.0, 3.47487378120422, 0.0, 0.0, 0.0, 0.0368786603212357, 0.0, 0.0, 0.0, 2.20710682868958, 0.0, 2.17015647888184, -0.0120646534487605, 0.0, 1.38388347625732, 0.0, 0.0, 0.0, 7.0, 0.853553414344788, 0.0, 0.0, 1.0, 0.515165030956268, 0.0, 0.0, 0.0, 0.0, 0.301776707172394, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 674.010009765625, 0.0, 0.0, 0.0, 150.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 220.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.1851243972778, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 11.7744693756104, 0.0, 10.3320922851562, 38.0, 444.345703125, 0.0, 0.0, 0.0, 0.0, 7.3969612121582, 0.0, 9.33209228515625, 0.0, 421.234558105469, 0.0, 0.0, 4.48044109344482, 8.33209228515625, 0.0, 0.0, 0.0, 383.368225097656, 0.0, 0.0, 2.67588090896606, 0.0, 7.33209180831909, 0.0, , 338.621185302734, 1.60938704013824, 0.0, 0.0, 289.339080810547, 0.961231768131256, 0.0, 1.0, 0.0, 0.0, 0.0, 0.554693520069122, 1.0, 2.0, 0.0, 0.0, 0.303839206695557, 0.0, 0.0, 0.144764229655266, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H6O%2Fc1-3%282%294%2Fh1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.122224785387516, 4.0, 1.73205077648163, 0.0, 0.0, -0.0228747390210629, 0.0, 1.0, 1.33333337306976, 0.0, 3.0, -0.0382376536726952, 0.577350258827209, 0.0, 0.0, , 1.73205077648163, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 69.0100021362305, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 4.77446889877319, 0.0, 3.33209204673767, 12.0, 81.9000625610352, 0.0, 0.0, 0.0, 0.0, 2.90824818611145, 0.0, 3.66418385505676, 0.0, 65.7024536132812, 0.0, 0.0, 1.20412409305573, 0.0, 0.0, 0.20412415266037, 0.0, 54.1975593566895, 0.0, 0.0, 0.90824830532074, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H4ClNO3%2Fc8-7-2-1-6%289%2811%2912%293-5%287%294-10%2Fh1-4H, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 2.06622362136841 2.06622362136841, 0.685956537723541 0.685956537723541, , 2.33734011650085 2.33734011650085, 0.63110363483429 0.63110363483429, , 2.81630682945251 2.81630682945251, , 0.0, 0.0, 0.642725229263306 0.642725229263306, 0.0, 0.0, 16.0, 9.13782787322998, 0.0, , 0.2425357401371, 10.0833330154419, 5.64706563949585, 0.0, , -0.03404526039958, , 0.0, 4.296875, , 4.58496236801147, -0.00421808147802949, 0.902368903160095, 0.0, , 2.49307489395142, 4.96276092529297, , 0.0, 0.0, -0.042327705770731, 0.0, , , 3.87022233009338, , 0.0, -0.0493556745350361, 0.284517794847488, 2.6262321472168, 0.0, 0.0, 0.0, 0.0, 1.93356513977051, 0.0, 0.0, 1.0, 1.26579093933105, , , 0.0, , 0.419323533773422, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 124.050003051758, 0.0240562614053488, 0.0, 0.0519244112074375, 112.0, , 0.0, , , 62.8899993896484, 1.0, 1.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 195.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.155437618494034, , , , 2.62074136734009, 5.0, , , 7.48569059371948, , , , 0.0, , 0.0, , 22.3961486816406, , 15.5569467544556, 56.0, 562.629028320312, 0.0, 0.0, , 0.0, 6.61525297164917, , 22.0065898895264, 0.721124768257141, 632.089904785156, , 0.0, 3.41811323165894, 24.1801338195801, , 0.358800143003464, 0.0, 813.698608398438, , 0.0, 2.48797702789307, , 18.2086448669434, 0.0, , 718.919677734375, 1.66157364845276, , 0.0669770687818527, 399.850280761719, 0.897115290164948, , 0.0, , 0.0, 0.0, 0.55580198764801, , 0.0, , , 0.243003889918327, 0.0, , 0.0578331165015697, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC10H17N%2Fc11-10-4-7-1-8%285-10%293-9%282-7%296-10%2Fh7-9H%2C1-6%2C11H2, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 1.5, 0.0, 2.1855046749115 2.1855046749115, 1.81947922706604 1.81947922706604, 0.0, 4.68759679794312 4.68759679794312, 3.80547738075256 3.80547738075256, 0.0, 6.07968759536743 6.07968759536743, 0.0, 0.0, 0.0, 4.96651601791382 4.96651601791382, 0.0, 0.0, 15.0, 7.47469139099121, 0.0, 0.0, 0.0250725504010916, 6.50887584686279, 5.23489475250244, 0.0, 0.0, -0.00619121035560966, 0.0, 0.0, 1.83673465251923, 0.0, 4.45943164825439, -0.00590305589139462, 1.5391491651535, 0.0, 0.0, 0.87791496515274, 5.72821569442749, 0.0, 0.0, 0.0, -0.000406366802053526, 0.176776692271233, 0.0, 0.0, 4.34442329406738, 0.0, 0.0, -3.56415366695728e-05, 0.0, 4.54365921020508, 0.0, 0.0, 0.0, 6.0, 3.43781685829163, 0.0, 0.0, 0.333333343267441, 2.67336773872375, 0.0, 0.0, 0.0, 0.0, 1.35882472991943, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 790.010009765625, 0.244818076491356, 0.0, 0.621399641036987, 91.0, 0.0, 0.0, 0.0, 0.0, 26.0200004577637, 0.0, 4.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 124.0, 0.0, 0.0, 0.244818076491356, 0.0, 0.696114242076874, 0.0, 0.0, 0.0, 6.52912902832031, 6.0, 0.0, 0.0, 10.3923044204712, 0.0, 0.0, 0.0, 0.0, , 3.46410155296326, 0.0, 11.3599882125854, 0.0, 13.1661853790283, 68.0, 811.104614257812, 0.0, 3.0, 0.0, 0.0, 7.05204153060913, 0.0, 21.498556137085, 0.0, 999.517272949219, 0.0, 1.0, 5.02357006072998, 15.498556137085, 0.0, 1.22216188907623, 0.0, 1532.45581054688, 0.0, 0.0, 5.2799277305603, 0.0, 6.4985556602478, 0.102062076330185, , 1112.50512695312, 4.08560419082642, 0.0, 0.0, 374.199279785156, 4.17763376235962, 0.0, 0.0, 0.0, 0.0, 0.0, 3.22649216651917, 0.0, 0.0, 0.0, 0.0, 2.37450933456421, 0.0, 0.0, 1.27255165576935, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H11N%2Fc1-2-3-4-5%2Fh2-5H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.12132024765015, 0.0, 0.0, 0.0296331718564034, 5.0, 2.41421365737915, 0.0, 0.0, -0.0120891099795699, 0.0, 0.0, 4.0, 0.0, 3.32192802429199, -0.0025251773186028, 0.0, 0.0, 0.0, 4.0, 1.35355341434479, 0.0, 0.0, 0.0, -0.000195963642909192, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 1.65096366405487, -6.33497484159307e-06, 0.0, 0.353553384542465, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 205.009994506836, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 26.0200004577637, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.35998821258545, 0.0, 4.16618537902832, 14.0, 156.73908996582, 0.0, 0.0, 0.0, 0.0, 3.69867062568665, 0.0, 3.16618514060974, 0.0, 132.316009521484, 0.0, 1.0, 2.11535501480103, 2.16618514060974, 0.0, 0.0, 0.0, 95.8805923461914, 0.0, 0.0, 1.14222848415375, 0.0, 1.16618525981903, 0.0, , 57.0459022521973, 0.557677507400513, 0.0, 0.0, 22.8305397033691, 0.20412415266037, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2, 0.0, 0.333333343267441, , , , , 0.0, 2.0, 0.816496610641479 0.816496610641479, 0.329329013824463 0.329329013824463, , 0.760079681873322 0.760079681873322, 0.259733587503433 0.259733587503433, , 1.13807117938995 1.13807117938995, , 0.0, 0.0, 0.316126346588135 0.316126346588135, 0.0, 0.0, 7.0, 5.98312759399414, 0.0, , 0.0672009140253067, 6.125, 3.78769373893738, 0.0, , -0.0198609493672848, , 0.0, 2.51999998092651, , 4.0, -0.00337254512123764, 0.577350258827209, 0.0, , 1.79999995231628, 3.3650438785553, , 0.0, 0.0, -0.00221526832319796, 0.0, , , 2.30453038215637, , 0.0, -0.0298122633248568, 0.0, 1.4267463684082, 0.0, 0.0, 0.0, 0.0, 1.30473780632019, 0.0, 0.0, 0.666666686534882, 0.333333343267441, , , 0.0, , 0.0, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 140.020004272461, 0.0277777779847383, 0.0, 0.0475345477461815, 58.0, , 0.0, , , 26.0200004577637, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 62.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, , , 0.0, 3.30192732810974, 6.0, , , 5.65685415267944, , , , 0.0, , 0.0, , 16.0727424621582, , 10.1179227828979, 36.0, 411.37646484375, 0.0, 0.0, , 0.0, 5.0206446647644, , 14.2358455657959, 0.0, 436.046875, , 1.0, 2.67698907852173, 11.2358455657959, , 0.285207271575928, 0.0, 513.993774414062, , 0.0, 1.98798704147339, , 4.11792278289795, 0.0, , 341.955291748047, 1.12198138237, , 0.0, 91.2741775512695, 0.588768482208252, , 0.0, , 0.0, 0.0, 0.440440118312836, , 0.0, , , 0.095069095492363, 0.0, , 0.0, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC8H18S2%2Fc1-3-5-9-7-8-10-6-4-2%2Fh3-8H2%2C1-2H3, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 7.0, 7.65685415267944, 0.0, 0.0, 0.0553007423877716, 10.0, 4.91421365737915, 0.0, 0.0, -0.0291747413575649, 0.0, 0.0, 9.0, 0.0, 4.32192802429199, -0.0144477123394608, 0.0, 0.0, 0.0, 9.14285755157471, 3.12132024765015, 0.0, 0.0, 0.111111111938953, 0.0287320986390114, 0.0, 0.0, 0.0, 1.95710682868958, 0.0, 3.31746673583984, -0.0143068432807922, 0.0, 1.20710682868958, 0.0, 0.0, 0.0, 6.0, 0.728553414344788, 0.0, 0.0, 0.800000011920929, 0.426776707172394, 0.0, 0.0, 0.0, 0.0, 0.239276692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 639.02001953125, 0.0, 0.0, 0.0, 122.0, 0.0, 0.0, 0.0, 0.0, 50.5999984741211, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 165.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.26933193206787, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 22.2555065155029, 0.0, 15.6791410446167, 34.0, 698.294372558594, 0.0, 0.0, 0.0, 0.0, 8.69213008880615, 0.0, 14.6791410446167, 0.0, 660.261840820312, 0.0, 0.0, 6.37831497192383, 16.4673233032227, 0.0, 0.0, 0.0, 596.407104492188, 2.0, 0.0, 4.67423439025879, 0.0, 9.33957004547119, 0.0, , 511.983581542969, 3.70679569244385, 0.0, 0.0, 423.092407226562, 2.539057970047, 0.0, 2.0, 0.0, 0.0, 0.0, 1.73737239837646, 0.0, 0.0, 0.0, 0.0, 1.28033006191254, 0.0, 0.0, 0.717830061912537, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H9N%2Fc1-2-7-5-3-4-6-8-7%2Fh3-6H%2C2H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.492799282073975 0.492799282073975, 0.19669634103775 0.19669634103775, 0.0, 0.594861328601837 0.594861328601837, 0.19669634103775 0.19669634103775, 0.0, 0.492799282073975 0.492799282073975, 0.0, 0.0, 0.0, 0.131130903959274 0.131130903959274, 0.0, 0.0, 7.0, 5.81999111175537, 0.0, 0.0, 0.0622906982898712, 6.125, 3.9318516254425, 0.0, 0.0, -0.0310906525701284, 0.0, 0.0, 3.11111116409302, 0.0, 4.0, -0.00411734310910106, 0.20412415266037, 0.0, 0.0, 1.79999995231628, 2.91228413581848, 0.0, 0.0, 0.0, 0.00357204163447022, 0.0, 0.0, 0.0, 2.30209517478943, 0.0, 1.67081260681152, 0.00046278300578706, 0.0, 1.59538793563843, 0.0, 0.5, 0.0, 1.0, 1.10517168045044, 0.0, 0.0, 0.666666686534882, 0.348461717367172, 0.0, 0.0, 0.0, 0.0, 0.144337564706802, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 233.009994506836, 0.0248451996594667, 0.0, 0.0175682101398706, 60.0, 0.0, 0.0, 0.0, 0.0, 12.8900003433228, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 64.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, 0.0, 1.0, 0.0, 5.08567523956299, 5.0, 0.0, 0.0, 3.04182171821594, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 8.35998821258545, 0.0, 8.33237075805664, 34.0, 355.043609619141, 0.0, 0.0, 0.0, 0.0, 4.96372127532959, 0.0, 9.49855613708496, 0.0, 368.395751953125, 0.0, 0.0, 2.83114099502563, 7.33237028121948, 0.0, 0.0912870913743973, 0.0, 412.840515136719, 0.0, 0.0, 1.67462837696075, 0.0, 3.0, 0.0, , 301.026214599609, 1.08838546276093, 0.0, 0.0, 113.167167663574, 0.607262790203094, 0.0, 1.0, 0.0, 0.0, 0.0, 0.33952996134758, 0.0, 0.0, 0.0, 0.0, 0.10484915971756, 0.0, 0.0, 0.0351364202797413, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H6N2O3%2Fc8-7%2810%295-1-3-6%284-2-5%299%2811%2912%2Fh1-4H%2C%28H2%2C8%2C10%29, 0.0, 1.31037068367004, , , , , 0.0, 2.0, 2.0808801651001 2.0808801651001, 0.436357140541077 0.436357140541077, , 2.0483078956604 2.0483078956604, 0.373009651899338 0.373009651899338, , 1.94267082214355 1.94267082214355, , 0.0, 0.0, 0.299924463033676 0.299924463033676, 0.0, 0.0, 15.0, 9.13782787322998, 0.16666667163372, , 0.210523203015327, 10.0833330154419, 5.60906076431274, 0.0, , -0.0538405850529671, , 1.0, 4.296875, , 4.58496236801147, -0.0185545794665813, 1.0, , , 2.77777767181396, 5.16289377212524, , 0.0, 0.0, 0.00524863880127668, 0.0, , , 3.70211458206177, , 0.0, 0.0162649117410183, 0.333333343267441, 2.47831320762634, 0.0, 0.0, 0.0, 0.0, 1.65307700634003, 0.0, 0.0, 0.75, 1.18122553825378, , , 0.0, , 0.829344630241394, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 192.050003051758, 0.0277777779847383, 0.0, 0.0263114888221025, 126.0, , 0.0, , , 88.9100036621094, 0.0, 1.0, 0.428571432828903, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 206.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.0962250456213951, , , , 3.30192732810974, 5.0, , , 7.06555128097534, , , , 0.0, , 0.0, , 15.0433835983276, , 13.7713947296143, 56.0, 498.128326416016, 0.0, 0.0, , 0.0, 6.05870962142944, , 18.8227672576904, 0.650697648525238, 552.714416503906, , 1.0, 3.15292167663574, 17.6572933197021, , 0.254062294960022, 0.0, 701.325744628906, , 0.0, 2.1682345867157, , 12.4911079406738, 0.0, , 606.722045898438, 1.36264097690582, , 0.0320644564926624, 347.128112792969, 0.74741268157959, , 0.0, , 0.0, 0.0, 0.438071399927139, , 0.0, , , 0.202339142560959, 0.0, , 0.0776545703411102, 1.0, , 0.0, 
-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, 0.0, 2.38110160827637, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.44017744064331 1.44017744064331, 0.791937947273254 0.791937947273254, 0.0, 2.34362530708313 2.34362530708313, 1.15334379673004 1.15334379673004, 0.0, 3.05891346931458 3.05891346931458, 0.0, 0.0, 0.0, 1.3539696931839 1.3539696931839, 0.0, 0.0, 17.0, 9.09601211547852, 0.0, 0.0, 0.0752628296613693, 9.55102062225342, 6.37700986862183, 0.0, 0.0, -0.0240395702421665, 0.0, 0.0, 4.48148155212402, 0.0, 4.70043992996216, -0.0120746847242117, 0.538451671600342, 0.0, 0.0, 2.26843094825745, 5.32368564605713, 0.0, 0.0, 0.0, -0.00144939380697906, 0.0, 0.0, 0.0, 4.43315410614014, 0.0, 0.0, -6.77500938763842e-05, 0.164266422390938, 3.60758376121521, 0.0, 0.0, 0.0, 4.0, 2.79330086708069, 0.0, 0.0, 0.75, 1.37313032150269, 0.0, 0.0, 0.0, 0.0, 0.885919213294983, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 744.010009765625, 0.115408346056938, 0.0, 0.0974529832601547, 151.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 2.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 240.0, 0.0, 0.0, 0.185395404696465, 0.0, 0.190371423959732, 0.0, 0.0, 0.0, 12.4071960449219, 10.0, 0.0, 0.0, 11.3998241424561, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 13.7744693756104, 0.0, 14.3320922851562, 64.0, 794.780578613281, 0.0, 2.0, 0.0, 0.0, 7.81709241867065, 0.0, 18.6641845703125, 0.0, 900.232055664062, 0.0, 0.0, 5.10738754272461, 17.9962768554688, 0.0, 0.319485425949097, 0.0, 1163.80651855469, 0.0, 0.0, 3.86898136138916, 0.0, 13.9962759017944, 0.0, , 1059.57580566406, 2.95720601081848, 0.0, 0.0765515118837357, 736.548522949219, 2.20034623146057, 0.0, 0.0, 0.0, 0.0, 0.0, 1.58622527122498, 1.0, 0.0, 0.0, 0.0, 0.681880831718445, 0.0, 0.0, 0.396014004945755, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H3BrS%2Fc5-4-1-2-6-3-4%2Fh1-3H, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.40824830532074 0.40824830532074, 0.589874088764191 0.589874088764191, 0.0, 0.433012694120407 0.433012694120407, 0.694365084171295 0.694365084171295, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.40577745437622, 0.0, 0.0, 0.0575945116579533, 4.16666650772095, 2.8938467502594, 0.0, 0.0, -0.0193895921111107, 0.0, 0.0, 1.63265311717987, 0.0, 3.58496260643005, -0.0199024472385645, 0.288675129413605, 0.0, 0.0, 0.979591846466064, 2.38962864875793, 0.0, 0.0, 0.0, 0.0104947844520211, 0.0, 0.0, 0.0, 1.64384686946869, 0.0, 0.0, 0.0, 0.0, 1.12993609905243, 0.0, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.117851130664349, 0.0, 0.0, 51.0200004577637, 0.231455028057098, 0.0, 0.0, 29.0, 0.0, 0.0, 1.0, 0.0, 28.2399997711182, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.0, 0.144337564706802, 0.0, 0.144337564706802, 0.0, 0.0, 0.0, 0.0, 0.0, 1.88988161087036, 2.0, 0.0, 0.0, 2.38110160827637, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 55.3858451843262, 0.0, 14.9922456741333, 26.0, 458.352996826172, 0.0, 0.0, 0.0, 0.0, 5.42075681686401, 1.0, 21.6449222564697, 0.0, 475.764221191406, 0.0, 0.0, 3.30687761306763, 24.413890838623, 0.0, 0.327326834201813, 0.0, 532.438720703125, 0.0, 0.0, 2.6372766494751, 0.0, 0.0, 0.0, , 125.399444580078, 1.96599161624908, 0.0, 0.0, 0.0, 1.39103937149048, 0.0, 0.0, 0.0, 0.0, 0.0, 0.462910056114197, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-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, 0.0, 2.94168281555176, , , , , 0.0, 4.0, 1.84236586093903 1.84236586093903, 0.651367247104645 0.651367247104645, , 2.95819163322449 2.95819163322449, 0.853179216384888 0.853179216384888, , 4.02241134643555 4.02241134643555, 0.0, 0.0, 0.0, 0.941291570663452 0.941291570663452, 0.0, 0.0, 25.0, 12.2088956832886, 0.0, , 0.0604903548955917, 13.0050001144409, 8.93265342712402, 0.0, , -0.0270533934235573, , 0.0, 6.43787002563477, , 5.16992521286011, -0.00781500805169344, 0.666666686534882, 0.0, , 3.32179927825928, 7.48294544219971, , 0.0, 0.0, 0.00321235531009734, 0.0, , , 6.38832187652588, , 0.0, 0.00119765533600003, 0.16666667163372, 5.33424663543701, 0.0, 0.0, 0.0, 0.0, 4.43013048171997, 0.0, 0.0, 1.0, 2.4943151473999, 0.0, , 0.0, 0.0, 1.92760765552521, 13.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 783.010009765625, 0.0856666043400764, 0.0, 0.0535915903747082, 304.0, , 0.0, , , 12.8900003433228, 0.0, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 621.0, 0.0, 0.0, 0.287457466125488, 0.0, 0.214076176285744, , 1.0, 0.0, 19.704891204834, 15.0, 0.0, , 17.0738658905029, , 0.0, , 0.0, , 0.0, 0.0, 18.3599872589111, , 20.3323707580566, 92.0, 1190.07958984375, 0.0, 0.0, 0.0, 0.0, 9.95276737213135, , 26.6647415161133, 0.0, 1368.09802246094, , 0.0, 6.01259756088257, 25.8309268951416, , 0.295766115188599, 0.0, 1807.77026367188, , 0.0, 4.14011859893799, , 21.6647415161133, 0.0, , 1736.81103515625, 2.88820123672485, , 0.0430331490933895, 1417.9599609375, 1.97408437728882, , 0.0, , 0.0, 0.0, 1.3435115814209, 0.0, 0.0, , 0.0, 0.620542407035828, 0.0, , 0.388428390026093, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC10H20O%2Fc1-3-4-5-6-7-8-9-10%282%2911%2Fh3-9H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.102062076330185 0.102062076330185, 0.0, 0.20412415266037 0.20412415266037, 0.0721687823534012 0.0721687823534012, 0.0, 0.144337564706802 0.144337564706802, 0.0, 0.0, 0.0, 0.0510310381650925 0.0510310381650925, 0.0, 0.0, 8.0, 8.52709770202637, 0.0, 0.0, 0.121041655540466, 11.0, 5.27005577087402, 0.0, 0.0, -0.0234891343861818, 0.0, 1.0, 8.10000038146973, 0.0, 4.45943164825439, -0.0351925380527973, 0.40824830532074, 0.0, 0.0, 10.0, 3.95028901100159, 0.0, 0.0, 0.111111111938953, -0.00172985868994147, 0.0, 0.0, 0.0, 2.13502788543701, 0.0, 3.57028555870056, -0.000106062878330704, 0.0, 1.33291590213776, 0.0, 0.70710676908493, 0.0, 7.0, 0.817513883113861, 0.0, 0.0, 0.800000011920929, 0.489681273698807, 0.0, 0.0, 0.0, 1.0, 0.283756941556931, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 790.010009765625, 0.0, 0.0, 0.0, 139.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 212.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 9.33325862884521, 7.0, 0.0, 0.0, 2.07099652290344, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 11.7744693756104, 0.0, 10.3320922851562, 40.0, 470.746429443359, 0.0, 0.0, 0.0, 0.0, 7.85799598693848, 0.0, 10.6641836166382, 0.0, 451.030609130859, 0.0, 0.0, 4.76478433609009, 8.33209228515625, 0.0, 0.144337564706802, 0.0, 432.645965576172, 0.0, 0.0, 3.21978211402893, 0.0, 7.33209180831909, 0.0, , 360.496765136719, 1.88239216804504, 0.0, 0.0, 306.642181396484, 1.15427553653717, 0.0, 2.0, 0.0, 0.0, 0.0, 0.691196084022522, 0.0, 0.0, 0.0, 0.0, 0.400361090898514, 0.0, 0.0, 0.220598042011261, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.133489936590195, 3.0, 1.41421353816986, 0.0, 0.0, -0.0432371459901333, 0.0, 0.0, 2.0, 0.0, 2.58496260643005, -0.0235078223049641, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 30.0100002288818, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 3.77446913719177, 0.0, 2.33209204673767, 6.0, 39.1578178405762, 0.0, 0.0, 0.0, 0.0, 1.98559856414795, 0.0, 1.33209192752838, 0.0, 26.5063018798828, 0.0, 0.0, 0.813052535057068, 0.0, 0.0, 0.0, 0.0, 11.4356460571289, 0.0, 0.0, 0.235702261328697, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%288%296%2811%295%2810%294%282%299%2Fh1%2C11H, 0.0, 6.08364343643188, , , , , 0.0, 5.0, 2.88704609870911 2.88704609870911, 1.61306118965149 1.61306118965149, , 3.69016051292419 3.69016051292419, 1.93038213253021 1.93038213253021, , 5.03910875320435 5.03910875320435, , 0.0, 0.0, 2.25873851776123 2.25873851776123, 0.0, 0.0, 17.0, 8.59385776519775, 0.0, , 0.283213078975677, 9.09090900421143, 5.03658103942871, 0.0, , -0.0156864617019892, , 0.0, 3.1640625, , 4.45943164825439, -0.129288241267204, 1.04875481128693, 0.0, , 1.60000002384186, 4.76762008666992, , 0.0, 0.0, -0.0498832538723946, 0.0, , , 4.19739627838135, , 0.0, -0.00721338065341115, 0.494387745857239, 2.53098058700562, 0.0, 0.0, 0.0, 0.0, 1.52339267730713, 0.0, 0.0, 0.666666686534882, 0.753461480140686, , , 0.0, 0.0, 0.181443691253662, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 59.0499992370605, 0.0180421955883503, 0.0, 0.0899004265666008, 89.0, , 0.0, , , 20.2299995422363, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 140.0, 0.0, 0.0, 0.0453609228134155, 0.0, 0.226804599165916, , 0.0, 0.0, 0.0, 6.0, 0.0, , 3.04182171821594, , 0.0, , 0.0, , 0.0, 0.0, 42.6254844665527, , 19.1390419006348, 54.0, 811.440490722656, 0.0, 0.0, 0.0, 0.0, 8.06013774871826, , 32.2780838012695, 0.0, 921.857727050781, , 0.0, 4.06874370574951, 54.5675621032715, , 0.666701912879944, 0.0, 1244.58850097656, , 0.0, 3.38711333274841, , 43.2092895507812, 0.0, , 1129.6298828125, 2.63020372390747, , 0.241435110569, 508.041900634766, 1.46405327320099, , 0.0, , 0.0, 0.0, 0.698326647281647, 1.0, 0.0, , , 0.331065982580185, 0.0, , 0.0646923407912254, 0.0, 0.0, 0.0, 
-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, 1.0, 2.40685200691223, , , , , 0.0, 3.0, 2.30306458473206 2.30306458473206, 0.897701799869537 0.897701799869537, , 3.2923891544342 3.2923891544342, 1.14877307415009 1.14877307415009, , 3.53175854682922 3.53175854682922, , 0.0, 0.0, 0.98233950138092 0.98233950138092, 0.0, 0.0, 20.0, 11.4222850799561, 0.0, , 0.391830176115036, 13.0666666030884, 7.04091262817383, 0.0, , -0.332147359848022, , 1.0, 5.91499996185303, , 4.90689039230347, 0.22700223326683, 1.19791758060455, 0.0, , 3.81096410751343, 6.31335544586182, , 0.0, 1.17047572135925, -0.10746918618679, 0.0, , , 4.63319873809814, , 3.18138217926025, -0.0320815518498421, 0.232307806611061, 3.47127461433411, 0.0, 4.60920763015747, 0.0, 0.0, 2.17616105079651, 0.0, 0.0, 0.800000011920929, 1.54986476898193, , , 0.0, , 0.845352828502655, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 751.039978027344, 0.0240562614053488, 0.0, 0.0446354746818542, 201.0, , 0.0, , , 45.060001373291, 0.0, 1.0, 0.444444447755814, 0.0, 0.0, , 0.0, , 0.0, 0.142857149243355, 0.0, , , 392.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.155437618494034, , , , 1.65096366405487, 5.0, , , 6.4474196434021, , , , 0.0, , 0.0, , 17.268913269043, , 16.8272018432617, 70.0, 802.583129882812, 0.0, 0.0, , 0.0, 9.48194026947021, , 22.8779563903809, 0.0, 886.057067871094, , 0.0, 4.65874338150024, 22.3252010345459, , 0.541360318660736, 0.5, 1157.83947753906, , 0.0, 3.45096325874329, , 18.8269233703613, 0.0, , 1106.03662109375, 2.05048894882202, , 0.101817518472672, 839.272521972656, 1.34426963329315, , 4.0, , 0.0, 0.0, 0.646454393863678, , 0.0, , , 0.357702940702438, 0.0, , 0.155790910124779, 0.0, , 0.0, 
-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, 0.0, 2.94168281555176, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 2.03762817382812 2.03762817382812, 0.343054443597794 0.343054443597794, 0.0, 2.01174688339233 2.01174688339233, 0.319667249917984 0.319667249917984, 0.0, 2.56613421440125 2.56613421440125, 0.0, 0.0, 0.0, 0.30288428068161 0.30288428068161, 0.0, 0.0, 15.0, 9.13782787322998, 0.0, 0.0, 0.474816203117371, 10.0833330154419, 5.60906076431274, 0.0, 0.0, -0.211943745613098, 0.0, 2.0, 4.296875, 0.0, 4.58496236801147, -0.147509694099426, 1.0, 0.0, 0.0, 2.77777767181396, 5.1747989654541, 0.0, 0.0, 0.0, 0.25457775592804, 0.0, 0.0, 0.0, 3.64094686508179, 0.0, 0.0, -0.0176308285444975, 0.333333343267441, 2.47779703140259, 0.0, 0.0, 0.0, 0.0, 1.94273996353149, 0.0, 0.0, 1.0, 1.09033453464508, 0.0, 0.0, 0.0, 2.0, 0.542035043239594, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 157.050003051758, 0.0215165745466948, 0.0, 0.0215165745466948, 112.0, 0.0, 0.0, 0.0, 0.0, 87.4899978637695, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 197.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.0962250456213951, 0.0, 1.0, 0.0, 2.38110160827637, 5.0, 0.0, 0.0, 5.24148273468018, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 15.4578638076782, 0.0, 13.660737991333, 56.0, 483.489562988281, 0.0, 0.0, 0.0, 0.0, 5.89018821716309, 0.0, 19.5420475006104, 1.44224953651428, 538.024658203125, 0.0, 0.0, 3.04669237136841, 18.7084178924561, 0.0, 0.220386534929276, 0.0, 684.9873046875, 0.0, 0.0, 2.01837277412415, 0.0, 13.6567354202271, 0.0, , 600.020446777344, 1.18732845783234, 0.0, 0.0235702265053988, 383.930541992188, 0.672928333282471, 0.0, 0.0, 0.0, 0.0, 0.0, 0.399838238954544, 2.0, 0.0, 0.0, 0.0, 0.148555740714073, 0.0, 0.0, 0.0573924332857132, 2.0, 0.0, 0.0, 0.0
-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, 12.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.14638590812683 1.14638590812683, 0.511507034301758 0.511507034301758, 0.0, 2.08480620384216 2.08480620384216, 0.735803067684174 0.735803067684174, 0.0, 2.17900776863098 2.17900776863098, 0.0, 0.0, 0.0, 0.707739114761353 0.707739114761353, 0.0, 1.44224953651428, 20.0, 13.8031187057495, 0.0, 0.0, 0.763079643249512, 18.0, 8.67176342010498, 0.0, 0.0, -0.528468549251556, 0.0, 0.0, 12.055401802063, 0.0, 5.16992521286011, 0.049226138740778, 0.696923434734344, 0.0, 0.0, 9.60000038146973, 6.46332740783691, 0.0, 0.0, 1.35865521430969, 0.381618171930313, 0.0, 0.0, 0.0, 4.25909805297852, 0.0, 6.7946605682373, -0.370739459991455, 0.0, 3.62736916542053, 0.0, 2.3751335144043, 0.0, 6.0, 2.1256582736969, 0.0, 0.0, 1.0, 1.47831320762634, 0.0, 0.0, 0.0, 0.0, 0.464615613222122, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1810.05004882812, 0.0, 0.0, 0.0, 263.0, 0.0, 0.0, 0.0, 0.0, 40.1599998474121, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 707.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.32123494148254, 0.0, 0.0, 0.0, 4.36449432373047, 0.0, 1.0, 0.0, 0.0, , 0.0, 4.0, 21.4578647613525, 0.0, 20.1552925109863, 72.0, 808.315673828125, 0.0, 2.0, 0.0, 0.0, 12.4775476455688, 0.0, 23.5380439758301, 0.0, 833.894470214844, 0.0, 0.0, 6.82210254669189, 23.5422325134277, 0.0, 0.359689563512802, 0.0, 956.205322265625, 0.0, 0.0, 3.90169477462769, 0.0, 27.649845123291, 0.0, , 994.242980957031, 2.33172631263733, 0.0, 0.0, 1034.62365722656, 1.63411009311676, 0.0, 5.0, 0.0, 0.0, 0.0, 0.88487446308136, 0.0, 0.0, 0.0, 0.0, 0.591871440410614, 0.0, 0.0, 0.156339138746262, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H6BrNO5%2Fc1-15-8-6%2810%2813%2914%294%283-11%292-5%289%297%288%2912%2Fh2-3%2C12H%2C1H3, 0.0, 6.08364343643188, , , , , 0.0, 5.0, 2.9537787437439 2.9537787437439, 1.10364389419556 1.10364389419556, , 4.84337615966797 4.84337615966797, 1.3950297832489 1.3950297832489, , 7.23388910293579 7.23388910293579, , 0.0, 0.0, 1.71381533145905 1.71381533145905, 0.0, 0.0, 25.0, 11.5854215621948, 0.0, , 0.518034517765045, 13.0666666030884, 7.02327442169189, 0.0, , -0.101764857769012, , 0.0, 5.36507940292358, , 4.90689039230347, -0.106670774519444, 1.17534625530243, 0.0, , 2.57142853736877, 6.13390111923218, , 0.0, 0.0, -0.0129044903442264, 0.0, , , 5.05175018310547, , 0.400000005960464, -0.189882174134254, 0.426677763462067, 4.09292221069336, 0.0, 1.61098504066467, 0.0, 0.0, 3.10670733451843, 0.0, 0.0, 0.5, 1.49760687351227, , , 0.0, , 0.617735326290131, 1.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 231.070007324219, 0.0180421955883503, 0.0, 0.069353960454464, 147.0, , 0.0, , , 92.3499984741211, 1.0, 1.0, 0.333333343267441, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 332.0, 0.0, 0.0, 0.0453609228134155, 0.0, 0.181061014533043, , , , 0.5, 5.0, , , 5.08567523956299, , , , 0.0, , 0.0, , 62.4904251098633, , 23.2541599273682, 72.0, 827.103698730469, 0.0, 0.0, , 0.0, 9.14608192443848, , 35.7368354797363, 1.35614991188049, 956.59130859375, , 0.0, 4.50844240188599, 49.3147354125977, , 0.566908895969391, 1.01626551151276, 1319.25024414062, , 0.0, 3.40737676620483, , 50.1406707763672, 0.0, , 1377.41674804688, 2.33019018173218, , 0.114159189164639, 1018.21472167969, 1.52313899993896, , 1.0, , 0.0, 0.0, 0.954002976417542, , 0.0, , , 0.413281440734863, 0.0, , 0.124773688614368, 1.0, , 0.0, 
-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, 9.0, 2.94168281555176, 0.0, 0.0, 1.0, 0.0, 0.0, 3.0, 3.01612949371338 3.01612949371338, 1.90711963176727 1.90711963176727, 0.0, 4.7674298286438 4.7674298286438, 2.66581845283508 2.66581845283508, 0.0, 5.52602338790894 5.52602338790894, 0.0, 0.0, 0.0, 2.37209272384644 2.37209272384644, 0.0, 1.5, 26.0, 14.4662551879883, 0.0, 0.0, 0.535009741783142, 17.0526313781738, 8.8979959487915, 0.0, 0.0, -0.466580539941788, 0.0, 0.0, 7.69526624679565, 0.0, 5.24792766571045, 0.441913247108459, 1.91957592964172, 0.0, 0.0, 5.47919130325317, 8.19718456268311, 0.0, 0.0, 1.54871988296509, -0.385480850934982, 0.176776692271233, 0.0, 0.0, 5.50829362869263, 0.0, 3.25366878509521, 0.216204479336739, 0.16666667163372, 4.7468409538269, 0.0, 5.53954696655273, 0.0, 2.0, 3.09187316894531, 0.0, 0.0, 0.800000011920929, 2.04244256019592, 0.0, 0.0, 0.0, 0.0, 1.26112627983093, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1258.06994628906, 0.0144337564706802, 0.0, 0.0286596473306417, 266.0, 1.0, 0.0, 0.0, 0.0, 95.370002746582, 0.0, 1.0, 0.444444447755814, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 720.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.155437618494034, 0.0, 2.0, 0.0, 0.646330416202545, 2.0, 0.0, 0.0, 3.08086538314819, 0.0, 0.0, 0.0, 0.0, , 0.0, 3.0, 33.8215484619141, 0.0, 33.8517189025879, 90.0, 1014.22424316406, 0.0, 1.0, 0.0, 0.0, 13.7544717788696, 0.0, 43.4697799682617, 0.0, 1126.97888183594, 0.0, 0.0, 8.89717674255371, 41.4071273803711, 0.0, 1.44108521938324, 0.0, 1485.33422851562, 0.0, 0.0, 7.16955280303955, 0.0, 41.7638168334961, 0.111803397536278, , 1478.7646484375, 4.55974721908569, 0.0, 0.0577350258827209, 1402.73681640625, 3.38412761688232, 0.0, 5.0, 0.0, 0.0, 0.0, 1.54264938831329, 0.0, 0.0, 0.0, 0.0, 0.986797273159027, 0.0, 0.0, 0.517177760601044, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H10O%2Fc7-6-4-2-1-3-5-6%2Fh1-5H2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.144337564706802 0.144337564706802, 0.0, 0.433012694120407 0.433012694120407, 0.153093114495277 0.153093114495277, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0, 0.0, 0.144337564706802 0.144337564706802, 0.0, 0.0, 5.0, 5.11288404464722, 0.0, 0.0, 0.119860500097275, 5.14285707473755, 3.3938467502594, 0.0, 0.0, -0.0240863692015409, 0.0, 1.0, 2.34375, 0.0, 3.80735492706299, -0.0319590643048286, 0.288675129413605, 0.0, 0.0, 1.5, 2.74318218231201, 0.0, 0.0, 0.0, -0.00359773938544095, 0.0, 0.0, 0.0, 1.89384686946869, 0.0, 0.0, -0.000287080794805661, 0.0, 1.30671286582947, 0.0, 0.0, 0.0, 5.0, 0.901047587394714, 0.0, 0.0, 0.333333343267441, 0.20412415266037, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 247.009994506836, 0.0883883461356163, 0.0, 0.0360843911767006, 45.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 42.0, 0.0, 0.0, 0.102062076330185, 1.0, 0.102062076330185, 0.0, 0.0, 0.0, 6.08364343643188, 5.0, 0.0, 0.0, 3.04182171821594, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.77446889877319, 0.0, 7.33209180831909, 30.0, 282.326141357422, 0.0, 0.0, 0.0, 0.0, 4.44378232955933, 0.0, 8.66418361663818, 0.0, 292.196197509766, 0.0, 0.0, 2.91123104095459, 5.66418409347534, 0.0, 0.102062076330185, 0.0, 321.069000244141, 0.0, 0.0, 2.09933519363403, 0.0, 1.33209192752838, 0.0, , 188.0625, 1.4112309217453, 0.0, 0.0, 27.6939754486084, 0.946114242076874, 0.0, 0.0, 0.0, 0.0, 0.0, 0.632392168045044, 0.0, 0.0, 0.0, 0.0, 0.0721687823534012, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H11BrO3%2Fc1-13-7-3-4-10%2814-2%298%285-7%299%2812%296-11%2Fh3-5H%2C6H2%2C1-2H3, 1.0, 3.30192732810974, , , , , 0.0, 3.0, 2.00668382644653 2.00668382644653, 0.704970896244049 0.704970896244049, , 2.88538336753845 2.88538336753845, 0.901198387145996 0.901198387145996, , 3.79931259155273 3.79931259155273, , 0.0, 0.0, 0.975243747234344 0.975243747234344, 0.0, 0.200000002980232, 20.0, 10.5520420074463, 0.0, , 0.513232350349426, 12.0714282989502, 6.72307538986206, 0.0, , -0.206110909581184, , 1.0, 5.77777767181396, , 4.80735492706299, -0.0559803135693073, 0.742575824260712, 0.0, , 2.99432897567749, 5.30504083633423, , 0.0, 0.142857149243355, -0.0465478040277958, 0.0, , , 4.6332836151123, , 2.05947661399841, -0.0700819492340088, 0.164266422390938, 3.23639321327209, 0.0, 2.26758503913879, 0.0, 1.0, 2.5088369846344, 0.0, 0.0, 0.75, 1.57611691951752, , , 0.0, , 0.767508387565613, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 443.040008544922, 0.0240562614053488, 0.0, 0.0316699855029583, 150.0, , 0.0, , , 35.5299987792969, 0.0, 1.0, 0.428571432828903, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 299.0, 0.0, 0.0, 0.0680413842201233, 1.0, 0.135508760809898, , , , 2.24957680702209, 5.0, , , 8.44337368011475, , , , 0.0, , 0.0, , 59.5814971923828, , 21.3131351470947, 64.0, 799.453247070312, 0.0, 0.0, , 0.0, 9.62786388397217, , 25.645227432251, 0.0, 881.54345703125, , 0.0, 5.15918636322021, 35.8392944335938, , 0.27130451798439, 0.447213590145111, 1134.87219238281, , 0.0, 3.18375539779663, , 31.0723724365234, 0.0, , 1150.83911132812, 2.33770799636841, , 0.0378436781466007, 886.313903808594, 1.4060081243515, , 2.0, , 0.0, 0.0, 0.896286487579346, , 0.0, , , 0.504793107509613, 0.0, , 0.218189314007759, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H7NO%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H%2C%28H2%2C8%2C9%29, 0.0, 1.0, , , , , 0.0, 1.0, 1.04044008255005 1.04044008255005, 0.239709228277206 0.239709228277206, , 1.05473780632019 1.05473780632019, 0.211746796965599 0.211746796965599, , 1.04044008255005 1.04044008255005, , 0.0, 0.0, 0.159806162118912 0.159806162118912, 0.0, 0.0, 9.0, 6.69023466110229, 0.0, , 0.0934349223971367, 7.11111116409302, 4.30453062057495, 0.0, , -0.0463366359472275, , 1.0, 3.23966932296753, , 4.16992521286011, 0.00452922098338604, 0.5, , , 2.0, 3.6421070098877, , 0.0, 0.0, -0.00463691959157586, 0.0, , , 2.59263896942139, , 0.0, -0.000265967944869772, 0.16666667163372, 1.80083346366882, 0.0, 0.0, 0.0, 0.0, 1.25044357776642, 0.0, 0.0, 0.666666686534882, 0.451184451580048, , , 0.0, , 0.235702261328697, 5.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 184.020004272461, 0.0320750139653683, 0.0, 0.0160375069826841, 69.0, , 0.0, , , 44.0800018310547, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 88.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0589255653321743, , , , 6.08364343643188, 5.0, , , 4.74510288238525, , , , 0.0, , 0.0, , 10.1344566345215, , 9.49827766418457, 40.0, 404.672241210938, 0.0, 0.0, , 0.0, 4.83396482467651, , 12.0517435073853, 0.0, 432.809356689453, , 0.0, 2.63429045677185, 9.99655437469482, , 0.139235034584999, 0.0, 511.568756103516, , 0.0, 1.71463215351105, , 5.99655437469482, 0.0, , 389.013366699219, 1.04722607135773, , 0.0186339002102613, 178.080841064453, 0.596021771430969, , 0.0, , 0.0, 0.0, 0.339151322841644, , 0.0, , , 0.0846979916095734, 0.0, , 0.030381890013814, 1.0, , 0.0, 
-InChI%3D1S%2FC6H14O4%2Fc7-1-3-9-5-6-10-4-2-8%2Fh7-8H%2C1-6H2, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.333333343267441, 7.0, 7.65685415267944, 0.0, 0.0, 0.554108321666718, 10.0, 4.91421365737915, 0.0, 0.0, -0.232366874814034, 0.0, 0.0, 9.0, 0.0, 4.32192802429199, -0.28653547167778, 0.0, 0.0, 0.0, 9.14285755157471, 3.12132024765015, 0.0, 0.0, 0.0, 0.410270363092422, 0.0, 0.0, 0.0, 1.95710682868958, 0.0, 0.0, -0.125316470861435, 0.0, 1.20710682868958, 0.0, 0.0, 0.0, 6.0, 0.728553414344788, 0.0, 0.0, 0.800000011920929, 0.426776707172394, 0.0, 0.0, 0.0, 0.0, 0.239276692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 439.040008544922, 0.0, 0.0, 0.0, 122.0, 0.0, 0.0, 0.0, 0.0, 58.9199981689453, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 165.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.26933193206787, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 2.0, 13.0978765487671, 0.0, 10.9925518035889, 34.0, 284.364318847656, 0.0, 0.0, 0.0, 0.0, 5.95356464385986, 0.0, 9.99255180358887, 0.111111111938953, 268.032379150391, 0.0, 0.0, 3.2871561050415, 9.32340717315674, 0.0, 0.0, 0.942809045314789, 239.577728271484, 0.0, 0.0, 1.67195844650269, 0.0, 7.32836771011353, 0.0, , 206.658737182617, 0.843257784843445, 0.0, 0.0, 172.7001953125, 0.451074719429016, 0.0, 0.0, 0.0, 0.0, 0.0, 0.216287091374397, 2.0, 0.0, 0.0, 0.0, 0.096193365752697, 0.0, 0.0, 0.0471856482326984, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H22O4%2Fc1-3-5-9-15-11%2813%297-8-12%2814%2916-10-6-4-2%2Fh3-10H2%2C1-2H3, 4.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.816496610641479 0.816496610641479, 0.16666667163372 0.16666667163372, 0.0, 0.813052535057068 0.813052535057068, 0.159517794847488 0.159517794847488, 0.0, 0.977283895015717 0.977283895015717, 0.0, 0.0, 0.0, 0.146816805005074 0.146816805005074, 0.0, 0.200000002980232, 15.0, 12.2257680892944, 0.0, 0.0, 0.541708528995514, 16.0, 7.70190715789795, 0.0, 0.0, -0.319130003452301, 0.0, 2.0, 11.484375, 0.0, 5.0, 0.159650325775146, 0.577350258827209, 0.0, 0.0, 11.324444770813, 5.77925729751587, 0.0, 0.0, 0.0769230797886848, -0.0796636641025543, 0.0, 0.0, 0.0, 3.75321888923645, 0.0, 3.26492476463318, -0.28446838259697, 0.0, 2.34330940246582, 0.0, 0.63245552778244, 0.0, 8.0, 1.63796746730804, 0.0, 0.0, 0.857142865657806, 1.03950572013855, 0.0, 0.0, 0.0, 2.0, 0.47052201628685, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1129.0400390625, 0.0, 0.0, 0.0, 288.0, 0.0, 0.0, 0.0, 0.0, 52.5999984741211, 0.0, 0.0, 0.461538463830948, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 590.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.99169063568115, 6.0, 0.0, 0.0, 5.05460739135742, 0.0, 0.0, 0.0, 0.0, , 0.0, 2.0, 19.0978755950928, 0.0, 16.9925518035889, 62.0, 617.683654785156, 0.0, 0.0, 0.0, 0.0, 10.2898473739624, 0.0, 19.5414905548096, 0.200000002980232, 611.20849609375, 0.0, 0.0, 6.01516723632812, 17.6567363739014, 0.0, 0.117851130664349, 1.26491105556488, 630.467590332031, 0.0, 0.0, 3.64804720878601, 0.0, 16.6567363739014, 0.0, , 587.832824707031, 2.05512952804565, 0.0, 0.0, 540.671936035156, 1.00914525985718, 0.0, 2.0, 0.0, 0.0, 0.0, 0.562889397144318, 0.0, 0.0, 0.0, 0.0, 0.343113034963608, 0.0, 0.0, 0.160336509346962, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC16H25NO2%2Fc1-3-4-5-6-7-10-13-19-16-12-9-8-11-15%2816%2917-14%282%2918%2Fh8-9%2C11-12H%2C3-7%2C10%2C13H2%2C1-2H3%2C%28H%2C17%2C18%29, 3.0, 1.65096366405487, , , , , 0.0, 2.0, 1.15688526630402 1.15688526630402, 0.319223135709763 0.319223135709763, , 1.85069835186005 1.85069835186005, 0.432943671941757 0.432943671941757, , 2.47696924209595 2.47696924209595, , 0.0, 0.0, 0.463865697383881 0.463865697383881, 0.0, 0.0, 21.0, 13.9244394302368, 0.0, , 0.319021105766296, 17.0526313781738, 9.23638248443604, 0.0, , -0.164131000638008, , 1.0, 10.7479343414307, , 5.24792766571045, -0.0493304431438446, 0.741581618785858, 0.0, , 8.0, 7.34416103363037, , 0.0, 0.0769230797886848, 0.116011403501034, 0.0, , , 5.01911878585815, , 3.61924481391907, -0.101370438933372, 0.0833333358168602, 3.94392991065979, 0.0, 1.23798990249634, 0.0, 7.0, 3.0041675567627, 0.0, 0.0, 0.857142865657806, 1.78693354129791, , , 0.0, , 1.151740193367, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 1594.03002929688, 0.0277777779847383, 0.0, 0.0237628296017647, 386.0, , 0.0, , , 41.8199996948242, 0.0, 0.0, 0.461538463830948, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.0, 0.0, , , 894.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.117851130664349, , , 0.0, 14.6996955871582, 12.0, , , 7.8262038230896, , , , 0.0, , 0.0, , 20.9089260101318, , 20.3286457061768, 82.0, 984.041931152344, 0.0, 0.0, , 0.0, 12.0618238449097, , 24.3803901672363, 0.0, 1040.23107910156, , 0.0, 7.1980767250061, 23.214204788208, , 0.22347529232502, 0.200000002980232, 1213.06457519531, , 0.0, 4.74297046661377, , 21.9928302764893, 0.0, , 1165.58325195312, 2.90296697616577, , 0.0152145158499479, 1035.12072753906, 1.91042149066925, , 2.0, , 0.0, 0.0, 1.21117663383484, , 0.0, , , 0.646665751934052, 0.0, , 0.370756596326828, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh1%2C5H%2C3-4H2, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.12132024765015, 0.0, 0.0, 0.10556672513485, 5.0, 2.41421365737915, 1.0, 0.0, -0.028407771140337, 0.0, 0.0, 4.0, 0.0, 3.32192802429199, -0.0412524342536926, 0.0, 0.0, 0.0, 4.0, 1.35355341434479, 0.0, 0.0, 0.0, 0.0137354787439108, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 1.65096366405487, 0.00314136478118598, 0.0, 0.353553384542465, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 80.0100021362305, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.77446889877319, 0.0, 4.33209180831909, 14.0, 116.942230224609, 0.0, 0.0, 0.0, 0.0, 2.93877744674683, 0.0, 3.33209204673767, 0.0, 99.5531692504883, 0.0, 0.0, 1.45845627784729, 2.33209204673767, 0.0, 0.0, 0.0, 71.633186340332, 0.0, 0.0, 0.677730917930603, 0.0, 1.33209192752838, 0.0, , 40.5281410217285, 0.256140977144241, 0.0, 0.0, 15.4492664337158, 0.0645497217774391, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H12O%2Fc1-2-3-4-5-6%2Fh6H%2C2-5H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 4.8284273147583, 0.0, 0.0, 0.0834003686904907, 6.0, 2.91421365737915, 0.0, 0.0, -0.0336307436227798, 0.0, 0.0, 5.0, 0.0, 3.58496260643005, -0.00744553282856941, 0.0, 0.0, 0.0, 5.33333349227905, 1.70710682868958, 0.0, 0.0, 0.0, -0.000603174441494048, 0.0, 0.0, 0.0, 0.95710676908493, 0.0, 1.80720400810242, -2.04316365852719e-05, 0.0, 0.5, 0.0, 0.0, 0.0, 4.0, 0.25, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 259.010009765625, 0.0, 0.0, 0.0, 38.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 35.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.96540641784668, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 6.77446889877319, 0.0, 5.33209180831909, 18.0, 189.199462890625, 0.0, 0.0, 0.0, 0.0, 4.2756404876709, 0.0, 4.33209180831909, 0.0, 166.870544433594, 0.0, 0.0, 2.52333450317383, 3.33209204673767, 0.0, 0.0, 0.0, 130.953964233398, 0.0, 0.0, 1.43071353435516, 0.0, 2.33209204673767, 0.0, , 90.0571594238281, 0.761667251586914, 0.0, 0.0, 50.9433059692383, 0.361803412437439, 0.0, 1.0, 0.0, 0.0, 0.0, 0.111803397536278, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H6FN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2, 0.0, 0.333333343267441, , , , , 0.0, 2.0, 0.816496610641479 0.816496610641479, 0.183850407600403 0.183850407600403, , 0.760079681873322 0.760079681873322, 0.144998252391815 0.144998252391815, , 1.13807117938995 1.13807117938995, , 0.0, 0.0, 0.148142129182816 0.148142129182816, 0.0, 0.0, 7.0, 5.98312759399414, 0.0, , 0.112605415284634, 6.125, 3.78769373893738, 0.0, , -0.0329058170318604, , 0.0, 2.51999998092651, , 4.0, -0.00777507480233908, 0.577350258827209, 0.0, , 1.79999995231628, 3.3650438785553, , 0.0, 0.0, -0.00401893444359303, 0.0, , , 2.30453038215637, , 0.0, -0.0433766953647137, 0.0, 1.4267463684082, 0.0, 0.0, 0.0, 0.0, 1.30473780632019, 0.0, 0.0, 0.666666686534882, 0.333333343267441, , , 0.0, , 0.0, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 140.020004272461, 0.0277777779847383, 0.0, 0.0265365205705166, 58.0, , 0.0, , , 26.0200004577637, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 62.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, , , 0.0, 3.30192732810974, 6.0, , , 5.65685415267944, , , , 0.0, , 0.0, , 9.86203193664551, , 8.74797058105469, 36.0, 313.070739746094, 0.0, 0.0, , 0.0, 4.26471567153931, , 11.4959411621094, 0.0, 332.325347900391, , 1.0, 2.29902458190918, 8.49594116210938, , 0.15921913087368, 0.0, 391.3623046875, , 0.0, 1.55155122280121, , 2.74797034263611, 0.0, , 256.517669677734, 0.870005071163177, , 0.0, 62.6226692199707, 0.462780326604843, , 0.0, , 0.0, 0.0, 0.294961512088776, , 0.0, , , 0.0530730411410332, 0.0, , 0.0, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H13NO%2Fc1-5-3-7-4-6%282%298-5%2Fh5-7H%2C3-4H2%2C1-2H3, 4.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.741581618785858 0.741581618785858, 0.359116762876511 0.359116762876511, 0.0, 1.09341299533844 1.09341299533844, 0.542609035968781 0.542609035968781, 0.0, 1.02022004127502 1.02022004127502, 0.0, 0.0, 0.0, 0.43643194437027 0.43643194437027, 0.0, 0.0, 7.0, 5.98312759399414, 0.0, 0.0, 0.237268537282944, 6.125, 3.78769373893738, 0.0, 0.0, -0.104425899684429, 0.0, 0.0, 2.51999998092651, 0.0, 4.0, -0.124974563717842, 0.577350258827209, 0.0, 0.0, 1.79999995231628, 3.37694931030273, 0.0, 0.0, 0.25, 0.101698681712151, 0.0, 0.0, 0.0, 2.19858479499817, 0.0, 1.41421353816986, 0.00906751491129398, 0.0, 1.73736357688904, 0.0, 2.30940103530884, 0.0, 2.0, 0.971404492855072, 0.0, 0.0, 0.333333343267441, 0.451184451580048, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 385.019989013672, 0.0340206921100616, 0.0, 0.0680413842201233, 54.0, 0.0, 0.0, 0.0, 0.0, 21.2600002288818, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 61.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, 0.0, 0.0, 0.0, 0.5, 2.0, 0.0, 0.0, 2.30940103530884, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 9.13445663452148, 0.0, 8.99655437469482, 36.0, 346.684783935547, 0.0, 2.0, 0.0, 0.0, 5.47716236114502, 0.0, 11.660737991333, 0.0, 364.844573974609, 0.0, 0.0, 3.14970850944519, 7.88583660125732, 0.0, 0.333333343267441, 0.0, 433.217864990234, 0.0, 0.0, 2.41556549072266, 0.0, 3.0, 0.0, , 296.664611816406, 1.32820570468903, 0.0, 0.0, 106.41577911377, 0.982658863067627, 0.0, 2.0, 0.0, 0.0, 0.0, 0.467015862464905, 0.0, 0.0, 0.0, 0.0, 0.219416096806526, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H14O%2Fc1-7%282%295-4-6-8%283%299%2Fh5H%2C4%2C6H2%2C1-3H3, 3.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.577350258827209 0.577350258827209, 0.306186228990555 0.306186228990555, 0.0, 0.40824830532074 0.40824830532074, 0.203263133764267 0.203263133764267, 0.0, 0.235702261328697 0.235702261328697, 0.0, 0.0, 0.0, 0.101631566882133 0.101631566882133, 0.0, 0.0, 6.0, 7.27602100372314, 0.0, 0.0, 0.127675086259842, 9.0, 4.1258978843689, 0.0, 0.0, -0.0230213887989521, 0.0, 2.0, 4.83950614929199, 0.0, 4.16992521286011, -0.0375570096075535, 0.816496610641479, 0.0, 0.0, 8.0, 3.71859741210938, 0.0, 0.0, 0.721124768257141, -0.0143013447523117, 0.0, 0.0, 0.0, 1.56294882297516, 0.0, 3.12012577056885, 0.00411556288599968, 0.0, 0.934347689151764, 0.0, 2.68328166007996, 0.0, 2.0, 0.471404522657394, 0.0, 0.0, 1.0, 0.471404522657394, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 412.010009765625, 0.0, 0.0, 0.0, 76.0, 0.0, 1.0, 0.0, 0.0, 17.0699996948242, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 108.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 2.0, 0.0, 0.0, 3.30192732810974, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 9.77446937561035, 0.0, 8.33209228515625, 34.0, 382.160522460938, 0.0, 0.0, 0.0, 0.0, 6.3998122215271, 0.0, 9.66418361663818, 0.0, 367.763519287109, 0.0, 0.0, 3.2546010017395, 6.33209180831909, 0.0, 0.433012694120407, 0.0, 376.451599121094, 0.0, 0.0, 2.52216458320618, 0.0, 5.33209180831909, 0.0, , 265.290100097656, 1.04898548126221, 0.0, 0.0, 206.350921630859, 0.564107060432434, 0.0, 3.0, 0.0, 0.0, 0.0, 0.245969131588936, 0.0, 0.0, 0.0, 0.0, 0.203263133764267, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2F4C2H5.Sn.2H%2Fc4%2A1-2%3B%3B%3B%2Fh4%2A1H2%2C2H3%3B%3B%3B, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0, 36.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 4.16992521286011, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 952.010009765625, 0.0, 0.0, 0.0, -589934592.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32000000000.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 105.686866760254, 0.0, 4.0, 8.0, 122.180549621582, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0, 59.8921203613281, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H10O3%2Fc1-5%282%296%288%299-4-3-7%2Fh7H%2C1%2C3-4H2%2C2H3, 3.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.20710682868958 1.20710682868958, 0.244929805397987 0.244929805397987, 0.0, 0.617851138114929 0.617851138114929, 0.122160486876965 0.122160486876965, 0.0, 0.638071179389954 0.638071179389954, 0.0, 0.0, 0.0, 0.10179939866066 0.10179939866066, 0.0, 0.0, 8.0, 7.27602100372314, 0.0, 0.0, 0.372097313404083, 9.0, 4.180739402771, 0.0, 0.0, -0.21013705432415, 0.0, 2.0, 4.83950614929199, 0.0, 4.16992521286011, 0.0149889225140214, 0.569035589694977, 0.0, 0.0, 4.5, 3.36352944374084, 0.0, 0.0, 0.5, 0.0649631768465042, 0.0, 0.0, 0.0, 2.15109062194824, 0.0, 0.894427180290222, -0.103431798517704, 0.235702261328697, 0.859432756900787, 0.0, 2.82842707633972, 0.0, 2.0, 0.557677507400513, 0.0, 0.0, 1.0, 0.235702261328697, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 252.029998779297, 0.0, 0.0, 0.0, 74.0, 0.0, 1.0, 0.0, 0.0, 46.5299987792969, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 102.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.3731781244278, 0.0, 0.0, 0.0, 1.0, , 0.0, 1.0, 11.3234071731567, 0.0, 9.32836818695068, 34.0, 299.128326416016, 0.0, 0.0, 0.0, 0.0, 5.38503074645996, 0.0, 11.1028366088867, 0.200000002980232, 292.724914550781, 0.0, 0.0, 2.61670446395874, 10.434928894043, 0.0, 0.218443363904953, 0.816496610641479, 309.056488037109, 0.0, 0.0, 1.6398561000824, 0.0, 5.66418409347534, 0.0, , 248.277450561523, 0.672905206680298, 0.0, 0.0294627826660872, 154.773468017578, 0.261541068553925, 0.0, 1.0, 0.0, 0.0, 0.0, 0.128571107983589, 1.0, 0.0, 0.0, 0.0, 0.0389592051506042, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H10O%2Fc1-3-5-6%287%294-2%2Fh3-4%2C6-7H%2C1-2%2C5H2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.492799282073975 0.492799282073975, 0.135393664240837 0.135393664240837, 0.0, 0.40824830532074 0.40824830532074, 0.086066298186779 0.086066298186779, 0.0, 0.20412415266037 0.20412415266037, 0.0, 0.0, 0.0, 0.0304290316998959 0.0304290316998959, 0.0, 0.0, 5.0, 5.69867038726807, 0.0, 0.0, 0.0842875465750694, 7.0, 3.30806040763855, 0.0, 0.0, -0.0277638174593449, 0.0, 0.0, 4.16666650772095, 0.0, 3.80735492706299, -0.0198554992675781, 0.288675129413605, 0.0, 0.0, 3.83999991416931, 2.30209517478943, 0.0, 0.0, 0.200000002980232, 0.00437680585309863, 0.0, 0.0, 0.0, 1.47839784622192, 0.0, 2.80396580696106, 0.00108757987618446, 0.0, 0.696923434734344, 0.0, 0.816496610641479, 0.0, 1.0, 0.20412415266037, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 214.009994506836, 0.0, 0.0, 0.0, 45.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 2.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 50.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 1.65096366405487, 2.0, 0.0, 0.0, 2.38110160827637, 0.0, 0.0, 0.0, 2.0, , 0.0, 0.0, 7.77446889877319, 0.0, 6.33209180831909, 24.0, 268.202178955078, 0.0, 1.0, 0.0, 0.0, 4.30058479309082, 0.0, 6.66418409347534, 0.0, 251.338256835938, 0.0, 0.0, 2.22452545166016, 5.66418409347534, 0.0, 0.105409257113934, 0.0, 237.211700439453, 0.0, 0.0, 1.32742726802826, 0.0, 3.33209204673767, 0.0, , 174.381042480469, 0.680234611034393, 0.0, 0.0, 92.3272857666016, 0.266985684633255, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0680413842201233, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H18S2%2Fc1-3-9-7-5-6-8-10-4-2%2Fh3-8H2%2C1-2H3, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 7.0, 7.65685415267944, 0.0, 0.0, 0.0532336235046387, 10.0, 4.91421365737915, 0.0, 0.0, -0.0292586721479893, 0.0, 0.0, 9.0, 0.0, 4.32192802429199, 0.00104014680255204, 0.0, 0.0, 0.0, 9.14285755157471, 3.12132024765015, 0.0, 0.0, 0.111111111938953, 0.00268669822253287, 0.0, 0.0, 0.0, 1.95710682868958, 0.0, 3.18138217926025, -0.0143933882936835, 0.0, 1.20710682868958, 0.0, 0.0, 0.0, 6.0, 0.728553414344788, 0.0, 0.0, 0.800000011920929, 0.426776707172394, 0.0, 0.0, 0.0, 0.0, 0.239276692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 639.02001953125, 0.0, 0.0, 0.0, 122.0, 0.0, 0.0, 0.0, 0.0, 50.5999984741211, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 165.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.8963303565979, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 22.2555065155029, 0.0, 15.6791410446167, 34.0, 673.006164550781, 0.0, 0.0, 0.0, 0.0, 8.69213008880615, 0.0, 14.6791410446167, 0.0, 631.079833984375, 0.0, 0.0, 6.37831497192383, 10.3395700454712, 0.0, 0.0, 0.0, 562.360290527344, 2.0, 0.0, 4.88864755630493, 0.0, 9.33957004547119, 0.0, , 487.37744140625, 3.20679569244385, 0.0, 0.0, 404.331207275391, 2.09077024459839, 0.0, 2.0, 0.0, 0.0, 0.0, 1.42038512229919, 0.0, 0.0, 0.0, 0.0, 0.963342785835266, 0.0, 0.0, 0.717830061912537, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7HF5O%2Fc8-3-2%281-13%294%289%296%2811%297%2812%295%283%2910%2Fh1H, 0.0, 9.12546539306641, , , , , 0.0, 6.0, 3.48826050758362 3.48826050758362, 0.589825451374054 0.589825451374054, , 5.19171476364136 5.19171476364136, 0.608447432518005 0.608447432518005, , 7.23896408081055 7.23896408081055, , 0.0, 0.0, 0.607708156108856 0.607708156108856, 0.0, 0.0, 23.0, 10.1712083816528, 0.0, , 0.664516806602478, 11.0769233703613, 6.00210618972778, 0.0, , -0.0316098853945732, , 0.0, 4.02216053009033, , 4.70043992996216, -0.17957204580307, 1.09833323955536, 0.0, , 1.77514791488647, 5.36768674850464, , 0.0, 0.0, -0.250661611557007, 0.0, , , 5.13947534561157, , 0.0, -0.0643697679042816, 0.601579308509827, 3.43868207931519, 0.0, 0.0, 0.0, 0.0, 1.98532402515411, 0.0, 0.0, 0.5, 1.01792728900909, , , 0.0, 1.0, 0.34362655878067, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 40.060001373291, 0.015625, 0.0, 0.0385495722293854, 117.0, , 0.0, , , 17.0699996948242, 1.0, 1.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 220.0, 0.0, 0.0, 0.0370370373129845, 0.0, 0.211374327540398, , 0.0, 0.0, 0.0, 5.0, 0.0, , 2.62074136734009, , 0.0, , 0.0, , 0.0, 0.0, 21.284688949585, , 16.2410182952881, 64.0, 394.074005126953, 0.0, 0.0, 0.0, 0.0, 5.87542104721069, , 25.1499423980713, 0.0, 460.730743408203, , 0.0, 2.96928858757019, 36.6537818908691, , 0.308396577835083, 0.0, 637.109375, , 0.0, 2.10143733024597, , 28.9590225219727, 0.0, , 635.234375, 1.36161041259766, , 0.0629915222525597, 359.067779541016, 0.725348711013794, , 0.0, , 0.0, 0.0, 0.362674355506897, 0.0, 0.0, , , 0.134462177753448, 0.0, , 0.028681518509984, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.146240457892418, 4.0, 1.73205077648163, 0.0, 0.0, -0.109680347144604, 0.0, 0.0, 1.33333337306976, 0.0, 3.0, 0.0365601144731045, 0.577350258827209, 0.0, 0.0, , 1.73205077648163, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.03000020980835, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 27.1382598876953, 0.0, 8.85521221160889, 12.0, 177.885971069336, 0.0, 1.0, 0.0, 0.0, 3.97903060913086, 0.0, 26.1382598876953, 0.0, 151.20263671875, 0.0, 0.0, 1.96396100521088, 0.0, 0.0, 0.841697573661804, 0.0, 105.975578308105, 0.0, 0.0, 2.22692251205444, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC20H28O2%2Fc1-13%282%2914-6-8-16-15%2812-14%297-9-17-19%2816%2C3%2910-5-11-20%2817%2C4%2918%2821%2922%2Fh6%2C8%2C12-13%2C17H%2C5%2C7%2C9-11H2%2C1-4H3%2C%28H%2C21%2C22%29%2Ft17-%2C19-%2C20-%2Fm1%2Fs1, 4.0, 4.77054214477539, 0.0, 0.0, 0.0, 0.0, 4.79417181015015, 3.0, 6.67987442016602 6.67987442016602, 4.37739562988281 4.37739562988281, 0.0, 10.3507375717163 10.3507375717163, 6.95962905883789 6.95962905883789, 0.0, 14.9735403060913 14.9735403060913, 0.0, 0.0, 0.0, 9.18525123596191 9.18525123596191, 0.0, 0.0, 45.0, 16.1209564208984, 0.0, 0.0, 0.188124299049377, 16.84375, 10.2873649597168, 0.0, 0.0, -0.0969829186797142, 0.0, 1.0, 5.81717443466187, 0.0, 5.45943164825439, 0.0150871789082885, 2.56078720092773, 0.0, 0.0, 2.60631012916565, 10.3335494995117, 0.0, 0.0, 1.06624269485474, -0.0115196984261274, 0.235702261328697, 0.0, 0.0, 8.98092079162598, 0.0, 7.41192483901978, -0.000617480895016342, 1.25924348831177, 7.22001552581787, 0.0, 6.50168895721436, 0.249296993017197, 5.0, 5.74754571914673, 0.0, 2.30940103530884, 1.0, 4.27081966400146, 0.0, 0.0, 0.0, 1.0, 3.32086515426636, 3.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 2242.02001953125, 0.111171692609787, 0.0, 0.353413641452789, 354.0, 0.0, 0.0, 0.0, 0.0, 37.2999992370605, 0.0, 5.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 943.0, 0.0, 0.0, 0.167184934020042, 0.0, 0.492719799280167, 0.0, 0.0, 0.0, 9.12534141540527, 8.0, 0.0, 0.0, 16.7050762176514, 0.0, 0.0, 0.0, 0.0, , 6.39922857284546, 0.0, 23.5489387512207, 0.0, 24.6641845703125, 124.0, 1862.19128417969, 0.0, 2.0, 0.0, 0.0, 14.2777471542358, 0.0, 39.4386520385742, 0.5, 2283.81396484375, 0.0, 0.0, 8.65539932250977, 46.9925537109375, 0.0, 1.96143758296967, 0.0, 3534.421875, 0.0, 0.0, 8.1561861038208, 0.0, 41.9925537109375, 0.20412415266037, , 3904.99560546875, 6.53258657455444, 0.0, 0.643677830696106, 3210.61547851562, 5.12650871276855, 0.0, 4.0, 0.0, 0.12026546895504, 0.0, 3.66865229606628, 1.0, 0.0, 0.0, 0.0, 2.60294628143311, 0.0, 0.0, 1.75200963020325, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H10Cl2%2Fc6-4-2-1-3-5-7%2Fh1-5H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 5.5355339050293, 0.0, 0.0, 0.0881138369441032, 7.0, 3.41421365737915, 0.0, 0.0, -0.0356913544237614, 0.0, 0.0, 6.0, 0.0, 3.80735492706299, -0.00647038081660867, 0.0, 0.0, 0.0, 6.0, 2.06066012382507, 0.0, 0.0, 0.0, 0.00551068084314466, 0.0, 0.0, 0.0, 1.20710682868958, 0.0, 0.0, 0.00952977873384953, 0.0, 0.676776707172394, 0.0, 0.0, 0.0, 5.0, 0.353553384542465, 0.0, 0.0, 1.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 214.020004272461, 0.0, 0.0, 0.0, 54.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 56.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.67623996734619, 3.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 22.4255065917969, 0.0, 9.90347480773926, 22.0, 314.575714111328, 0.0, 0.0, 0.0, 0.0, 5.80332088470459, 0.0, 8.90347480773926, 0.0, 283.869598388672, 0.0, 0.0, 3.60356736183167, 7.90347480773926, 0.0, 0.0, 0.0, 233.209945678711, 0.0, 0.0, 2.19455361366272, 0.0, 6.90347480773926, 0.0, , 179.773147583008, 1.30178368091583, 0.0, 0.0, 125.920036315918, 0.743723392486572, 0.0, 0.0, 0.0, 0.0, 0.0, 0.400891870260239, 0.0, 0.0, 0.0, 0.0, 0.227284327149391, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12O%2Fc1-3-4-5-6%282%297%2Fh3-5H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.102062076330185 0.102062076330185, 0.0, 0.20412415266037 0.20412415266037, 0.0721687823534012 0.0721687823534012, 0.0, 0.20412415266037 0.20412415266037, 0.0, 0.0, 0.0, 0.0721687823534012 0.0721687823534012, 0.0, 0.0, 4.0, 5.69867038726807, 0.0, 0.0, 0.121041655540466, 7.0, 3.27005553245544, 0.0, 0.0, -0.0234891343861818, 0.0, 1.0, 4.16666650772095, 0.0, 3.80735492706299, -0.035192534327507, 0.40824830532074, 0.0, 0.0, 6.0, 2.53607535362244, 0.0, 0.0, 0.200000002980232, -0.00172984669916332, 0.0, 0.0, 0.0, 1.13502776622772, 0.0, 2.62074136734009, -0.000106045532447752, 0.0, 0.61237245798111, 0.0, 1.0, 0.0, 3.0, 0.40824830532074, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 282.010009765625, 0.0, 0.0, 0.0, 47.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 52.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 3.0, 0.0, 0.0, 1.65096366405487, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.77446889877319, 0.0, 6.33209180831909, 24.0, 240.251922607422, 0.0, 0.0, 0.0, 0.0, 5.02956867218018, 0.0, 6.66418409347534, 0.0, 221.124282836914, 0.0, 0.0, 2.76478433609009, 4.33209180831909, 0.0, 0.144337564706802, 0.0, 204.05598449707, 0.0, 0.0, 1.80556845664978, 0.0, 3.33209204673767, 0.0, , 136.50715637207, 0.882392168045044, 0.0, 0.0, 89.5338745117188, 0.425722181797028, 0.0, 2.0, 0.0, 0.0, 0.0, 0.248945474624634, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H13N%2Fc1-8-4-6-9%287-5-8%2910%282%293%2Fh4-7H%2C1-3H3, 1.0, 0.333333343267441, , , , , 0.0, 2.0, 1.44868838787079 1.44868838787079, 0.685786485671997 0.685786485671997, , 1.40419375896454 1.40419375896454, 0.540862739086151 0.540862739086151, , 1.49826681613922 1.49826681613922, , 0.0, 0.0, 0.493535995483398, 0.0, 0.0, 11.0, 7.56047773361206, 0.0, , 0.0936712920665741, 8.10000038146973, 4.69837713241577, 0.0, , -0.0624483674764633, , 0.0, 3.40828394889832, , 4.32192802429199, 0.0101055996492505, 0.788675129413605, , , 2.28571438789368, 4.26396894454956, , , 0.721124768257141, 0.00502005685120821, 0.0, , , 3.00332260131836, , 3.88832259178162, 0.000470997154479846, 0.16666667163372, 1.95252978801727, 0.0, 2.21041893959045, 0.0, 0.0, 1.44913530349731, 0.0, 0.0, 1.0, 0.919957399368286, , , 0.0, , 0.19245009124279, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 439.010009765625, 0.0277777779847383, 0.0, 0.0402003787457943, 88.0, , 0.0, , , 3.24000000953674, 0.0, 1.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 120.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, , , , 3.30192732810974, 5.0, , , 5.65685415267944, , , , 0.0, , 0.0, , 10.3599882125854, , 10.498556137085, 46.0, 538.196472167969, 0.0, 0.0, , 0.0, 6.75661468505859, , 13.3323707580566, 0.0, 578.507629394531, , 0.0, 3.43940114974976, 11.3323707580566, , 0.464809060096741, 0.0, 718.280822753906, , 0.0, 2.72997641563416, , 6.16618537902832, 0.0, , 578.649108886719, 1.55036914348602, , 0.0745356008410454, 291.777465820312, 0.842905879020691, , 3.0, , 0.0, 0.0, 0.52953165769577, , 0.0, , , 0.315538257360458, 0.0, , 0.0496903993189335, 0.0, , 0.0, 
-InChI%3D1S%2FC5Cl5N%2Fc6-1-2%287%294%289%2911-5%2810%293%281%298, 2.0, 6.08364343643188, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 2.88704609870911 2.88704609870911, 1.91557288169861 1.91557288169861, 0.0, 3.69016051292419 3.69016051292419, 2.25116658210754 2.25116658210754, 0.0, 5.03910875320435 5.03910875320435, 0.0, 0.0, 0.0, 2.70375323295593 2.70375323295593, 0.0, 0.0, 17.0, 8.59385776519775, 0.0, 0.0, 0.316706389188766, 9.09090900421143, 5.03658103942871, 0.0, 0.0, -0.0825137495994568, 0.0, 0.0, 3.1640625, 0.0, 4.45943164825439, -0.0896635428071022, 1.04875481128693, 0.0, 0.0, 1.60000002384186, 4.76762008666992, 0.0, 0.0, 0.0, -0.0321434438228607, 0.0, 0.0, 0.0, 4.19739627838135, 0.0, 0.0, 0.00191767292562872, 0.494387745857239, 2.53098058700562, 0.0, 0.0, 0.0, 0.0, 1.52339267730713, 0.0, 0.0, 0.666666686534882, 0.753461480140686, 0.0, 0.0, 0.0, 0.0, 0.181443691253662, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.0600004196167, 0.0139754246920347, 0.0, 0.0792332142591476, 89.0, 0.0, 0.0, 0.0, 0.0, 12.8900003433228, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 140.0, 0.0, 0.0, 0.0453609228134155, 0.0, 0.226804599165916, 0.0, 1.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 49.923755645752, 0.0, 21.0910568237305, 54.0, 882.893249511719, 0.0, 0.0, 0.0, 0.0, 8.61668109893799, 0.0, 36.8308143615723, 0.0, 1003.76953125, 0.0, 0.0, 4.28194713592529, 68.5156402587891, 0.0, 0.678756296634674, 0.0, 1356.38854980469, 0.0, 0.0, 3.48528957366943, 0.0, 50.1002349853516, 0.0, , 1232.39294433594, 2.99183368682861, 0.0, 0.304461508989334, 552.756958007812, 1.46068716049194, 0.0, 0.0, 0.0, 0.0, 0.0, 0.712728679180145, 0.0, 0.0, 0.0, 0.0, 0.30645540356636, 0.0, 0.0, 0.0718736127018929, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H19N%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9H%2C13H2%2C1-4H3, 4.0, 5.67623996734619, , , , , 0.0, 3.0, 2.51677393913269 2.51677393913269, 1.39779186248779 1.39779186248779, , 3.77983808517456 3.77983808517456, 1.62147402763367 1.62147402763367, , 4.35032272338867 4.35032272338867, , 0.0, 0.0, 1.6768753528595 1.6768753528595, 0.0, 0.0, 19.0, 10.0080718994141, 0.0, , 0.0268562994897366, 11.0769233703613, 6.03658103942871, 0.0, , -0.00886915065348148, , 0.0, 4.48148155212402, , 4.70043992996216, -0.00387806561775506, 1.13128232955933, 0.0, , 2.47933888435364, 5.60576343536377, , 0.0, 1.44224953651428, -0.00065040320623666, 0.0, , , 4.13821697235107, , 3.06523776054382, -3.11461444653105e-05, 0.429300367832184, 3.31346035003662, 0.0, 7.67703914642334, 0.0, 0.0, 1.93341875076294, 0.0, 0.0, 1.0, 1.08348917961121, , , 0.0, , 0.54997193813324, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 868.010009765625, 0.0240562614053488, 0.0, 0.0416666679084301, 119.0, , 0.0, , , 26.0200004577637, 0.0, 4.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 234.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.146608799695969, , 0.0, 0.0, 2.38110160827637, 4.0, , , 6.5518536567688, , 0.0, , 0.0, , 0.0, , 13.3599882125854, , 13.1661853790283, 62.0, 847.81689453125, 0.0, 2.0, 0.0, 0.0, 8.96410179138184, , 18.3323707580566, 0.0, 948.015991210938, , 1.0, 4.91944360733032, 19.6647415161133, , 0.816185712814331, 0.0, 1260.35021972656, , 0.0, 4.15954303741455, , 16.8309268951416, 0.0, , 1231.07763671875, 2.4175922870636, , 0.214779183268547, 890.813903808594, 1.60858237743378, , 4.0, , 0.0, 0.0, 0.859116733074188, , 0.0, , , 0.473373651504517, 0.0, , 0.191298648715019, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H4Cl4%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3%2C7H, 1.0, 4.24264049530029, , , , , 0.0, 3.0, 1.86414384841919 1.86414384841919, 1.32344186306 1.32344186306, , 3.48024153709412 3.48024153709412, 2.47606730461121 2.47606730461121, , 3.38205671310425 3.38205671310425, , 0.0, 0.0, 2.02338099479675 2.02338099479675, 0.0, 0.0, 15.0, 8.43072128295898, 0.0, , 0.176104232668877, 9.09090900421143, 5.1258978843689, 0.0, , -0.0532740764319897, , 0.0, 3.59999990463257, , 4.45943164825439, 0.0304138585925102, 0.915848970413208, 0.0, , 1.9753086566925, 4.70683860778809, , 0.0, 0.0, -0.159005910158157, 0.0, , , 3.40286374092102, , 0.0, 0.0948433205485344, 0.268245965242386, 3.02167391777039, 0.0, 0.0, 0.0, 0.0, 1.35738360881805, 0.0, 0.0, 0.666666686534882, 0.740749597549438, , , 0.0, , 0.235702261328697, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 115.040000915527, 0.0240562614053488, 0.0, 0.0684433579444885, 83.0, , 0.0, , , 0.0, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 144.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.175366476178169, , 0.0, 0.0, 2.38110160827637, 5.0, , , 5.3686580657959, , , , 0.0, , 0.0, , 41.8510131835938, , 18.8069496154785, 52.0, 845.779113769531, 0.0, 1.0, , 0.0, 8.34497451782227, , 34.4231796264648, 0.0, 945.657958984375, , 0.0, 4.47589302062988, 34.5173721313477, , 0.770649373531342, 0.0, 1222.47326660156, , 0.0, 3.84669518470764, , 62.2741928100586, 0.0, , 1119.44384765625, 2.3135392665863, , 0.187279552221298, 671.68310546875, 2.02843022346497, , 0.0, , 0.0, 0.0, 0.621711075305939, , 0.0, , , 0.324733823537827, 0.0, , 0.0944911167025566, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC5H6ClN3%2Fc1-3-2-4%286%299-5%287%298-3%2Fh2H%2C1H3%2C%28H2%2C7%2C8%2C9%29, 2.0, 1.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0 1.0, 0.54144012928009 0.54144012928009, 0.0, 1.99578189849854 1.99578189849854, 0.88539719581604 0.88539719581604, 0.0, 1.74740028381348 1.74740028381348, 0.0, 0.0, 0.0, 0.672627210617065 0.672627210617065, 1.0, 0.0, 9.0, 6.85337114334106, 0.0, 0.0, 0.173901379108429, 7.11111116409302, 4.18154048919678, 0.0, 0.0, -0.139572754502296, 0.0, 1.0, 2.72222232818604, 0.0, 4.16992521286011, 0.125052362680435, 0.866025388240814, 0.0, 0.0, 2.0, 4.02262210845947, 0.0, 0.0, 0.0, -0.0976873189210892, 0.0, 0.0, 0.0, 2.41421365737915, 0.0, 0.5, 0.025257021188736, 0.0, 2.34933519363403, 0.0, 1.44224953651428, 0.0, 1.0, 0.985598564147949, 0.0, 0.0, 0.333333343267441, 0.696923434734344, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 289.040008544922, 0.0294627826660872, 0.0, 0.0776018276810646, 63.0, 0.0, 0.0, 0.0, 0.0, 47.9099998474121, 0.0, 0.0, 0.25, 0.0, 0.5, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 84.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.20412415266037, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 2.0800838470459, 1.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 17.7927169799805, 0.0, 11.7826633453369, 42.0, 497.804565429688, 0.0, 2.0, 0.0, 0.0, 5.99570083618164, 0.0, 17.9725303649902, 0.0, 540.083740234375, 0.0, 0.0, 3.37585067749023, 13.5682153701782, 0.0, 0.498079180717468, 0.0, 668.719604492188, 0.0, 0.0, 2.79478597640991, 0.0, 13.3348379135132, 0.0, , 490.197021484375, 1.53946602344513, 0.0, 0.0, 241.670928955078, 1.24931144714355, 0.0, 1.0, 0.0, 0.0, 0.0, 0.450355350971222, 0.0, 0.0, 0.0, 0.0, 0.265319645404816, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H8N2O%2Fc1-5-3-6%282%2910-8%2811%297%285%294-9%2Fh3H%2C1-2H3%2C%28H%2C10%2C11%29, 3.0, 3.53277564048767, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 1.81169605255127 1.81169605255127, 0.603042721748352 0.603042721748352, 0.0, 3.20645904541016 3.20645904541016, 0.768009126186371 0.768009126186371, 0.0, 3.24168944358826 3.24168944358826, 0.0, 0.0, 0.0, 0.667647838592529 0.667647838592529, 0.25, 0.0, 15.0, 8.43072128295898, 0.0, 0.0, 0.249546319246292, 9.09090900421143, 5.14706563949585, 0.0, 0.0, -0.0809170082211494, 0.0, 0.0, 3.59999990463257, 0.0, 4.45943164825439, -0.00469178892672062, 0.896162390708923, 0.0, 0.0, 1.9753086566925, 4.60324668884277, 0.0, 0.0, 0.25, -0.118819609284401, 0.0, 0.0, 0.0, 3.48151588439941, 0.0, 1.43721640110016, 0.101904734969139, 0.19245009124279, 3.08074188232422, 0.0, 3.56158328056335, 0.0, 0.0, 1.3610360622406, 0.0, 0.0, 1.0, 0.993793487548828, 0.0, 0.0, 0.0, 0.0, 0.157134845852852, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 251.029998779297, 0.0161374304443598, 0.0, 0.047560453414917, 91.0, 0.0, 0.0, 0.0, 0.0, 56.9099998474121, 0.0, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 146.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.205950379371643, 0.0, 1.0, 0.0, 0.333333343267441, 2.0, 0.0, 0.0, 4.52174520492554, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 12.4944448471069, 0.0, 11.8306474685669, 52.0, 526.244018554688, 0.0, 0.0, 0.0, 0.0, 6.41899108886719, 0.0, 16.5502986907959, 0.0, 585.763977050781, 0.0, 0.0, 3.22177743911743, 16.6610164642334, 0.0, 0.385937005281448, 0.0, 770.705505371094, 0.0, 0.0, 2.39094519615173, 0.0, 13.4082860946655, 0.0, , 685.895874023438, 1.4373961687088, 0.0, 0.0485843904316425, 387.025573730469, 0.955250024795532, 0.0, 2.0, 0.0, 0.0, 0.0, 0.37660425901413, 1.0, 1.0, 0.0, 0.0, 0.196714133024216, 1.0, 0.0, 0.0188940335065126, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC7H6Cl2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4H%2C1H3, 1.0, 1.65096366405487, , , , , 0.0, 3.0, 1.47827804088593 1.47827804088593, 0.916017174720764 0.916017174720764, , 1.55802857875824 1.55802857875824, 0.812237024307251 0.812237024307251, , 2.07593297958374 2.07593297958374, , 0.0, 0.0, 0.97514134645462 0.97514134645462, 0.0, 0.0, 10.0, 6.85337114334106, 0.0, , 0.0880994349718094, 7.11111116409302, 4.19837713241577, 0.0, , -0.0181169770658016, , 0.0, 2.72222232818604, , 4.16992521286011, -0.0434113033115864, 0.760079681873322, 0.0, , 1.70414197444916, 3.87279200553894, , 0.0, 0.0, 0.0181275177747011, 0.0, , , 2.86036610603333, , 1.31037068367004, -0.00063841202063486, 0.16666667163372, 1.81676292419434, 0.0, 1.31037068367004, 0.0, 0.0, 1.33160018920898, 0.0, 0.0, 0.666666686534882, 0.504473328590393, , , 0.0, , 0.0680413842201233, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 153.020004272461, 0.0240562614053488, 0.0, 0.0786107331514359, 67.0, , 0.0, , , 0.0, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 84.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.20412415266037, , 0.0, 0.0, 1.65096366405487, 5.0, , , 5.85380077362061, , 0.0, , 0.0, , 0.0, , 24.4255065917969, , 12.9034748077393, 42.0, 558.776123046875, 0.0, 0.0, , 0.0, 6.49983787536621, , 19.8069496154785, 0.0, 607.754333496094, , 0.0, 3.37192726135254, 25.519702911377, , 0.493993490934372, 0.0, 758.986755371094, , 0.0, 2.73196339607239, , 9.85521221160889, 0.0, , 574.710144042969, 1.81413245201111, , 0.107142858207226, 200.168319702148, 0.953808188438416, , 1.0, , 0.0, 0.0, 0.607593774795532, , 0.0, , , 0.20446702837944, 0.0, , 0.0309294778853655, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H3Br3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, 0.0, 3.53277564048767, , , , , 0.0, 4.0, 2.00613451004028 2.00613451004028, 1.43194711208344 1.43194711208344, , 2.69851565361023 2.69851565361023, 2.99095296859741 2.99095296859741, , 3.27736973762512 3.27736973762512, , 0.0, 0.0, 2.79625225067139 2.79625225067139, 0.0, 0.0, 13.0, 7.72361469268799, 0.0, , 0.17809209227562, 8.10000038146973, 4.60906076431274, 0.0, , -0.0216550268232822, , 0.0, 2.93877553939819, , 4.32192802429199, -0.0686763674020767, 0.952529728412628, , , 1.75, 4.39026069641113, , 0.0, 0.0, -0.0229221675544977, 0.0, , , 3.34344482421875, , 0.0, -0.00501364748924971, 0.272165536880493, 2.35571956634521, 0.0, 0.0, 0.0, 0.0, 1.30466866493225, 0.0, 0.0, 0.666666686534882, 0.69780433177948, , , 0.0, , 0.111111111938953, 2.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 79.0400009155273, 0.020833333954215, 0.0, 0.132064506411552, 76.0, , 0.0, , , 20.2299995422363, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 110.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.222222223877907, , , , 0.5, 6.0, , , 5.11154460906982, , , , 0.0, , 0.0, , 140.548736572266, , 27.2901191711426, 48.0, 895.823791503906, 0.0, 0.0, , 0.0, 9.49379730224609, , 48.5802383422852, 0.0, 992.0908203125, , 0.0, 4.82424879074097, 63.3041877746582, , 0.950175225734711, 0.0, 1282.87463378906, , 0.0, 4.34239101409912, , 154.064392089844, 0.0, , 1084.181640625, 2.64847993850708, , 0.12677313387394, 494.115631103516, 2.79326272010803, , 0.0, , 0.0, 0.0, 0.736177682876587, , 0.0, , , 0.70320862531662, 0.0, , 0.0365962535142899, 0.0, , 0.0, 
-InChI%3D1S%2FC2H3Cl3%2Fc1-2%283%2C4%295%2Fh1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.121291056275368, 5.0, 2.0, 0.0, 0.0, -0.0756512582302094, 0.0, 0.0, 1.0, 0.0, 3.32192802429199, 0.0150057300925255, 2.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 29.0300006866455, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 28.1382598876953, 0.0, 9.85521221160889, 20.0, 270.68994140625, 0.0, 0.0, 0.0, 0.0, 4.90168046951294, 0.0, 34.9934730529785, 0.0, 258.240936279297, 0.0, 0.0, 2.20084023475647, 0.0, 0.0, 2.65750288963318, 0.0, 263.726318359375, 0.0, 0.0, 3.62941145896912, 0.0, 0.0, 0.728931486606598, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H6ClN%2Fc1-5-3-2-4-6%287%298-5%2Fh2-4H%2C1H3, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.741581618785858 0.741581618785858, 0.296793252229691 0.296793252229691, 0.0, 1.09341299533844 1.09341299533844, 0.397264182567596 0.397264182567596, 0.0, 1.02022004127502 1.02022004127502, 0.0, 0.0, 0.0, 0.310429453849792 0.310429453849792, 0.0, 0.0, 7.0, 5.98312759399414, 0.0, 0.0, 0.101571850478649, 6.125, 3.78769373893738, 0.0, 0.0, -0.066977858543396, 0.0, 0.0, 2.51999998092651, 0.0, 4.0, 0.0229573436081409, 0.577350258827209, 0.0, 0.0, 1.79999995231628, 3.37694931030273, 0.0, 0.0, 0.0, -0.00236334535293281, 0.0, 0.0, 0.0, 2.19858479499817, 0.0, 1.04004192352295, -0.00440206192433834, 0.0, 1.73736357688904, 0.0, 1.15470051765442, 0.0, 0.0, 0.971404492855072, 0.0, 0.0, 0.333333343267441, 0.451184451580048, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 140.020004272461, 0.0215165745466948, 0.0, 0.0459140762686729, 54.0, 0.0, 0.0, 0.0, 0.0, 12.8900003433228, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 61.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, 0.0, 1.0, 0.0, 2.38110160827637, 4.0, 0.0, 0.0, 3.30192732810974, 1.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 16.0727424621582, 0.0, 10.2841081619263, 36.0, 396.976837158203, 0.0, 0.0, 0.0, 0.0, 5.31315803527832, 0.0, 14.8925657272339, 0.0, 419.953857421875, 0.0, 0.0, 2.75817728042603, 11.0696601867676, 0.0, 0.275484442710876, 0.0, 495.969024658203, 0.0, 0.0, 1.98894071578979, 0.0, 6.90347480773926, 0.0, , 337.746856689453, 1.06484615802765, 0.0, 0.0, 117.431221008301, 0.715831577777863, 0.0, 1.0, 0.0, 0.0, 0.0, 0.311291962862015, 0.0, 0.0, 0.0, 0.0, 0.146382629871368, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.33333337306976 1.33333337306976, 1.4578629732132 1.4578629732132, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 5.154700756073, 0.0, 0.0, 0.134521722793579, 6.0, 2.64273452758789, 0.0, 0.0, -0.0448405742645264, 0.0, 2.0, 2.22222232818604, 0.0, 3.58496260643005, -0.0672608613967896, 0.666666686534882, 0.0, 0.0, 3.0, 2.48803377151489, 0.0, 0.0, 0.0, 0.0448405742645264, 0.0, 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.03999996185303, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 29.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 36.8510131835938, 0.0, 12.8069496154785, 22.0, 374.542022705078, 0.0, 0.0, 0.0, 0.0, 5.53557348251343, 0.0, 29.2324562072754, 0.0, 360.666381835938, 0.0, 0.0, 2.51778674125671, 34.8510131835938, 0.0, 0.642857134342194, 0.0, 356.131713867188, 0.0, 0.0, 2.41960763931274, 0.0, 0.0, 0.0, , 182.736328125, 1.28571426868439, 0.0, 0.413265317678452, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H14O%2Fc1-4-6%283%2C7%295-2%2Fh7H%2C4-5H2%2C1-3H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.70710682868958 1.70710682868958, 1.03983461856842 1.03983461856842, 0.0, 1.0 1.0, 0.585410177707672 0.585410177707672, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 6.0, 5.91421365737915, 0.0, 0.0, 0.070335641503334, 7.0, 3.12132024765015, 0.0, 0.0, -0.0165177080780268, 0.0, 0.0, 2.34375, 0.0, 3.80735492706299, -0.0177779365330935, 1.20710682868958, 0.0, 0.0, 2.66666674613953, 2.87132024765015, 0.0, 0.0, 0.908560276031494, -0.000879490573424846, 0.25, 0.0, 0.0, 1.91421353816986, 0.0, 3.30192732810974, 7.3156729740731e-06, 0.0, 0.25, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 1.88988161087036, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 358.010009765625, 0.0, 0.0, 0.0, 34.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 44.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 7.77446889877319, 0.0, 6.33209180831909, 28.0, 283.377380371094, 0.0, 0.0, 0.0, 0.0, 5.36142730712891, 0.0, 8.99627590179443, 0.0, 278.292022705078, 0.0, 0.0, 2.84492707252502, 6.66418409347534, 0.0, 0.678031146526337, 0.0, 322.287811279297, 0.0, 0.0, 2.20404815673828, 0.0, 1.0, 0.111803397536278, , 195.93049621582, 1.52333450317383, 0.0, 0.0, 29.1795787811279, 0.25, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.942809045314789 0.942809045314789, 0.38490018248558 0.38490018248558, 0.0, 1.5 1.5, 0.5 0.5, 0.0, 1.88561809062958 1.88561809062958, 0.0, 0.0, 0.0, 0.513200223445892 0.513200223445892, 0.0, 0.0, 12.0, 6.81155490875244, 0.0, 0.0, 0.0, 6.69421482086182, 4.96632671356201, 0.0, 0.0, 0.0, 0.0, 0.0, 2.93877553939819, 0.0, 4.32192802429199, 0.0, 0.333333343267441, 0.0, 0.0, 1.38271605968475, 4.08907318115234, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.46632647514343, 0.0, 0.0, 0.0, 0.0833333358168602, 2.85758924484253, 0.0, 0.0, 0.0, 0.0, 2.31649661064148, 0.0, 0.0, 0.666666686534882, 1.14011943340302, 0.0, 0.0, 0.0, 0.0, 0.70412415266037, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 271.0, 0.0555555559694767, 0.0, 0.0641500279307365, 90.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 109.0, 0.0, 0.0, 0.16666667163372, 0.0, 0.235702261328697, 0.0, 0.0, 0.0, 11.6786317825317, 8.0, 0.0, 0.0, 8.59655952453613, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 10.0, 0.0, 11.0, 50.0, 575.871765136719, 2.0, 0.0, 0.0, 0.0, 5.61880207061768, 0.0, 14.0, 0.0, 650.17529296875, 0.0, 0.0, 3.40470051765442, 12.0, 0.0, 0.16666667163372, 0.0, 835.183166503906, 0.0, 0.0, 2.34715056419373, 0.0, 6.0, 0.0, , 681.418579101562, 1.65868926048279, 0.0, 0.0277777779847383, 303.666290283203, 1.13290584087372, 0.0, 0.0, 0.0, 0.0, 0.0, 0.756600141525269, 0.0, 0.0, 0.0, 0.0, 0.303561210632324, 0.0, 0.0, 0.153877794742584, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H11N%2Fc1-3-5-4-2%2Fh5H%2C3-4H2%2C1-2H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.12132024765015, 0.0, 0.0, 0.0641189962625504, 5.0, 2.41421365737915, 0.0, 0.0, -0.035101056098938, 0.0, 0.0, 4.0, 0.0, 3.32192802429199, -0.000969520420767367, 0.0, 0.0, 0.0, 4.0, 1.35355341434479, 0.0, 0.0, 0.25, 0.00359972799196839, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 2.30940103530884, 0.000411349086789414, 0.0, 0.353553384542465, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 205.009994506836, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 12.0299997329712, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.35998821258545, 0.0, 4.33237028121948, 14.0, 153.893508911133, 0.0, 0.0, 0.0, 0.0, 3.91421365737915, 0.0, 3.33237051963806, 0.0, 128.948272705078, 0.0, 0.0, 2.12132024765015, 2.0, 0.0, 0.0, 0.0, 93.8138122558594, 0.0, 0.0, 0.95710676908493, 0.0, 1.0, 0.0, , 57.7439041137695, 0.5, 0.0, 0.0, 23.8931541442871, 0.25, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H3Cl2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H, 0.0, 3.53277564048767, , , , , 0.0, 4.0, 2.11262774467468 2.11262774467468, 0.785635828971863 0.785635828971863, , 2.67232036590576 2.67232036590576, 1.00164878368378 1.00164878368378, , 3.43565249443054 3.43565249443054, , 0.0, 0.0, 0.959239423274994 0.959239423274994, 0.0, 0.0, 15.0, 8.43072128295898, 0.0, , 0.278682798147202, 9.09090900421143, 5.14706563949585, 0.0, , -0.0307767856866121, , 0.0, 3.59999990463257, , 4.45943164825439, -0.0865592509508133, 0.867978751659393, 0.0, , 1.9753086566925, 4.55936288833618, , 0.0, 0.0, 0.0183054059743881, 0.0, , , 3.78272390365601, , 0.0, -0.103028550744057, 0.272165536880493, 2.47126626968384, 0.0, 0.0, 0.0, 0.0, 1.70471298694611, 0.0, 0.0, 0.5, 0.922798097133636, , , 0.0, , 0.300789654254913, 2.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 86.0400009155273, 0.020833333954215, 0.0, 0.0669791772961617, 99.0, , 0.0, , , 44.0200004577637, 0.0, 1.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 148.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.205950379371643, , , 0.0, 1.5, 5.0, , , 6.60385465621948, , , , 0.0, , 0.0, , 27.559965133667, , 15.4017524719238, 52.0, 628.995300292969, 0.0, 0.0, , 0.0, 6.81691455841064, , 23.6373195648193, 0.0, 705.429748535156, , 0.0, 3.48580765724182, 29.6674747467041, , 0.466561853885651, 0.0, 919.865051269531, , 0.0, 2.71470260620117, , 25.1841659545898, 0.0, , 806.413208007812, 1.72222471237183, , 0.0731925070285797, 406.621185302734, 1.1171270608902, , 0.0, , 0.0, 0.0, 0.512417256832123, , 1.0, , , 0.259016811847687, 1.0, , 0.0487439334392548, 0.0, 1.0, 0.0, 
-InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H, 0.0, 0.0, , , , , 0.0, 1.0, 0.492799282073975 0.492799282073975, 0.150394827127457 0.150394827127457, , 0.594861328601837 0.594861328601837, 0.14158596098423, , 0.492799282073975 0.492799282073975, , 0.0, 0.0, 0.100263215601444, 0.0, 0.0, 7.0, 5.81999111175537, 0.0, , 0.130902960896492, 6.125, 3.9318516254425, 0.0, , -0.0452884621918201, , 0.0, 3.11111116409302, , 4.0, -0.0154840322211385, 0.20412415266037, , , 1.79999995231628, 2.91228413581848, , , 0.0, -0.00440489780157804, 0.0, , , 2.30209517478943, , 0.0, -0.000266275019384921, 0.0, 1.59538793563843, 0.0, 0.0, 0.0, 0.0, 1.10517168045044, 0.0, 0.0, 0.666666686534882, 0.348461717367172, , , 0.0, , 0.144337564706802, 5.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 140.009994506836, 0.0320750139653683, 0.0, 0.0185185186564922, 60.0, , 0.0, , , 17.0699996948242, 1.0, 1.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 64.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, , , , 7.73231601715088, 5.0, , , 3.96540641784668, , , , 0.0, , 0.0, , 8.77446937561035, , 8.33209228515625, 34.0, 330.808288574219, 0.0, 0.0, , 0.0, 4.37234973907471, , 9.33209228515625, 0.0, 348.501861572266, , , 2.43506097793579, 7.66418409347534, , 0.0962250456213951, 0.0, 390.894561767578, , 0.0, 1.5285347700119, , 3.66418385505676, 0.0, , 269.435028076172, 0.935655236244202, , 0.0, 87.0330123901367, 0.531606316566467, , 0.0, , 0.0, 0.0, 0.301961034536362, , 0.0, , , 0.0632261782884598, 0.0, , 0.0151203069835901, 1.0, , 0.0, 
-InChI%3D1S%2FC6H5Cl2N%2Fc7-5-2-1-4%289%293-6%285%298%2Fh1-3H%2C9H2, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 1.47827804088593 1.47827804088593, 0.840126872062683 0.840126872062683, , 1.55802857875824 1.55802857875824, 0.679434299468994 0.679434299468994, , 2.07593297958374 2.07593297958374, , 0.0, 0.0, 0.749298393726349 0.749298393726349, 0.0, 0.0, 10.0, 6.85337114334106, 0.0, , 0.116955436766148, 7.11111116409302, 4.19837713241577, 0.0, , -0.0211897194385529, , 0.0, 2.72222232818604, , 4.16992521286011, -0.0346855260431767, 0.760079681873322, 0.0, , 1.70414197444916, 3.87279200553894, , 0.0, 0.0, -0.00918141379952431, 0.0, , , 2.86036610603333, , 0.0, -0.014809780754149, 0.16666667163372, 1.81676292419434, 0.0, 0.0, 0.0, 0.0, 1.33160018920898, 0.0, 0.0, 0.666666686534882, 0.504473328590393, , , 0.0, , 0.0680413842201233, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 124.029998779297, 0.0240562614053488, 0.0, 0.0684433579444885, 67.0, , 0.0, , , 26.0200004577637, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 84.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.20412415266037, , , 0.0, 1.65096366405487, 6.0, , , 5.85380077362061, , , , 0.0, , 0.0, , 24.7854957580566, , 13.0696601867676, 42.0, 547.055541992188, 0.0, 0.0, , 0.0, 6.07718801498413, , 20.1393203735352, 0.0, 596.059692382812, , 1.0, 3.1606023311615, 25.8520736694336, , 0.423551887273788, 0.0, 743.233764648438, , 0.0, 2.48794651031494, , 10.5119323730469, 0.0, , 561.13818359375, 1.68268656730652, , 0.107142858207226, 192.442184448242, 0.818912923336029, , 0.0, , 0.0, 0.0, 0.497850179672241, , 0.0, , , 0.164163962006569, 0.0, , 0.0309294778853655, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC4H5N%2Fc1-2-3-4-5%2Fh2H%2C1%2C3H2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.12132024765015, 0.0, 0.0, 0.10608883947134, 5.0, 2.41421365737915, 0.0, 0.0, -0.0167555343359709, 0.0, 0.0, 4.0, 0.0, 3.32192802429199, -0.0390853472054005, 0.0, 0.0, 0.0, 4.0, 1.35355341434479, 0.0, 0.0, 0.0, 0.00180173292756081, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 1.65096366405487, 0.000994729925878346, 0.0, 0.353553384542465, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 61.0099983215332, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 23.7900009155273, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, , 0.0, 0.0, 5.35998821258545, 0.0, 4.16618537902832, 14.0, 128.36474609375, 0.0, 0.0, 0.0, 0.0, 2.93877744674683, 0.0, 3.16618514060974, 0.0, 108.484382629395, 0.0, 0.0, 1.39365673065186, 2.16618514060974, 0.0, 0.0, 0.0, 77.774055480957, 0.0, 0.0, 0.650913178920746, 0.0, 1.16618525981903, 0.0, , 43.5082511901855, 0.2356246560812, 0.0, 0.0, 16.8470191955566, 0.0645497217774391, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC7H5NO3S.Na.H2O%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%3B%3B%2Fh1-4H%2C%28H%2C8%2C9%29%3B%3B1H2%2Fq%3B%2B1%3B%2Fp-1, 0.0, 2.38110160827637, , , , , 0.0, 2.0, 2.80213809013367 2.80213809013367, 0.90332168340683 0.90332168340683, , 4.93283939361572 4.93283939361572, 1.15263330936432, , 6.51542568206787 6.51542568206787, , 0.0, 0.0, 1.02485811710358, 0.0, 0.0, 18.0, 8.76758480072021, 0.0, , 0.342272698879242, 14.0, 5.61099052429199, 0.0, , -0.165229082107544, , 1.0, 4.67999982833862, , 4.80735492706299, 0.158109411597252, 1.54011297225952, , , 2.34319519996643, 5.72479391098022, , , 0.0, -0.26345083117485, 0.20412415266037, , , 4.40215826034546, , 0.0, 0.1000015437603, 0.428855359554291, 3.94350004196167, 0.0, 0.0, 0.0833333358168602, 0.0, 2.81080460548401, 0.0, 0.0, 999.0009765625, 1.36740863323212, , , 0.0, , 0.844240128993988, 4.0, , 0.0, 0.0, 0.0, , , 0.048472922295332, , 0.0, 179.070007324219, 0.1233274564147, 0.0, 0.140227720141411, 230196192.0, , 0.0, , , 77.9400024414062, 0.0, 1.0, 0.999000012874603, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 24999999488.0, 0.0680413842201233, 0.0, 0.383682519197464, 0.0, 0.684640526771545, , , , 3.96540641784668, 5.0, , , 5.55315780639648, , , , 0.0, , 0.0, , 26.2494029998779, , 22.3943252563477, 66.0, 837.535095214844, 0.0, 0.0, , 0.0, 6.44022130966187, , 28.7728691101074, 0.944940805435181, 993.227416992188, , , 3.83028769493103, 26.8850765228271, , 0.492526948451996, 0.0, 1483.70349121094, , 0.0, 3.05806183815002, , 17.5436458587646, 0.0323152802884579, , 1180.51403808594, 2.15004897117615, , 0.10268971323967, 633.00341796875, 1.48133385181427, , 0.0, , 0.00932861771434546, 0.0, 0.846729159355164, , 0.0, , , 0.380066752433777, 0.0, , 0.191283673048019, 1.0, , 0.0, 
-InChI%3D1S%2FC5H10O%2Fc1-3-5%282%294-6%2Fh4-5H%2C3H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.577350258827209 0.577350258827209, 0.331927299499512 0.331927299499512, 0.0, 0.288675129413605 0.288675129413605, 0.0962250456213951 0.0962250456213951, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 4.99156379699707, 0.0, 0.0, 0.130912289023399, 6.0, 2.80806040763855, 0.0, 0.0, -0.0452584512531757, 0.0, 0.0, 3.20000004768372, 0.0, 3.58496260643005, -0.0154173374176025, 0.288675129413605, 0.0, 0.0, 3.0, 1.92166829109192, 0.0, 0.0, 0.333333343267441, -0.00464056432247162, 0.0, 0.0, 0.0, 1.39384686946869, 0.0, 2.14913988113403, -0.000139789131935686, 0.0, 0.288675129413605, 0.0, 1.41421353816986, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 195.009994506836, 0.0, 0.0, 0.0, 29.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 1.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 31.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 1.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 6.77446889877319, 0.0, 5.33209180831909, 20.0, 192.821578979492, 0.0, 1.0, 0.0, 0.0, 4.27005577087402, 0.0, 5.33209180831909, 0.0, 177.770446777344, 0.0, 0.0, 2.26174092292786, 4.66418409347534, 0.0, 0.235702261328697, 0.0, 163.689727783203, 0.0, 0.0, 1.52161490917206, 0.0, 1.33209192752838, 0.0, , 100.033668518066, 0.876258373260498, 0.0, 0.0, 18.7549419403076, 0.0962250456213951, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2F4C4H9.Sn.2H%2Fc4%2A1-3-4-2%3B%3B%3B%2Fh4%2A1%2C3-4H2%2C2H3%3B%3B%3B, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 13.6568546295166, 0.0, 0.0, 0.0, 30.2222213745117, 7.65685415267944, 0.0, 0.0, 0.0, 0.0, 0.0, 56.25, 0.0, 5.08746290206909, 0.0, 0.0, 0.0, 0.0, 196.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2864.01000976562, 0.0, 0.0, 0.0, -1769803776.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 112000000000.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 113.686866760254, 0.0, 12.0, 40.0, 452.716430664062, 0.0, 0.0, 0.0, 0.0, 13.6568546295166, 0.0, 8.0, 0.0, 354.116760253906, 0.0, 0.0, 7.65685415267944, 4.0, 0.0, 0.0, 0.0, 221.602127075195, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, , 92.6454391479492, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H12O4%2Fc1-3-10-6%288%295-7%289%2911-4-2%2Fh3-5H2%2C1-2H3, 4.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.741581618785858 0.741581618785858, 0.142258897423744 0.142258897423744, 0.0, 1.21298611164093 1.21298611164093, 0.173112526535988 0.173112526535988, 0.0, 0.922589004039764 0.922589004039764, 0.0, 0.0, 0.0, 0.0976081639528275 0.0976081639528275, 0.0, 0.25, 10.0, 8.69023418426514, 0.0, 0.0, 0.566212594509125, 11.0, 5.20190715789795, 0.0, 0.0, -0.290453940629959, 0.0, 2.0, 6.69421482086182, 0.0, 4.45943164825439, 0.0839902088046074, 0.577350258827209, 0.0, 0.0, 6.40000009536743, 4.02339601516724, 0.0, 0.0, 0.125, -0.320293962955475, 0.0, 0.0, 0.0, 2.36768674850464, 0.0, 1.97590124607086, 0.400587230920792, 0.0, 1.90818750858307, 0.0, 1.03279554843903, 0.0, 3.0, 0.638071179389954, 0.0, 0.0, 1.0, 0.461294502019882, 0.0, 0.0, 0.0, 2.0, 0.117851130664349, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 374.040008544922, 0.0, 0.0, 0.0, 118.0, 0.0, 0.0, 0.0, 0.0, 52.5999984741211, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 184.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.793700516223907, 1.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 2.0, 14.0978765487671, 0.0, 11.9925518035889, 42.0, 339.465759277344, 0.0, 0.0, 0.0, 0.0, 6.75431346893311, 0.0, 14.5414896011353, 0.25, 334.060577392578, 0.0, 0.0, 3.51516723632812, 11.9925518035889, 0.0, 0.117851130664349, 1.41421353816986, 353.468536376953, 0.0, 0.0, 1.78681898117065, 0.0, 13.7620601654053, 0.0, , 310.671905517578, 0.899325549602509, 0.0, 0.0, 275.556518554688, 0.541888475418091, 0.0, 2.0, 0.0, 0.0, 0.0, 0.185395404696465, 0.0, 0.0, 0.0, 0.0, 0.0980647280812263, 0.0, 0.0, 0.0294627826660872, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3%2B, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 5.5355339050293, 0.0, 0.0, 0.0898816660046577, 7.0, 3.41421365737915, 0.0, 0.0, -0.0312512777745724, 0.0, 0.0, 6.0, 0.0, 3.80735492706299, -0.0216246005147696, 0.0, 0.0, 0.0, 6.0, 2.06066012382507, 0.0, 0.0, 0.0, 0.00188035704195499, 0.0, 0.0, 0.0, 1.20710682868958, 0.0, 1.91925978660583, 0.0119093786925077, 0.0, 0.676776707172394, 0.0, 0.0, 0.0, 3.0, 0.353553384542465, 0.0, 0.0, 1.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 282.010009765625, 0.0, 0.0, 0.0, 54.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 2.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 56.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 5.67623996734619, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.77446889877319, 0.0, 6.33209180831909, 22.0, 251.791549682617, 0.0, 0.0, 0.0, 0.0, 4.7232346534729, 0.0, 5.33209180831909, 0.0, 227.925369262695, 0.0, 0.0, 2.67316436767578, 4.33209180831909, 0.0, 0.0, 0.0, 188.574081420898, 0.0, 0.0, 1.39193475246429, 0.0, 3.33209204673767, 0.0, , 142.990936279297, 0.698135018348694, 0.0, 0.0, 96.9955673217773, 0.359053403139114, 0.0, 1.0, 0.0, 0.0, 0.0, 0.170555755496025, 1.0, 0.0, 0.0, 0.0, 0.0527046285569668, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H8O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-6H%2C1H3, 1.0, 1.0, , , , , 0.0, 1.0, 1.04044008255005 1.04044008255005, 0.331430196762085 0.331430196762085, , 1.05473780632019 1.05473780632019, 0.286883473396301 0.286883473396301, , 1.04044008255005 1.04044008255005, , 0.0, 0.0, 0.220953464508057 0.220953464508057, 0.0, 0.0, 9.0, 6.69023466110229, 0.0, , 0.120088458061218, 7.11111116409302, 4.30453062057495, 0.0, , -0.0241301916539669, , 1.0, 3.23966932296753, , 4.16992521286011, -0.032451655715704, 0.5, , , 2.0, 3.6421070098877, , 0.0, 0.0, -0.00325007876381278, 0.0, , , 2.59263896942139, , 1.34123075008392, -0.000205962220206857, 0.16666667163372, 1.80083346366882, 0.0, 1.41421353816986, 0.0, 0.0, 1.25044357776642, 0.0, 0.0, 0.666666686534882, 0.451184451580048, , , 0.0, , 0.235702261328697, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 217.009994506836, 0.0320750139653683, 0.0, 0.0160375069826841, 69.0, , 0.0, , , 17.0699996948242, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 88.0, 0.0, 0.0, 0.102062076330185, 1.0, 0.0589255653321743, , , , 6.08364343643188, 5.0, , , 4.74510288238525, , , , 0.0, , 0.0, , 9.77446937561035, , 9.33209228515625, 40.0, 408.408355712891, 0.0, 0.0, , 0.0, 5.29499959945679, , 11.6641836166382, 0.0, 435.373321533203, , 0.0, 2.86480784416199, 9.66418361663818, , 0.185395404696465, 0.0, 515.23486328125, , 0.0, 1.92221164703369, , 5.66418409347534, 0.0, , 393.022552490234, 1.18031537532806, , 0.0340206921100616, 181.392028808594, 0.67286092042923, , 1.0, , 0.0, 0.0, 0.383514404296875, , 0.0, , , 0.110311031341553, 0.0, , 0.0451695844531059, 0.0, , 0.0, 
-InChI%3D1S%2FC6H2F5N%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H2, 0.0, 9.12546539306641, , , , , 0.0, 6.0, 3.64273452758789 3.64273452758789, 0.560362696647644 0.560362696647644, , 4.97606754302979 4.97606754302979, 0.534441113471985 0.534441113471985, , 7.01965713500977 7.01965713500977, 0.0, 0.0, 0.0, 0.540015280246735 0.540015280246735, 0.0, 0.0, 21.0, 9.46410179138184, 0.0, 0.0, 0.566449224948883, 10.0833330154419, 5.46410179138184, 0.0, , -0.00503523182123899, , 0.0, 3.3950617313385, , 4.58496236801147, -0.277685284614563, 1.15470051765442, 0.0, , 1.5625, 5.154700756073, , 0.0, 0.0, -0.138074457645416, 0.0, , , 4.97606754302979, , 0.0, -1.44354216899956e-05, 0.666666686534882, 2.87293410301208, 0.0, 0.0, 0.0, 0.0, 1.65868926048279, 0.0, 0.0, 0.25, 0.829344630241394, 5.0, , 0.0, 0.0, 0.222222223877907, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 64.0599975585938, 0.015625, 0.0, 0.0385495722293854, 102.0, , 0.0, , , 26.0200004577637, 0.0, 0.0, 0.200000002980232, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , , 174.0, 0.0, 0.0, 0.0370370373129845, 0.0, 0.222222223877907, , 0.0, 0.0, 0.0, 6.0, 0.0, , 0.0, , 0.0, , 0.0, , 0.0, 0.0, 19.8702087402344, , 15.0751104354858, 60.0, 362.83056640625, 0.0, 0.0, 0.0, 0.0, 5.46717262268066, , 24.1502208709717, 0.0, 420.418487548828, , 1.0, 2.73358631134033, 34.8477058410645, , 0.308396577835083, 0.0, 583.166259765625, , 0.0, 1.98358631134033, , 22.7725963592529, 0.0, , 559.621826171875, 1.24375927448273, , 0.0629915222525597, 268.025238037109, 0.621879637241364, , 0.0, , 0.0, 0.0, 0.310939818620682, 0.0, 0.0, , 0.0, 0.108594909310341, 0.0, , 0.0157478805631399, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H, 0.0, 0.0, , , , , 0.0, 1.0, 0.40824830532074 0.40824830532074, 0.086066298186779 0.086066298186779, , 0.433012694120407 0.433012694120407, 0.0745356008410454 0.0745356008410454, , 0.40824830532074 0.40824830532074, , 0.0, 0.0, 0.0573775321245193 0.0573775321245193, 0.0, 0.0, 5.0, 5.11288404464722, 0.0, , 0.0754449218511581, 5.14285707473755, 3.3938467502594, 0.0, , -0.023737970739603, , 0.0, 2.34375, , 3.80735492706299, -0.0129378978163004, 0.288675129413605, , , 1.5, 2.74318218231201, , 0.0, 0.0, -0.00100534723605961, 0.0, , , 1.89384686946869, , 0.0, -4.12444060202688e-05, 0.0, 1.30671286582947, 0.0, 0.0, 0.0, 0.0, 0.901047587394714, 0.0, 0.0, 0.333333343267441, 0.20412415266037, , , 0.0, , 0.0, 5.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 127.01000213623, 0.0320750139653683, 0.0, 0.0143443830311298, 45.0, , 0.0, , , 20.2299995422363, 0.0, 0.0, 0.25, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 42.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.102062076330185, , , , 6.08364343643188, 6.0, , , 3.04182171821594, , , , 0.0, , 0.0, , 7.77446889877319, , 7.33209180831909, 30.0, 270.770050048828, 0.0, 0.0, , 0.0, 3.83396482467651, , 8.66418361663818, 0.0, 280.435668945312, , 0.0, 2.13429045677185, 5.66418409347534, , 0.0745356008410454, 0.0, 309.035888671875, , 0.0, 1.33554911613464, , 1.33209192752838, 0.0, , 183.180419921875, 0.756193578243256, , 0.0, 28.9534301757812, 0.427994102239609, , 0.0, , 0.0, 0.0, 0.242140486836433, , 0.0, , , 0.0286887660622597, 0.0, , 0.0, 0.0, , 0.0, 
-InChI%3D1S%2FC9H10O2%2Fc1-2-11-9-5-3-8%287-10%294-6-9%2Fh3-7H%2C2H2%2C1H3, 2.0, 0.333333343267441, , , , , 0.0, 2.0, 0.925812005996704 0.925812005996704, 0.277074754238129 0.277074754238129, , 1.17459428310394 1.17459428310394, 0.298623740673065 0.298623740673065, , 1.19574868679047 1.19574868679047, , 0.0, 0.0, 0.260885655879974, 0.0, 0.0, 12.0, 8.10444831848145, 0.0, , 0.294651538133621, 9.09090900421143, 5.36370325088501, 0.0, , -0.12394306063652, , 0.0, 4.79289960861206, , 4.45943164825439, -0.0249644182622433, 0.40824830532074, , , 2.84444451332092, 4.08367490768433, , , 0.0, 0.0196694675832987, 0.0, , , 3.24060010910034, , 1.59817707538605, -0.0119882859289646, 0.0, 2.33665585517883, 0.0, 0.471404522657394, 0.0, 1.0, 1.69104409217834, 0.0, 0.0, 1.0, 0.971404492855072, , , 0.0, , 0.554737865924835, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 331.019989013672, 0.0277777779847383, 0.0, 0.027377737686038, 125.0, , 0.0, , , 26.2999992370605, 1.0, 1.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 170.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.117851130664349, , , , 5.92675113677979, 5.0, , , 7.00378656387329, , , , 0.0, , 0.0, , 12.5489377975464, , 11.9962759017944, 48.0, 487.621490478516, 0.0, 0.0, , 0.0, 6.41035461425781, , 14.3283681869507, 0.0, 523.408508300781, , 0.0, 3.54565072059631, 13.3283681869507, , 0.164266422390938, 0.16666667163372, 625.609985351562, , 0.0, 2.11989951133728, , 8.99627590179443, 0.0, , 530.844543457031, 1.32718670368195, , 0.0, 312.119781494141, 0.809286773204803, , 1.0, , 0.0, 0.0, 0.484410911798477, , 0.0, , , 0.197141528129578, 0.0, , 0.0960278660058975, 1.0, , 0.0, 
-InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-1-2-5%287%2810%2911%296%289%293-4%2Fh1-3H%2C%28H2%2C10%2C11%29, 0.0, 3.14734530448914, , , , , 0.0, 3.0, 1.83847367763519 1.83847367763519, 0.755504608154297 0.755504608154297, , 2.72335362434387 2.72335362434387, 0.959639012813568 0.959639012813568, , 2.77096581459045 2.77096581459045, , 0.0, 0.0, 0.873608350753784 0.873608350753784, 0.0, 0.0, 14.0, 8.43072128295898, 0.0, , 0.180708363652229, 9.09090900421143, 5.10906076431274, 0.0, , -0.0550653375685215, , 1.0, 3.59999990463257, , 4.45943164825439, 0.0128718540072441, 0.993793487548828, 0.0, , 2.21453285217285, 4.80337953567505, , 0.0, 0.0, -0.0866542011499405, 0.0, , , 3.35415959358215, , 0.0, 0.0582665838301182, 0.232307806611061, 2.6792049407959, 0.0, 0.0, 0.0, 0.0, 1.46274888515472, 0.0, 0.0, 1.0, 1.04373681545258, , , 0.0, , 0.196418553590775, 3.0, , 0.0, 0.0, 0.0, 1.0, , 0.0, , 0.0, 146.039993286133, 0.0240562614053488, 0.0, 0.0665826052427292, 95.0, , 0.0, , , 44.0800018310547, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 150.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.175366476178169, , 0.0, 0.0, 1.65096366405487, 5.0, , , 6.83080291748047, , , , 0.0, , 0.0, , 27.559965133667, , 15.4017524719238, 52.0, 667.420104980469, 0.0, 0.0, , 0.0, 6.94705104827881, , 23.8586921691895, 0.0, 742.136169433594, , 0.0, 3.59553408622742, 24.755241394043, , 0.48071613907814, 0.0, 956.652099609375, , 0.0, 2.81641101837158, , 27.9870414733887, 0.0, , 825.273681640625, 1.73405861854553, , 0.0633829906582832, 465.261535644531, 1.17951917648315, , 0.0, , 0.0, 0.0, 0.547326564788818, , 0.0, , , 0.312764346599579, 0.0, , 0.0364250354468822, 1.0, 0.0, 0.0, 
-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, 3.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 1.44017744064331 1.44017744064331, 0.884945034980774 0.884945034980774, 0.0, 2.34362530708313 2.34362530708313, 1.27092337608337 1.27092337608337, 0.0, 2.53313016891479 2.53313016891479, 0.0, 0.0, 0.0, 1.09084379673004 1.09084379673004, 0.0, 0.0, 14.0, 12.8889055252075, 0.0, 0.0, 0.426204115152359, 15.0588235855103, 7.87700986862183, 0.0, 0.0, -0.297101676464081, 0.0, 0.0, 6.80529308319092, 0.0, 5.08746290206909, 0.0765573084354401, 2.53845167160034, 0.0, 0.0, 6.47933864593506, 7.97013235092163, 0.0, 0.0, 0.0, -0.0230585914105177, 0.5, 0.0, 0.0, 4.18315410614014, 0.0, 1.91751575469971, 0.0730732455849648, 0.164266422390938, 3.43675971031189, 0.0, 0.816496610641479, 0.0, 3.0, 2.25152254104614, 0.0, 0.0, 999.0009765625, 1.156653881073, 0.0, 0.0, 0.0, 2.0, 0.782657027244568, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0912870913743973, 0.0, 0.0, 817.070007324219, 0.161775842308998, 0.0, 0.112692557275295, -359738400.0, 0.0, 0.0, 0.0, 0.0, 99.1100006103516, 0.0, 1.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 60000002048.0, 0.117851130664349, 0.0, 0.287954598665237, 0.0, 0.223191991448402, 0.0, 1.0, 0.0, 7.57547664642334, 5.0, 0.0, 0.0, 6.88320255279541, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 26.9456043243408, 0.0, 28.0565242767334, 80.0, 862.743591308594, 0.0, 1.0, 0.0, 0.0, 9.9805326461792, 0.0, 28.4777412414551, 3.0, 942.258361816406, 0.0, 0.0, 5.96253728866577, 14.664740562439, 0.0, 0.640945911407471, 0.0, 1236.60266113281, 0.0, 0.0, 4.37618064880371, 0.0, 11.6923589706421, 0.0289036650210619, , 838.106506347656, 2.58962941169739, 0.0, 0.0949787497520447, 605.080078125, 1.90448749065399, 0.0, 1.0, 0.0, 0.0, 0.0, 0.99455863237381, 2.0, 0.0, 0.0, 0.0, 0.460217505693436, 0.0, 0.0, 0.259502291679382, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H5NO3%2Fc8-6-3-1-5%282-4-6%297%289%2910%2Fh1-4%2C8H, 0.0, 0.333333343267441, , , , , 0.0, 2.0, 1.44868838787079 1.44868838787079, 0.276023805141449 0.276023805141449, , 1.40419375896454 1.40419375896454, 0.230874732136726 0.230874732136726, , 1.49826681613922 1.49826681613922, , 0.0, 0.0, 0.199774220585823 0.199774220585823, 0.0, 0.0, 11.0, 7.56047773361206, 0.0, , 0.141451075673103, 8.10000038146973, 4.69837713241577, 0.0, , -0.0131359752267599, , 0.0, 3.40828394889832, , 4.32192802429199, -0.0162784922868013, 0.788675129413605, , , 2.28571438789368, 4.26396894454956, , 0.0, 0.0, -0.00189536728430539, 0.0, , , 3.00332260131836, , 0.0, -0.0511598810553551, 0.16666667163372, 1.95252978801727, 0.0, 0.0, 0.0, 0.0, 1.44913530349731, 0.0, 0.0, 1.0, 0.919957399368286, , , 0.0, , 0.19245009124279, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 135.039993286133, 0.0277777779847383, 0.0, 0.0248451996594667, 88.0, , 0.0, , , 66.0500030517578, 0.0, 0.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 120.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, , , , 3.30192732810974, 6.0, , , 5.65685415267944, , , , 0.0, , 0.0, , 12.6833953857422, , 11.6052093505859, 46.0, 365.423767089844, 0.0, 0.0, , 0.0, 5.02032470703125, , 15.4352073669434, 0.721124768257141, 399.888641357422, , 0.0, 2.63372921943665, 13.3249225616455, , 0.186338990926743, 0.0, 491.731048583984, , 0.0, 1.77350759506226, , 7.8266453742981, 0.0, , 380.137878417969, 1.06052780151367, , 0.0124225998297334, 167.102127075195, 0.574348509311676, , 0.0, , 0.0, 0.0, 0.346924364566803, , 0.0, , , 0.112043373286724, 0.0, , 0.0202860198915005, 0.0, , 0.0, 
-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, 4.0, 0.200000002980232, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.816496610641479 0.816496610641479, 0.16666667163372 0.16666667163372, 0.0, 0.866025388240814 0.866025388240814, 0.176776692271233 0.176776692271233, 0.0, 0.816496610641479 0.816496610641479, 0.0, 0.0, 0.0, 0.16666667163372 0.16666667163372, 0.0, 0.142857149243355, 17.0, 13.6399822235107, 0.0, 0.0, 0.536570012569427, 18.0, 8.70190715789795, 0.0, 0.0, -0.333994030952454, 0.0, 2.0, 13.4320983886719, 0.0, 5.16992521286011, 0.121945731341839, 0.577350258827209, 0.0, 0.0, 13.2871971130371, 6.48636436462402, 0.0, 0.0, 0.0666666701436043, -0.032109722495079, 0.0, 0.0, 0.0, 4.24480056762695, 0.0, 3.47721409797668, 0.0332669951021671, 0.0, 2.75987219810486, 0.0, 0.565685451030731, 0.0, 10.0, 1.76585531234741, 0.0, 0.0, 0.875, 1.21032977104187, 0.0, 0.0, 0.0, 2.0, 0.674646198749542, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1543.0400390625, 0.0, 0.0, 0.0, 380.0, 0.0, 0.0, 0.0, 0.0, 52.5999984741211, 0.0, 0.0, 0.466666668653488, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 859.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.4985466003418, 8.0, 0.0, 0.0, 5.6851863861084, 0.0, 0.0, 0.0, 0.0, , 0.0, 2.0, 21.0978755950928, 0.0, 18.9925518035889, 70.0, 734.391906738281, 0.0, 0.0, 0.0, 0.0, 11.7040605545044, 0.0, 21.5414905548096, 0.142857149243355, 728.161254882812, 0.0, 0.0, 7.01516723632812, 19.6567363739014, 0.0, 0.117851130664349, 1.06904494762421, 748.130004882812, 0.0, 0.0, 4.35515403747559, 0.0, 18.6567363739014, 0.0, , 705.587524414062, 2.53368306159973, 0.0, 0.0, 661.895568847656, 1.3436963558197, 0.0, 2.0, 0.0, 0.0, 0.0, 0.776073515415192, 0.0, 0.0, 0.0, 0.0, 0.479556053876877, 0.0, 0.0, 0.251981914043427, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H10O%2Fc1-2-5-8-6-3-4-7-9%288%2910%2Fh2-4%2C6-7%2C10H%2C1%2C5H2, 0.0, 1.0, , , , , 0.0, 2.0, 1.02022004127502 1.02022004127502, 0.342599391937256 0.342599391937256, , 1.35947573184967 1.35947573184967, 0.38172909617424 0.38172909617424, , 1.58925569057465 1.58925569057465, , 0.0, 0.0, 0.344208955764771 0.344208955764771, 0.0, 0.0, 11.0, 7.39734125137329, 0.0, , 0.0771749913692474, 8.10000038146973, 4.8425350189209, 0.0, , -0.023088525980711, , 0.0, 4.0, , 4.32192802429199, -0.00986007321625948, 0.402368932962418, , , 2.28571438789368, 3.81049561500549, , 0.0, 0.0, -0.0107394913211465, 0.0, , , 2.94858479499817, , 1.84057867527008, 0.00423500221222639, 0.117851130664349, 2.19270539283752, 0.0, 0.577350258827209, 0.0, 1.0, 1.5618349313736, 0.0, 0.0, 1.0, 0.601007580757141, , , 0.0, , 0.27335324883461, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 310.010009765625, 0.0277777779847383, 0.0, 0.0320644564926624, 90.0, , 0.0, , , 20.2299995422363, 1.0, 1.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 121.0, 0.0, 0.0, 0.0833333358168602, 1.0, 0.142258897423744, , , , 6.63197565078735, 6.0, , , 6.4474196434021, , , , 1.0, , 0.0, , 10.7744693756104, , 10.3320922851562, 44.0, 500.467834472656, 0.0, 0.0, , 0.0, 5.74817848205566, , 12.6641836166382, 0.0, 534.588684082031, , 0.0, 3.22100710868835, 11.9962759017944, , 0.166611790657043, 0.0, 637.192199707031, , 0.0, 2.12151169776917, , 7.66418409347534, 0.0, , 541.065551757812, 1.35586738586426, , 0.0263523142784834, 300.1474609375, 0.838941693305969, , 0.0, , 0.0, 0.0, 0.481691300868988, , 0.0, , , 0.1582852602005, 0.0, , 0.0613909624516964, 1.0, , 0.0, 
-InChI%3D1S%2FC7H5BrO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 1.4182003736496 1.4182003736496, 0.625516712665558 0.625516712665558, , 1.83720648288727 1.83720648288727, 0.689043164253235 0.689043164253235, , 2.34755921363831 2.34755921363831, , 0.0, 0.0, 0.780669569969177, 0.0, 0.0, 12.0, 7.56047773361206, 0.0, , 0.241023153066635, 8.10000038146973, 4.73638200759888, 0.0, , -0.0585552975535393, , 0.0, 3.40828394889832, , 4.32192802429199, -0.000503496499732137, 0.6910440325737, , , 1.99111115932465, 4.06383609771729, , , 0.0, -0.0858933553099632, 0.0, , , 3.14904141426086, , 0.0, -0.0371994413435459, 0.117851130664349, 2.21913194656372, 0.0, 0.0, 0.0, 0.0, 1.67126762866974, 0.0, 0.0, 0.666666686534882, 0.587806642055511, , , 0.0, , 0.212378948926926, 3.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 135.029998779297, 0.0240562614053488, 0.0, 0.0718927383422852, 80.0, , 0.0, , , 37.2999992370605, 1.0, 1.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 115.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.184195280075073, , , , 2.62074136734009, 5.0, , , 7.48569059371948, , , , 0.0, , 0.0, , 54.8070297241211, , 16.3168601989746, 46.0, 563.718017578125, 0.0, 0.0, , 0.0, 6.62882375717163, , 25.3016262054443, 0.25, 617.113403320312, , 0.0, 3.46799850463867, 24.9658107757568, , 0.475209891796112, 0.0, 767.8984375, , 0.0, 2.73666429519653, , 20.0760955810547, 0.0, , 623.418884277344, 1.60979604721069, , 0.0215165745466948, 294.087585449219, 0.998562455177307, , 0.0, , 0.0, 0.0, 0.642663598060608, , 0.0, , , 0.212192192673683, 0.0, , 0.036839447915554, 1.0, , 0.0, 
-InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3-, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 5.5355339050293, 0.0, 0.0, 0.0898816660046577, 7.0, 3.41421365737915, 0.0, 0.0, -0.0312512777745724, 0.0, 0.0, 6.0, 0.0, 3.80735492706299, -0.0216246005147696, 0.0, 0.0, 0.0, 6.0, 2.06066012382507, 0.0, 0.0, 0.0, 0.00188035704195499, 0.0, 0.0, 0.0, 1.20710682868958, 0.0, 1.91925978660583, 0.0119093786925077, 0.0, 0.676776707172394, 0.0, 0.0, 0.0, 3.0, 0.353553384542465, 0.0, 0.0, 1.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 282.010009765625, 0.0, 0.0, 0.0, 54.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 2.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 56.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 5.67623996734619, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.77446889877319, 0.0, 6.33209180831909, 22.0, 251.791549682617, 0.0, 0.0, 0.0, 0.0, 4.7232346534729, 0.0, 5.33209180831909, 0.0, 227.925369262695, 0.0, 0.0, 2.67316436767578, 4.33209180831909, 0.0, 0.0, 0.0, 188.574081420898, 0.0, 0.0, 1.39193475246429, 0.0, 3.33209204673767, 0.0, , 142.990936279297, 0.698135018348694, 0.0, 0.0, 96.9955673217773, 0.359053403139114, 0.0, 1.0, 0.0, 0.0, 0.0, 0.170555755496025, 1.0, 0.0, 0.0, 0.0, 0.0527046285569668, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H2ClN%2Fc3-1-2-4%2Fh1H2, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 1.0, 3.41421365737915, 0.0, 0.0, 0.172033786773682, 4.0, 1.91421353816986, 0.0, 0.0, -0.0367455296218395, 0.0, 0.0, 3.0, 0.0, 3.0, -0.0858949795365334, 0.0, 0.0, 0.0, 4.0, 1.0, 0.0, 0.0, 0.0, 0.0366236157715321, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.0200004577637, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.0, 0.0, 23.7900009155273, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 12.0727415084839, 0.0, 5.11792278289795, 10.0, 90.679801940918, 0.0, 0.0, 0.0, 0.0, 2.7882137298584, 0.0, 4.11792278289795, 0.0, 71.6911315917969, 0.0, 0.0, 1.3789439201355, 3.44227266311646, 0.0, 0.0, 0.0, 42.3482208251953, 0.0, 0.0, 0.559005737304688, 0.0, 0.0, 0.0, , 15.9944143295288, 0.179284289479256, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC11H15NO3%2Fc1-8%282%2914-9-6-4-5-7-10%289%2915-11%2813%2912-3%2Fh4-8H%2C1-3H3%2C%28H%2C12%2C13%29, 2.0, 2.52506470680237, , , , , 0.0, 2.0, 1.59060096740723 1.59060096740723, 0.426767140626907 0.426767140626907, , 2.25120639801025 2.25120639801025, 0.534531712532043 0.534531712532043, , 3.15562224388123 3.15562224388123, , 0.0, 0.0, 0.584307789802551 0.584307789802551, 0.0, 0.333333343267441, 18.0, 11.2591485977173, 0.0, , 0.46699532866478, 13.0666666030884, 7.13022899627686, 0.0, , -0.338857740163803, , 1.0, 6.55401659011841, , 4.90689039230347, 0.122897125780582, 1.03025674819946, 0.0, , 4.57142877578735, 6.18328762054443, , 0.0, 0.595275402069092, 0.0457232184708118, 0.0, , , 4.24269247055054, , 2.27924919128418, -0.160570949316025, 0.0833333358168602, 3.19405055046082, 0.0, 3.67871379852295, 0.0, 0.0, 2.59349179267883, 0.0, 0.0, 1.0, 1.43630719184875, , , 0.0, , 0.910551369190216, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 690.039978027344, 0.0277777779847383, 0.0, 0.0226804614067078, 181.0, , 0.0, , , 51.0499992370605, 0.0, 0.0, 0.5, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.0, 0.0, , , 384.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.117851130664349, , 0.0, 0.0, 3.96540641784668, 7.0, , , 5.91147565841675, , 0.0, , 0.0, , 0.0, , 17.6833953857422, , 16.9928302764893, 68.0, 714.447998046875, 0.0, 1.0, , 0.0, 9.09767532348633, , 22.8739528656006, 0.0, 777.054504394531, , 0.0, 4.72455263137817, 21.2652988433838, , 0.394378215074539, 0.63245552778244, 975.557006835938, , 0.0, 3.22158408164978, , 19.3249225616455, 0.0, , 925.726928710938, 1.60436177253723, , 0.0138888889923692, 807.041687011719, 1.02977311611176, , 3.0, , 0.0, 0.0, 0.661624610424042, , 0.0, , , 0.280906409025192, 0.0, , 0.140148222446442, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC9H9N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh1-3H%2C7-9H2, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.433012694120407 0.433012694120407, 0.237170830368996 0.237170830368996, 0.0, 0.739198923110962 0.739198923110962, 0.255516052246094 0.255516052246094, 0.0, 0.61237245798111 0.61237245798111, 0.0, 0.0, 0.0, 0.136930644512177 0.136930644512177, 0.0, 0.0, 9.0, 7.81999111175537, 0.0, 0.0, 0.137965649366379, 10.0, 4.84606504440308, 3.0, 0.0, -0.134289294481277, 0.0, 0.0, 7.11111116409302, 0.0, 4.32192802429199, 0.106705017387867, 0.20412415266037, 0.0, 0.0, 5.53086423873901, 3.23205089569092, 0.0, 0.0, 0.5, -0.0455887913703918, 0.0, 0.0, 0.0, 2.09077024459839, 0.0, 5.90777826309204, -0.000863379798829556, 0.0, 1.65775752067566, 0.0, 0.0, 0.0, 3.0, 0.866025388240814, 0.0, 0.0, 1.0, 0.433012694120407, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 234.009994506836, 0.0, 0.0, 0.0, 81.0, 0.0, 0.0, 0.0, 0.0, 3.24000000953674, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 138.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.37712240219116, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 10.3599882125854, 0.0, 9.49855613708496, 36.0, 405.862365722656, 0.0, 0.0, 0.0, 0.0, 5.80058479309082, 0.0, 9.49855613708496, 0.0, 402.781585693359, 0.0, 0.0, 2.87536883354187, 9.49855613708496, 0.0, 0.15811388194561, 0.0, 417.742858886719, 0.0, 0.0, 1.75753450393677, 0.0, 9.0, 0.0, , 381.503784179688, 0.944681644439697, 0.0, 0.0, 309.803619384766, 0.55500340461731, 0.0, 0.0, 0.0, 0.0, 0.0, 0.193649172782898, 0.0, 3.0, 0.0, 0.0, 0.0559016987681389, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.70710682868958 1.70710682868958, 0.626202881336212 0.626202881336212, 0.0, 1.0 1.0, 0.272406101226807 0.272406101226807, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 6.0, 5.91421365737915, 0.0, 0.0, 0.0844352319836617, 7.0, 3.12132024765015, 1.0, 0.0, -0.0301410686224699, 0.0, 0.0, 2.34375, 0.0, 3.80735492706299, -0.0126671520993114, 1.20710682868958, 0.0, 0.0, 2.66666674613953, 2.87132024765015, 0.0, 0.0, 0.908560276031494, 0.000635935924947262, 0.25, 0.0, 0.0, 1.91421353816986, 0.0, 3.30192732810974, -4.53322791145183e-05, 0.0, 0.25, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.88988161087036, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 214.009994506836, 0.0, 0.0, 0.0, 34.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 44.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 7.77446889877319, 0.0, 6.33209180831909, 28.0, 256.9697265625, 0.0, 0.0, 0.0, 0.0, 4.73167085647583, 0.0, 8.99627590179443, 0.0, 253.423736572266, 0.0, 0.0, 2.32294201850891, 6.66418409347534, 0.0, 0.525750935077667, 0.0, 292.965393066406, 0.0, 0.0, 1.77174508571625, 0.0, 1.0, 0.079056940972805, , 174.417388916016, 0.999393343925476, 0.0, 0.0, 24.9295864105225, 0.102062076330185, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H5ClN2O2%2Fc7-5-3-4%289%2810%2911%291-2-6%285%298%2Fh1-3H%2C8H2, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 2.12630128860474 2.12630128860474, 0.645722270011902 0.645722270011902, , 2.02068448066711 2.02068448066711, 0.556003272533417 0.556003272533417, , 2.72215032577515 2.72215032577515, , 0.0, 0.0, 0.587847352027893 0.587847352027893, 0.0, 0.0, 14.0, 8.43072128295898, 0.200000002980232, , 0.141901046037674, 9.09090900421143, 5.10906076431274, 0.0, , 0.00104137428570539, , 0.0, 3.59999990463257, , 4.45943164825439, -0.0309521444141865, 0.971404492855072, 0.0, , 2.21453285217285, 4.7717170715332, , 0.0, 0.0, -0.0143632087856531, 0.0, , , 3.58154726028442, , 0.0, -0.0694956034421921, 0.333333343267441, 2.19468545913696, 0.0, 0.0, 0.0, 0.0, 1.74405467510223, 0.0, 0.0, 1.0, 0.978095650672913, , , 0.0, , 0.336287319660187, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 146.050003051758, 0.0240562614053488, 0.0, 0.0519244112074375, 99.0, , 0.0, , , 71.8399963378906, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 152.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.175366476178169, , 0.0, 0.0, 1.65096366405487, 6.0, , , 5.85380077362061, , , , 0.0, , 0.0, , 20.98166847229, , 14.3910398483276, 52.0, 527.329528808594, 0.0, 0.0, , 0.0, 6.20700454711914, , 21.0068683624268, 0.5, 586.346557617188, , 1.0, 3.18241095542908, 22.3388557434082, , 0.358800143003464, 0.0, 752.506042480469, , 0.0, 2.37012577056885, , 14.0547485351562, 0.0, , 629.526062011719, 1.52217960357666, , 0.0669770687818527, 300.232696533203, 0.804396867752075, , 0.0, , 0.0, 0.0, 0.491932690143585, , 0.0, , , 0.188189432024956, 0.0, , 0.0505683682858944, 0.0, 0.0, 0.0, 
-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, 2.0, 2.67269611358643, 0.0, 0.0, 0.0, 0.0, 3.03934264183044, 0.0, 3.80339860916138 3.80339860916138, 1.64073133468628 1.64073133468628, 0.0, 7.1724853515625 7.1724853515625, 2.16964840888977 2.16964840888977, 0.0, 8.82788944244385 8.82788944244385, 0.0, 0.0, 0.0, 2.17092943191528 2.17092943191528, 0.0, 0.0, 30.0, 13.0520420074463, 0.0, 0.0, 0.486093074083328, 18.0, 7.98443508148193, 0.0, 0.0, -0.320739209651947, 0.0, 3.0, 7.55555534362793, 0.0, 5.16992521286011, 0.322858929634094, 1.35082602500916, 0.0, 0.0, 3.52617073059082, 6.93076658248901, 0.0, 0.0, 0.577757060527802, -0.462005227804184, 0.0680413842201233, 0.0, 0.0, 5.66903686523438, 0.0, 4.24663543701172, 0.231220871210098, 0.70412415266037, 5.07322406768799, 0.0, 3.15771293640137, 0.144337564706802, 3.0, 2.9848895072937, 0.0, 1.04004192352295, 999.0009765625, 1.8570864200592, 0.0, 0.0, 0.0, 1.0, 0.72409725189209, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 850.059997558594, 0.0125000001862645, 0.0, 0.0267489869147539, -359738400.0, 0.0, 0.0, 0.0, 0.0, 85.0800018310547, 1.0, 1.0, 0.999000012874603, 0.0, 0.5, 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 17000000512.0, 0.0, 0.0, 0.0481125228106976, 1.0, 0.206136032938957, 0.0, 0.0, 0.0, 2.40685200691223, 3.0, 0.0, 0.0, 5.3810887336731, 0.0, 0.0, 0.0, 1.0, , 2.14913988113403, 0.0, 23.7071685791016, 0.0, 18.6610164642334, 82.0, 1055.51342773438, 0.0, 1.0, 0.0, 0.0, 9.73301696777344, 0.0, 27.570405960083, 0.75, 1219.2236328125, 0.0, 0.0, 5.47358846664429, 34.3180313110352, 0.0, 0.659630239009857, 0.0, 1722.32165527344, 0.0, 0.0, 4.09546566009521, 0.0, 36.7520942687988, 0.0510310381650925, , 1936.02697753906, 2.980877161026, 0.0, 0.247892439365387, 1564.65380859375, 1.98870313167572, 0.0, 2.0, 0.0, 0.0462905988097191, 0.0, 1.04142224788666, 1.0, 0.0, 0.0, 0.0, 0.453880071640015, 0.0, 0.0, 0.171187862753868, 3.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-4-2-1-3-6%287%295-12%2Fh1-4H, 1.0, 1.0, , , , , 1.41421353816986, 2.0, 2.20162796974182 2.20162796974182, 0.468372404575348 0.468372404575348, , 3.45790696144104 3.45790696144104, 0.539842069149017 0.539842069149017, , 4.35043954849243 4.35043954849243, , 0.0, 0.0, 0.466640889644623 0.466640889644623, 0.0, 0.0, 16.0, 9.19023418426514, 0.0, , 0.354223430156708, 10.0833330154419, 5.55386018753052, 0.0, , -0.162616342306137, , 0.0, 3.80622839927673, , 4.58496236801147, 0.0683749690651894, 1.65054321289062, 0.0, , 2.49307489395142, 5.42530345916748, , 0.0, 0.0, -0.0366721227765083, 0.288675129413605, , , 3.5458288192749, , 0.0, -0.179269686341286, 0.41247895359993, 2.83642506599426, 0.0, 0.0, 0.117851130664349, 0.0, 1.9884181022644, 0.0, 0.0, 0.666666686534882, 0.779862940311432, , , 0.0, , 0.397313922643661, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 1.0, 124.040000915527, 0.0277777779847383, 0.0, 0.0277777779847383, 98.0, , 0.0, , , 23.7900009155273, 0.0, 2.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 185.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.100592233240604, , , , 5.08567523956299, 4.0, , , 5.67623996734619, , , , 0.0, , 1.70639371871948, , 16.8661212921143, , 13.9115409851074, 58.0, 447.053955078125, 0.0, 0.0, , 0.0, 5.89050817489624, , 23.4176731109619, 0.0, 503.501495361328, , 0.0, 3.11790370941162, 19.8230819702148, , 0.278477877378464, 0.0, 657.094848632812, , 0.0, 2.15514636039734, , 19.7346210479736, 0.0134987309575081, , 583.2236328125, 1.35291695594788, , 0.0517628118395805, 372.110565185547, 0.827804267406464, , 0.0, , 0.00389674794860184, 0.0, 0.443978548049927, , 1.0, , , 0.137510716915131, 1.0, , 0.0508640855550766, 0.0, , 0.0, 
-InChI%3D1S%2FC4H10O%2Fc1-3-4%282%295%2Fh4-5H%2C3H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.182574182748795 0.182574182748795, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.28445720672607, 0.0, 0.0, 0.0756526440382004, 5.0, 2.27005553245544, 0.0, 0.0, -0.0234284214675426, 0.0, 0.0, 2.25, 0.0, 3.32192802429199, -0.0138715161010623, 0.40824830532074, 0.0, 0.0, 4.0, 1.80209517478943, 0.0, 0.0, 0.333333343267441, -0.000526383693795651, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 0.0, 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 176.009994506836, 0.0, 0.0, 0.0, 19.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.77446889877319, 0.0, 4.33209180831909, 16.0, 142.657165527344, 0.0, 1.0, 0.0, 0.0, 3.73167061805725, 0.0, 4.66418409347534, 0.0, 124.837669372559, 0.0, 0.0, 1.95090425014496, 2.33209204673767, 0.0, 0.182574182748795, 0.0, 108.045806884766, 0.0, 0.0, 1.25726962089539, 0.0, 0.0, 0.0, , 45.9265098571777, 0.590822458267212, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H4N2O3%2Fc8-4-2-1-3-6-5%284%297%289%2910%2Fh1-3%2C8H, 2.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 1.49826681613922 1.49826681613922, 0.251223921775818 0.251223921775818, 0.0, 2.17455840110779 2.17455840110779, 0.252108752727509 0.252108752727509, 0.0, 2.13370633125305 2.13370633125305, 0.0, 0.0, 0.0, 0.190256372094154 0.190256372094154, 0.0, 0.0, 12.0, 7.56047773361206, 0.0, 0.0, 0.2427788823843, 8.10000038146973, 4.71521425247192, 0.0, 0.0, -0.0477595590054989, 0.0, 0.0, 3.40828394889832, 0.0, 4.32192802429199, -0.119515009224415, 0.705118358135223, 0.0, 0.0, 1.99111115932465, 4.16961240768433, 0.0, 0.0, 0.0, 0.0470188111066818, 0.0, 0.0, 0.0, 3.03412985801697, 0.0, 0.0, 0.0045747053809464, 0.232307806611061, 2.33534574508667, 0.0, 0.0, 0.0, 0.0, 1.34171581268311, 0.0, 0.0, 0.666666686534882, 0.565641164779663, 0.0, 0.0, 0.0, 2.0, 0.240562617778778, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 106.050003051758, 0.0215165745466948, 0.0, 0.0192450098693371, 76.0, 0.0, 0.0, 0.0, 0.0, 78.9400024414062, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 114.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, 0.0, 1.0, 0.0, 2.38110160827637, 3.0, 0.0, 0.0, 2.94168281555176, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 13.0433835983276, 0.0, 11.9375801086426, 46.0, 344.152435302734, 0.0, 0.0, 0.0, 0.0, 4.89018821716309, 0.0, 15.9613809585571, 0.944940805435181, 378.235931396484, 0.0, 0.0, 2.49950957298279, 15.7086954116821, 0.0, 0.151817515492439, 0.0, 468.666900634766, 0.0, 0.0, 1.60324442386627, 0.0, 11.3755836486816, 0.0, , 383.856811523438, 0.939016819000244, 0.0, 0.0212432779371738, 187.234619140625, 0.529153943061829, 0.0, 0.0, 0.0, 0.0, 0.0, 0.263418287038803, 1.0, 0.0, 0.0, 0.0, 0.0717717111110687, 0.0, 0.0, 0.0200167987495661, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H10O3%2Fc1-11-8-4-3-7%286-10%299%285-8%2912-2%2Fh3-6H%2C1-2H3, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 1.4851268529892 1.4851268529892, 0.462041944265366 0.462041944265366, , 2.15966129302979 2.15966129302979, 0.520306885242462 0.520306885242462, , 2.48246502876282 2.48246502876282, , 0.0, 0.0, 0.471386075019836 0.471386075019836, 0.0, 0.25, 16.0, 8.97469139099121, 0.0, , 0.480889290571213, 10.0833330154419, 5.81239175796509, 0.0, , -0.218632832169533, , 0.0, 4.88888883590698, , 4.58496236801147, -0.0136397518217564, 0.537457466125488, , , 2.49307489395142, 4.4239821434021, , 0.0, 0.16666667163372, -0.13214997947216, 0.0, , , 3.87456035614014, , 2.05947661399841, 0.265324175357819, 0.0833333358168602, 2.83218264579773, 0.0, 1.91031968593597, 0.0, 0.0, 2.06467866897583, 0.0, 0.0, 0.75, 1.19622039794922, , , 0.0, , 0.570295572280884, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 352.029998779297, 0.0240562614053488, 0.0, 0.0335307456552982, 122.0, , 0.0, , , 35.5299987792969, 1.0, 1.0, 0.428571432828903, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 198.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.144337564706802, , , , 2.7494592666626, 5.0, , , 7.30836629867554, , , , 0.0, , 0.0, , 14.3234071731567, , 13.6604595184326, 54.0, 544.865600585938, 0.0, 0.0, , 0.0, 7.03414583206177, , 16.6604595184326, 0.0, 602.513793945312, , 0.0, 3.48715615272522, 18.3246440887451, , 0.210300281643867, 0.40824830532074, 766.81103515625, , 0.0, 2.22573184967041, , 14.8773059844971, 0.0, , 719.283264160156, 1.56761157512665, , 0.0196418557316065, 447.932495117188, 0.915802180767059, , 2.0, , 0.0, 0.0, 0.543842554092407, , 0.0, , , 0.241511642932892, 0.0, , 0.0851461440324783, 1.0, , 0.0, 
-InChI%3D1S%2FC6H7N%2Fc1-6-4-2-3-5-7-6%2Fh2-5H%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.40824830532074 0.40824830532074, 0.149071201682091 0.149071201682091, 0.0, 0.433012694120407 0.433012694120407, 0.129099443554878 0.129099443554878, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0, 0.0, 0.099380798637867 0.099380798637867, 0.0, 0.0, 5.0, 5.11288404464722, 0.0, 0.0, 0.0623466782271862, 5.14285707473755, 3.3938467502594, 0.0, 0.0, -0.0310206096619368, 0.0, 0.0, 2.34375, 0.0, 3.80735492706299, -0.00450927764177322, 0.288675129413605, 0.0, 0.0, 1.5, 2.74318218231201, 0.0, 0.0, 0.0, 0.00400195550173521, 0.0, 0.0, 0.0, 1.89384686946869, 0.0, 1.3731781244278, 0.000354593124939129, 0.0, 1.30671286582947, 0.0, 1.0, 0.0, 0.0, 0.901047587394714, 0.0, 0.0, 0.333333343267441, 0.20412415266037, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 154.009994506836, 0.0248451996594667, 0.0, 0.0248451996594667, 45.0, 0.0, 0.0, 0.0, 0.0, 12.8900003433228, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 42.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.102062076330185, 0.0, 1.0, 0.0, 3.96540641784668, 4.0, 0.0, 0.0, 2.14913988113403, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.35998821258545, 0.0, 7.33237028121948, 30.0, 287.734344482422, 0.0, 0.0, 0.0, 0.0, 4.25661468505859, 0.0, 8.49855613708496, 0.0, 296.011535644531, 0.0, 0.0, 2.27048087120056, 5.16618537902832, 0.0, 0.129099443554878, 0.0, 328.597839355469, 0.0, 0.0, 1.47111880779266, 0.0, 1.0, 0.0, , 198.791488647461, 0.812775373458862, 0.0, 0.0, 34.9419860839844, 0.448139190673828, 0.0, 1.0, 0.0, 0.0, 0.0, 0.247659906744957, 0.0, 0.0, 0.0, 0.0, 0.0496903993189335, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H5FO%2Fc8-7-4-2-1-3-6%287%295-9%2Fh1-5H, 0.0, 1.0, , , , , 0.0, 2.0, 1.06903564929962 1.06903564929962, 0.256233900785446 0.256233900785446, , 1.40829122066498 1.40829122066498, 0.239258393645287 0.239258393645287, , 1.30473780632019 1.30473780632019, , 0.0, 0.0, 0.185670435428619 0.185670435428619, 0.0, 0.0, 10.0, 6.69023466110229, 0.0, , 0.223455205559731, 7.11111116409302, 4.3425350189209, 0.0, , -0.0562931932508945, , 0.0, 3.23966932296753, , 4.16992521286011, -0.016710078343749, 0.402368932962418, 0.0, , 1.70414197444916, 3.43006896972656, , 0.0, 0.0, -0.0964006707072258, 0.0, , , 2.81349611282349, , 0.0, 0.0585281401872635, 0.117851130664349, 1.99955224990845, 0.0, 0.0, 0.0, 0.0, 1.20977282524109, 0.0, 0.0, 0.666666686534882, 0.469913214445114, , , 0.0, , 0.176776692271233, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 124.019996643066, 0.0277777779847383, 0.0, 0.0265365205705166, 67.0, , 0.0, , , 17.0699996948242, 1.0, 1.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 86.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , , , 5.08567523956299, 5.0, , , 5.67623996734619, , , , 0.0, , 0.0, , 11.2765130996704, , 9.91387748718262, 40.0, 344.71826171875, 0.0, 0.0, , 0.0, 4.67296409606934, , 12.4956617355347, 0.0, 373.343933105469, , 0.0, 2.54070997238159, 12.4095392227173, , 0.137887805700302, 0.0, 445.743927001953, , 0.0, 1.63936412334442, , 7.35305213928223, 0.0, , 346.479400634766, 1.03218960762024, , 0.0181848239153624, 129.838806152344, 0.570672154426575, , 0.0, , 0.0, 0.0, 0.308024615049362, , 0.0, , , 0.0775078386068344, 0.0, , 0.0191561784595251, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H4Br2O2%2Fc8-5-1-4%283-10%297%2811%296%289%292-5%2Fh1-3%2C11H, 0.0, 3.53277564048767, , , , , 0.0, 4.0, 1.96768295764923 1.96768295764923, 1.0988085269928 1.0988085269928, , 2.80986452102661 2.80986452102661, 1.82950043678284, , 3.70787334442139 3.70787334442139, , 0.0, 0.0, 1.88492143154144, 0.0, 0.0, 15.0, 8.43072128295898, 0.0, , 0.278782159090042, 9.09090900421143, 5.14706563949585, 0.0, , -0.0536927655339241, , 0.0, 3.59999990463257, , 4.45943164825439, -0.0254748445004225, 0.883494138717651, , , 1.9753086566925, 4.58130502700806, , , 0.0, -0.0775474831461906, 0.0, , , 3.64478826522827, , 0.0, -0.0760968402028084, 0.232307806611061, 2.68009495735168, 0.0, 0.0, 0.0, 0.0, 1.77029883861542, 0.0, 0.0, 0.666666686534882, 0.737662076950073, , , 0.0, , 0.297003626823425, 2.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 115.040000915527, 0.020833333954215, 0.0, 0.103176787495613, 91.0, , 0.0, , , 37.2999992370605, 1.0, 1.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 146.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.205950379371643, , , , 1.19055080413818, 5.0, , , 6.99654006958008, , , , 0.0, , 0.0, , 99.0651168823242, , 22.9695358276367, 52.0, 792.606689453125, 0.0, 0.0, , 0.0, 8.51543426513672, , 38.6069793701172, 0.25, 883.948608398438, , , 4.36664581298828, 47.1331367492676, , 0.750035226345062, 0.0, 1146.58801269531, , 0.0, 3.71330952644348, , 77.639533996582, 0.0, , 1009.91613769531, 2.2469527721405, , 0.0820204690098763, 544.37060546875, 1.93400430679321, , 0.0, , 0.0, 0.0, 0.789698541164398, , 0.0, , , 0.45202374458313, 0.0, , 0.0694899410009384, 1.0, , 0.0, 
-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, 7.0, 0.0, , , , , 0.0, 1.0, 2.28791379928589 2.28791379928589, 2.84441614151001 2.84441614151001, , 3.22024416923523 3.22024416923523, 3.69258403778076 3.69258403778076, , 2.34079647064209 2.34079647064209, 0.0, 0.0, 0.0, 1.87026572227478 1.87026572227478, 0.0, 0.0, 19.0, 10.4413108825684, 0.0, 0.0, 0.111471682786942, 15.0, 6.76027870178223, 0.0, , -0.0701149702072144, , 0.0, 7.30246925354004, 0.0, 4.90689039230347, 0.000750403909478337, 0.9112309217453, 0.0, , 4.16528940200806, 5.26882028579712, , 0.0, 0.75, 0.0113037824630737, 0.125, , , 4.69643259048462, , 7.08230113983154, 0.00216251704841852, 0.0, 3.18664884567261, 0.0, 0.75, 0.0, 4.0, 2.00621938705444, 0.0, 0.0, 999.0009765625, 0.985598564147949, 0.0, , 0.0, 0.0, 0.594861328601837, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1086.02001953125, 0.0320750139653683, 0.0, 0.0226804614067078, -2064771072.0, , 0.0, , , 0.0, 0.0, 1.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , , 14000000000.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, , 0.0, 0.0, 12.7214765548706, 5.0, 0.0, , 4.73470640182495, , 0.0, , 0.0, , 0.0, 0.0, 23.0727424621582, , 14.664740562439, 64.0, 916.628662109375, 0.0, 0.0, 1.0, 0.0, 10.9222850799561, , 18.6647415161133, 0.0, 1000.74603271484, , 0.0, 6.38555717468262, 19.3323707580566, , 1.11785113811493, 0.0, 1287.19946289062, , 0.0, 5.3569188117981, , 15.3323707580566, 0.176776692271233, , 1229.67822265625, 4.84381055831909, , 0.0, 915.294860839844, 2.84803986549377, 0.0, 3.0, , 0.0, 0.0, 1.33316838741302, 0.0, 0.0, , 0.0, 0.658594012260437, 0.0, , 0.354050278663635, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H16O%2Fc1-2-3-4-5-6-7-8%2Fh8H%2C2-7H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 5.0, 6.24264049530029, 0.0, 0.0, 0.0834003686904907, 8.0, 3.91421365737915, 0.0, 0.0, -0.0336307436227798, 0.0, 0.0, 7.0, 0.0, 4.0, -0.00744553282856941, 0.0, 0.0, 0.0, 7.19999980926514, 2.41421365737915, 0.0, 0.0, 0.0, -0.000603174732532352, 0.0, 0.0, 0.0, 1.45710682868958, 0.0, 2.00414514541626, -2.04328189283842e-05, 0.0, 0.853553414344788, 0.0, 0.0, 0.0, 6.0, 0.478553384542465, 0.0, 0.0, 0.75, 0.25, 0.0, 0.0, 0.0, 0.0, 0.125, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 473.010009765625, 0.0, 0.0, 0.0, 74.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 84.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.47342491149902, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 8.77446937561035, 0.0, 7.33209180831909, 26.0, 301.117340087891, 0.0, 0.0, 0.0, 0.0, 5.68985414505005, 0.0, 6.33209180831909, 0.0, 277.572448730469, 0.0, 0.0, 3.52333450317383, 5.33209180831909, 0.0, 0.0, 0.0, 238.547988891602, 0.0, 0.0, 2.13782024383545, 0.0, 4.33209180831909, 0.0, , 191.887344360352, 1.26166725158691, 0.0, 0.0, 142.963150024414, 0.715356767177582, 0.0, 1.0, 0.0, 0.0, 0.0, 0.380833625793457, 1.0, 0.0, 0.0, 0.0, 0.180901706218719, 0.0, 0.0, 0.0559016987681389, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.5355339050293, 0.0, 0.0, 0.168022021651268, 3.20000004768372, 2.5, 0.0, 0.0, -0.0895852074027061, 0.0, 0.0, 1.44000005722046, 0.0, 3.32192802429199, 0.00557419145479798, 0.0, 0.0, 0.0, 0.639999985694885, 1.76776695251465, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.25, 0.0, 0.0, 0.0, 0.0, 0.883883476257324, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0453609228134155, 0.0, 0.0, 61.0099983215332, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 0.0, 13.1400003433228, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.24264049530029, 2.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.77446889877319, 0.0, 5.66418409347534, 20.0, 137.612670898438, 0.0, 0.0, 0.0, 0.0, 2.71764945983887, 0.0, 5.66418409347534, 0.0, 137.431030273438, 0.0, 0.0, 1.47140455245972, 0.0, 0.0, 0.0, 0.0, 137.139846801758, 0.0, 0.0, 0.793148458003998, 0.0, 0.0, 0.0, , 0.0, 0.425380796194077, 0.0, 0.0, 0.0, 0.226804599165916, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H8F4O%2Fc1-4%282%2C10%295%288%2C9%293%286%297%2Fh3%2C10H%2C1-2H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 0.0, 5.4254264831543 5.4254264831543, 1.15130972862244 1.15130972862244, 0.0, 4.39711427688599 4.39711427688599, 0.674115240573883 0.674115240573883, 0.0, 3.31976413726807 3.31976413726807, 0.0, 0.0, 0.0, 0.282251864671707 0.282251864671707, 0.0, 0.0, 15.0, 8.57735061645508, 0.0, 0.0, 0.504469215869904, 10.0, 4.19337558746338, 0.0, 0.0, -0.111231498420238, 0.0, 0.0, 2.55999994277954, 0.0, 4.32192802429199, -0.275249153375626, 2.36602544784546, 0.0, 0.0, 1.99111115932465, 5.12638854980469, 0.0, 0.0, 0.5, 0.0797630771994591, 0.394337564706802, 0.0, 0.0, 3.37638831138611, 0.0, 0.0, 0.0544829741120338, 2.19337558746338, 0.866025388240814, 0.0, 0.666666686534882, 1.11602544784546, 0.0, 0.0, 0.0, 2.82842707633972, 1.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 199.050003051758, 0.0, 0.0, 0.0, 55.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 108.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 16.7826461791992, 0.0, 11.6592321395874, 48.0, 254.938232421875, 0.0, 1.0, 0.0, 0.0, 5.53642177581787, 0.0, 22.4910755157471, 0.0, 276.4599609375, 0.0, 0.0, 2.57668209075928, 27.04514503479, 0.0, 0.924515426158905, 0.0, 383.960540771484, 0.0, 0.0, 2.48267984390259, 0.0, 10.5413064956665, 0.132423058152199, , 298.736053466797, 1.08977091312408, 0.0, 0.295835375785828, 101.58854675293, 0.267012894153595, 0.0, 2.0, 0.0, 0.106775015592575, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H6Cl2%2Fc1-2-4%286%293-5%2Fh2%2C4H%2C1%2C3H2, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.577350258827209 0.577350258827209, 0.492027997970581 0.492027997970581, 0.0, 0.288675129413605 0.288675129413605, 0.214285716414452 0.214285716414452, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 4.99156379699707, 0.0, 0.0, 0.0995632782578468, 6.0, 2.80806040763855, 0.0, 0.0, -0.0247477497905493, 0.0, 0.0, 3.20000004768372, 0.0, 3.58496260643005, -0.0502453856170177, 0.288675129413605, 0.0, 0.0, 3.0, 1.92166829109192, 0.0, 0.0, 0.0, 0.0247305855154991, 0.0, 0.0, 0.0, 1.39384686946869, 0.0, 1.15470051765442, 0.000480911694467068, 0.0, 0.288675129413605, 0.0, 0.5, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 91.0199966430664, 0.0, 0.0, 0.0, 29.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 31.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.5, 1.0, 0.0, 0.0, 2.0, 2.0, 0.0, 0.0, 1.0, , 0.0, 0.0, 21.4255065917969, 0.0, 8.90347480773926, 20.0, 292.715423583984, 0.0, 1.0, 0.0, 0.0, 4.83670091629028, 0.0, 10.8552122116089, 0.0, 272.423522949219, 0.0, 0.0, 2.60626721382141, 15.6162281036377, 0.0, 0.267261236906052, 0.0, 248.507400512695, 0.0, 0.0, 1.77518904209137, 0.0, 2.95173740386963, 0.0, , 153.106109619141, 1.22607982158661, 0.0, 0.0, 31.3406753540039, 0.188982233405113, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H10O%2Fc1-3-5-4-2%2Fh3-4H2%2C1-2H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.12132024765015, 0.0, 0.0, 0.168022021651268, 5.0, 2.41421365737915, 0.0, 0.0, -0.0907856300473213, 0.0, 0.0, 4.0, 0.0, 3.32192802429199, -0.00428223330527544, 0.0, 0.0, 0.0, 4.0, 1.35355341434479, 0.0, 0.0, 0.25, 0.00985642522573471, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 2.30940103530884, 0.00120042101480067, 0.0, 0.353553384542465, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 176.009994506836, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 9.22999954223633, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 5.77446889877319, 0.0, 4.66418409347534, 14.0, 124.857398986816, 0.0, 0.0, 0.0, 0.0, 3.8224618434906, 0.0, 3.66418385505676, 0.0, 103.40990447998, 0.0, 0.0, 1.99156379699707, 2.0, 0.0, 0.0, 0.0, 75.6011657714844, 0.0, 0.0, 0.781474411487579, 0.0, 1.0, 0.0, , 48.3544616699219, 0.40824830532074, 0.0, 0.0, 20.9426364898682, 0.20412415266037, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.420848786830902 0.420848786830902, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.28445720672607, 0.0, 0.0, 0.0976628810167313, 5.0, 2.27005553245544, 0.0, 0.0, -0.0319355763494968, 0.0, 1.0, 2.25, 0.0, 3.32192802429199, -0.0436616763472557, 0.40824830532074, 0.0, 0.0, 4.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0267658121883869, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.03000020980835, 0.0, 0.0, 0.0, 19.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 3.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 28.1382598876953, 0.0, 9.85521221160889, 16.0, 250.480194091797, 0.0, 0.0, 0.0, 0.0, 4.47903060913086, 0.0, 17.5679664611816, 0.0, 224.30989074707, 0.0, 0.0, 2.07722210884094, 17.4255065917969, 0.0, 0.371153742074966, 0.0, 188.053802490234, 0.0, 0.0, 1.62483763694763, 0.0, 0.0, 0.0, , 72.2740325927734, 0.742307484149933, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H10O%2Fc1-3-4-5%282%296%2Fh3-4H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.102062076330185 0.102062076330185, 0.0, 0.288675129413605 0.288675129413605, 0.102062076330185 0.102062076330185, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 4.99156379699707, 0.0, 0.0, 0.121041670441628, 6.0, 2.77005553245544, 0.0, 0.0, -0.0234890133142471, 0.0, 1.0, 3.20000004768372, 0.0, 3.58496260643005, -0.0351916886866093, 0.40824830532074, 0.0, 0.0, 5.33333349227905, 2.18252205848694, 0.0, 0.0, 0.25, -0.00172868056688458, 0.0, 0.0, 0.0, 0.866025388240814, 0.0, 2.14913988113403, -0.000111453984573018, 0.0, 0.577350258827209, 0.0, 1.15470051765442, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 195.009994506836, 0.0, 0.0, 0.0, 31.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 6.77446889877319, 0.0, 5.33209180831909, 20.0, 184.660980224609, 0.0, 0.0, 0.0, 0.0, 4.32246208190918, 0.0, 5.66418409347534, 0.0, 166.039077758789, 0.0, 0.0, 2.26478433609009, 3.33209204673767, 0.0, 0.144337564706802, 0.0, 149.952331542969, 0.0, 0.0, 1.45201516151428, 0.0, 2.33209204673767, 0.0, , 86.3340072631836, 0.602062046527863, 0.0, 0.0, 45.535831451416, 0.352062076330185, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H22O%2Fc1-3-5-7-9-11-10-8-6-4-2%2Fh3-10H2%2C1-2H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 8.0, 8.3639612197876, 0.0, 0.0, 0.167645782232285, 11.0, 5.41421365737915, 0.0, 0.0, -0.0912995710968971, 0.0, 0.0, 10.0, 0.0, 4.45943164825439, -0.00174603227060288, 0.0, 0.0, 0.0, 10.0, 3.47487378120422, 0.0, 0.0, 0.100000001490116, 0.0073190163820982, 0.0, 0.0, 0.0, 2.20710682868958, 0.0, 3.94930672645569, 0.00170296500436962, 0.0, 1.38388347625732, 0.0, 0.0, 0.0, 8.0, 0.853553414344788, 0.0, 0.0, 1.0, 0.515165030956268, 0.0, 0.0, 0.0, 0.0, 0.301776707172394, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 914.010009765625, 0.0, 0.0, 0.0, 150.0, 0.0, 0.0, 0.0, 0.0, 9.22999954223633, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 220.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.65811824798584, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 11.7744693756104, 0.0, 10.6641836166382, 38.0, 447.205413818359, 0.0, 0.0, 0.0, 0.0, 8.06510257720947, 0.0, 9.66418361663818, 0.0, 419.517944335938, 0.0, 0.0, 4.99156379699707, 8.66418361663818, 0.0, 0.0, 0.0, 378.207672119141, 0.0, 0.0, 3.02658605575562, 0.0, 7.66418409347534, 0.0, , 331.825592041016, 1.78445708751678, 0.0, 0.0, 285.322479248047, 1.01031041145325, 0.0, 2.0, 0.0, 0.0, 0.0, 0.492799282073975, 0.0, 0.0, 0.0, 0.0, 0.297430664300919, 0.0, 0.0, 0.174230858683586, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H12O%2Fc1-5-7%284%2C8%296%282%293%2Fh1%2C6%2C8H%2C2-4H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 2.93712306022644 2.93712306022644, 1.42323648929596 1.42323648929596, 0.0, 1.63299322128296 1.63299322128296, 0.490902841091156 0.490902841091156, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0, 0.0, 0.120601132512093 0.120601132512093, 0.0, 0.0, 9.0, 6.78445720672607, 0.0, 0.0, 0.0841188654303551, 8.0, 3.50403594970703, 1.0, 0.0, -0.0306092798709869, 0.0, 0.0, 2.51999998092651, 0.0, 4.0, -0.0112728346139193, 1.33915197849274, 0.0, 0.0, 2.22222232818604, 3.49683523178101, 0.0, 0.0, 1.94416129589081, -8.96886267582886e-05, 0.20412415266037, 0.0, 0.0, 2.47417974472046, 0.0, 1.94196712970734, -8.76298727234825e-05, 0.696923434734344, 0.40824830532074, 0.0, 2.55577230453491, 0.20412415266037, 0.0, 0.0, 0.0, 2.37841415405273, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 305.010009765625, 0.0, 0.0, 0.0, 41.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 62.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 8.77446937561035, 0.0, 7.33209180831909, 34.0, 341.209716796875, 0.0, 1.0, 0.0, 0.0, 5.6019139289856, 0.0, 10.9962759017944, 0.0, 349.527862548828, 0.0, 0.0, 2.7056577205658, 9.99627590179443, 0.0, 0.738465249538422, 0.0, 432.374176025391, 0.0, 0.0, 2.44656038284302, 0.0, 2.0, 0.0645497217774391, , 310.646331787109, 1.41644489765167, 0.0, 0.3379867374897, 57.6082992553711, 0.16666667163372, 0.0, 3.0, 0.0, 0.0645497217774391, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H12N3O3PS2%2Fc1-15-17%2818%2C16-2%2919-7-13-10%2814%298-5-3-4-6-9%288%2911-12-13%2Fh3-6H%2C7H2%2C1-2H3, 0.0, 2.38110160827637, , , , , 0.0, 2.0, 3.80316400527954 3.80316400527954, 4.74324178695679 4.74324178695679, , 4.96548461914062 4.96548461914062, 4.57761096954346 4.57761096954346, , 5.25096607208252 5.25096607208252, 0.0, 0.0, 0.0, 2.79526042938232 2.79526042938232, 0.0, 0.5, 30.0, 13.8804693222046, 0.0, 0.0, 0.512502491474152, 15.3900003433228, 9.09346580505371, 0.0, , -0.342750877141953, , 1.0, 6.63520431518555, 0.0, 5.24792766571045, 0.282223701477051, 1.58864283561707, 0.0, , 3.55555558204651, 7.96138000488281, , 0.0, 0.25, -0.3719162940979, 0.176776692271233, , , 7.12082433700562, , 1.31000518798828, 0.265297025442123, 0.242833852767944, 4.87221908569336, 0.0, 0.863054394721985, 0.0, 1.0, 3.68945693969727, 0.0, 0.0, 1.0, 2.57483100891113, 0.0, , 0.0, 1.0, 1.72535836696625, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 814.090026855469, 0.0417532026767731, 0.0, 0.0595027692615986, 306.0, , 0.0, , , 130.029998779297, 0.0, 1.0, 0.5, 0.0, 1.0, 0.0, 2.0, 0.0, 0.0, 1.41421353816986, 0.0, , , 728.0, 0.0, 0.0, 0.138888895511627, 0.0, 0.280444771051407, , 0.0, 0.0, 4.11402320861816, 5.0, 0.0, , 6.5518536567688, , 1.0, , 0.0, , 0.0, 2.0, 40.3092918395996, 0.0, 40.5249900817871, 96.0, 1307.13879394531, 0.0, 0.0, 0.0, 0.0, 12.9795970916748, , 54.220458984375, 0.0, 1506.0458984375, , 0.0, 9.60921859741211, 48.3471717834473, , 2.45992827415466, 0.333333343267441, 2035.63879394531, , 0.0, 10.0795593261719, , 37.1948661804199, 0.335410207509995, , 2011.57348632812, 8.13727188110352, , 0.0501469224691391, 1496.37646484375, 4.12775993347168, 0.0, 2.0, , 0.0, 0.0, 2.71691417694092, 0.0, 0.0, , 0.0, 1.82020795345306, 0.0, , 1.13288271427155, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC11H16N2%2Fc1-2-4-11%285-3-1%2910-13-8-6-12-7-9-13%2Fh1-5%2C12H%2C6-10H2, 5.0, 0.0, , , , , 0.0, 1.0, 0.813052535057068 0.813052535057068, 0.491451144218445 0.491451144218445, , 1.27903914451599 1.27903914451599, 0.647195637226105 0.647195637226105, , 1.57908487319946 1.57908487319946, 0.0, 0.0, 0.0, 0.686801135540009 0.686801135540009, 0.0, 0.0, 14.0, 8.93287467956543, 0.0, , 0.163870394229889, 9.55102062225342, 6.44948959350586, 0.0, , -0.0938497185707092, , 0.0, 5.02422142028809, , 4.70043992996216, -0.0679421424865723, 0.40824830532074, 0.0, , 3.0, 5.24377393722534, , 0.0, 0.0, 0.0949346721172333, 0.0, , , 4.11615657806396, , 0.0, -0.0116459103301167, 0.0, 3.31708836555481, 0.0, 0.0, 0.0, 5.0, 2.63299322128296, 0.0, 0.0, 1.0, 1.23148417472839, 0.0, , 0.0, 0.0, 0.833333313465118, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 744.02001953125, 0.0879767164587975, 0.0, 0.0622089318931103, 174.0, , 0.0, , , 15.2700004577637, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 1.0, , 0.0, 0.333333343267441, 0.0, , , 264.0, 0.0, 0.0, 0.20412415266037, 0.0, 0.144337564706802, , 0.0, 0.0, 14.7579183578491, 5.0, 0.0, , 4.74510288238525, , 1.0, , 0.0, , 0.0, 0.0, 13.7199764251709, , 14.8309259414673, 62.0, 756.440368652344, 0.0, 0.0, 0.0, 0.0, 7.86949872970581, , 17.8309268951416, 0.0, 832.637878417969, , 0.0, 4.92002725601196, 14.6923589706421, , 0.275965005159378, 0.0, 1019.81597900391, , 0.0, 3.51174640655518, , 10.498556137085, 0.0, , 855.038513183594, 2.45862126350403, , 0.0, 602.770568847656, 1.71087765693665, , 0.0, , 0.0, 0.0, 1.18979144096375, 0.0, 0.0, , 0.0, 0.49821862578392, 0.0, , 0.287617295980453, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC10H18%2Fc1-3-5-7-9-10-8-6-4-2%2Fh3-4H%2C1-2%2C5-10H2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 7.0, 7.65685415267944, 0.0, 0.0, 0.0027289274148643, 10.0, 4.91421365737915, 0.0, 0.0, -0.000875590892974287, 0.0, 0.0, 9.0, 0.0, 4.32192802429199, -0.000432746193837374, 0.0, 0.0, 0.0, 9.14285755157471, 3.12132024765015, 0.0, 0.0, 0.111111111938953, -1.97048047994031e-05, 0.0, 0.0, 0.0, 1.95710682868958, 0.0, 4.25040102005005, 0.000203709350898862, 0.0, 1.20710682868958, 0.0, 0.0, 0.0, 6.0, 0.728553414344788, 0.0, 0.0, 0.800000011920929, 0.426776707172394, 0.0, 0.0, 0.0, 0.0, 0.239276692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 639.0, 0.0, 0.0, 0.0, 122.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 165.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 11.2405834197998, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, , 0.0, 0.0, 10.0, 0.0, 9.0, 34.0, 458.653198242188, 0.0, 0.0, 0.0, 0.0, 6.81155490875244, 0.0, 8.0, 0.0, 429.878112792969, 0.0, 0.0, 4.13299322128296, 7.0, 0.0, 0.0, 0.0, 385.908111572266, 0.0, 0.0, 2.56891417503357, 0.0, 6.0, 0.0, , 333.450714111328, 1.56649661064148, 0.0, 0.0, 278.591125488281, 0.930903673171997, 0.0, 0.0, 0.0, 0.0, 0.0, 0.53324830532074, 0.0, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.143728733062744, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H13Br%2Fc1-2-3-4-5-6-7%2Fh2-6H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 5.5355339050293, 0.0, 0.0, 0.0292395427823067, 7.0, 3.41421365737915, 0.0, 0.0, -0.011964843608439, 0.0, 0.0, 6.0, 0.0, 3.80735492706299, -0.0024591232649982, 0.0, 0.0, 0.0, 6.0, 2.06066012382507, 0.0, 0.0, 0.0, -0.000189749858691357, 0.0, 0.0, 0.0, 1.20710682868958, 0.0, 1.91925978660583, -5.97926509726676e-06, 0.0, 0.676776707172394, 0.0, 0.0, 0.0, 5.0, 0.353553384542465, 0.0, 0.0, 1.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 319.010009765625, 0.0, 0.0, 0.0, 54.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 56.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.67623996734619, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 50.2580909729004, 0.0, 11.6526756286621, 22.0, 341.545989990234, 0.0, 0.0, 0.0, 0.0, 6.49949502944946, 0.0, 10.6526756286621, 0.0, 305.217071533203, 0.0, 0.0, 4.09583711624146, 9.65267562866211, 0.0, 0.0, 0.0, 250.211395263672, 0.0, 0.0, 2.54264068603516, 0.0, 8.65267562866211, 0.0, , 193.884399414062, 1.54791843891144, 0.0, 0.0, 137.563430786133, 0.917766928672791, 0.0, 1.0, 0.0, 0.0, 0.0, 0.523959219455719, 0.0, 0.0, 0.0, 0.0, 0.347182542085648, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC15H12O%2Fc1-2-15%2816%2C13-9-5-3-6-10-13%2914-11-7-4-8-12-14%2Fh1%2C3-12%2C16H, 0.0, 0.5, , , , , 2.0, 2.0, 2.97590184211731 2.97590184211731, 0.936822950839996 0.936822950839996, , 4.71365213394165 4.71365213394165, 1.21835017204285 1.21835017204285, , 5.68887901306152 5.68887901306152, , 0.0, 0.0, 1.24099361896515 1.24099361896515, 0.0, 0.0, 25.0, 11.4328746795654, 0.0, , 0.0834354534745216, 12.4567470550537, 7.77100372314453, 1.0, , -0.0315709598362446, , 0.0, 5.55765581130981, , 5.0, -0.00842006411403418, 0.98144119977951, 0.0, , 2.6514048576355, 6.52923965454102, , 0.0, 0.0, -0.00149355968460441, 0.117851130664349, , , 5.8373966217041, , 2.67182993888855, -0.000229110635700636, 0.488641947507858, 4.43479299545288, 0.0, 0.666666686534882, 0.117851130664349, 0.0, 3.32569861412048, 0.0, 0.5, 1.0, 1.65226519107819, , , 0.0, , 1.14184153079987, 10.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 601.010009765625, 0.0641500279307365, 0.0, 0.0320750139653683, 203.0, , 0.0, , , 20.2299995422363, 0.0, 3.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 412.0, 0.0, 1.0, 0.20412415266037, 0.0, 0.102062076330185, , 0.0, 0.0, 16.6514511108398, 10.0, , , 9.06131935119629, , 0.0, , 0.0, , 4.45618438720703, , 16.7744693756104, , 17.3320922851562, 80.0, 1028.39196777344, 0.0, 0.0, , 0.0, 8.79806613922119, , 23.9962768554688, 0.0, 1187.21118164062, , 0.0, 5.08364915847778, 26.6604595184326, , 0.396871775388718, 0.0, 1619.15881347656, , 0.0, 3.58679866790771, , 23.3283672332764, 0.0279508493840694, , 1642.61169433594, 2.59201455116272, , 0.116202265024185, 1304.64587402344, 1.69204354286194, , 0.0, , 0.0186339002102613, 0.0, 1.06320285797119, , 1.0, , , 0.447173774242401, 1.0, , 0.253213882446289, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC9H7N%2Fc1-2-6-9-8%284-1%295-3-7-10-9%2Fh1-7H, 1.0, 1.0, , , , , 0.0, 0.0, 0.942809045314789 0.942809045314789, 0.330676555633545 0.330676555633545, , 1.5 1.5, 0.424865543842316 0.424865543842316, , 1.88561809062958 1.88561809062958, , 0.0, 0.0, 0.426442444324493 0.426442444324493, 0.0, 0.0, 12.0, 6.81155490875244, 0.0, , 0.0622410289943218, 6.69421482086182, 4.96632671356201, 0.0, , -0.031163739040494, , 0.0, 2.93877553939819, , 4.32192802429199, -0.00377668882720172, 0.333333343267441, 0.0, , 1.38271605968475, 4.08907318115234, , 0.0, 0.0, 0.00322196097113192, 0.0, , , 3.46632647514343, , 0.0, 0.000562832283321768, 0.0833333358168602, 2.85758924484253, 0.0, 0.0, 0.0, 0.0, 2.31649661064148, 0.0, 0.0, 0.666666686534882, 1.14011943340302, , , 0.0, 0.0, 0.70412415266037, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 234.009994506836, 0.0492943525314331, 0.0, 0.0533053055405617, 90.0, , 0.0, , , 12.8900003433228, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 109.0, 0.0, 0.0, 0.16666667163372, 0.0, 0.235702261328697, , 1.0, 0.0, 8.73702907562256, 7.0, , , 7.23257064819336, , 0.0, , 0.0, , 0.0, , 10.3599882125854, , 11.3323707580566, 50.0, 546.297058105469, 2.0, 0.0, 0.0, 0.0, 5.48866558074951, , 14.498556137085, 0.0, 616.525268554688, , 0.0, 3.26449775695801, 12.498556137085, , 0.147883057594299, 0.0, 791.428527832031, , 0.0, 2.1961030960083, , 6.16618537902832, 0.0, , 646.055725097656, 1.5122252702713, , 0.0215165745466948, 288.971893310547, 1.01607012748718, , 0.0, , 0.0, 0.0, 0.664100229740143, 0.0, 0.0, , , 0.257945388555527, 0.0, , 0.127864375710487, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3, 6.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.43566012382507 1.43566012382507, 0.290619105100632 0.290619105100632, 0.0, 2.03033018112183 2.03033018112183, 0.3820461332798 0.3820461332798, 0.0, 1.88832521438599 1.88832521438599, 0.0, 0.0, 0.0, 0.367020457983017 0.367020457983017, 0.0, 1.5, 18.0, 12.9852809906006, 0.0, 0.0, 0.550389409065247, 17.0, 8.18198013305664, 0.0, 0.0, -0.579319775104523, 0.0, 0.0, 11.1111106872559, 0.0, 5.08746290206909, 0.583196222782135, 0.926776707172394, 0.0, 0.0, 9.67901229858398, 6.1819806098938, 0.0, 0.0, 0.300000011920929, -0.310027956962585, 0.176776692271233, 0.0, 0.0, 4.15165042877197, 0.0, 5.55088710784912, -0.000262431451119483, 0.0, 2.78033018112183, 0.0, 0.0, 0.0, 9.0, 1.81066012382507, 0.0, 0.0, 1.0, 1.46783006191254, 0.0, 0.0, 0.0, 1.0, 0.640165030956268, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1577.05004882812, 0.0, 0.0, 0.0, 236.0, 0.0, 0.0, 0.0, 0.0, 54.5699996948242, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 616.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.99300861358643, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 3.0, 25.7482891082764, 0.0, 26.7372817993164, 68.0, 580.131408691406, 0.0, 0.0, 0.0, 0.0, 11.6681098937988, 0.0, 28.3796081542969, 0.0, 571.311096191406, 0.0, 0.0, 7.08333921432495, 26.721622467041, 0.0, 0.182665541768074, 1.5, 599.830810546875, 0.0, 0.0, 4.42542695999146, 0.0, 26.721622467041, 0.0186432246118784, , 601.969177246094, 2.61653876304626, 0.0, 0.0, 609.612976074219, 1.3947879076004, 0.0, 3.0, 0.0, 0.0, 0.0, 0.883842825889587, 0.0, 0.0, 0.0, 0.0, 0.607617795467377, 0.0, 0.0, 0.286433756351471, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3, 1.0, 1.65096366405487, , , , , 0.0, 3.0, 2.49942326545715 2.49942326545715, 0.642356038093567 0.642356038093567, , 3.04623436927795 3.04623436927795, 0.643627762794495 0.643627762794495, , 3.673011302948 3.673011302948, , 0.0, 0.0, 0.635187149047852 0.635187149047852, 0.0, 0.0, 18.0, 10.0080718994141, 0.0, , 0.133698925375938, 11.0769233703613, 6.01974439620972, 0.0, , 0.0242672506719828, , 0.0, 4.48148155212402, , 4.70043992996216, -0.0137828672304749, 1.20511829853058, , , 2.72108840942383, 5.70230436325073, , 0.0, 0.0, -0.0253615994006395, 0.0, , , 4.09772968292236, , 1.14471423625946, -0.0885291174054146, 0.398974478244781, 2.92551803588867, 0.0, 1.5, 0.0, 0.0, 2.08057975769043, 0.0, 0.0, 1.0, 1.45856332778931, , , 0.0, , 0.481853455305099, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 205.059997558594, 0.0240562614053488, 0.0, 0.0455728359520435, 123.0, , 0.0, , , 91.6399993896484, 0.0, 1.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 240.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.146608799695969, , , , 1.65096366405487, 5.0, , , 5.85380077362061, , , , 0.0, , 0.0, , 16.8178520202637, , 15.5462341308594, 62.0, 520.869018554688, 0.0, 0.0, , 0.0, 6.75947093963623, , 21.5420475006104, 1.44224953651428, 590.211669921875, , 0.0, 3.41554427146912, 21.4876613616943, , 0.357958495616913, 0.0, 780.119567871094, , 0.0, 2.48500919342041, , 18.0132789611816, 0.0, , 712.9287109375, 1.60023438930511, , 0.0604486875236034, 442.694610595703, 0.908044517040253, , 1.0, , 0.0, 0.25, 0.545857548713684, , 0.0, , , 0.23871710896492, 0.0, , 0.0595029816031456, 0.0, , 0.0, 
-InChI%3D1S%2FC4H8Cl2%2Fc5-3-1-2-4-6%2Fh1-4H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 4.8284273147583, 0.0, 0.0, 0.0883312448859215, 6.0, 2.91421365737915, 0.0, 0.0, -0.0346587747335434, 0.0, 0.0, 5.0, 0.0, 3.58496260643005, -0.00149221054743975, 0.0, 0.0, 0.0, 5.33333349227905, 1.70710682868958, 0.0, 0.0, 0.0, 0.00894169975072145, 0.0, 0.0, 0.0, 0.95710676908493, 0.0, 0.0, -0.0426734127104282, 0.0, 0.5, 0.0, 0.0, 0.0, 4.0, 0.25, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 139.020004272461, 0.0, 0.0, 0.0, 38.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 35.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.96540641784668, 2.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 21.4255065917969, 0.0, 8.90347480773926, 18.0, 256.993591308594, 0.0, 0.0, 0.0, 0.0, 5.09621381759644, 0.0, 7.90347480773926, 0.0, 226.553848266602, 0.0, 0.0, 3.10356736183167, 6.90347480773926, 0.0, 0.0, 0.0, 176.570053100586, 0.0, 0.0, 1.84100019931793, 0.0, 5.90347480773926, 0.0, , 124.445877075195, 1.05178368091583, 0.0, 0.0, 73.07763671875, 0.566946685314178, 0.0, 0.0, 0.0, 0.0, 0.0, 0.321428567171097, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12O%2Fc1-5%287%296%282%2C3%294%2Fh1-4H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 2.5980761051178 2.5980761051178, 1.36237239837646 1.36237239837646, 0.0, 0.577350258827209 0.577350258827209, 0.352062076330185 0.352062076330185, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 6.0, 6.07735013961792, 0.0, 0.0, 0.119342818856239, 7.0, 2.94337558746338, 0.0, 0.0, -0.0247023515403271, 0.0, 1.0, 1.85185182094574, 0.0, 3.80735492706299, -0.0298556350171566, 1.65470051765442, 0.0, 0.0, 2.66666674613953, 3.52072596549988, 0.0, 0.0, 2.44948983192444, -0.00511342333629727, 0.288675129413605, 0.0, 0.0, 1.73205077648163, 0.0, 0.0, 0.0, 0.866025388240814, 0.0, 0.0, 2.37841415405273, 0.288675129413605, 0.0, 0.0, 0.0, 3.36358571052551, 0.5, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 282.010009765625, 0.0, 0.0, 0.0, 29.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 42.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.77446889877319, 0.0, 6.33209180831909, 30.0, 284.8349609375, 0.0, 0.0, 0.0, 0.0, 5.40824842453003, 0.0, 9.66418361663818, 0.0, 285.146331787109, 0.0, 0.0, 2.45412421226501, 6.99627590179443, 0.0, 1.35206210613251, 0.0, 352.375732421875, 0.0, 0.0, 2.80618619918823, 0.0, 0.0, 0.25, , 185.10920715332, 1.05618619918823, 0.0, 0.306186228990555, 0.0, 0.0, 0.0, 4.0, 0.0, 0.102062076330185, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H11N%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6H%2C2%2C9H2%2C1H3, 1.0, 0.333333343267441, , , , , 0.0, 2.0, 0.901047587394714 0.901047587394714, 0.365045011043549 0.365045011043549, , 0.937443673610687 0.937443673610687, 0.331038415431976 0.331038415431976, , 1.06903564929962 1.06903564929962, , 0.0, 0.0, 0.289326250553131 0.289326250553131, 0.0, 0.0, 9.0, 6.69023466110229, 0.0, , 0.0269772820174694, 7.11111116409302, 4.3256983757019, 0.0, , -0.0086592398583889, , 0.0, 3.23966932296753, , 4.16992521286011, -0.00447222637012601, 0.492799282073975, , , 2.0, 3.53414583206177, , 0.0, 0.0, -0.000343370455084369, 0.0, , , 2.7127788066864, , 1.85053586959839, -1.36019334604498e-05, 0.0, 1.73736357688904, 0.0, 0.63245552778244, 0.0, 1.0, 1.37377345561981, 0.0, 0.0, 1.0, 0.686886727809906, , , 0.0, , 0.117851130664349, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 328.010009765625, 0.0277777779847383, 0.0, 0.0356793627142906, 77.0, , 0.0, , , 26.0200004577637, 0.0, 1.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 90.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , , , 4.88359355926514, 6.0, , , 6.59753942489624, , , , 0.0, , 0.0, , 9.35998821258545, , 9.16618537902832, 40.0, 453.406677246094, 0.0, 0.0, , 0.0, 5.59385824203491, , 11.3323707580566, 0.0, 481.076843261719, , 1.0, 3.17070245742798, 9.33237075805664, , 0.214076176285744, 0.0, 572.900146484375, , 0.0, 2.095134973526, , 4.16618537902832, 0.0, , 438.265960693359, 1.38796746730804, , 0.0, 179.046585083008, 0.753339648246765, , 1.0, , 0.0, 0.0, 0.476156115531921, , 0.0, , , 0.207441493868828, 0.0, , 0.039283711463213, 0.0, , 0.0, 
-InChI%3D1S%2FC4H6Cl2%2Fc1-4%282-5%293-6%2Fh1-3H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.577350258827209 0.577350258827209, 0.400891870260239 0.400891870260239, 0.0, 0.288675129413605 0.288675129413605, 0.227284327149391 0.227284327149391, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 4.99156379699707, 0.0, 0.0, 0.0975742936134338, 6.0, 2.80806040763855, 0.0, 0.0, -0.048042967915535, 0.0, 1.0, 3.20000004768372, 0.0, 3.58496260643005, 0.0221733059734106, 0.288675129413605, 0.0, 0.0, 3.0, 1.92166829109192, 0.0, 0.0, 0.0, -0.0470553115010262, 0.0, 0.0, 0.0, 1.39384686946869, 0.0, 1.0, 0.0241378266364336, 0.0, 0.288675129413605, 0.0, 1.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 91.0199966430664, 0.0, 0.0, 0.0, 29.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 31.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 2.0, 2.0, 0.0, 0.0, 1.0, , 0.0, 0.0, 21.4255065917969, 0.0, 8.90347480773926, 20.0, 290.575775146484, 0.0, 0.0, 0.0, 0.0, 4.88910722732544, 0.0, 8.90347480773926, 0.0, 268.065887451172, 0.0, 0.0, 2.66422772407532, 11.8069496154785, 0.0, 0.176776692271233, 0.0, 249.004043579102, 0.0, 0.0, 1.55178368091583, 0.0, 8.71275329589844, 0.0, , 155.134475708008, 1.13389337062836, 0.0, 0.0, 31.1350059509277, 0.321428567171097, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh6H%2C2-5H2%2C1H3, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 5.5355339050293, 0.0, 0.0, 0.132066652178764, 7.0, 3.41421365737915, 0.0, 0.0, -0.0442661456763744, 0.0, 0.0, 6.0, 0.0, 3.80735492706299, -0.0192883871495724, 0.0, 0.0, 0.0, 6.0, 2.06066012382507, 0.0, 0.0, 0.0, -0.00233784900046885, 0.0, 0.0, 0.0, 1.20710682868958, 0.0, 1.91925978660583, -0.000136965682031587, 0.0, 0.676776707172394, 0.0, 0.0, 0.0, 4.0, 0.353553384542465, 0.0, 0.0, 1.0, 0.176776692271233, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 282.010009765625, 0.0, 0.0, 0.0, 54.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 56.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.67623996734619, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.77446889877319, 0.0, 6.33209180831909, 22.0, 233.709915161133, 0.0, 0.0, 0.0, 0.0, 4.81402587890625, 0.0, 5.33209180831909, 0.0, 211.933090209961, 0.0, 0.0, 2.85105729103088, 4.33209180831909, 0.0, 0.0, 0.0, 175.371627807617, 0.0, 0.0, 1.66244852542877, 0.0, 3.33209204673767, 0.0, , 131.304595947266, 0.925528645515442, 0.0, 0.0, 86.8716125488281, 0.477670907974243, 0.0, 1.0, 0.0, 0.0, 0.0, 0.203263133764267, 0.0, 0.0, 0.0, 0.0, 0.0589255653321743, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12O%2Fc1-5%282%294-6%283%297%2Fh5H%2C4H2%2C1-3H3, 3.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.471404522657394 0.471404522657394, 0.287457466125488 0.287457466125488, 0.0, 0.942809045314789 0.942809045314789, 0.45412415266037 0.45412415266037, 0.0, 0.235702261328697 0.235702261328697, 0.0, 0.0, 0.0, 0.0833333358168602 0.0833333358168602, 0.0, 0.0, 4.0, 5.86180734634399, 0.0, 0.0, 0.121032923460007, 7.0, 3.12589764595032, 0.0, 0.0, -0.0235174670815468, 0.0, 1.0, 3.06122446060181, 0.0, 3.80735492706299, -0.035226259380579, 0.816496610641479, 0.0, 0.0, 6.0, 3.02339601516724, 0.0, 0.0, 0.944940805435181, -0.00155618379358202, 0.0, 0.0, 0.0, 0.942809045314789, 0.0, 1.5, -0.000216550310142338, 0.0, 0.942809045314789, 0.0, 3.46410155296326, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 282.010009765625, 0.0, 0.0, 0.0, 38.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 48.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.77446889877319, 0.0, 6.33209180831909, 26.0, 255.653747558594, 0.0, 1.0, 0.0, 0.0, 5.19270515441895, 0.0, 7.66418409347534, 0.0, 242.599151611328, 0.0, 0.0, 2.62062644958496, 4.33209180831909, 0.0, 0.55258584022522, 0.0, 249.25422668457, 0.0, 0.0, 2.2999861240387, 0.0, 4.66418409347534, 0.0, , 141.707565307617, 0.695705771446228, 0.0, 0.0, 106.046325683594, 0.574914932250977, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC19H12O6%2Fc20-16-10-5-1-3-7-14%2810%2924-18%2822%2912%2816%299-13-17%2821%2911-6-2-4-8-15%2811%2925-19%2813%2923%2Fh1-8%2C20-21H%2C9H2, 0.0, 15.5104522705078, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 4.78044605255127 4.78044605255127, 1.75835132598877 1.75835132598877, 0.0, 8.13694477081299 8.13694477081299, 2.39826345443726 2.39826345443726, 0.0, 12.0677890777588 12.0677890777588, 0.0, 0.0, 0.0, 3.01021718978882 3.01021718978882, 0.0, 0.16666667163372, 46.0, 17.5516777038574, 0.0, 0.0, 0.697402358055115, 18.3673477172852, 12.0585508346558, 0.0, 0.0, -0.308817625045776, 0.0, 2.0, 7.55264711380005, 0.0, 5.64385604858398, 0.150696888566017, 1.73396909236908, 0.0, 0.0, 3.45303201675415, 11.124400138855, 0.0, 0.0, 0.0, -0.282321721315384, 0.0, 0.0, 0.0, 9.99233055114746, 0.0, 0.0, 0.229639261960983, 0.642802536487579, 8.62665748596191, 0.0, 0.0, 0.0, 1.0, 7.00285577774048, 0.0, 0.0, 1.0, 5.02311611175537, 0.0, 0.0, 0.0, 2.0, 3.21812272071838, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1336.06005859375, 0.089576244354248, 0.0, 0.147198855876923, 512.0, 0.0, 0.0, 0.0, 0.0, 93.0599975585938, 0.0, 4.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1424.0, 0.0, 0.0, 0.25738850235939, 0.0, 0.587969958782196, 0.0, 0.0, 0.0, 7.91660976409912, 13.0, 0.0, 0.0, 21.7918262481689, 0.0, 0.0, 0.0, 0.0, , 0.0, 2.0, 29.6468143463135, 0.0, 30.6567363739014, 138.0, 1623.82202148438, 0.0, 4.0, 0.0, 0.0, 13.16273021698, 0.0, 46.5340423583984, 1.14471423625946, 1957.96643066406, 0.0, 0.0, 8.03370666503906, 53.306022644043, 0.0, 0.76551628112793, 1.94196712970734, 2842.82934570312, 0.0, 0.0, 6.25621032714844, 0.0, 48.4113464355469, 0.0, , 3028.8447265625, 4.77203464508057, 0.0, 0.174305200576782, 2482.31469726562, 3.41888070106506, 0.0, 0.0, 0.0, 0.0, 0.0, 2.45335483551025, 2.0, 0.0, 0.0, 0.0, 1.43301689624786, 0.0, 0.0, 0.872915267944336, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H10O3%2Fc1-2-12-9%2811%297-5-3-4-6-8%287%2910%2Fh3-6%2C10H%2C2H2%2C1H3, 2.0, 2.38110160827637, , , , , 0.0, 2.0, 1.49967288970947 1.49967288970947, 0.355696588754654 0.355696588754654, , 2.34221935272217 2.34221935272217, 0.412004142999649 0.412004142999649, , 2.66876363754272 2.66876363754272, , 0.0, 0.0, 0.386286795139313 0.386286795139313, 0.0, 0.0, 15.0, 8.97469139099121, 0.0, , 0.351144760847092, 10.0833330154419, 5.75321865081787, 0.0, , -0.173098862171173, , 1.0, 4.88888883590698, , 4.58496236801147, 0.0645662099123001, 0.607487261295319, , , 2.77777767181396, 4.6915545463562, , 0.0, 0.0, -0.16552560031414, 0.0, , , 3.65274381637573, , 1.19921183586121, 0.128692924976349, 0.19245009124279, 2.85972309112549, 0.0, 0.766309440135956, 0.0, 1.0, 1.74069023132324, 0.0, 0.0, 0.75, 0.875942349433899, , , 0.0, , 0.39510440826416, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 352.029998779297, 0.0277777779847383, 0.0, 0.0263114888221025, 127.0, , 0.0, , , 46.5299987792969, 0.0, 1.0, 0.428571432828903, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 201.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, , , , 4.11402320861816, 5.0, , , 6.5518536567688, , , , 0.0, , 0.0, , 14.3234071731567, , 13.3283681869507, 54.0, 528.716003417969, 0.0, 0.0, , 0.0, 6.78021812438965, , 17.434928894043, 0.25, 576.44873046875, , 0.0, 3.70498728752136, 17.6567363739014, , 0.17838516831398, 0.70710676908493, 713.830993652344, , 0.0, 2.23761916160583, , 15.5414896011353, 0.0, , 652.102233886719, 1.39939546585083, , 0.0306620299816132, 444.520233154297, 0.855097234249115, , 1.0, , 0.0, 0.0, 0.476944953203201, , 0.0, , , 0.181889340281487, 0.0, , 0.0697719752788544, 1.0, , 0.0, 
-InChI%3D1S%2FC8H10N4O2%2Fc1-10-4-9-6-5%2810%297%2813%2912%283%298%2814%2911%286%292%2Fh4H%2C1-3H3, 1.0, 3.53277564048767, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 3.70528268814087 3.70528268814087, 1.15696907043457 1.15696907043457, 0.0, 5.93488693237305 5.93488693237305, 1.46208369731903 1.46208369731903, 0.0, 8.62127017974854 8.62127017974854, 0.0, 0.0, 0.0, 1.72930979728699 1.72930979728699, 0.0, 0.0, 25.0, 10.4556655883789, 0.0, 0.0, 0.551406621932983, 10.5155553817749, 6.53658103942871, 0.0, 0.0, -0.443573385477066, 0.0, 2.0, 3.53875231742859, 0.0, 4.80735492706299, 0.351125091314316, 1.25269651412964, 2.0, 0.0, 1.45454549789429, 6.23230600357056, 0.0, 0.0, 0.646330416202545, -0.271142333745956, 0.0, 0.0, 0.0, 5.87729787826538, 0.0, 0.877205312252045, 0.0747760608792305, 0.599979102611542, 4.4818434715271, 0.0, 4.32634162902832, 0.0, 0.0, 3.12427425384521, 0.0, 0.0, 0.5, 1.97046720981598, 0.0, 0.0, 0.0, 2.0, 1.05446004867554, 1.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0288675129413605, 0.0, 0.0, 443.059997558594, 0.0687112137675285, 0.0, 0.111897669732571, 137.0, 0.0, 0.0, 0.0, 0.0, 58.439998626709, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.19055080413818, 0.0, 0.0, 0.0, 258.0, 0.0962250456213951, 0.0, 0.244373187422752, 0.0, 0.514167904853821, 0.0, 2.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.51967132091522, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 16.9888896942139, 0.0, 17.4922218322754, 76.0, 761.742980957031, 0.0, 0.0, 0.0, 0.0, 8.18270111083984, 0.0, 26.9033813476562, 0.25, 910.935546875, 0.0, 0.0, 4.10792779922485, 30.0937538146973, 0.0, 0.545076310634613, 0.0, 1350.93420410156, 0.0, 0.0, 3.23344898223877, 0.0, 23.7882423400879, 0.0, , 1291.9033203125, 2.31651282310486, 0.0, 0.142308011651039, 873.015502929688, 1.47117984294891, 0.0, 3.0, 0.0, 0.0, 1.14471423625946, 0.867061913013458, 0.0, 0.0, 0.0, 0.0, 0.416395753622055, 0.0, 0.0, 0.173811137676239, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H2F6O%2Fc4-2%285%2C6%291%2810%293%287%2C8%299%2Fh1%2C10H, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.46410155296326 3.46410155296326, 0.380759596824646 0.380759596824646, 0.0, 4.76313972473145 4.76313972473145, 0.252803862094879 0.252803862094879, 0.0, 4.76313972473145 4.76313972473145, 0.0, 0.0, 0.0, 0.106921404600143 0.106921404600143, 0.0, 0.0, 12.0, 8.57735061645508, 0.0, 0.0, 0.700770199298859, 10.0, 4.154700756073, 0.0, 0.0, -0.209085613489151, 0.0, 0.0, 2.55999994277954, 0.0, 4.32192802429199, -0.163278713822365, 2.87638831138611, 0.0, 0.0, 3.11111116409302, 5.45373868942261, 0.0, 0.0, 0.0, -0.229183882474899, 0.577350258827209, 0.0, 0.0, 2.5980761051178, 0.0, 0.0, 0.251163125038147, 0.866025388240814, 1.2990380525589, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 31.0699996948242, 0.0, 0.0, 0.0, 57.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 111.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 19.7867336273193, 0.0, 12.8228025436401, 48.0, 131.132263183594, 0.0, 1.0, 0.0, 0.0, 4.29235076904297, 0.0, 28.1671600341797, 0.0, 142.889984130859, 0.0, 0.0, 1.96944260597229, 22.1332111358643, 0.0, 0.365980476140976, 0.0, 194.334045410156, 0.0, 0.0, 1.48576152324677, 0.0, 22.5183963775635, 0.0311739835888147, , 141.656341552734, 0.620096862316132, 0.0, 0.055328331887722, 74.4488525390625, 0.185576871037483, 0.0, 0.0, 0.0, 0.00697071477770805, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H10O3%2Fc1-2-12-9-5-7%286-10%293-4-8%289%2911%2Fh3-6%2C11H%2C2H2%2C1H3, 2.0, 1.65096366405487, , , , , 0.0, 3.0, 1.46490681171417 1.46490681171417, 0.375342160463333 0.375342160463333, , 1.89699304103851 1.89699304103851, 0.423247992992401 0.423247992992401, , 2.52574181556702 2.52574181556702, , 0.0, 0.0, 0.444397449493408 0.444397449493408, 0.0, 0.0, 15.0, 8.97469139099121, 0.0, , 0.383162140846252, 10.0833330154419, 5.77438688278198, 0.0, , -0.139907449483871, , 0.0, 4.88888883590698, , 4.58496236801147, -0.0914077833294868, 0.606493055820465, 0.0, , 2.77777767181396, 4.61336469650269, , 0.0, 0.0, 0.104353085160255, 0.0, , , 3.70789361000061, , 1.34123075008392, -0.116722889244556, 0.117851130664349, 2.6565580368042, 0.0, 0.766309440135956, 0.0, 1.0, 2.108154296875, 0.0, 0.0, 0.75, 1.16717576980591, , , 0.0, , 0.484883576631546, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 352.029998779297, 0.0240562614053488, 0.0, 0.0344681032001972, 126.0, , 0.0, , , 46.5299987792969, 1.0, 1.0, 0.428571432828903, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 202.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.164266422390938, , , , 3.68599390983582, 5.0, , , 7.94417858123779, , , , 0.0, , 0.0, , 14.3234071731567, , 13.3283681869507, 54.0, 538.579895019531, 0.0, 0.0, , 0.0, 6.78021812438965, , 16.9925518035889, 0.16666667163372, 590.96435546875, , 0.0, 3.68592405319214, 17.7670211791992, , 0.219700336456299, 0.516397774219513, 740.329162597656, , 0.0, 2.27802586555481, , 12.9925518035889, 0.0, , 674.451782226562, 1.41978800296783, , 0.0152145158499479, 434.857788085938, 0.875136196613312, , 1.0, , 0.0, 0.0, 0.547721326351166, , 0.0, , , 0.222697079181671, 0.0, , 0.0763129368424416, 1.0, , 0.0, 
-InChI%3D1S%2FC6H6ClN%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C8H2, 0.0, 1.0, , , , , 0.0, 2.0, 1.13807117938995 1.13807117938995, 0.474189519882202 0.474189519882202, , 1.04044008255005 1.04044008255005, 0.35610568523407 0.35610568523407, , 1.13807117938995 1.13807117938995, , 0.0, 0.0, 0.316126346588135 0.316126346588135, 0.0, 0.0, 8.0, 5.98312759399414, 0.0, , 0.0737106055021286, 6.125, 3.80453038215637, 0.0, , -0.0153097324073315, , 0.0, 2.51999998092651, , 4.0, -0.0358953177928925, 0.471404522657394, 0.0, , 1.48760330677032, 3.23902487754822, , 0.0, 0.0, 0.0148810157552361, 0.0, , , 2.54033637046814, , 0.0, -0.000531269004568458, 0.16666667163372, 1.50166130065918, 0.0, 0.0, 0.0, 0.0, 1.02437734603882, 0.0, 0.0, 0.333333343267441, 0.333333343267441, , , 0.0, , 0.0833333358168602, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 140.020004272461, 0.0277777779847383, 0.0, 0.0475345477461815, 54.0, , 0.0, , , 26.0200004577637, 0.0, 0.0, 0.25, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 60.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, , , , 3.96540641784668, 6.0, , , 4.29827976226807, , , , 0.0, , 0.0, , 16.0727424621582, , 10.1179227828979, 36.0, 420.462036132812, 0.0, 0.0, , 0.0, 5.0206446647644, , 14.2358455657959, 0.0, 448.896850585938, , 1.0, 2.68297219276428, 14.6781177520752, , 0.246996745467186, 0.0, 534.913879394531, , 0.0, 1.92871308326721, , 4.11792278289795, 0.0, , 378.423065185547, 1.24942862987518, , 0.0545544736087322, 82.1770858764648, 0.61082935333252, , 0.0, , 0.0, 0.0, 0.344068020582199, , 0.0, , , 0.095069095492363, 0.0, , 0.0181848239153624, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC10H16%2Fc1-7-2-9-4-8%281%295-10%283-7%296-9%2Fh7-10H%2C1-6H2, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.41421353816986 1.41421353816986, 1.41421353816986 1.41421353816986, 0.0, 2.81649661064148 2.81649661064148, 2.81649661064148 2.81649661064148, 0.0, 3.81765508651733 3.81765508651733, 0.0, 0.0, 0.0, 3.81765508651733 3.81765508651733, 0.0, 0.0, 12.0, 6.55204153060913, 0.0, 0.0, 0.0, 5.625, 4.89897966384888, 0.0, 0.0, 0.0, 0.0, 0.0, 1.77777779102325, 0.0, 4.32192802429199, 0.0, 0.816496610641479, 0.0, 0.0, 0.777777791023254, 4.87831497192383, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 3.98312759399414, 0.0, 0.0, 0.0, 6.0, 3.26598644256592, 0.0, 0.0, 0.333333343267441, 2.20345520973206, 0.0, 0.0, 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 694.0, 0.272165536880493, 0.0, 0.577350258827209, 84.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 96.0, 0.0, 0.0, 0.272165536880493, 0.0, 0.577350258827209, 0.0, 0.0, 0.0, 6.52912902832031, 6.0, 0.0, 0.0, 13.856406211853, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 10.0, 0.0, 12.0, 60.0, 698.525695800781, 0.0, 4.0, 0.0, 0.0, 6.55204153060913, 0.0, 18.0, 0.0, 849.596374511719, 0.0, 0.0, 4.89897966384888, 12.0, 0.0, 0.816496610641479, 0.0, 1242.92724609375, 0.0, 0.0, 4.87831497192383, 0.0, 3.0, 0.0, , 849.596374511719, 4.0, 0.0, 0.0, 195.138717651367, 3.98312759399414, 0.0, 0.0, 0.0, 0.0, 0.0, 3.26598644256592, 0.0, 0.0, 0.0, 0.0, 2.20345520973206, 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H11Cl3NO3PS%2Fc1-3-14-17%2818%2C15-4-2%2916-9-7%2811%295-6%2810%298%2812%2913-9%2Fh5H%2C3-4H2%2C1-2H3, 6.0, 3.30192732810974, 0.0, 0.0, 1.0, 0.0, 0.0, 4.0, 3.35823965072632 3.35823965072632, 2.22813415527344 2.22813415527344, 0.0, 4.78171539306641 4.78171539306641, 3.04332137107849 3.04332137107849, 0.0, 6.22201204299927 6.22201204299927, 0.0, 0.0, 0.0, 3.2469265460968 3.2469265460968, 0.0, 1.5, 26.0, 13.7591485977173, 0.0, 0.0, 0.628862202167511, 16.0555553436279, 8.41483306884766, 0.0, 0.0, -0.456081628799438, 0.0, 0.0, 6.96320009231567, 0.0, 5.16992521286011, 0.32477480173111, 1.80055010318756, 0.0, 0.0, 4.56599283218384, 7.67812013626099, 0.0, 0.0, 0.16666667163372, -0.257371574640274, 0.176776692271233, 0.0, 0.0, 5.65634155273438, 0.0, 1.83426427841187, 0.0186040233820677, 0.284517794847488, 4.40707874298096, 0.0, 1.24957597255707, 0.0, 2.0, 3.02868127822876, 0.0, 0.0, 0.800000011920929, 1.80924606323242, 0.0, 0.0, 0.0, 0.0, 1.007479429245, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 535.090026855469, 0.0161374304443598, 0.0, 0.0614824593067169, 247.0, 1.0, 0.0, 0.0, 0.0, 82.4800033569336, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 612.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.205950379371643, 0.0, 1.0, 0.0, 0.57235711812973, 3.0, 0.0, 0.0, 3.48040437698364, 3.0, 0.0, 0.0, 0.0, , 0.0, 3.0, 55.5998229980469, 0.0, 38.3745613098145, 86.0, 1106.89392089844, 0.0, 0.0, 0.0, 0.0, 13.6315879821777, 0.0, 53.8121948242188, 0.0, 1246.5859375, 0.0, 0.0, 8.70742702484131, 63.9124336242676, 0.0, 1.41261446475983, 0.0, 1668.18408203125, 0.0, 0.0, 7.02948188781738, 0.0, 60.8240852355957, 0.111803397536278, , 1652.80627441406, 4.97243309020996, 0.0, 0.112873218953609, 1389.486328125, 3.59452939033508, 0.0, 2.0, 0.0, 0.0, 0.0, 1.83714950084686, 0.0, 0.0, 0.0, 0.0, 1.00972270965576, 0.0, 0.0, 0.558323085308075, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H9NO%2Fc1-6%289%297-4-3-5-8%287%292%2Fh3-5H%2C1-2H3, 2.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.49826681613922 1.49826681613922, 0.548177361488342 0.548177361488342, 0.0, 2.17455840110779 2.17455840110779, 0.660970032215118 0.660970032215118, 0.0, 1.60792303085327 1.60792303085327, 0.0, 0.0, 0.0, 0.369622319936752 0.369622319936752, 0.0, 0.0, 9.0, 6.85337114334106, 0.0, 0.0, 0.219440430402756, 7.11111116409302, 4.21521425247192, 0.0, 0.0, -0.0867044627666473, 0.0, 1.0, 2.72222232818604, 0.0, 4.16992521286011, -0.0702313110232353, 0.705118358135223, 0.0, 0.0, 1.4693877696991, 3.81605911254883, 0.0, 0.0, 0.25, 0.0874496176838875, 0.0, 0.0, 0.0, 2.78412985801697, 0.0, 1.94416129589081, -0.0402340590953827, 0.232307806611061, 2.16452169418335, 0.0, 2.14913988113403, 0.0, 0.0, 0.79993736743927, 0.0, 0.0, 1.0, 0.340206921100616, 0.0, 0.0, 0.0, 1.0, 0.136082768440247, 3.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0430331490933895, 0.0, 0.0, 252.020004272461, 0.0645497217774391, 0.0, 0.0518172532320023, 58.0, 0.0, 0.0, 0.0, 0.0, 22.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 84.0, 0.117851130664349, 0.0, 0.185892507433891, 1.0, 0.20412415266037, 0.0, 0.0, 0.0, 2.38110160827637, 3.0, 0.0, 0.0, 2.94168281555176, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 10.1344566345215, 0.0, 9.83064746856689, 42.0, 416.241394042969, 0.0, 0.0, 0.0, 0.0, 5.58751249313354, 0.0, 13.1627397537231, 0.0, 456.270172119141, 0.0, 0.0, 2.83848524093628, 10.0517435073853, 0.0, 0.295711249113083, 0.0, 583.963989257812, 0.0, 0.0, 2.06051969528198, 0.0, 6.99627590179443, 0.0, , 374.407012939453, 1.30446529388428, 0.0, 0.0636201128363609, 197.239624023438, 0.826850950717926, 0.0, 2.0, 0.0, 0.0, 0.0, 0.249336138367653, 0.0, 0.0, 0.0, 0.0, 0.0821179300546646, 0.0, 0.0, 0.0303006786853075, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H18S2%2Fc1-9-7-5-3-4-6-8-10-2%2Fh3-8H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 7.0, 7.65685415267944, 0.0, 0.0, 0.0553007423877716, 10.0, 4.91421365737915, 0.0, 0.0, -0.0339591838419437, 0.0, 0.0, 9.0, 0.0, 4.32192802429199, 0.00485041877254844, 0.0, 0.0, 0.0, 9.14285755157471, 3.12132024765015, 0.0, 0.0, 0.111111111938953, 0.0015949261141941, 0.0, 0.0, 0.0, 1.95710682868958, 0.0, 2.89807415008545, 0.00121087522711605, 0.0, 1.20710682868958, 0.0, 0.0, 0.0, 6.0, 0.728553414344788, 0.0, 0.0, 0.800000011920929, 0.426776707172394, 0.0, 0.0, 0.0, 0.0, 0.239276692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 639.02001953125, 0.0, 0.0, 0.0, 122.0, 0.0, 0.0, 0.0, 0.0, 50.5999984741211, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 165.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.47342491149902, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 22.2555065155029, 0.0, 15.6791410446167, 34.0, 636.993957519531, 0.0, 0.0, 0.0, 0.0, 8.69213008880615, 0.0, 11.3395700454712, 0.0, 587.43359375, 0.0, 0.0, 6.68154048919678, 10.3395700454712, 0.0, 0.0, 0.0, 524.813903808594, 2.0, 0.0, 4.371009349823, 0.0, 9.33957004547119, 0.0, , 449.368469238281, 2.84077024459839, 0.0, 0.0, 381.743591308594, 1.83195126056671, 0.0, 2.0, 0.0, 0.0, 0.0, 1.17038512229919, 0.0, 0.0, 0.0, 0.0, 0.739198923110962, 0.0, 0.0, 0.493686228990555, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H4Br2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H, 0.0, 1.0, , , , , 0.0, 2.0, 1.13807117938995 1.13807117938995, 1.76811492443085 1.76811492443085, , 1.04044008255005 1.04044008255005, 1.20980381965637 1.20980381965637, , 1.13807117938995 1.13807117938995, , 0.0, 0.0, 1.17874324321747 1.17874324321747, 0.0, 0.0, 8.0, 5.98312759399414, 0.0, , 0.0584794096648693, 6.125, 3.80453038215637, 0.0, , -0.0120980674400926, , 0.0, 2.51999998092651, , 4.0, -0.0288380198180676, 0.471404522657394, , , 1.48760330677032, 3.23902487754822, , 0.0, 0.0, 0.0120980674400926, 0.0, , , 2.54033637046814, , 0.0, -0.00040168478153646, 0.16666667163372, 1.50166130065918, 0.0, 0.0, 0.0, 0.0, 1.02437734603882, 0.0, 0.0, 0.333333343267441, 0.333333343267441, , , 0.0, , 0.0833333358168602, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 88.0199966430664, 0.0277777779847383, 0.0, 0.109108947217464, 54.0, , 0.0, , , 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 60.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, , , , 3.96540641784668, 6.0, , , 4.29827976226807, , , , 0.0, , 0.0, , 94.5161819458008, , 19.3053512573242, 36.0, 617.538330078125, 0.0, 0.0, , 0.0, 7.23732328414917, , 32.6107025146484, 0.0, 659.08349609375, , 0.0, 3.79131126403809, 73.8687896728516, , 0.566946685314178, 0.0, 781.005126953125, , 0.0, 3.12278246879578, , 13.3053512573242, 0.0, , 546.616271972656, 2.73944735527039, , 0.321428567171097, 115.925437927246, 1.00885248184204, , 0.0, , 0.0, 0.0, 0.573866784572601, , 0.0, , , 0.218217894434929, 0.0, , 0.107142858207226, 0.0, , 0.0, 
-InChI%3D1S%2FC4H9Br%2Fc1-2-3-4-5%2Fh2-4H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.12132024765015, 0.0, 0.0, 0.0292395427823067, 5.0, 2.41421365737915, 0.0, 0.0, -0.0119648426771164, 0.0, 0.0, 4.0, 0.0, 3.32192802429199, -0.00245911232195795, 0.0, 0.0, 0.0, 4.0, 1.35355341434479, 0.0, 0.0, 0.0, -0.000189699014299549, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 1.65096366405487, -6.11731093158596e-06, 0.0, 0.353553384542465, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 149.009994506836, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 48.2580909729004, 0.0, 9.65267562866211, 14.0, 225.033569335938, 0.0, 0.0, 0.0, 0.0, 5.08528137207031, 0.0, 8.65267562866211, 0.0, 189.21467590332, 0.0, 0.0, 3.09583687782288, 7.65267562866211, 0.0, 0.0, 0.0, 135.48616027832, 0.0, 0.0, 1.83553385734558, 0.0, 6.65267562866211, 0.0, , 82.0307235717773, 1.04791843891144, 0.0, 0.0, 32.4839515686035, 0.694365084171295, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H7NO2%2Fc1-6-3-2-4-7%285-6%298%289%2910%2Fh2-5H%2C1H3, 1.0, 0.5, , , , , 0.0, 2.0, 1.38960480690002 1.38960480690002, 0.363750547170639 0.363750547170639, , 1.52280783653259 1.52280783653259, 0.382940888404846 0.382940888404846, , 1.98179233074188 1.98179233074188, , 0.0, 0.0, 0.361588805913925, 0.0, 0.0, 11.0, 7.56047773361206, 0.0, , 0.0652766823768616, 8.10000038146973, 4.69837713241577, 0.0, , 0.00701470160856843, , 0.0, 3.40828394889832, , 4.32192802429199, -0.0229603238403797, 0.788675129413605, , , 2.28571438789368, 4.27587413787842, , , 0.0, -0.0154755124822259, 0.0, , , 2.91976571083069, , 1.51967132091522, -0.00115900358650833, 0.16666667163372, 2.08652830123901, 0.0, 1.15470051765442, 0.0, 0.0, 1.57210290431976, 0.0, 0.0, 0.666666686534882, 0.603098630905151, , , 0.0, , 0.328532844781876, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 199.029998779297, 0.0277777779847383, 0.0, 0.0402003787457943, 80.0, , 0.0, , , 45.8199996948242, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 117.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, , , , 3.53277564048767, 5.0, , , 5.11154460906982, , , , 0.0, , 0.0, , 11.9089260101318, , 11.2731170654297, 46.0, 410.741973876953, 0.0, 0.0, , 0.0, 5.57311105728149, , 14.7710237503052, 0.5, 447.344329833984, , 0.0, 2.91012239456177, 12.660737991333, , 0.278470069169998, 0.0, 551.369934082031, , 0.0, 2.09611320495605, , 8.66073799133301, 0.0, , 429.299224853516, 1.21247494220734, , 0.0124225998297334, 218.361679077148, 0.741532921791077, , 1.0, , 0.0, 0.0, 0.424194931983948, , 0.0, , , 0.137053743004799, 0.0, , 0.037854228168726, 0.0, , 0.0, 
-InChI%3D1S%2FC6H3Cl4N%2Fc7-2-1-3%288%295%2810%296%2811%294%282%299%2Fh1H%2C11H2, 0.0, 6.08364343643188, , , , , 0.0, 5.0, 2.88704609870911 2.88704609870911, 1.72480487823486 1.72480487823486, , 3.69016051292419 3.69016051292419, 1.86332905292511 1.86332905292511, , 5.03910875320435 5.03910875320435, , 0.0, 0.0, 2.45481300354004 2.45481300354004, 0.0, 0.0, 17.0, 8.59385776519775, 0.0, , 0.223986685276031, 9.09090900421143, 5.03658103942871, 0.0, , -0.0123195918276906, , 0.0, 3.1640625, , 4.45943164825439, -0.0967201963067055, 1.04875481128693, 0.0, , 1.60000002384186, 4.76762008666992, , 0.0, 0.0, -0.0473775267601013, 0.0, , , 4.19739627838135, , 0.0, -0.00643081124871969, 0.494387745857239, 2.53098058700562, 0.0, 0.0, 0.0, 0.0, 1.52339267730713, 0.0, 0.0, 0.666666686534882, 0.753461480140686, , , 0.0, 0.0, 0.181443691253662, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 86.0500030517578, 0.0180421955883503, 0.0, 0.092248372733593, 89.0, , 0.0, , , 26.0200004577637, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 140.0, 0.0, 0.0, 0.0453609228134155, 0.0, 0.226804599165916, , 0.0, 0.0, 0.0, 6.0, 0.0, , 3.04182171821594, , 0.0, , 0.0, , 0.0, 0.0, 42.2110023498535, , 18.9731349945068, 54.0, 858.806213378906, 0.0, 0.0, 0.0, 0.0, 8.19027423858643, , 31.9462699890137, 0.0, 975.056274414062, , 1.0, 4.13381242752075, 53.2563209533691, , 0.682968974113464, 0.0, 1320.0009765625, , 0.0, 3.4521815776825, , 37.2831878662109, 0.0, , 1200.6396484375, 2.74979710578918, , 0.267408579587936, 541.991394042969, 1.4157600402832, , 0.0, , 0.0, 0.0, 0.812574446201324, 0.0, 0.0, , , 0.318315088748932, 0.0, , 0.0700169950723648, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-3-6%288%295-7%2Fh2-5%2C8H%2C1H3, 0.0, 0.5, , , , , 0.0, 2.0, 0.837103664875031 0.837103664875031, 0.221646726131439 0.221646726131439, , 1.14665949344635 1.14665949344635, 0.233575955033302 0.233575955033302, , 1.24013328552246 1.24013328552246, , 0.0, 0.0, 0.194154977798462 0.194154977798462, 0.0, 0.0, 9.0, 6.69023466110229, 0.0, , 0.249281093478203, 7.11111116409302, 4.3256983757019, 0.0, , -0.111612625420094, , 0.0, 3.23966932296753, , 4.16992521286011, -0.0094042494893074, 0.492799282073975, 0.0, , 2.0, 3.5460512638092, , 0.0, 0.0, -0.0589460916817188, 0.0, , , 2.62234830856323, , 1.09204828739166, 0.088468424975872, 0.0, 1.93051660060883, 0.0, 0.70710676908493, 0.0, 0.0, 1.33122432231903, 0.0, 0.0, 0.666666686534882, 0.534517824649811, , , 0.0, , 0.201184466481209, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 217.020004272461, 0.0277777779847383, 0.0, 0.0237628296017647, 71.0, , 0.0, , , 29.4599990844727, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 88.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , , , 3.53277564048767, 6.0, , , 5.11154460906982, , , , 0.0, , 0.0, , 10.5489377975464, , 9.99627590179443, 40.0, 367.964691162109, 0.0, 0.0, , 0.0, 5.16486310958862, , 12.3283681869507, 0.0, 393.156127929688, , 0.0, 2.65734648704529, 10.3283681869507, , 0.142576977610588, 0.25, 469.590850830078, , 0.0, 1.70147967338562, , 6.43865299224854, 0.0, , 356.202514648438, 1.05332136154175, , 0.0, 163.389038085938, 0.610485792160034, , 1.0, , 0.0, 0.0, 0.348640233278275, , 0.0, , , 0.0955934748053551, 0.0, , 0.0314645655453205, 0.0, , 0.0, 
-InChI%3D1S%2FC3H9NO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2%2C4H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.105409257113934 0.105409257113934, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.28445720672607, 0.0, 0.0, 0.11703085154295, 5.0, 2.27005553245544, 0.0, 0.0, -0.0255871210247278, 0.0, 0.0, 2.25, 0.0, 3.32192802429199, -0.0567383207380772, 0.40824830532074, 0.0, 0.0, 4.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0238100159913301, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 149.020004272461, 0.0, 0.0, 0.0, 19.0, 0.0, 0.0, 0.0, 0.0, 46.25, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 6.13445711135864, 0.0, 4.49827718734741, 16.0, 135.562606811523, 0.0, 1.0, 0.0, 0.0, 3.30902099609375, 0.0, 4.8303689956665, 0.0, 119.192932128906, 0.0, 1.0, 1.65204572677612, 2.719651222229, 0.0, 0.182574182748795, 0.0, 103.070640563965, 0.0, 0.0, 1.0847235918045, 0.0, 0.0, 0.0, , 42.2271041870117, 0.34111151099205, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FCHI3%2Fc2-1%283%294%2Fh1H, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.031667448580265, 4.0, 1.73205077648163, 0.0, 0.0, -0.0237505864351988, 0.0, 0.0, 1.33333337306976, 0.0, 3.0, 0.00791686214506626, 0.577350258827209, 0.0, 0.0, , 1.73205077648163, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.03000020980835, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 335.915985107422, 0.0, 31.6977596282959, 12.0, 848.63427734375, 0.0, 1.0, 0.0, 0.0, 8.18373870849609, 0.0, 334.915985107422, 0.0, 724.84375, 0.0, 0.0, 4.39155054092407, 0.0, 0.0, 9.41046524047852, 0.0, 494.404205322266, 0.0, 0.0, 11.1346120834351, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H14O%2Fc1-5%282%297-6%283%294%2Fh5-6H%2C1-4H3, 4.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.471404522657394 0.471404522657394, 0.272165536880493 0.272165536880493, 0.0, 0.942809045314789 0.942809045314789, 0.544331073760986 0.544331073760986, 0.0, 0.235702261328697 0.235702261328697, 0.0, 0.0, 0.0, 0.136082768440247 0.136082768440247, 0.0, 0.0, 4.0, 5.86180734634399, 0.0, 0.0, 0.159664884209633, 7.0, 3.12589764595032, 0.0, 0.0, -0.0676874592900276, 0.0, 0.0, 3.06122446060181, 0.0, 3.80735492706299, -0.0312090422958136, 0.816496610641479, 0.0, 0.0, 6.0, 3.02339601516724, 0.0, 0.0, 1.88988161087036, 0.0148746417835355, 0.0, 0.0, 0.0, 0.942809045314789, 0.0, 0.0, 0.00418941816315055, 0.0, 0.942809045314789, 0.0, 4.61880207061768, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 358.010009765625, 0.0, 0.0, 0.0, 38.0, 0.0, 0.0, 0.0, 0.0, 9.22999954223633, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 48.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 7.77446889877319, 0.0, 6.66418409347534, 26.0, 250.831970214844, 0.0, 2.0, 0.0, 0.0, 5.56294870376587, 0.0, 8.32836818695068, 0.0, 235.709167480469, 0.0, 0.0, 2.78080558776855, 4.0, 0.0, 0.471404522657394, 0.0, 243.230606079102, 0.0, 0.0, 2.23359227180481, 0.0, 4.0, 0.0, , 147.032897949219, 0.544331073760986, 0.0, 0.0, 115.01490020752, 0.544331073760986, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12O2%2Fc1-3-4-5-8-6%282%297%2Fh3-5H2%2C1-2H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.0589255653321743 0.0589255653321743, 0.0, 0.20412415266037 0.20412415266037, 0.0416666679084301 0.0416666679084301, 0.0, 0.144337564706802 0.144337564706802, 0.0, 0.0, 0.0, 0.0294627826660872 0.0294627826660872, 0.0, 0.0, 5.0, 6.40577745437622, 0.0, 0.0, 0.270854264497757, 8.0, 3.77005553245544, 0.0, 0.0, -0.165358111262321, 0.0, 1.0, 5.14285707473755, 0.0, 4.0, 0.0505840703845024, 0.40824830532074, 0.0, 0.0, 7.19999980926514, 2.88962864875793, 0.0, 0.0, 0.16666667163372, -0.0157024636864662, 0.0, 0.0, 0.0, 1.38502776622772, 0.0, 2.24957680702209, -0.00452743517234921, 0.0, 0.80258584022522, 0.0, 0.894427180290222, 0.0, 3.0, 0.433012694120407, 0.0, 0.0, 1.0, 0.288675129413605, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 305.019989013672, 0.0, 0.0, 0.0, 65.0, 0.0, 0.0, 0.0, 0.0, 26.2999992370605, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 79.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 2.0, 0.0, 0.0, 1.04004192352295, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 9.54893779754639, 0.0, 7.99627590179443, 28.0, 246.400985717773, 0.0, 0.0, 0.0, 0.0, 5.43781709671021, 0.0, 8.77074527740479, 0.0, 227.785949707031, 0.0, 0.0, 2.90403032302856, 5.66418409347534, 0.0, 0.0833333358168602, 0.5, 211.758987426758, 0.0, 0.0, 1.6935967206955, 0.0, 4.66418409347534, 0.0, , 157.102966308594, 0.803216159343719, 0.0, 0.0, 118.581977844238, 0.360235095024109, 0.0, 2.0, 0.0, 0.0, 0.0, 0.173800349235535, 0.0, 0.0, 0.0, 0.0, 0.101631566882133, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H6O3%2Fc1-4-2-6-3-5-1%2Fh1-3H2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.5, 3.0, 4.24264049530029, 0.0, 0.0, 0.532523155212402, 4.16666650772095, 3.0, 0.0, 0.0, -0.532523155212402, 0.0, 0.0, 2.22222232818604, 0.0, 3.58496260643005, 0.532523155212402, 0.0, 0.0, 0.0, 1.33333337306976, 2.12132024765015, 0.0, 0.0, 0.0, -0.266261577606201, 0.0, 0.0, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.0, 3.0, 0.75, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 114.029998779297, 0.0240562614053488, 0.0, 0.0, 36.0, 0.0, 0.0, 0.0, 0.0, 27.6900005340576, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.0, 0.0, 0.0, 0.125, 0.0, 0.0, 0.0, 0.0, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 3.0, 8.32340717315674, 0.0, 7.99255180358887, 24.0, 131.911331176758, 0.0, 0.0, 0.0, 0.0, 3.34606528282166, 0.0, 8.32340717315674, 0.0, 131.802734375, 0.0, 0.0, 1.73205077648163, 3.99627590179443, 0.0, 0.0, 0.0, 131.911331176758, 0.0, 0.0, 0.965925812721252, 0.0, 0.0, 0.0, , 65.9013671875, 0.5, 0.0, 0.0, 0.0, 0.278838753700256, 0.0, 0.0, 0.0, 0.0, 0.0, 0.144337564706802, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H18O2%2Fc1-2-3-4-5-6-9-7-8-10%2811%2912-9%2Fh9H%2C2-8H2%2C1H3, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.777317047119141 0.777317047119141, 0.301279574632645 0.301279574632645, 0.0, 1.12671315670013 1.12671315670013, 0.404799103736877 0.404799103736877, 0.0, 0.904447615146637 0.904447615146637, 0.0, 0.0, 0.0, 0.290794104337692 0.290794104337692, 0.0, 0.0, 10.0, 8.81155490875244, 0.0, 0.0, 0.2642782330513, 10.0833330154419, 5.8256983757019, 0.0, 0.0, -0.152339711785316, 0.0, 1.0, 5.61224508285522, 0.0, 4.58496236801147, 0.0612950883805752, 0.492799282073975, 0.0, 0.0, 4.0, 4.63358497619629, 0.0, 0.0, 0.0, -0.0332842506468296, 0.0, 0.0, 0.0, 3.26934242248535, 0.0, 1.9876092672348, -0.00712899630889297, 0.0, 2.4469358921051, 0.0, 0.288675129413605, 0.0, 7.0, 1.47309613227844, 0.0, 0.0, 0.800000011920929, 0.779862940311432, 0.0, 0.0, 0.0, 1.0, 0.521553039550781, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0589255653321743, 0.0, 0.0, 768.02001953125, 0.0657229274511337, 0.0, 0.0464731268584728, 166.0, 0.0, 0.0, 0.0, 0.0, 26.2999992370605, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 241.0, 0.117851130664349, 0.0, 0.201184466481209, 0.0, 0.142258897423744, 0.0, 0.0, 0.0, 8.07365989685059, 8.0, 0.0, 0.0, 5.1481785774231, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 13.5489377975464, 0.0, 12.9962759017944, 52.0, 538.637634277344, 0.0, 1.0, 0.0, 0.0, 7.84359455108643, 0.0, 16.1028366088867, 0.0, 562.342590332031, 0.0, 0.0, 5.02110719680786, 10.9962759017944, 0.0, 0.176776692271233, 0.5, 640.880310058594, 0.0, 0.0, 3.49987840652466, 0.0, 8.66418361663818, 0.0, , 458.829498291016, 2.34820222854614, 0.0, 0.0, 370.085113525391, 1.58463072776794, 0.0, 1.0, 0.0, 0.0, 0.0, 0.894559383392334, 0.0, 0.0, 0.0, 0.0, 0.503421604633331, 0.0, 0.0, 0.317145675420761, 1.0, 0.0, 0.0, 0.0
-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%2B, 0.0, 0.793700516223907, , , , , 0.0, 3.0, 1.2742737531662 1.2742737531662, 0.32486554980278 0.32486554980278, , 1.52986979484558 1.52986979484558, 0.320605665445328 0.320605665445328, , 1.92463731765747 1.92463731765747, , 0.0, 0.0, 0.31369560956955 0.31369560956955, 0.0, 0.0, 17.0, 10.5102252960205, 0.0, , 0.176250591874123, 11.484375, 7.34333658218384, 0.0, , -0.0195162538439035, , 0.0, 5.91499996185303, , 4.90689039230347, -0.0604545027017593, 0.696923434734344, 0.0, , 3.81096410751343, 6.20728397369385, , 0.0, 0.0, -0.010236294940114, 0.0, , , 4.84333658218384, , 0.0, -0.0554210916161537, 0.0, 3.56500959396362, 0.0, 0.0, 0.0, 0.0, 2.99202513694763, 0.0, 0.0, 1.0, 1.54319143295288, , , 0.0, , 0.902411282062531, 9.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 466.029998779297, 0.0598527938127518, 0.0, 0.0391895808279514, 246.0, , 0.0, , , 44.9500007629395, 0.0, 0.0, 0.5, 0.0, 1.0, 2.0, 0.0, , 0.0, 0.0, 0.0, , , 420.0, 0.0, 0.0, 0.185395404696465, 0.0, 0.214427679777145, , , 0.0, 10.268575668335, 12.0, , , 9.12838077545166, , , , 0.0, , 0.0, , 16.4944458007812, , 17.024450302124, 72.0, 764.685791015625, 0.0, 0.0, , 0.0, 8.03779315948486, , 21.6612949371338, 0.0, 841.208984375, , 0.0, 4.60287141799927, 18.9936656951904, , 0.223606795072556, 0.0, 1033.84521484375, , 0.0, 3.05194687843323, , 12.3292036056519, 0.0, , 872.560852050781, 1.88684296607971, , 0.0, 586.196228027344, 1.129429936409, , 0.0, , 0.0, 0.0, 0.733363449573517, , 0.0, , , 0.247645229101181, 0.0, , 0.115817748010159, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC12H19NO%2Fc1-2-3-4-5-10-14-12-8-6-11%2813%297-9-12%2Fh6-9H%2C2-5%2C10%2C13H2%2C1H3, 2.0, 0.333333343267441, , , , , 0.0, 2.0, 0.841260969638824 0.841260969638824, 0.237791046500206 0.237791046500206, , 0.95495480298996 0.95495480298996, 0.239170983433723 0.239170983433723, , 1.23672640323639 1.23672640323639, , 0.0, 0.0, 0.245989620685577 0.245989620685577, 0.0, 0.0, 14.0, 10.2257680892944, 0.0, , 0.190796107053757, 12.0714282989502, 6.8256983757019, 0.0, , -0.086595855653286, , 0.0, 7.3125, , 4.80735492706299, -0.0108060631901026, 0.492799282073975, , , 5.48096895217896, 5.32878637313843, , 0.0, 0.0, -0.00032032627495937, 0.0, , , 3.85135436058044, , 2.04400444030762, -0.0396548807621002, 0.0, 2.65435647964478, 0.0, 0.239045724272728, 0.0, 5.0, 2.11682486534119, 0.0, 0.0, 0.833333313465118, 1.1727306842804, , , 0.0, , 0.644144058227539, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 907.02001953125, 0.0277777779847383, 0.0, 0.027377737686038, 233.0, , 0.0, , , 35.25, 0.0, 0.0, 0.454545468091965, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 385.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , , , 11.0447807312012, 10.0, , , 6.27247476577759, , , , 0.0, , 0.0, , 15.1344566345215, , 14.8303689956665, 60.0, 687.497192382812, 0.0, 0.0, , 0.0, 8.83053398132324, , 17.3286457061768, 0.0, 716.25244140625, , 1.0, 5.30994844436646, 15.3286466598511, , 0.164266422390938, 0.0, 812.500793457031, , 0.0, 3.47815752029419, , 10.8303689956665, 0.0, , 700.07470703125, 2.14671945571899, , 0.0, 499.203460693359, 1.28291130065918, , 1.0, , 0.0, 0.0, 0.800253391265869, , 0.0, , , 0.359622985124588, 0.0, , 0.191149234771729, 0.0, , 0.0, 
-InChI%3D1S%2FC6H9NO%2Fc1-4-5%282%298-6%283%297-4%2Fh1-3H3, 4.0, 1.88988161087036, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 1.41023671627045 1.41023671627045, 0.503372371196747 0.503372371196747, 0.0, 1.74368977546692 1.74368977546692, 0.510548532009125 0.510548532009125, 0.0, 1.61931610107422 1.61931610107422, 0.0, 0.0, 0.0, 0.426437556743622 0.426437556743622, 0.0, 0.0, 7.0, 6.14626455307007, 0.0, 0.0, 0.220897287130356, 6.125, 3.69837737083435, 0.0, 0.0, -0.134950071573257, 0.0, 0.0, 2.08264470100403, 0.0, 4.0, 0.0118523733690381, 0.760079681873322, 1.0, 0.0, 1.25, 3.5311439037323, 0.0, 0.0, 0.825481832027435, 0.00971398036926985, 0.0, 0.0, 0.0, 2.51971244812012, 0.0, 0.0, 0.00293508288450539, 0.16666667163372, 1.83019411563873, 0.0, 4.73470640182495, 0.0, 0.0, 0.849515795707703, 0.0, 0.0, 0.333333343267441, 0.0962250456213951, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0228217728435993, 0.0, 0.0, 233.020004272461, 0.0684653222560883, 0.0, 0.0684653222560883, 51.0, 0.0, 0.0, 0.0, 0.0, 26.0300006866455, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 59.0, 0.0962250456213951, 0.0, 0.288675129413605, 0.0, 0.288675129413605, 0.0, 1.0, 0.0, 0.0, 2.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 9.13445663452148, 0.0, 8.99655437469482, 38.0, 290.896331787109, 0.0, 0.0, 0.0, 0.0, 5.35546207427979, 0.0, 13.0482978820801, 0.0, 312.454345703125, 0.0, 0.0, 2.60546183586121, 7.49827718734741, 0.0, 0.30515256524086, 0.0, 406.178344726562, 0.0, 0.0, 1.87447988986969, 0.0, 2.0, 0.0, , 231.694305419922, 1.13545978069305, 0.0, 0.0456435456871986, 54.8212890625, 0.63312691450119, 0.0, 3.0, 0.0, 0.0, 0.0, 0.243863373994827, 0.0, 0.0, 0.0, 0.0, 0.0228217728435993, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC18H15OP%2Fc19-20%2816-10-4-1-5-11-16%2C17-12-6-2-7-13-17%2918-14-8-3-9-15-18%2Fh1-15H, 0.0, 1.5, 0.0, 0.0, 1.0, 0.0, 0.0, 3.0, 3.36784696578979 3.36784696578979, 1.62526738643646 1.62526738643646, 0.0, 5.95037889480591 5.95037889480591, 2.43876361846924 2.43876361846924, , 8.62758731842041 8.62758731842041, 0.0, 0.0, 0.0, 2.93491411209106 2.93491411209106, 0.0, 0.0, 33.0, 13.8386526107788, 0.0, 0.0, 0.118118911981583, 14.9173555374146, 9.81551551818848, 0.0, 0.0, -0.0142356837168336, 0.0, 0.0, 6.84000015258789, 0.0, 5.32192802429199, -0.0359519273042679, 1.02923774719238, 0.0, 0.0, 3.12244892120361, 8.37082672119141, 0.0, 0.0, 0.0, -0.00901790522038937, 0.0962250456213951, , 0.0, 7.4544734954834, 0.0, 0.0, 7.04304111422971e-05, 0.644337594509125, 6.17379140853882, 0.0, 0.0, 0.144337564706802, 0.0, 5.00382280349731, 0.0, 0.0, 1.0, 2.73919892311096, 0.0, 0.0, 0.0, 1.0, 2.07395315170288, 15.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 989.02001953125, 0.0962250456213951, 0.0, 0.0645820200443268, 270.0, 0.0, 0.0, , , 26.8799991607666, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 730.0, 0.0, 0.0, 0.306186228990555, 0.0, 0.153093114495277, , 0.0, 0.0, 26.958890914917, 18.0, 0.0, 0.0, 15.8594980239868, 0.0, 0.0, , 0.0, , 0.0, 0.0, 26.4248828887939, 0.0, 29.1717700958252, 104.0, 1247.37170410156, 0.0, 0.0, 0.0, 0.0, 11.2396583557129, 0.0, 40.4693145751953, 0.0, 1464.16076660156, , 0.0, 7.01278305053711, 44.4655914306641, 0.0, 0.624971270561218, 0.0, 2039.94165039062, 0.0, 0.0, 5.30889177322388, 0.0, 39.7290725708008, 0.0342497900128365, , 2194.0341796875, 4.12957859039307, , 0.220893666148186, 2042.57165527344, 3.02958607673645, 0.0, 0.0, , 0.0342497900128365, 0.0, 2.12173843383789, 0.0, 0.0, 0.0, 0.0, 1.11537158489227, 0.0, , 0.69855123758316, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H13NO%2Fc1-12%282%2911-7-5-10%286-8-11%294-3-9-13%2Fh3-9H%2C1-2H3%2Fb4-3%2B, 0.0, 0.333333343267441, , , , , 0.0, 2.0, 1.47345280647278 1.47345280647278, 0.660003066062927 0.660003066062927, , 1.59906888008118 1.59906888008118, 0.572937726974487 0.572937726974487, , 1.68517112731934 1.68517112731934, , 0.0, 0.0, 0.492405652999878 0.492405652999878, 0.0, 0.0, 15.0, 9.68179798126221, 0.0, , 0.23188816010952, 11.0769233703613, 6.23638200759888, 0.0, , -0.120174773037434, , 0.0, 5.671875, , 4.70043992996216, -0.00537431705743074, 0.70412415266037, , , 3.70370364189148, 5.16705083847046, , 0.0, 0.5, 0.0156506579369307, 0.0, , , 3.80014634132385, , 2.99836802482605, -0.00751290982589126, 0.16666667163372, 2.6363730430603, 0.0, 1.26491105556488, 0.0, 0.0, 1.98319828510284, 0.0, 0.0, 0.800000011920929, 1.29445862770081, , , 0.0, , 0.737459361553192, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 520.02001953125, 0.0277777779847383, 0.0, 0.0284601077437401, 173.0, , 0.0, , , 20.3099994659424, 3.0, 1.0, 0.444444447755814, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 280.0, 0.0, 0.0, 0.0833333358168602, 2.0, 0.107038088142872, , , , 8.56995296478271, 5.0, , , 7.17834424972534, , , , 0.0, , 0.0, , 14.1344566345215, , 13.8306474685669, 58.0, 708.262084960938, 0.0, 0.0, , 0.0, 7.89691400527954, , 16.6644630432129, 0.0, 767.863159179688, , 0.0, 4.13044548034668, 15.6644620895386, , 0.394367456436157, 0.0, 945.39111328125, , 0.0, 2.9811589717865, , 11.4982776641846, 0.0, , 846.998413085938, 1.77672851085663, , 0.0745356008410454, 567.505798339844, 1.03397011756897, , 2.0, , 0.0, 0.0, 0.622426211833954, , 0.0, , , 0.344237178564072, 0.0, , 0.163856789469719, 1.0, , 0.0, 
-InChI%3D1S%2FC9H11NO2%2Fc1-2-12-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3, 2.0, 1.31037068367004, , , , , 0.0, 2.0, 1.42846834659576 1.42846834659576, 0.352952837944031 0.352952837944031, , 1.72322940826416 1.72322940826416, 0.357405811548233 0.357405811548233, , 2.0198929309845 2.0198929309845, , 0.0, 0.0, 0.359788745641708 0.359788745641708, 0.0, 0.0, 14.0, 8.97469139099121, 0.0, , 0.293641000986099, 10.0833330154419, 5.73638200759888, 0.0, , -0.176302328705788, , 1.0, 4.88888883590698, , 4.58496236801147, 0.0680973082780838, 0.6910440325737, , , 3.11418676376343, 4.78591108322144, , 0.0, 0.0, -0.0145328585058451, 0.0, , , 3.60926818847656, , 1.28268933296204, -0.0119775738567114, 0.117851130664349, 2.54594278335571, 0.0, 0.685006737709045, 0.0, 1.0, 1.79513692855835, 0.0, 0.0, 1.0, 1.08662402629852, , , 0.0, , 0.424757897853851, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 397.029998779297, 0.0277777779847383, 0.0, 0.0299263969063759, 140.0, , 0.0, , , 52.3199996948242, 0.0, 1.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 211.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, , , , 3.83851957321167, 5.0, , , 7.73231601715088, , , , 0.0, , 0.0, , 13.9089260101318, , 13.1624612808228, 54.0, 554.621887207031, 0.0, 0.0, , 0.0, 6.91035461425781, , 17.1031150817871, 0.0, 599.886474609375, , 1.0, 3.76407265663147, 15.9928302764893, , 0.221225038170815, 0.5, 737.0263671875, , 0.0, 2.34247875213623, , 11.8266448974609, 0.0, , 642.913269042969, 1.42181777954102, , 0.0138888889923692, 414.201385498047, 0.83363002538681, , 1.0, , 0.0, 0.0, 0.517934501171112, , 0.0, , , 0.210588991641998, 0.0, , 0.0745145007967949, 1.0, , 0.0, 
-InChI%3D1S%2FC8H10O2%2Fc9-6-7-10-8-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2, 2.0, 0.0, , , , , 0.0, 1.0, 0.433012694120407 0.433012694120407, 0.126679942011833 0.126679942011833, , 0.61237245798111 0.61237245798111, 0.157617628574371 0.157617628574371, , 0.679412364959717 0.679412364959717, , 0.0, 0.0, 0.138951525092125 0.138951525092125, 0.0, 0.0, 9.0, 7.23420429229736, 0.0, , 0.265333712100983, 8.10000038146973, 4.93185186386108, 0.0, , -0.10522285848856, , 0.0, 4.76033067703247, , 4.32192802429199, -0.113776929676533, 0.20412415266037, 0.0, , 3.11111116409302, 3.64626431465149, , 0.0, 0.0, 0.110775224864483, 0.0, , , 2.69067072868347, , 0.0, -0.0114582069218159, 0.0, 1.96861410140991, 0.0, 0.0, 0.0, 2.0, 1.51341998577118, 0.0, 0.0, 0.75, 0.637136876583099, , , 0.0, , 0.348461717367172, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 310.019989013672, 0.0320750139653683, 0.0, 0.0130945695564151, 107.0, , 0.0, , , 29.4599990844727, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 133.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, , , , 8.36400413513184, 6.0, , , 3.79983568191528, , , , 0.0, , 0.0, , 11.5489377975464, , 10.9962759017944, 42.0, 410.590240478516, 0.0, 0.0, , 0.0, 5.65642690658569, , 12.3283681869507, 0.0, 430.084625244141, , 0.0, 3.2197105884552, 10.4386529922485, , 0.0680413842201233, 0.333333343267441, 482.756378173828, , 0.0, 1.88512098789215, , 6.66418409347534, 0.0, , 381.728149414062, 1.10322093963623, , 0.0, 228.256210327148, 0.680214941501617, , 0.0, , 0.0, 0.0, 0.414112567901611, , 0.0, , , 0.127976894378662, 0.0, , 0.0587671883404255, 0.0, , 0.0, 
-InChI%3D1S%2FC2H3Cl3%2Fc3-1-2%284%295%2Fh2H%2C1H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.595170080661774 0.595170080661774, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.28445720672607, 0.0, 0.0, 0.152642473578453, 5.0, 2.27005553245544, 0.0, 0.0, -0.0496864542365074, 0.0, 0.0, 2.25, 0.0, 3.32192802429199, -0.0685682073235512, 0.40824830532074, 0.0, 0.0, 4.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0419334247708321, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 29.0300006866455, 0.0, 0.0, 0.0, 19.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 3.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 28.1382598876953, 0.0, 9.85521221160889, 16.0, 242.588073730469, 0.0, 1.0, 0.0, 0.0, 4.68613719940186, 0.0, 17.5679664611816, 0.0, 218.266159057617, 0.0, 0.0, 2.51933932304382, 17.4255065917969, 0.0, 0.524890661239624, 0.0, 180.682388305664, 0.0, 0.0, 2.13103771209717, 0.0, 0.0, 0.0, , 68.0624389648438, 1.04978132247925, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H12O%2Fc1-2-8%289%296-4-3-5-7-8%2Fh1%2C9H%2C3-7H2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.63388347625732 1.63388347625732, 0.61014986038208 0.61014986038208, 0.0, 1.92049515247345 1.92049515247345, 0.712205648422241 0.712205648422241, 0.0, 1.38388347625732 1.38388347625732, 0.0, 0.0, 0.0, 0.56450629234314 0.56450629234314, 0.0, 0.0, 10.0, 6.74264049530029, 0.0, 0.0, 0.084070049226284, 7.11111116409302, 4.26776695251465, 1.0, 0.0, -0.0306271184235811, 0.0, 0.0, 2.72222232818604, 0.0, 4.16992521286011, -0.0111814392730594, 0.926776707172394, 0.0, 0.0, 1.70414197444916, 3.72487378120422, 0.0, 0.0, 0.0, -6.87151405145414e-05, 0.176776692271233, 0.0, 0.0, 2.91421365737915, 0.0, 2.00414514541626, -0.000154715919052251, 0.0, 1.75888347625732, 0.0, 0.0, 0.0, 5.0, 1.20710682868958, 0.0, 0.5, 0.666666686534882, 0.478553384542465, 0.0, 0.0, 0.0, 0.0, 0.125, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 369.010009765625, 0.0883883461356163, 0.0, 0.0837226435542107, 67.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 84.0, 0.0, 1.0, 0.0883883461356163, 0.0, 0.150888353586197, 0.0, 0.0, 0.0, 7.73231601715088, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.96540641784668, 0.0, 9.77446937561035, 0.0, 9.33209228515625, 42.0, 434.492340087891, 0.0, 0.0, 0.0, 0.0, 5.56009769439697, 0.0, 12.9962759017944, 0.0, 472.402465820312, 0.0, 0.0, 3.46938872337341, 10.9962759017944, 0.0, 0.394917279481888, 0.0, 596.106140136719, 0.0, 0.0, 2.73658227920532, 0.0, 4.33209180831909, 0.0559016987681389, , 438.415893554688, 1.94938743114471, 0.0, 0.0, 151.304702758789, 1.28100478649139, 0.0, 0.0, 0.0, 0.0, 0.0, 0.869195580482483, 1.0, 1.0, 0.0, 0.0, 0.239614069461823, 1.0, 0.0, 0.0510310381650925, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H15NO2%2Fc12-8-6-11%287-9-13%2910-4-2-1-3-5-10%2Fh1-5%2C12-13H%2C6-9H2, 4.0, 0.0, , , , , 0.0, 1.0, 0.942809045314789 0.942809045314789, 0.47868886590004 0.47868886590004, , 1.56903564929962 1.56903564929962, 0.654509484767914 0.654509484767914, , 1.96302914619446 1.96302914619446, , 0.0, 0.0, 0.622879862785339 0.622879862785339, 0.0, 0.0, 15.0, 9.51866149902344, 0.0, , 0.27596241235733, 11.0769233703613, 6.380539894104, 0.0, , -0.116349048912525, , 0.0, 6.45333337783813, , 4.70043992996216, -0.139191865921021, 0.333333343267441, 0.0, , 3.70370364189148, 4.73551988601685, , 0.0, 0.0, 0.190722957253456, 0.0, , , 3.6354284286499, , 0.0, -0.0195168238133192, 0.0833333358168602, 2.96289491653442, 0.0, 0.0, 0.0, 4.0, 2.20578551292419, 0.0, 0.0, 0.75, 1.06692659854889, , , 0.0, , 0.569035589694977, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 628.030029296875, 0.0320750139653683, 0.0, 0.0143443830311298, 140.0, , 0.0, , , 43.7000007629395, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 260.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0589255653321743, , 0.0, 0.0, 12.5379114151001, 6.0, , , 4.58575630187988, , 1.0, , 0.0, , 0.0, , 14.9089260101318, , 14.1627397537231, 56.0, 673.212768554688, 0.0, 0.0, , 0.0, 7.55681943893433, , 16.3289241790771, 0.16666667163372, 731.050354003906, , 0.0, 4.39920139312744, 16.439302444458, , 0.186338990926743, 0.0, 879.412658691406, , 0.0, 2.76981091499329, , 15.494553565979, 0.0, , 837.394653320312, 1.86117649078369, , 0.0372678004205227, 656.775146484375, 1.25023627281189, , 0.0, , 0.0, 0.0, 0.728397846221924, , 0.0, , , 0.274055242538452, 0.0, , 0.128752455115318, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC10H14%2Fc1-3-9-6-5-7-10%284-2%298-9%2Fh5-8H%2C3-4H2%2C1-2H3, 2.0, 0.5, , , , , 0.0, 2.0, 0.932625710964203 0.932625710964203, 0.489636152982712 0.489636152982712, , 1.22850155830383 1.22850155830383, 0.551917433738708 0.551917433738708, , 1.35230541229248 1.35230541229248, , 0.0, 0.0, 0.542579114437103 0.542579114437103, 0.0, 0.0, 11.0, 7.39734125137329, 0.0, , 0.0, 8.10000038146973, 4.86370325088501, 0.0, , 0.0, , 0.0, 4.0, , 4.32192802429199, 0.0, 0.40824830532074, 0.0, , 2.28571438789368, 3.71515321731567, , 0.0, 0.16666667163372, 0.0, 0.0, , , 3.04611206054688, , 3.86195755004883, 0.0, 0.0, 2.14388990402222, 0.0, 1.41421353816986, 0.0, 2.0, 1.59341299533844, 0.0, 0.0, 1.0, 0.745812296867371, , , 0.0, , 0.353553384542465, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 486.0, 0.0277777779847383, 0.0, 0.039283711463213, 90.0, , 0.0, , , 0.0, 0.0, 2.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 121.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.117851130664349, , , 0.0, 6.60350227355957, 6.0, , , 7.41257619857788, , , , 0.0, , 0.0, , 10.0, , 10.0, 44.0, 543.285034179688, 0.0, 0.0, , 0.0, 6.72361469268799, , 12.0, 0.0, 579.951843261719, , 0.0, 3.94268751144409, 11.0, , 0.235702261328697, 0.0, 694.975219726562, , 0.0, 2.52705764770508, , 7.0, 0.0, , 588.495788574219, 1.8078898191452, , 0.0, 336.254516601562, 1.06949031352997, , 2.0, , 0.0, 0.0, 0.701020896434784, , 0.0, , , 0.310875236988068, 0.0, , 0.126679942011833, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H4Cl2O%2Fc8-6-2-1-5%284-10%297%289%293-6%2Fh1-4H, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 1.40924251079559 1.40924251079559, 0.699150860309601 0.699150860309601, , 1.94750583171844 1.94750583171844, 0.799457132816315 0.799457132816315, , 2.06838130950928 2.06838130950928, , 0.0, 0.0, 0.784205734729767 0.784205734729767, 0.0, 0.0, 12.0, 7.56047773361206, 0.0, , 0.217710375785828, 8.10000038146973, 4.73638200759888, 0.0, , -0.0544890984892845, , 0.0, 3.40828394889832, , 4.32192802429199, -0.00707135815173388, 0.6910440325737, 0.0, , 1.99111115932465, 4.06383609771729, , 0.0, 0.0, -0.085567444562912, 0.0, , , 3.13352584838867, , 0.0, 0.0580148696899414, 0.117851130664349, 2.33458280563354, 0.0, 0.0, 0.0, 0.0, 1.39430165290833, 0.0, 0.0, 1.0, 0.830066502094269, , , 0.0, , 0.144337564706802, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 106.029998779297, 0.0240562614053488, 0.0, 0.0684433579444885, 84.0, , 0.0, , , 17.0699996948242, 1.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 116.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.184195280075073, , 0.0, 0.0, 2.7494592666626, 5.0, , , 7.30836629867554, , 0.0, , 0.0, , 0.0, , 26.1999759674072, , 14.2355670928955, 46.0, 580.630432128906, 0.0, 0.0, 0.0, 0.0, 6.48543643951416, , 21.1390419006348, 0.0, 639.647766113281, , 0.0, 3.39630460739136, 22.4228706359863, , 0.435978978872299, 0.0, 801.439819335938, , 0.0, 2.62732195854187, , 22.2123985290527, 0.0, , 652.943542480469, 1.65188837051392, , 0.0545544736087322, 296.342407226562, 1.0501184463501, , 0.0, , 0.0, 0.0, 0.530914962291718, , 0.0, , , 0.253178983926773, 0.0, , 0.02708875015378, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC5H12ClN.ClH%2Fc1-7%282%295-3-4-6%3B%2Fh3-5H2%2C1-2H3%3B1H, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.223606795072556 0.223606795072556, 0.0, 0.20412415266037 0.20412415266037, 0.15811388194561 0.15811388194561, 0.0, 0.20412415266037 0.20412415266037, 0.0, 0.0, 0.0, 0.179284289479256 0.179284289479256, 0.0, 0.0, 4.0, 5.69867038726807, 0.0, 0.0, 0.140168607234955, 10.8888893127441, 3.27005553245544, 0.0, 0.0, -0.0810559466481209, 0.0, 0.0, 7.0, 0.0, 4.0, 0.0127998143434525, 0.40824830532074, 0.0, 0.0, 11.25, 2.53607535362244, 0.0, 0.0, 0.5, -0.0405138731002808, 0.0, 0.0, 0.0, 1.13502776622772, 0.0, 2.0800838470459, 0.0674254223704338, 0.0, 0.61237245798111, 0.0, 0.0, 0.0, 3.0, 0.40824830532074, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 305.029998779297, 0.0, 0.0, 0.0, -884901888.0, 0.0, 0.0, 0.0, 0.0, 3.24000000953674, 0.0, 0.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7000000000.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 23.7854957580566, 0.0, 8.45029354095459, 24.0, 305.032531738281, 0.0, 0.0, 0.0, 0.0, 6.92717218399048, 0.0, 8.11792278289795, 0.0, 274.638977050781, 0.0, 0.0, 3.01243877410889, 6.11792278289795, 0.0, 0.31622776389122, 0.0, 254.70182800293, 0.0, 0.0, 2.22377610206604, 0.0, 5.44227266311646, 0.0, , 170.074371337891, 1.00621938705444, 0.0, 0.0, 115.966453552246, 0.495512068271637, 0.0, 2.0, 0.0, 0.0, 0.0, 0.358568578958511, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-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, 4.0, 0.333333343267441, , , , , 0.0, 2.0, 2.77902126312256 2.77902126312256, 1.96782827377319 1.96782827377319, , 4.1072244644165 4.1072244644165, 2.76574087142944 2.76574087142944, , 4.10325860977173 4.10325860977173, , 0.0, 0.0, 2.23869299888611 2.23869299888611, 0.0, 1.5, 24.0, 13.5960121154785, 0.0, , 0.502612054347992, 16.0555553436279, 8.50414943695068, 0.0, , -0.361827284097672, , 0.0, 7.55555534362793, , 5.16992521286011, 0.299610018730164, 1.63090085983276, 0.0, , 5.26748991012573, 7.53960704803467, , 0.0, 0.355689316987991, -0.204563289880753, 0.176776692271233, , , 5.32280158996582, , 3.89898109436035, -0.0339488126337528, 0.16666667163372, 4.29217720031738, 0.0, 1.19526600837708, 0.0, 2.0, 2.67718195915222, 0.0, 0.0, 1.0, 1.81209897994995, , , 0.0, , 1.07488453388214, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 919.070007324219, 0.0277777779847383, 0.0, 0.0354266166687012, 274.0, , 0.0, , , 105.870002746582, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 661.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.107038088142872, , , 0.0, 4.34811925888062, 6.0, , , 5.46568870544434, , , , 0.0, , 0.0, , 39.0037956237793, , 38.0829467773438, 84.0, 1098.20812988281, 0.0, 0.0, , 0.0, 12.7901029586792, , 44.0612449645996, 0.0, 1206.18225097656, , 0.0, 8.95805168151855, 41.9852027893066, , 1.30242872238159, 0.412740916013718, 1557.90417480469, , 0.0, 7.00996732711792, , 38.1596183776855, 0.111803397536278, , 1492.72094726562, 4.91267251968384, , 0.0589993596076965, 1276.9013671875, 3.60228371620178, , 3.0, , 0.0, 0.0, 1.58016502857208, , 0.0, , , 0.989426374435425, 0.0, , 0.637012660503387, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-4-2-3-5-8%287%2911%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, 1.0, 1.65096366405487, , , , , 0.0, 2.0, 1.23429620265961 1.23429620265961, 0.28908109664917 0.28908109664917, , 1.66298806667328 1.66298806667328, 0.329144209623337 0.329144209623337, , 2.23812651634216 2.23812651634216, , 0.0, 0.0, 0.328480511903763 0.328480511903763, 0.0, 0.0, 12.0, 8.26758480072021, 0.0, , 0.233823359012604, 9.09090900421143, 5.19837713241577, 0.0, , -0.101875349879265, , 1.0, 4.13265323638916, , 4.45943164825439, -0.0443029291927814, 0.810617208480835, , , 2.84444451332092, 4.65136957168579, , 0.0, 0.0, 0.0659003406763077, 0.0, , , 3.06327271461487, , 0.80820620059967, -0.0537486858665943, 0.117851130664349, 2.34871697425842, 0.0, 1.31037068367004, 0.0, 0.0, 1.79927670955658, 0.0, 0.0, 1.0, 0.694305300712585, , , 0.0, , 0.34104311466217, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 290.029998779297, 0.0277777779847383, 0.0, 0.0248451996594667, 101.0, , 0.0, , , 52.8199996948242, 0.0, 0.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 158.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , , , 3.96540641784668, 6.0, , , 5.02304172515869, , , , 0.0, , 0.0, , 12.9089260101318, , 11.9965543746948, 50.0, 499.414001464844, 0.0, 0.0, , 0.0, 6.15104198455811, , 16.0482978820801, 0.200000002980232, 540.00927734375, , 0.0, 3.22177743911743, 13.8821125030518, , 0.229099437594414, 0.0, 664.541748046875, , 0.0, 2.1477313041687, , 10.494553565979, 0.0, , 555.12841796875, 1.16398668289185, , 0.0166666675359011, 362.627777099609, 0.733024716377258, , 1.0, , 0.0, 0.0, 0.436364114284515, , 0.0, , , 0.130977600812912, 0.0, , 0.0515258498489857, 1.0, , 0.0, 
-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, 3.0, 2.67269611358643, 0.0, 0.0, 0.0, 0.0, 3.03934264183044, 0.0, 3.90695214271545 3.90695214271545, 1.84601128101349 1.84601128101349, 0.0, 7.42279386520386 7.42279386520386, 2.50292420387268 2.50292420387268, 0.0, 7.93607807159424 7.93607807159424, 0.0, 0.0, 0.0, 2.28084921836853 2.28084921836853, 0.0, 0.0, 29.0, 12.3449354171753, 0.0, 0.0, 0.345757186412811, 17.0, 7.48443508148193, 0.0, 0.0, -0.207821100950241, 0.0, 3.0, 6.80529308319092, 0.0, 5.08746290206909, 0.177105411887169, 1.35082602500916, 0.0, 0.0, 3.0625, 6.53431987762451, 0.0, 0.0, 0.655185341835022, -0.282187759876251, 0.0680413842201233, 0.0, 0.0, 5.59839677810669, 0.0, 3.62324571609497, 0.139753714203835, 0.70412415266037, 4.94639730453491, 0.0, 3.44513130187988, 0.144337564706802, 3.0, 2.32439947128296, 0.0, 1.19055080413818, 999.0009765625, 1.78029310703278, 0.0, 0.0, 0.0, 0.0, 0.470672875642776, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 817.059997558594, 0.0125000001862645, 0.0, 0.0369551926851273, 1935228928.0, 1.0, 0.0, 0.0, 0.0, 100.099998474121, 0.0, 1.0, 0.999000012874603, 0.0, 0.5, 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 16000000000.0, 0.0, 0.0, 0.0481125228106976, 0.0, 0.206136032938957, 0.0, 0.0, 0.0, 1.31037068367004, 3.0, 0.0, 0.0, 4.22385740280151, 0.0, 0.0, 0.0, 0.0, , 1.65096366405487, 0.0, 28.0604515075684, 0.0, 18.9987106323242, 78.0, 1152.291015625, 0.0, 1.0, 0.0, 0.0, 10.2650566101074, 0.0, 29.6904029846191, 0.25, 1327.97204589844, 0.0, 0.0, 5.77244710922241, 35.9934196472168, 0.0, 0.741279900074005, 0.0, 1884.35693359375, 0.0, 0.0, 4.32136821746826, 0.0, 38.6536483764648, 0.0510310381650925, , 2085.41870117188, 3.25481605529785, 0.0, 0.247892439365387, 1581.49328613281, 2.14066171646118, 0.0, 3.0, 0.0, 0.0462905988097191, 0.0, 1.04178655147552, 1.0, 0.0, 0.0, 0.0, 0.636799693107605, 0.0, 0.0, 0.135735049843788, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H10Cl2N2O%2Fc1-13%282%299%2814%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C1-2H3%2C%28H%2C12%2C14%29, 0.0, 2.40685200691223, , , , , 0.0, 3.0, 2.66405010223389 2.66405010223389, 1.16583096981049 1.16583096981049, , 2.31010174751282 2.31010174751282, 0.832568526268005 0.832568526268005, , 3.23732423782349 3.23732423782349, , 0.0, 0.0, 0.961604595184326 0.961604595184326, 0.0, 0.0, 18.0, 10.7151784896851, 0.0, , 0.311662077903748, 12.0714282989502, 6.50290775299072, 0.0, , -0.225514128804207, , 1.0, 5.18559551239014, , 4.80735492706299, 0.166199326515198, 1.24456429481506, 0.0, , 3.59183669090271, 6.09064865112305, , 0.0, 0.5, -0.125528410077095, 0.0, , , 4.54996919631958, , 1.12924325466156, 0.0186141412705183, 0.402368932962418, 2.67107915878296, 0.0, 1.8685519695282, 0.0, 0.0, 2.12895488739014, 0.0, 0.0, 1.0, 1.23252642154694, , , 0.0, , 0.735593199729919, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 394.049987792969, 0.0240562614053488, 0.0, 0.0653127580881119, 170.0, , 0.0, , , 35.8300018310547, 0.0, 0.0, 0.5, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.5, 0.0, , , 321.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.184195280075073, , 0.0, 0.0, 1.65096366405487, 6.0, , , 6.4474196434021, , 1.0, , 0.0, , 0.0, , 30.9199523925781, , 19.0664920806885, 66.0, 851.107299804688, 0.0, 0.0, , 0.0, 9.34147834777832, , 28.6062393188477, 0.0, 937.197570800781, , 0.0, 4.66078186035156, 35.3469047546387, , 0.670190572738647, 0.0, 1199.36389160156, , 0.0, 3.71904253959656, , 19.508487701416, 0.0, , 1064.66394042969, 2.27131295204163, , 0.151864215731621, 714.386352539062, 1.06239056587219, , 2.0, , 0.0, 0.0, 0.713097870349884, , 0.0, , , 0.335849225521088, 0.0, , 0.168016538023949, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H14O%2Fc1-3-4-5-6-7%282%298%2Fh3-6H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.102062076330185 0.102062076330185, 0.0, 0.20412415266037 0.20412415266037, 0.0721687823534012 0.0721687823534012, 0.0, 0.144337564706802 0.144337564706802, 0.0, 0.0, 0.0, 0.0510310381650925 0.0510310381650925, 0.0, 0.0, 5.0, 6.40577745437622, 0.0, 0.0, 0.121041655540466, 8.0, 3.77005553245544, 0.0, 0.0, -0.0234891343861818, 0.0, 1.0, 5.14285707473755, 0.0, 4.0, -0.0351925380527973, 0.40824830532074, 0.0, 0.0, 7.19999980926514, 2.88962864875793, 0.0, 0.0, 0.16666667163372, -0.00172985868994147, 0.0, 0.0, 0.0, 1.38502776622772, 0.0, 2.95573782920837, -0.00010606279829517, 0.0, 0.80258584022522, 0.0, 0.894427180290222, 0.0, 4.0, 0.433012694120407, 0.0, 0.0, 1.0, 0.288675129413605, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 385.010009765625, 0.0, 0.0, 0.0, 65.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 79.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 3.96540641784668, 4.0, 0.0, 0.0, 1.80720400810242, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 8.77446937561035, 0.0, 7.33209180831909, 28.0, 297.102661132812, 0.0, 0.0, 0.0, 0.0, 5.73667526245117, 0.0, 7.66418409347534, 0.0, 277.687622070312, 0.0, 0.0, 3.26478433609009, 5.33209180831909, 0.0, 0.144337564706802, 0.0, 260.008972167969, 0.0, 0.0, 2.15912199020386, 0.0, 4.33209180831909, 0.0, , 190.214294433594, 1.13239216804504, 0.0, 0.0, 139.993743896484, 0.623945474624634, 0.0, 2.0, 0.0, 0.0, 0.0, 0.301031023263931, 0.0, 0.0, 0.0, 0.0, 0.176031038165092, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H12O%2Fc1-8%282%2910-5-3-9%287-11%294-6-10%2Fh3-8H%2C1-2H3, 2.0, 1.31037068367004, , , , , 0.0, 2.0, 1.53323936462402 1.53323936462402, 0.787289381027222 0.787289381027222, , 1.58155786991119 1.58155786991119, 0.635294377803802 0.635294377803802, , 1.48758697509766 1.48758697509766, , 0.0, 0.0, 0.533577799797058 0.533577799797058, 0.0, 0.0, 13.0, 8.26758480072021, 0.0, , 0.130902960896492, 9.09090900421143, 5.23638200759888, 0.0, , -0.0452884621918201, , 0.0, 4.13265323638916, , 4.45943164825439, -0.0154840378090739, 0.70412415266037, 0.0, , 2.5, 4.43307065963745, , 0.0, 0.5, -0.00440491642802954, 0.0, , , 3.41157078742981, , 2.58640933036804, -0.00026632467051968, 0.16666667163372, 2.26314687728882, 0.0, 2.78495335578918, 0.0, 0.0, 1.55943465232849, 0.0, 0.0, 0.75, 1.06115663051605, , , 0.0, , 0.582466721534729, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 419.010009765625, 0.0277777779847383, 0.0, 0.0320750139653683, 113.0, , 0.0, , , 17.0699996948242, 1.0, 3.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 162.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.107038088142872, , 0.0, 0.0, 4.88359355926514, 4.0, , , 8.04132747650146, , 0.0, , 0.0, , 0.0, , 11.7744693756104, , 11.3320922851562, 50.0, 576.357177734375, 0.0, 1.0, , 0.0, 6.87234973907471, , 14.3320922851562, 0.0, 627.252624511719, , 0.0, 3.78912019729614, 13.6641836166382, , 0.481125235557556, 0.0, 778.275756835938, , 0.0, 2.93921828269958, , 8.66418361663818, 0.0, , 660.813903808594, 1.73921644687653, , 0.0962250456213951, 365.826873779297, 0.959478914737701, , 2.0, , 0.0, 0.0, 0.565067112445831, , 0.0, , , 0.331733167171478, 0.0, , 0.122605517506599, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H4FNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H, 0.0, 0.333333343267441, , , , , 0.0, 2.0, 1.44868838787079 1.44868838787079, 0.262696802616119 0.262696802616119, , 1.40419375896454 1.40419375896454, 0.220364063978195 0.220364063978195, , 1.49826681613922 1.49826681613922, , 0.0, 0.0, 0.186119854450226 0.186119854450226, 0.0, 0.0, 11.0, 7.56047773361206, 0.0, , 0.151175886392593, 8.10000038146973, 4.69837713241577, 0.0, , -0.0157660096883774, , 0.0, 3.40828394889832, , 4.32192802429199, -0.0167743638157845, 0.788675129413605, 0.0, , 2.28571438789368, 4.26396894454956, , 0.0, 0.0, -0.00121164368465543, 0.0, , , 3.00332260131836, , 0.0, -0.0545027777552605, 0.16666667163372, 1.95252978801727, 0.0, 0.0, 0.0, 0.0, 1.44913530349731, 0.0, 0.0, 1.0, 0.919957399368286, , , 0.0, , 0.19245009124279, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 106.040000915527, 0.0277777779847383, 0.0, 0.0229216124862432, 88.0, , 0.0, , , 45.8199996948242, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 120.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, , 0.0, 0.0, 3.30192732810974, 6.0, , , 5.65685415267944, , , , 0.0, , 0.0, , 13.4109706878662, , 11.8549022674561, 46.0, 338.637329101562, 0.0, 0.0, , 0.0, 4.95107555389404, , 15.9345941543579, 0.5, 371.591827392578, , 0.0, 2.59910464286804, 13.8243083953857, , 0.174797475337982, 0.0, 456.209167480469, , 0.0, 1.73352658748627, , 8.07633781433105, 0.0, , 352.305053710938, 1.03744471073151, , 0.0124225998297334, 153.523284912109, 0.562807023525238, , 0.0, , 0.0, 0.0, 0.335099339485168, , 0.0, , , 0.103981830179691, 0.0, , 0.0202860198915005, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC4Cl6%2Fc5-1%283%287%298%292%286%294%289%2910, 0.0, 3.96540641784668, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.42848968505859 2.42848968505859, 2.15638256072998 2.15638256072998, 0.0, 2.26581168174744 2.26581168174744, 1.89696860313416 1.89696860313416, 0.0, 2.60712242126465 2.60712242126465, 0.0, 0.0, 0.0, 2.23559403419495 2.23559403419495, 0.0, 0.0, 12.0, 8.309401512146, 0.0, 0.0, 0.195325762033463, 10.0, 4.46410179138184, 0.0, 0.0, -0.0433839522302151, 0.0, 4.0, 4.0, 0.0, 4.32192802429199, -0.0667404532432556, 1.05156683921814, 0.0, 0.0, 3.11111116409302, 4.20626735687256, 0.0, 0.0, 0.0, -0.00285590719431639, 0.0, 0.0, 0.0, 2.93247842788696, 0.0, 0.0, -0.0309224259108305, 0.496011286973953, 1.2142448425293, 0.0, 0.0, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0600004196167, 0.0, 0.0, 0.0, 70.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 121.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 56.2765197753906, 0.0, 20.7104244232178, 42.0, 849.533142089844, 0.0, 0.0, 0.0, 0.0, 8.80336093902588, 0.0, 43.0394058227539, 0.0, 898.04638671875, 0.0, 0.0, 4.15168046951294, 62.2741928100586, 0.0, 0.926330506801605, 0.0, 1062.17541503906, 0.0, 0.0, 3.80350112915039, 0.0, 46.6579627990723, 0.0, , 919.217224121094, 2.5200629234314, 0.0, 0.444822877645493, 542.155151367188, 0.926330506801605, 0.0, 0.0, 0.0, 0.0, 0.0, 0.321428567171097, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H19O2PS3%2Fc1-4-9-11%2812%2C10-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3, 8.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.43566012382507 1.43566012382507, 3.29203581809998 3.29203581809998, 0.0, 2.31066012382507 2.31066012382507, 4.97582483291626 4.97582483291626, 0.0, 1.73299515247345 1.73299515247345, 0.0, 0.0, 0.0, 4.23374700546265 4.23374700546265, 0.0, 0.5, 15.0, 10.8639612197876, 0.0, 0.0, 0.323851048946381, 14.0, 6.6819806098938, 0.0, 0.0, -0.247291162610054, 0.0, 0.0, 8.31999969482422, 0.0, 4.80735492706299, 0.179173097014427, 0.926776707172394, 0.0, 0.0, 7.03999996185303, 5.12132024765015, 0.0, 0.0, 0.381571412086487, -0.112907931208611, 0.176776692271233, 0.0, 0.0, 3.3409903049469, 0.0, 3.74262523651123, -0.0558276250958443, 0.0, 2.56066012382507, 0.0, 0.0, 0.0, 5.0, 1.24371838569641, 0.0, 0.0, 0.800000011920929, 0.728553414344788, 0.0, 0.0, 0.0, 0.0, 0.426776707172394, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 842.059997558594, 0.0, 0.0, 0.0, 180.0, 1.0, 0.0, 0.0, 0.0, 110.959999084473, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 356.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70865225791931, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 2.0, 39.5826110839844, 0.0, 35.3139381408691, 56.0, 974.154479980469, 0.0, 0.0, 0.0, 0.0, 12.3679056167603, 0.0, 42.5378799438477, 0.0, 1006.76617431641, 0.0, 0.0, 10.1785268783569, 35.5415649414062, 0.0, 2.19089031219482, 0.0, 1127.88452148438, 2.0, 0.0, 10.1363344192505, 0.0, 32.2320251464844, 0.335410207509995, , 1077.31469726562, 7.97686815261841, 0.0, 0.0, 950.176452636719, 6.64284229278564, 0.0, 3.0, 0.0, 0.0, 0.0, 4.66457080841064, 0.0, 0.0, 0.0, 0.0, 3.33097386360168, 0.0, 0.0, 2.44410824775696, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H18O%2Fc1-9%282%298-4-6-10%283%2C11-9%297-5-8%2Fh8H%2C4-7H2%2C1-3H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.15470051765442, 0.0, 3.25685596466064 3.25685596466064, 2.41060328483582 2.41060328483582, 0.0, 5.35204410552979 5.35204410552979, 3.5973014831543 3.5973014831543, 0.0, 6.70903396606445 6.70903396606445, 0.0, 0.0, 0.0, 4.37629842758179 4.37629842758179, 0.0, 0.0, 16.0, 8.11288452148438, 0.0, 0.0, 0.154349341988564, 7.63888883590698, 5.01938533782959, 0.0, 0.0, -0.0509550981223583, 0.0, 0.0, 2.02500009536743, 0.0, 4.45943164825439, -0.0452691540122032, 2.12159109115601, 0.0, 0.0, 1.11111116409302, 5.75029182434082, 0.0, 0.0, 0.944940805435181, 0.0132318278774619, 0.380900830030441, 0.0, 0.0, 4.18026924133301, 0.0, 3.88832259178162, 0.00581775000318885, 0.348461717367172, 3.5172643661499, 0.0, 1.19055080413818, 0.102062076330185, 4.0, 2.52887463569641, 0.0, 3.46410155296326, 0.333333343267441, 1.71241521835327, 0.0, 0.0, 0.0, 0.0, 0.441768229007721, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 790.010009765625, 0.131094351410866, 0.0, 0.397825986146927, 82.0, 0.0, 0.0, 0.0, 0.0, 9.22999954223633, 0.0, 3.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 128.0, 0.0, 0.0, 0.174230858683586, 0.0, 0.609807968139648, 0.0, 0.0, 0.0, 3.30192732810974, 4.0, 0.0, 0.0, 2.82842707633972, 0.0, 0.0, 0.0, 0.0, , 4.29827976226807, 1.0, 11.7744693756104, 0.0, 12.6641836166382, 64.0, 716.281799316406, 0.0, 1.0, 0.0, 0.0, 7.81402587890625, 0.0, 21.9925518035889, 0.0, 853.23583984375, 0.0, 0.0, 4.72052669525146, 16.6641845703125, 0.0, 1.51357626914978, 0.0, 1303.12097167969, 0.0, 0.0, 4.92969131469727, 0.0, 7.0, 0.219913199543953, , 1003.68017578125, 3.535888671875, 0.0, 0.262188702821732, 359.346008300781, 2.74410462379456, 0.0, 3.0, 0.0, 0.0589255653321743, 0.0, 1.95548141002655, 0.0, 0.0, 0.0, 0.0, 1.28845119476318, 0.0, 0.0, 0.31605926156044, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H11NO%2Fc15-11-14%2812-7-3-1-4-8-12%2913-9-5-2-6-10-13%2Fh1-11H, 0.0, 0.5, , , , , 0.0, 2.0, 1.42053985595703 1.42053985595703, 0.508158028125763 0.508158028125763, , 2.54259777069092 2.54259777069092, 0.688711643218994 0.688711643218994, , 3.22885179519653 3.22885179519653, , 0.0, 0.0, 0.725045442581177 0.725045442581177, 0.0, 0.0, 20.0, 10.5102252960205, 0.0, , 0.212159603834152, 11.484375, 7.41501474380493, 0.0, , -0.163832396268845, , 0.0, 5.91499996185303, , 4.90689039230347, 0.0865716189146042, 0.469416111707687, 0.0, , 2.98224854469299, 5.86828327178955, , 0.0, 0.0, -0.0127397673204541, 0.0, , , 4.98206186294556, , 0.0, -0.01474279910326, 0.136082768440247, 4.17620515823364, 0.0, 0.0, 0.0, 0.0, 3.17931270599365, 0.0, 0.0, 1.0, 1.574538230896, , , 0.0, , 1.08278274536133, 10.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 519.02001953125, 0.0641500279307365, 0.0, 0.0286887660622597, 194.0, , 0.0, , , 20.3099994659424, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 364.0, 0.0, 0.0, 0.20412415266037, 0.0, 0.117851130664349, , 0.0, 0.0, 16.6514511108398, 12.0, , , 9.06131935119629, , , , 0.0, , 0.0, , 16.1344566345215, , 16.8306484222412, 72.0, 891.723876953125, 0.0, 0.0, , 0.0, 8.20631504058838, , 21.2182064056396, 0.0, 1008.93151855469, , 0.0, 4.76248216629028, 21.3289241790771, , 0.213620916008949, 0.0, 1294.48803710938, , 0.0, 3.14650988578796, , 19.660737991333, 0.0, , 1241.92736816406, 2.17413783073425, , 0.0430331490933895, 989.300842285156, 1.44797933101654, , 0.0, , 0.0, 0.0, 0.912133514881134, , 0.0, , , 0.354088693857193, 0.0, , 0.199995040893555, 0.0, 0.0, 0.0, 
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-InChI%3D1S%2FC8H11N%2Fc1-3-8-5-4-7%282%299-6-8%2Fh4-6H%2C3H2%2C1-2H3, 3.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.901047587394714 0.901047587394714, 0.387668341398239 0.387668341398239, 0.0, 0.937443673610687 0.937443673610687, 0.32911679148674 0.32911679148674, 0.0, 1.06903564929962 1.06903564929962, 0.0, 0.0, 0.0, 0.320374995470047 0.320374995470047, 0.0, 0.0, 9.0, 6.69023466110229, 0.0, 0.0, 0.0622902475297451, 7.11111116409302, 4.3256983757019, 0.0, 0.0, -0.0311148185282946, 0.0, 0.0, 3.23966932296753, 0.0, 4.16992521286011, -0.0041084922850132, 0.492799282073975, 0.0, 0.0, 2.0, 3.53414583206177, 0.0, 0.0, 0.16666667163372, 0.00362364947795868, 0.0, 0.0, 0.0, 2.7127788066864, 0.0, 2.91253972053528, 0.000423306511947885, 0.0, 1.73736357688904, 0.0, 1.59054148197174, 0.0, 1.0, 1.37377345561981, 0.0, 0.0, 1.0, 0.686886727809906, 0.0, 0.0, 0.0, 0.0, 0.117851130664349, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 328.010009765625, 0.0215165745466948, 0.0, 0.0367310903966427, 77.0, 0.0, 0.0, 0.0, 0.0, 12.8900003433228, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 90.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, 0.0, 1.0, 0.0, 2.94168281555176, 4.0, 0.0, 0.0, 5.18735837936401, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 9.35998821258545, 0.0, 9.33237075805664, 40.0, 437.052001953125, 0.0, 0.0, 0.0, 0.0, 5.88637113571167, 0.0, 11.498556137085, 0.0, 462.018280029297, 0.0, 0.0, 3.24182462692261, 9.33237075805664, 0.0, 0.246950581669807, 0.0, 550.716979980469, 0.0, 0.0, 2.16138195991516, 0.0, 4.16618537902832, 0.0, , 423.47314453125, 1.38086748123169, 0.0, 0.0, 174.719146728516, 0.70757257938385, 0.0, 2.0, 0.0, 0.0, 0.0, 0.476322621107101, 0.0, 0.0, 0.0, 0.0, 0.230735912919044, 0.0, 0.0, 0.0304290316998959, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 1.0, 0.0, 0.0596734099090099, 4.0, 1.73205077648163, 0.0, 0.0, -0.0337235257029533, 0.0, 0.0, 1.33333337306976, 0.0, 3.0, 0.0038868214469403, 0.577350258827209, 0.0, 0.0, , 1.73205077648163, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 109.019996643066, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0, 0.0, 29.2600002288818, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 4.71997594833374, 0.0, 3.69235849380493, 12.0, 103.269302368164, 0.0, 0.0, 0.0, 0.0, 3.02456378936768, 0.0, 3.33237051963806, 0.0, 84.2656784057617, 0.0, 1.0, 1.15262603759766, 0.0, 0.0, 0.258198887109756, 0.0, 68.8070449829102, 0.0, 0.0, 0.963611364364624, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H16O%2Fc1-5-9%284%2C10%297-6-8%282%293%2Fh1%2C8%2C10H%2C6-7H2%2C2-4H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 1.74578189849854 1.74578189849854, 0.793635547161102 0.793635547161102, 0.0, 1.27312934398651 1.27312934398651, 0.519319832324982 0.519319832324982, 0.0, 1.39384686946869 1.39384686946869, 0.0, 0.0, 0.0, 0.71161824464798 0.71161824464798, 0.0, 0.0, 9.0, 8.19867038726807, 0.0, 0.0, 0.0844341218471527, 10.0, 4.47716236114502, 1.0, 0.0, -0.0301464945077896, 0.0, 0.0, 4.0, 0.0, 4.32192802429199, -0.0126842586323619, 1.61535501480103, 0.0, 0.0, 5.53086423873901, 4.45028877258301, 0.0, 0.0, 1.43247032165527, 0.000686282524839044, 0.25, 0.0, 0.0, 2.35557126998901, 0.0, 4.49915361404419, -7.02377146808431e-05, 0.0, 0.856189012527466, 0.0, 1.89148318767548, 0.0, 2.0, 0.883536458015442, 0.0, 1.68179285526276, 1.0, 0.20412415266037, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 535.010009765625, 0.0, 0.0, 0.0, 83.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 131.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.65096366405487, 2.0, 0.0, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, , 2.38110160827637, 0.0, 10.7744693756104, 0.0, 9.33209228515625, 42.0, 459.172515869141, 0.0, 1.0, 0.0, 0.0, 7.01612758636475, 0.0, 12.9962759017944, 0.0, 467.463012695312, 0.0, 0.0, 3.67878413200378, 9.66418361663818, 0.0, 0.933999180793762, 0.0, 549.5869140625, 0.0, 0.0, 3.3507137298584, 0.0, 6.33209180831909, 0.079056940972805, , 396.225341796875, 1.51944065093994, 0.0, 0.0, 276.602081298828, 0.64190000295639, 0.0, 3.0, 0.0, 0.0, 0.0, 0.603778839111328, 1.0, 1.0, 0.0, 0.0, 0.0833333358168602, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H10%2Fc1-7-5-3-4-6-8%287%292%2Fh3-6H%2C1-2H3, 2.0, 1.0, , , , , 0.0, 2.0, 1.13807117938995 1.13807117938995, 0.622008442878723 0.622008442878723, , 1.04044008255005 1.04044008255005, 0.455341815948486 0.455341815948486, , 1.13807117938995 1.13807117938995, , 0.0, 0.0, 0.414672315120697 0.414672315120697, 0.0, 0.0, 8.0, 5.98312759399414, 0.0, , 0.0, 6.125, 3.80453038215637, 0.0, , 0.0, , 0.0, 2.51999998092651, , 4.0, 0.0, 0.471404522657394, , , 1.48760330677032, 3.23902487754822, , 0.0, 0.333333343267441, 0.0, 0.0, , , 2.54033637046814, , 2.74635624885559, 0.0, 0.16666667163372, 1.50166130065918, 0.0, 2.82842707633972, 0.0, 0.0, 1.02437734603882, 0.0, 0.0, 0.333333343267441, 0.333333343267441, , , 0.0, , 0.0833333358168602, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 268.0, 0.0277777779847383, 0.0, 0.0555555559694767, 54.0, , 0.0, , , 0.0, 0.0, 2.0, 0.25, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 60.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, , , , 3.96540641784668, 4.0, , , 4.29827976226807, , , , 0.0, , 0.0, , 8.0, , 8.0, 36.0, 399.649078369141, 0.0, 0.0, , 0.0, 5.30940103530884, , 10.0, 0.0, 423.440002441406, , 0.0, 2.8273503780365, 8.0, , 0.288675129413605, 0.0, 508.863311767578, , 0.0, 2.08425903320312, , 2.0, 0.0, , 366.935913085938, 1.42556965351105, , 0.0833333358168602, 81.6880569458008, 0.662677943706512, , 2.0, , 0.0, 0.0, 0.374002814292908, , 0.0, , , 0.111111111938953, 0.0, , 0.0277777779847383, 0.0, , 0.0, 
-InChI%3D1S%2FC12H10OS%2Fc13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H, 0.0, 0.5, , , , , 0.0, 2.0, 1.54151904582977 1.54151904582977, 0.800647616386414 0.800647616386414, , 2.28553605079651 2.28553605079651, 0.995038092136383 0.995038092136383, , 2.983478307724 2.983478307724, , 0.0, 0.0, 1.05126786231995 1.05126786231995, 0.0, 0.0, 18.0, 9.80311870574951, 0.0, , 0.0814065262675285, 10.5155553817749, 6.87700986862183, 0.0, , 0.00054282828932628, , 0.0, 5.18559551239014, , 4.80735492706299, -0.0318547785282135, 0.52578341960907, 0.0, , 2.75, 5.65529680252075, , 0.0, 0.0, -0.00951485335826874, 0.0, , , 4.78679990768433, , 0.0, 2.80936383205699e-05, 0.19245009124279, 3.70480060577393, 0.0, 0.0, 0.0, 0.0, 2.8459792137146, 0.0, 0.0, 1.0, 1.33883595466614, , , 0.0, , 0.916116058826447, 10.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 443.019989013672, 0.0641500279307365, 0.0, 0.0556251294910908, 183.0, , 0.0, , , 36.2799987792969, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 307.0, 0.0, 0.0, 0.20412415266037, 0.0, 0.117851130664349, , 0.0, 0.0, 13.9952611923218, 12.0, , , 8.07939052581787, , 0.0, , 0.0, , 0.0, , 20.9022216796875, , 20.8959693908691, 68.0, 1068.56359863281, 0.0, 0.0, , 0.0, 8.04886054992676, , 26.3433246612549, 0.0, 1207.08374023438, , 0.0, 5.04247331619263, 26.0075092315674, , 0.377535700798035, 0.0, 1542.42736816406, , 0.0, 3.72672653198242, , 18.6679382324219, 0.0, , 1419.36779785156, 2.70170378684998, , 0.0589993596076965, 1030.66931152344, 1.83167719841003, , 0.0, , 0.0, 0.0, 1.21447062492371, , 0.0, , , 0.575298309326172, 0.0, , 0.32354336977005, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC9H11NO%2Fc1-10%282%299-5-3-8%287-11%294-6-9%2Fh3-7H%2C1-2H3, 0.0, 0.333333343267441, , , , , 0.0, 2.0, 1.53323936462402 1.53323936462402, 0.64373117685318 0.64373117685318, , 1.58155786991119 1.58155786991119, 0.52207362651825 0.52207362651825, , 1.48758697509766 1.48758697509766, , 0.0, 0.0, 0.432879477739334 0.432879477739334, 0.0, 0.0, 13.0, 8.26758480072021, 0.0, , 0.22463196516037, 9.09090900421143, 5.23638200759888, 0.0, , -0.107130214571953, , 0.0, 4.13265323638916, , 4.45943164825439, -0.00211559399031103, 0.70412415266037, , , 2.5, 4.43307065963745, , 0.0, 0.5, 0.0062919189222157, 0.0, , , 3.41157078742981, , 2.58640933036804, -0.0121038937941194, 0.16666667163372, 2.26314687728882, 0.0, 1.26491105556488, 0.0, 0.0, 1.55943465232849, 0.0, 0.0, 0.75, 1.06115663051605, , , 0.0, , 0.582466721534729, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 374.019989013672, 0.0277777779847383, 0.0, 0.0284601077437401, 113.0, , 0.0, , , 20.3099994659424, 1.0, 1.0, 0.428571432828903, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 162.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.107038088142872, , , , 4.88359355926514, 5.0, , , 6.59753942489624, , , , 0.0, , 0.0, , 12.1344566345215, , 11.8306474685669, 50.0, 559.388549804688, 0.0, 0.0, , 0.0, 6.74221324920654, , 14.6644620895386, 0.0, 608.65576171875, , 0.0, 3.46377849578857, 13.9965543746948, , 0.394367456436157, 0.0, 757.048583984375, , 0.0, 2.60381054878235, , 8.8303689956665, 0.0, , 642.791320800781, 1.5455687046051, , 0.0745356008410454, 355.121734619141, 0.85103166103363, , 2.0, , 0.0, 0.0, 0.496643424034119, , 0.0, , , 0.269301474094391, 0.0, , 0.0979213863611221, 1.0, , 0.0, 
-InChI%3D1S%2FHN3.Na%2Fc1-3-2%3B%2Fh1H%3B%2Fq-1%3B%2B1, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.5, 0.0 0.0, 2.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.00289858062751591, 9.0, 1.41421353816986, 0.0, 0.0, -0.00120552268344909, 0.0, 0.0, 12.0, 0.0, 3.0, -0.000243767673964612, 0.0, 0.0, 0.0, , 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.03999996185303, 0.0, 0.0, 0.0, -294967296.0, 0.0, 0.0, 0.0, 0.0, 38.3800010681152, 0.0, 0.0, 0.999000012874603, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3000000000.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.74374914169312, 0.0, 2.71997618675232, 6.0, 32.0300483703613, 0.0, 0.0, 0.0, 0.0, 1.02456390857697, 0.0, 1.35998809337616, 0.0, 22.0020027160645, 0.0, 1.0, 0.258198887109756, 0.0, 0.0, 0.0, 0.0, 9.55810642242432, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H8O%2Fc1-3-7-11-9%285-1%2910-6-2-4-8-12%2810%2913-11%2Fh1-8H, 0.0, 4.24264049530029, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.78323984146118 1.78323984146118, 0.63502824306488 0.63502824306488, 0.0, 3.26907587051392 3.26907587051392, 0.946447789669037 0.946447789669037, 0.0, 4.51325750350952 4.51325750350952, 0.0, 0.0, 0.0, 1.06214082241058 1.06214082241058, 0.0, 0.0, 19.0, 8.67336177825928, 0.0, 0.0, 0.158970788121223, 8.31999969482422, 6.44948959350586, 0.0, 0.0, -0.067572645843029, 0.0, 0.0, 3.2925169467926, 0.0, 4.70043992996216, -0.0196494478732347, 0.605498850345612, 0.0, 0.0, 1.33333337306976, 5.65248489379883, 0.0, 0.0, 0.0, 0.00585023313760757, 0.0, 0.0, 0.0, 5.09118461608887, 0.0, 0.0, 0.00170069804880768, 0.191638320684433, 4.57416725158691, 0.0, 0.0, 0.0, 0.0, 3.82056403160095, 0.0, 0.0, 0.5, 2.41376352310181, 0.0, 0.0, 0.0, 0.0, 1.75953793525696, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0255155190825462, 0.0, 0.0, 373.010009765625, 0.114481121301651, 0.0, 0.135509967803955, 144.0, 0.0, 0.0, 0.0, 0.0, 13.1400003433228, 0.0, 2.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 219.0, 0.0785674229264259, 0.0, 0.388888895511627, 0.0, 0.606913268566132, 0.0, 0.0, 0.0, 9.71420001983643, 10.0, 1.0, 0.0, 13.1604700088501, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 13.7744693756104, 0.0, 15.6641836166382, 72.0, 810.416870117188, 4.0, 0.0, 0.0, 0.0, 7.02705049514771, 0.0, 22.3283672332764, 0.0, 967.120849609375, 0.0, 0.0, 4.31294870376587, 20.3283672332764, 0.0, 0.262188702821732, 0.0, 1378.9345703125, 0.0, 0.0, 3.0943808555603, 0.0, 13.6641836166382, 0.0, , 1187.46081542969, 2.28420662879944, 0.0, 0.0548540242016315, 757.345520019531, 1.67476642131805, 0.0, 0.0, 0.0, 0.0, 0.0, 1.14431822299957, 0.0, 0.0, 0.0, 0.0, 0.572757482528687, 0.0, 0.0, 0.342233896255493, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H12N.ClH%2Fc1-5%282%2C3%294%3B%2Fh1-4H3%3B1H%2Fq%2B1%3B%2Fp-1, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.116607010364532, 9.375, 2.0, 0.0, 0.0, -0.0932856053113937, 0.0, 0.0, 2.22222232818604, 0.0, 3.58496260643005, 0.0349821038544178, 2.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 3.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 226.020004272461, 0.0, 0.0, 0.0, -589934592.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5000000000.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 14.0727415084839, 0.0, 4.66474103927612, 20.0, 198.248840332031, 0.0, 0.0, 1.0, 0.0, 5.707106590271, 0.0, 6.0, 0.0, 177.553100585938, 0.0, 0.0, 2.82842707633972, 0.0, 0.0, 2.82842707633972, 0.0, 200.849411010742, 0.0, 0.0, 4.24264049530029, 0.0, 0.0, 0.70710676908493, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H24N4%2Fc11-3-1-5-13-7-9-14%2810-8-13%296-2-4-12%2Fh1-12H2, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.866025388240814 0.866025388240814, 0.670820415019989 0.670820415019989, 0.0, 1.14982986450195 1.14982986450195, 0.832455515861511 0.832455515861511, 0.0, 1.43560826778412 1.43560826778412, 0.0, 0.0, 0.0909090936183929, 0.8805792927742 0.8805792927742, 0.0, 0.0, 15.0, 10.2257680892944, 0.755928933620453, 0.0, 0.251008808612823, 12.0714282989502, 6.86370325088501, 0.0, 0.0, -0.135843008756638, 0.0, 0.0, 7.3125, 0.0, 4.80735492706299, -0.06846883893013, 0.40824830532074, 0.0, 0.0, 4.88888883590698, 5.17120838165283, 0.0, 0.0, 0.0, 0.0499100051820278, 0.0, 0.0, 0.0, 3.89817810058594, 0.0, 0.0, 0.0844330415129662, 0.0, 2.79443311691284, 0.0, 0.0, 0.0, 10.0, 2.31893181800842, 0.0, 0.0, 0.833333313465118, 1.35105729103088, 0.0, 0.0, 0.0, 0.0, 0.819035589694977, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1262.0400390625, 0.0500000007450581, 0.0, 0.0707106813788414, 220.0, 0.0, 0.0, 0.0, 0.0, 58.5200004577637, 0.0, 0.0, 0.454545468091965, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 367.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.117851130664349, 0.0, 0.0, 0.0, 14.3451738357544, 2.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 15.4399518966675, 0.0, 15.3294820785522, 60.0, 775.592712402344, 0.0, 0.0, 0.0, 0.0, 9.12019538879395, 0.0, 17.3294811248779, 0.0, 823.873962402344, 0.0, 2.0, 5.71386337280273, 16.0247287750244, 0.0, 0.31622776389122, 0.0, 970.084289550781, 0.0, 0.0, 3.96773862838745, 0.0, 13.0523462295532, 0.0, , 887.898559570312, 2.82184267044067, 0.0, 0.0, 665.654907226562, 1.86629354953766, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 1.37442660331726, 0.0, 0.0, 0.0, 0.0, 0.748259603977203, 0.0, 0.0, 0.431649655103683, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H18N2O3.Na%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%3B%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29%3B%2Fq%3B%2B1%2Fp-1, 3.0, 2.67269611358643, 0.0, 0.0, 0.0, 0.0, 3.03934264183044, 0.0, 3.90695214271545 3.90695214271545, 1.76436161994934 1.76436161994934, 0.0, 7.42279386520386 7.42279386520386, 2.40301728248596 2.40301728248596, 0.0, 7.93607807159424 7.93607807159424, 0.0, 0.0, 0.0, 2.03700923919678 2.03700923919678, 0.0, 0.0, 29.0, 12.3449354171753, 0.0, 0.0, 0.482461780309677, 17.0, 7.48443508148193, 0.0, 0.0, -0.325257003307343, 0.0, 3.0, 6.80529308319092, 0.0, 5.08746290206909, 0.316541910171509, 1.35082602500916, 0.0, 0.0, 3.0625, 6.53431987762451, 0.0, 0.0, 0.655185341835022, -0.429565012454987, 0.0680413842201233, 0.0, 0.0, 5.59839677810669, 0.0, 3.62324571609497, 0.204774990677834, 0.70412415266037, 4.94639730453491, 0.0, 3.44513130187988, 0.144337564706802, 3.0, 2.32439947128296, 0.0, 1.19055080413818, 999.0009765625, 1.78029310703278, 0.0, 0.0, 0.0, 1.0, 0.470672875642776, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 817.059997558594, 0.0125000001862645, 0.0, 0.0267489869147539, 1935228928.0, 0.0, 0.0, 0.0, 0.0, 85.0800018310547, 0.0, 1.0, 0.999000012874603, 0.0, 0.5, 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 16000000000.0, 0.0, 0.0, 0.0481125228106976, 0.0, 0.206136032938957, 0.0, 0.0, 0.0, 1.31037068367004, 3.0, 0.0, 0.0, 4.22385740280151, 0.0, 0.0, 0.0, 0.0, , 1.65096366405487, 0.0, 22.7071685791016, 0.0, 17.6610164642334, 78.0, 959.0341796875, 0.0, 1.0, 0.0, 0.0, 9.44855976104736, 0.0, 26.570405960083, 0.75, 1108.70446777344, 0.0, 0.0, 5.36419868469238, 33.3180313110352, 0.0, 0.659630239009857, 0.0, 1572.98266601562, 0.0, 0.0, 3.95621991157532, 0.0, 33.7520942687988, 0.0510310381650925, , 1745.47399902344, 3.07224202156067, 0.0, 0.247892439365387, 1301.06066894531, 2.00854969024658, 0.0, 3.0, 0.0, 0.0462905988097191, 0.0, 0.878888666629791, 1.0, 0.0, 0.0, 0.0, 0.451658934354782, 0.0, 0.0, 0.10938274115324, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3H%2C%28H2%2C10%2C11%29, 0.0, 4.24264049530029, , , , , 0.0, 3.0, 1.86414384841919 1.86414384841919, 0.84531706571579 0.84531706571579, , 3.48024153709412 3.48024153709412, 1.25614786148071 1.25614786148071, , 3.38205671310425 3.38205671310425, , 0.0, 0.0, 1.02566778659821 1.02566778659821, 0.0, 0.0, 15.0, 8.43072128295898, 0.0, , 0.18563586473465, 9.09090900421143, 5.1258978843689, 0.0, , -0.0450936779379845, , 1.0, 3.59999990463257, , 4.45943164825439, 0.0172138940542936, 0.915848970413208, 0.0, , 1.9753086566925, 4.70683860778809, , 0.0, 0.0, -0.164401948451996, 0.0, , , 3.40286374092102, , 0.0, 0.100588269531727, 0.268245965242386, 3.02167391777039, 0.0, 0.0, 0.0, 0.0, 1.35738360881805, 0.0, 0.0, 0.666666686534882, 0.740749597549438, , , 0.0, , 0.235702261328697, 3.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 146.039993286133, 0.0240562614053488, 0.0, 0.0665826052427292, 83.0, , 0.0, , , 44.0800018310547, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 144.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.175366476178169, , 0.0, 0.0, 2.38110160827637, 5.0, , , 5.3686580657959, , 0.0, , 0.0, , 0.0, , 27.559965133667, , 15.4017524719238, 52.0, 686.434875488281, 0.0, 0.0, , 0.0, 6.94705104827881, , 23.8586921691895, 0.0, 769.510070800781, , 0.0, 3.60151720046997, 27.7069778442383, , 0.445728540420532, 0.0, 1002.55749511719, , 0.0, 2.75966572761536, , 35.3612976074219, 0.0, , 902.379516601562, 1.8295065164566, , 0.0958071351051331, 525.154418945312, 1.30049479007721, , 0.0, , 0.0, 0.0, 0.474984616041183, , 0.0, , , 0.240596994757652, 0.0, , 0.0500636547803879, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H2Cl2N2O4%2Fc7-3-1-4%288%296%2810%2813%2914%292-5%283%299%2811%2912%2Fh1-2H, 0.0, 3.30192732810974, , , , , 0.0, 4.0, 2.9000506401062 2.9000506401062, 0.970211207866669 0.970211207866669, , 4.24919939041138 4.24919939041138, 1.17635309696198 1.17635309696198, , 4.94863319396973 4.94863319396973, , 0.0, 0.0, 1.20788431167603 1.20788431167603, 0.0, 0.0, 21.0, 10.8783149719238, 0.0, , 0.242731064558029, 12.0714282989502, 6.43042802810669, 0.0, , 0.0428073592483997, , 0.0, 4.67999982833862, , 4.80735492706299, -0.035278245806694, 1.41023671627045, 0.0, , 2.75, 6.24171543121338, , 0.0, 0.0, -0.111535347998142, 0.0, , , 4.46231412887573, , 0.0, -0.0681125745177269, 0.464615613222122, 3.57336783409119, 0.0, 0.0, 0.0, 0.0, 2.14182996749878, 0.0, 0.0, 1.0, 1.80175375938416, , , 0.0, , 0.425506711006165, 2.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 74.0800018310547, 0.020833333954215, 0.0, 0.0658794566988945, 134.0, , 0.0, , , 91.6399993896484, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 287.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.17526113986969, , 0.0, 0.0, 0.333333343267441, 6.0, , , 5.65685415267944, , 0.0, , 0.0, , 0.0, , 33.2433586120605, , 20.4497089385986, 68.0, 699.794738769531, 0.0, 0.0, , 0.0, 7.9499077796936, , 31.3489971160889, 1.44224953651428, 805.670104980469, , 0.0, 3.96610426902771, 37.0129699707031, , 0.530961871147156, 0.0, 1092.64624023438, , 0.0, 3.08365106582642, , 44.6932640075684, 0.0, , 1042.25927734375, 2.01513338088989, , 0.106031998991966, 684.766235351562, 1.3275443315506, , 0.0, , 0.0, 0.25, 0.669800221920013, , 0.0, , , 0.380919218063354, 0.0, , 0.0633430033922195, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H5NO%2Fc8-5-6-2-1-3-7-4-6%2Fh1-5H, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.492799282073975 0.492799282073975, 0.137872412800789 0.137872412800789, 0.0, 0.594861328601837 0.594861328601837, 0.122014082968235 0.122014082968235, 0.0, 0.492799282073975 0.492799282073975, 0.0, 0.0, 0.0, 0.0806151106953621 0.0806151106953621, 0.0, 0.0, 7.0, 5.81999111175537, 0.0, 0.0, 0.199141010642052, 6.125, 3.9318516254425, 0.0, 0.0, -0.072491854429245, 0.0, 0.0, 3.11111116409302, 0.0, 4.0, -0.0116695007309318, 0.20412415266037, 0.0, 0.0, 1.79999995231628, 2.91228413581848, 0.0, 0.0, 0.0, -0.065629854798317, 0.0, 0.0, 0.0, 2.30209517478943, 0.0, 0.0, 0.0758532956242561, 0.0, 1.59538793563843, 0.0, 0.0, 0.0, 0.0, 1.10517168045044, 0.0, 0.0, 0.666666686534882, 0.348461717367172, 0.0, 0.0, 0.0, 1.0, 0.144337564706802, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 113.019996643066, 0.0248451996594667, 0.0, 0.0143443830311298, 60.0, 0.0, 0.0, 0.0, 0.0, 29.9599990844727, 1.0, 1.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 64.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, 0.0, 1.0, 0.0, 4.94145393371582, 2.0, 0.0, 0.0, 3.49413561820984, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 9.13445663452148, 0.0, 8.66446208953857, 34.0, 308.562316894531, 0.0, 0.0, 0.0, 0.0, 4.24221324920654, 0.0, 9.66446208953857, 0.0, 325.175720214844, 0.0, 0.0, 2.28479218482971, 7.99655437469482, 0.0, 0.0962250456213951, 0.0, 364.787506103516, 0.0, 0.0, 1.40420973300934, 0.0, 3.88555788993835, 0.0, , 251.404815673828, 0.820497274398804, 0.0, 0.0, 81.5083770751953, 0.445679992437363, 0.0, 0.0, 0.0, 0.0, 0.0, 0.239010274410248, 0.0, 0.0, 0.0, 0.0, 0.0489747859537601, 0.0, 0.0, 0.0117121394723654, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H9NO3%2Fc14-13%2815%2910-6-8-12%289-7-10%2916-11-4-2-1-3-5-11%2Fh1-9H, 0.0, 0.965489387512207, , , , , 0.0, 3.0, 1.85349261760712 1.85349261760712, 0.415133714675903 0.415133714675903, , 2.2657356262207 2.2657356262207, 0.450136780738831 0.450136780738831, , 2.58970403671265 2.58970403671265, , 0.0, 0.0, 0.434214740991592 0.434214740991592, 0.0, 0.0, 20.0, 11.3804693222046, 0.0, , 0.224918261170387, 12.4567470550537, 7.75402021408081, 0.0, , -0.0582946613430977, , 0.0, 6.07438039779663, , 5.0, -0.0339781604707241, 0.90824830532074, 0.0, , 3.76923084259033, 6.76456069946289, , 0.0, 0.0, -0.00473331566900015, 0.0, , , 5.22563219070435, , 0.0, -0.0612881742417812, 0.16666667163372, 3.9848473072052, 0.0, 0.0, 0.0, 0.0, 3.10964512825012, 0.0, 0.0, 1.0, 1.85924303531647, , , 0.0, , 1.21756958961487, 9.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 0.0, 436.040008544922, 0.0598527938127518, 0.0, 0.0368574000895023, 259.0, , 0.0, , , 55.0499992370605, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 489.0, 0.0, 0.0, 0.185395404696465, 0.0, 0.179206877946854, , 0.0, 0.0, 11.3306121826172, 12.0, , , 10.1704950332642, , 0.0, , 0.0, , 0.0, , 18.6833953857422, , 18.9373016357422, 78.0, 776.751037597656, 0.0, 0.0, 0.0, 0.0, 8.36811065673828, , 25.0993919372559, 0.5, 870.105224609375, , 0.0, 4.72905445098877, 22.989107131958, , 0.247886165976524, 0.333333343267441, 1105.35046386719, , 0.0, 3.16612553596497, , 17.1587371826172, 0.0, , 984.257629394531, 2.02644681930542, , 0.0124225998297334, 720.509521484375, 1.26051509380341, , 0.0, , 0.0, 0.0, 0.80852085351944, , 0.0, , , 0.321238815784454, 0.0, , 0.172450825572014, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC12H10O%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10H, 0.0, 0.5, , , , , 0.0, 2.0, 0.813052535057068 0.813052535057068, 0.225176215171814 0.225176215171814, , 1.27903914451599 1.27903914451599, 0.293217599391937 0.293217599391937, , 1.57908487319946 1.57908487319946, , 0.0, 0.0, 0.297540485858917 0.297540485858917, 0.0, 0.0, 14.0, 8.93287467956543, 0.0, , 0.158970788121223, 9.55102062225342, 6.44948959350586, 0.0, , -0.0684593766927719, , 0.0, 5.02422142028809, , 4.70043992996216, -0.0266360398381948, 0.40824830532074, 0.0, , 3.0, 5.24377393722534, , 0.0, 0.0, 0.010298621840775, 0.0, , , 4.11615657806396, , 0.0, 0.00460384460166097, 0.0, 3.31708836555481, 0.0, 0.0, 0.0, 0.0, 2.63299322128296, 0.0, 0.0, 1.0, 1.23148417472839, , , 0.0, , 0.833333313465118, 10.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 420.010009765625, 0.0641500279307365, 0.0, 0.0261891391128302, 174.0, , 0.0, , , 9.22999954223633, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 264.0, 0.0, 0.0, 0.20412415266037, 0.0, 0.144337564706802, , 0.0, 0.0, 13.9952611923218, 12.0, , , 8.07939052581787, , 0.0, , 0.0, , 0.0, , 13.7744693756104, , 14.6641836166382, 62.0, 675.89208984375, 0.0, 0.0, 0.0, 0.0, 7.18175077438354, , 18.3283672332764, 0.0, 741.601379394531, , 0.0, 4.22961568832397, 15.3283681869507, , 0.136082768440247, 0.0, 903.987609863281, , 0.0, 2.72816705703735, , 10.6641836166382, 0.0, , 754.658752441406, 1.72211253643036, , 0.0, 536.088928222656, 1.11315596103668, , 0.0, , 0.0, 0.0, 0.711324274539948, , 0.0, , , 0.233821958303452, 0.0, , 0.130945697426796, 0.0, 0.0, 0.0, 
-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, 9.0, 3.53277564048767, 0.0, 0.0, 0.0, 0.0, 5.4989185333252, 4.0, 5.72875928878784 5.72875928878784, 3.57773566246033 3.57773566246033, , 7.95075654983521 7.95075654983521, 3.87333989143372 3.87333989143372, , 10.6129779815674 10.6129779815674, 0.0, 0.0, 0.0, 4.5959095954895 4.5959095954895, 0.0, 0.0, 31.0, 15.223614692688, 0.0, 0.0, 0.0750797763466835, 17.0526313781738, 8.24303531646729, 0.0, 0.0, -0.0243459865450859, 0.0, 0.0, 5.080078125, 0.0, 5.24792766571045, -0.0112260207533836, 4.67056608200073, 0.0, , 3.98615908622742, 10.3385066986084, , 0.0, 7.89644384384155, -0.00184562418144196, 0.866025388240814, , 0.0, 5.79574680328369, 0.0, 5.06059598922729, -0.000124452431919053, 1.27620220184326, 4.410560131073, 0.0, 11.0216674804688, 0.380039840936661, 0.0, 3.22750449180603, 0.0, 9.23387050628662, 0.5, 3.00311851501465, 0.0, , 0.0, 0.0, 0.935595393180847, 2.0, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 0.0, , 3.0, 2059.01000976562, 0.020833333954215, 0.0, 0.0405669510364532, 191.0, 0.0, 0.0, , , 20.2299995422363, 0.0, 3.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, , , 620.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.138888895511627, , 0.0, 0.0, 0.5, 3.0, 0.0, 0.0, 5.11154460906982, 0.0, 0.0, , 0.0, , 2.38110160827637, 0.0, 19.7744693756104, 0.0, 19.3320922851562, 102.0, 1498.01257324219, 0.0, 0.0, 0.0, 0.0, 14.1019144058228, 0.0, 32.6641845703125, 0.0, 1751.81396484375, , 0.0, 7.1283073425293, 32.328369140625, , 4.03357267379761, 0.0, 2616.07739257812, 0.0, 0.0, 8.6699743270874, 0.0, 33.3246421813965, 0.75, , 2576.81494140625, 3.59197068214417, , 0.715287566184998, 2413.17163085938, 2.21091055870056, 0.0, 9.0, , 0.227670907974243, 0.0, 1.61190354824066, 1.0, 0.0, , 0.0, 1.47869277000427, 0.0, , 0.367570132017136, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H14%2Fc1-3-5-6-4-2%2Fh3-6H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 4.8284273147583, 0.0, 0.0, 0.0, 6.0, 2.91421365737915, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 3.58496260643005, 0.0, 0.0, 0.0, 0.0, 5.33333349227905, 1.70710682868958, 0.0, 0.0, 0.200000002980232, 0.0, 0.0, 0.0, 0.0, 0.95710676908493, 0.0, 3.61440801620483, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 4.0, 0.25, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 331.0, 0.0, 0.0, 0.0, 38.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 35.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.96540641784668, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 6.0, 0.0, 5.0, 18.0, 218.281509399414, 0.0, 0.0, 0.0, 0.0, 4.8284273147583, 0.0, 4.0, 0.0, 191.182907104492, 0.0, 0.0, 2.91421365737915, 3.0, 0.0, 0.0, 0.0, 151.069259643555, 0.0, 0.0, 1.70710682868958, 0.0, 2.0, 0.0, , 106.416702270508, 0.95710676908493, 0.0, 0.0, 62.8760070800781, 0.5, 0.0, 2.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H14O4%2Fc1-3-15-11%2813%299-7-5-6-8-10%289%2912%2814%2916-4-2%2Fh5-8H%2C3-4H2%2C1-2H3, 4.0, 3.96540641784668, , , , , 0.0, 2.0, 1.94548285007477 1.94548285007477, 0.505391359329224 0.505391359329224, , 3.19577264785767 3.19577264785767, 0.676681220531464 0.676681220531464, , 4.3730788230896 4.3730788230896, , 0.0, 0.0, 0.716039001941681 0.716039001941681, 0.0, 0.200000002980232, 22.0, 11.9662551879883, 0.0, , 0.536951541900635, 14.0625, 7.70190715789795, 0.0, , -0.324329912662506, , 2.0, 7.34999990463257, , 5.0, 0.171613126993179, 0.743570029735565, 0.0, , 4.07679986953735, 6.14408445358276, , 0.0, 0.111111111938953, -0.0731874480843544, 0.0, , , 4.8246955871582, , 2.58189058303833, -0.299447894096375, 0.248005643486977, 3.94007611274719, 0.0, 1.83659911155701, 0.0, 2.0, 2.69946551322937, 0.0, 0.0, 0.800000011920929, 1.52689099311829, , , 0.0, , 0.939217805862427, 4.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 660.039978027344, 0.0277777779847383, 0.0, 0.0277777779847383, 210.0, , 0.0, , , 52.5999984741211, 0.0, 2.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 446.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.0962250456213951, , 0.0, 0.0, 4.75757694244385, 4.0, , , 9.16719913482666, , 0.0, , 0.0, , 0.0, , 19.0978755950928, , 17.9925518035889, 72.0, 771.171447753906, 0.0, 0.0, , 0.0, 9.35660743713379, , 23.5414905548096, 0.200000002980232, 855.117126464844, , 0.0, 5.13541078567505, 25.3209190368652, , 0.227670907974243, 1.26491105556488, 1091.85131835938, , 0.0, 2.98652410507202, , 26.6492881774902, 0.0, , 1121.61254882812, 1.91775572299957, , 0.0448895953595638, 968.364685058594, 1.25680637359619, , 2.0, , 0.0, 0.0, 0.739975929260254, , 0.0, , , 0.347360581159592, 0.0, , 0.168736919760704, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H14N2O2S%2Fc1-7%282%2C12-4%295-9-11-6%2810%298-3%2Fh5H%2C1-4H3%2C%28H%2C8%2C10%29, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.25, 0.0, 1.94990611076355 1.94990611076355, 1.82388865947723 1.82388865947723, 0.0, 1.55556845664978 1.55556845664978, 1.03849744796753 1.03849744796753, 0.0, 0.837906002998352 0.837906002998352, 0.0, 0.0, 0.0, 0.300362586975098 0.300362586975098, 0.0, 0.0, 12.0, 9.61288452148438, 0.0, 0.0, 0.290997445583344, 12.0, 5.51516723632812, 0.0, 0.0, -0.213393092155457, 0.0, 1.0, 5.61224508285522, 0.0, 4.58496236801147, 0.0626395270228386, 1.49578189849854, 0.0, 0.0, 6.25, 4.92341566085815, 0.0, 0.0, 1.37001347541809, 0.0446662381291389, 0.25, 0.0, 0.0, 3.20450711250305, 0.0, 1.43721640110016, -0.0251282285898924, 0.0, 1.30997800827026, 0.0, 0.961124539375305, 0.0, 0.0, 0.719861328601837, 0.0, 2.14913988113403, 1.0, 0.615999102592468, 0.0, 0.0, 0.0, 0.0, 0.31856843829155, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 493.049987792969, 0.0, 0.0, 0.0, 135.0, 0.0, 0.0, 0.0, 0.0, 79.4800033569336, 1.0, 1.0, 0.5, 0.0, 0.333333343267441, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 233.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, , 1.0, 1.0, 20.3966674804688, 0.0, 16.0557765960693, 50.0, 637.70361328125, 0.0, 0.0, 0.0, 0.0, 8.55198383331299, 0.0, 21.5552196502686, 0.0, 651.527893066406, 0.0, 0.0, 4.66511678695679, 16.3555641174316, 0.0, 1.64897918701172, 0.5, 762.169738769531, 1.0, 0.0, 4.09999752044678, 0.0, 12.0512313842773, 0.353553384542465, , 582.986389160156, 2.37295699119568, 0.0, 0.0, 389.864227294922, 0.442390441894531, 0.0, 4.0, 0.0, 0.0, 0.0, 0.196669667959213, 1.0, 0.0, 0.0, 0.0, 0.120067939162254, 0.0, 0.0, 0.0668714940547943, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H12O2%2Fc1-7-8%2810-2%295-4-6-9%287%2911-3%2Fh4-6H%2C1-3H3, 1.0, 2.38110160827637, , , , , 0.0, 3.0, 1.63915002346039 1.63915002346039, 0.609068870544434 0.609068870544434, , 2.42161870002747 2.42161870002747, 0.751061797142029 0.751061797142029, , 2.66466617584229 2.66466617584229, , 0.0, 0.0, 0.641962587833405 0.641962587833405, 0.0, 0.25, 15.0, 8.26758480072021, 0.0, , 0.342895776033401, 9.09090900421143, 5.29122352600098, 0.0, , -0.185802191495895, , 0.0, 4.13265323638916, , 4.45943164825439, 0.00175683433189988, 0.52578341960907, , , 1.9753086566925, 4.12667608261108, , 0.0, 0.655185341835022, -0.0533788874745369, 0.0, , , 3.68572473526001, , 2.43318581581116, 0.148372665047646, 0.19245009124279, 2.70473051071167, 0.0, 3.80744242668152, 0.0, 0.0, 1.62027525901794, 0.0, 0.0, 1.0, 0.786432921886444, , , 0.0, , 0.406526267528534, 3.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 419.019989013672, 0.0240562614053488, 0.0, 0.0436981171369553, 97.0, , 0.0, , , 18.4599990844727, 0.0, 1.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 150.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.164266422390938, , , , 2.38110160827637, 5.0, , , 4.58575630187988, , , , 0.0, , 0.0, , 12.5489377975464, , 12.3283681869507, 50.0, 530.377807617188, 0.0, 0.0, , 0.0, 7.04854726791382, , 15.3283681869507, 0.0, 581.922058105469, , 0.0, 3.46876192092896, 16.9925518035889, , 0.242851123213768, 0.0, 744.264831542969, , 0.0, 2.28753328323364, , 11.4386529922485, 0.0, , 696.878234863281, 1.67422485351562, , 0.0589255653321743, 385.235687255859, 1.03659951686859, , 3.0, , 0.0, 0.0, 0.493026673793793, , 0.0, , , 0.18955272436142, 0.0, , 0.0749630704522133, 0.0, , 0.0, 
-InChI%3D1S%2FC4H8O2%2Fc1-3-6-4%282%295%2Fh3H2%2C1-2H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.0589255653321743 0.0589255653321743, 0.0, 0.288675129413605 0.288675129413605, 0.0589255653321743 0.0589255653321743, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 4.99156379699707, 0.0, 0.0, 0.27106586098671, 6.0, 2.77005553245544, 0.0, 0.0, -0.165058046579361, 0.0, 1.0, 3.20000004768372, 0.0, 3.58496260643005, 0.0493601150810719, 0.40824830532074, 0.0, 0.0, 5.33333349227905, 2.18252205848694, 0.0, 0.0, 0.25, -0.0141551475971937, 0.0, 0.0, 0.0, 0.866025388240814, 0.0, 1.15470051765442, -0.00567985139787197, 0.0, 0.577350258827209, 0.0, 1.15470051765442, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 139.020004272461, 0.0, 0.0, 0.0, 31.0, 0.0, 0.0, 0.0, 0.0, 26.2999992370605, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 7.54893827438354, 0.0, 5.99627590179443, 20.0, 142.036056518555, 0.0, 0.0, 0.0, 0.0, 4.02360343933105, 0.0, 6.77074480056763, 0.0, 125.86506652832, 0.0, 0.0, 1.90403020381927, 3.33209204673767, 0.0, 0.0833333358168602, 0.5, 114.635986328125, 0.0, 0.0, 0.924594342708588, 0.0, 2.33209204673767, 0.0, , 68.9364852905273, 0.347600698471069, 0.0, 0.0, 38.3261260986328, 0.203263133764267, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H7N%2Fc1-6-2-4-7-5-3-6%2Fh2-5H%2C1H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.40824830532074 0.40824830532074, 0.19245009124279 0.19245009124279, 0.0, 0.433012694120407 0.433012694120407, 0.141621857881546 0.141621857881546, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0, 0.0, 0.099380798637867 0.099380798637867, 0.0, 0.0, 5.0, 5.11288404464722, 0.0, 0.0, 0.0639991909265518, 5.14285707473755, 3.3938467502594, 0.0, 0.0, -0.0352284871041775, 0.0, 0.0, 2.34375, 0.0, 3.80735492706299, 0.000512908038217574, 0.288675129413605, 0.0, 0.0, 1.5, 2.74318218231201, 0.0, 0.0, 0.0, 0.00273645599372685, 0.0, 0.0, 0.0, 1.89384686946869, 0.0, 1.63299322128296, -2.04728494281881e-05, 0.0, 1.30671286582947, 0.0, 1.0, 0.0, 0.0, 0.901047587394714, 0.0, 0.0, 0.333333343267441, 0.20412415266037, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 154.009994506836, 0.0248451996594667, 0.0, 0.0248451996594667, 45.0, 0.0, 0.0, 0.0, 0.0, 12.8900003433228, 0.0, 1.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 42.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.102062076330185, 0.0, 1.0, 0.0, 3.30192732810974, 2.0, 0.0, 0.0, 2.82842707633972, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.35998821258545, 0.0, 7.33237028121948, 30.0, 289.938354492188, 0.0, 0.0, 0.0, 0.0, 4.25661468505859, 0.0, 8.33237075805664, 0.0, 298.767333984375, 0.0, 0.0, 2.26041460037231, 5.16618537902832, 0.0, 0.16666667163372, 0.0, 331.86083984375, 0.0, 0.0, 1.52456390857697, 0.0, 1.16618525981903, 0.0, , 198.491485595703, 0.846987187862396, 0.0, 0.0, 33.6608009338379, 0.426449745893478, 0.0, 1.0, 0.0, 0.0, 0.0, 0.235137492418289, 0.0, 0.0, 0.0, 0.0, 0.0496903993189335, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H5ClO%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4%2C8H, 0.0, 0.333333343267441, , , , , 0.0, 2.0, 0.816496610641479 0.816496610641479, 0.304284185171127 0.304284185171127, , 0.760079681873322 0.760079681873322, 0.23998136818409 0.23998136818409, , 1.13807117938995 1.13807117938995, , 0.0, 0.0, 0.273268550634384 0.273268550634384, 0.0, 0.0, 7.0, 5.98312759399414, 0.0, , 0.115915633738041, 6.125, 3.78769373893738, 0.0, , -0.0338088199496269, , 0.0, 2.51999998092651, , 4.0, -0.00650707865133882, 0.577350258827209, 0.0, , 1.79999995231628, 3.3650438785553, , 0.0, 0.0, -0.00430922443047166, 0.0, , , 2.30453038215637, , 0.0, -0.0496840365231037, 0.0, 1.4267463684082, 0.0, 0.0, 0.0, 0.0, 1.30473780632019, 0.0, 0.0, 0.666666686534882, 0.333333343267441, , , 0.0, , 0.0, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 113.019996643066, 0.0277777779847383, 0.0, 0.043919637799263, 58.0, , 0.0, , , 20.2299995422363, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 62.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, , , , 3.30192732810974, 6.0, , , 5.65685415267944, , , , 0.0, , 0.0, , 16.4872226715088, , 10.2838296890259, 36.0, 378.673126220703, 0.0, 0.0, , 0.0, 4.89050817489624, , 14.5676584243774, 0.0, 402.122009277344, , 0.0, 2.61192059516907, 11.5676584243774, , 0.263517826795578, 0.0, 472.177490234375, , 0.0, 1.91285252571106, , 4.28382921218872, 0.0, , 311.397521972656, 1.07860255241394, , 0.0, 80.1121444702148, 0.56707900762558, , 0.0, , 0.0, 0.0, 0.40332418680191, , 0.0, , , 0.087839275598526, 0.0, , 0.0, 0.0, , 0.0, 
-InChI%3D1S%2FC5H8O%2Fc1-4-5%282%2C3%296%2Fh1%2C6H%2C2-3H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.06066012382507 1.06066012382507, 0.273437023162842 0.273437023162842, 0.0, 0.353553384542465 0.353553384542465, 0.0645497217774391 0.0645497217774391, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 5.207106590271, 0.0, 0.0, 0.0847983211278915, 6.0, 2.56066012382507, 1.0, 0.0, -0.0296638272702694, 0.0, 0.0, 1.63265311717987, 0.0, 3.58496260643005, -0.0141488509252667, 1.56066012382507, 0.0, 0.0, 5.33333349227905, 2.91421365737915, 0.0, 0.0, 1.14471423625946, 0.00141351670026779, 0.353553384542465, 0.0, 0.0, 1.06066012382507, 0.0, 1.88988161087036, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 139.009994506836, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 1.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 28.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 6.77446889877319, 0.0, 5.33209180831909, 24.0, 191.539413452148, 0.0, 0.0, 0.0, 0.0, 4.02456378936768, 0.0, 7.99627590179443, 0.0, 183.747802734375, 0.0, 0.0, 1.76228189468384, 3.33209204673767, 0.0, 0.697213590145111, 0.0, 209.692474365234, 0.0, 0.0, 1.70335459709167, 0.0, 0.0, 0.111803397536278, , 71.596809387207, 0.353224843740463, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H, 0.0, 0.5, , , , , 0.0, 2.0, 0.813052535057068 0.813052535057068, 0.27578341960907 0.27578341960907, , 1.27903914451599 1.27903914451599, 0.359116762876511 0.359116762876511, , 1.57908487319946 1.57908487319946, , 0.0, 0.0, 0.364411175251007 0.364411175251007, 0.0, 0.0, 14.0, 8.93287467956543, 0.0, , 0.0605813190340996, 9.55102062225342, 6.44948959350586, 0.0, , -0.0269705187529325, , 0.0, 5.02422142028809, , 4.70043992996216, -0.00903643202036619, 0.40824830532074, 0.0, , 3.0, 5.24377393722534, , 0.0, 0.0, 0.00390532868914306, 0.0, , , 4.11615657806396, , 0.0, 0.00158346409443766, 0.0, 3.31708836555481, 0.0, 0.0, 0.0, 0.0, 2.63299322128296, 0.0, 0.0, 1.0, 1.23148417472839, , , 0.0, , 0.833333313465118, 10.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 469.010009765625, 0.0641500279307365, 0.0, 0.0320750139653683, 174.0, , 0.0, , , 12.0299997329712, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 1.0, , 0.0, 0.0, 0.0, , , 264.0, 0.0, 0.0, 0.20412415266037, 0.0, 0.144337564706802, , 0.0, 0.0, 13.9952611923218, 12.0, , , 8.07939052581787, , 0.0, , 0.0, , 0.0, , 13.3599882125854, , 14.3323707580566, 62.0, 739.75537109375, 0.0, 0.0, , 0.0, 7.27350282669067, , 17.6647415161133, 0.0, 814.43408203125, , 0.0, 4.32136726379395, 14.664740562439, , 0.16666667163372, 0.0, 995.543273925781, , 0.0, 2.85705089569092, , 10.3323707580566, 0.0, , 833.965148925781, 1.83625328540802, , 0.0, 588.9658203125, 1.20963907241821, , 0.0, , 0.0, 0.0, 0.78468644618988, , 0.0, , , 0.286372244358063, 0.0, , 0.160375073552132, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC5H13N%2Fc1-5%282%2C3%294-6%2Fh4%2C6H2%2C1-3H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.06066012382507 1.06066012382507, 0.61237245798111 0.61237245798111, 0.0, 0.353553384542465 0.353553384542465, 0.20412415266037 0.20412415266037, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 5.207106590271, 0.0, 0.0, 0.0295112244784832, 6.0, 2.56066012382507, 0.0, 0.0, -0.0123355714604259, 0.0, 0.0, 1.63265311717987, 0.0, 3.58496260643005, -0.0018344153650105, 1.56066012382507, 0.0, 0.0, 5.33333349227905, 2.91421365737915, 0.0, 0.0, 1.5, -0.000585625995881855, 0.353553384542465, 0.0, 0.0, 1.06066012382507, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 3.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 294.010009765625, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 26.0200004577637, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 28.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 6.35998821258545, 0.0, 5.16618537902832, 24.0, 248.885238647461, 0.0, 0.0, 0.0, 0.0, 4.78445720672607, 0.0, 7.16618537902832, 0.0, 239.039886474609, 0.0, 1.0, 2.26180171966553, 3.4985556602478, 0.0, 1.56066012382507, 0.0, 274.588073730469, 0.0, 0.0, 2.76478433609009, 0.0, 0.0, 0.353553384542465, , 91.9649047851562, 0.61237245798111, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H6O3.Na%2Fc8-6-4-2-1-3-5%286%297%289%2910%3B%2Fh1-4%2C8H%2C%28H%2C9%2C10%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 2.38110160827637, , , , , 0.0, 2.0, 1.49826681613922 1.49826681613922, 0.19424507021904 0.19424507021904, , 2.17455840110779 2.17455840110779, 0.171847939491272 0.171847939491272, , 2.13370633125305 2.13370633125305, , 0.0, 0.0, 0.1283198595047, 0.0, 0.0, 12.0, 7.56047773361206, 0.0, , 0.359296292066574, 11.0, 4.71521425247192, 0.0, , -0.113232351839542, , 1.0, 4.79289960861206, , 4.45943164825439, 0.0085165724158287, 0.705118358135223, , , 2.84444451332092, 4.16961240768433, , , 0.0, -0.186019986867905, 0.0, , , 3.03412985801697, , 0.0, 0.112789168953896, 0.232307806611061, 2.33534574508667, 0.0, 0.0, 0.0, 0.0, 1.34171581268311, 0.0, 0.0, 999.0009765625, 0.565641164779663, , , 0.0, , 0.240562617778778, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 115.040000915527, 0.0277777779847383, 0.0, 0.0138888889923692, -1474836480.0, , 0.0, , , 60.3600006103516, 0.0, 1.0, 0.999000012874603, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 10000000000.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, , , , 3.96540641784668, 5.0, , , 5.55315780639648, , , , 0.0, , 0.0, , 15.9871921539307, , 10.9962759017944, 46.0, 400.765594482422, 0.0, 0.0, , 0.0, 4.66486310958862, , 15.1028366088867, 0.944940805435181, 440.647491455078, , 0.0, 2.50508117675781, 14.3246440887451, , 0.1178123280406, 0.0, 547.607177734375, , 0.0, 1.58139872550964, , 11.2093982696533, 0.0, , 451.277282714844, 0.939471364021301, , 0.0131761571392417, 226.817337036133, 0.526366531848907, , 0.0, , 0.0, 0.0, 0.295303374528885, , 0.0, , , 0.0721198245882988, 0.0, , 0.0237628296017647, 1.0, , 0.0, 
-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, 0.0, 0.0, , , , , 0.0, 1.0, 2.92254185676575 2.92254185676575, 1.77338039875031 1.77338039875031, , 2.45670580863953 2.45670580863953, 1.64145445823669 1.64145445823669, , 2.15055680274963 2.15055680274963, , 0.0, 0.0, 1.37862288951874 1.37862288951874, 0.0, 0.0, 14.0, 12.8199911117554, 0.0, , 0.510316610336304, 16.0, 7.16583204269409, 0.0, , -0.459405243396759, , 0.0, 6.66666650772095, , 5.0, 0.290989756584167, 3.0710232257843, 0.0, , 8.81660938262939, 7.61517286300659, , 0.0, 0.000134164074552245, -0.0873698890209198, 0.642228543758392, , , 3.89057683944702, , 0.0419208556413651, 0.000604273402132094, 0.433012694120407, 1.96861410140991, 0.0, 0.013374806381762, 0.144337564706802, 0.0, 1.3690824508667, 0.0, 0.0, 999.0009765625, 0.535074770450592, , , 0.0, , 0.306186228990555, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 784.059997558594, 0.0320750139653683, 0.0, 0.0226804614067078, -64771104.0, , 0.0, , , 74.8099975585938, 0.0, 0.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 60000002048.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0510310381650925, , 0.0, 0.0, 6.08364343643188, 6.0, , , 3.04182171821594, , , , 0.0, , 0.0, , 25.5856170654297, , 26.2224311828613, 72.0, 779.082092285156, 0.0, 0.0, , 0.0, 10.1857128143311, , 27.6489696502686, 1.5, 816.255615234375, , 0.0, 5.85579395294189, 15.3286466598511, , 1.94461739063263, 1.5, 1046.60107421875, , 0.0, 5.45513010025024, , 7.16618537902832, 0.353553384542465, , 704.123657226562, 2.35660624504089, , 0.353553384542465, 347.911804199219, 1.18511736392975, , 4.0, , 0.117851130664349, 0.0, 0.679265797138214, , 0.0, , , 0.281063169240952, 0.0, , 0.136082768440247, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC8H6Cl2O%2Fc1-5%2811%297-3-2-6%289%294-8%287%2910%2Fh2-4H%2C1H3, 1.0, 3.14734530448914, , , , , 0.0, 3.0, 1.83847367763519 1.83847367763519, 0.838507831096649 0.838507831096649, , 2.72335362434387 2.72335362434387, 1.12839567661285 1.12839567661285, , 2.77096581459045 2.77096581459045, , 0.0, 0.0, 0.993425488471985 0.993425488471985, 0.0, 0.0, 14.0, 8.43072128295898, 0.0, , 0.206538558006287, 9.09090900421143, 5.10906076431274, 0.0, , -0.0352316163480282, , 1.0, 3.59999990463257, , 4.45943164825439, -0.0288530681282282, 0.993793487548828, 0.0, , 2.21453285217285, 4.80337953567505, , 0.0, 0.0, -0.0724245682358742, 0.0, , , 3.35415959358215, , 0.825481832027435, 0.0469324067234993, 0.232307806611061, 2.6792049407959, 0.0, 1.70914804935455, 0.0, 0.0, 1.46274888515472, 0.0, 0.0, 1.0, 1.04373681545258, , , 0.0, , 0.196418553590775, 3.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 179.029998779297, 0.0240562614053488, 0.0, 0.0665826052427292, 95.0, , 0.0, , , 17.0699996948242, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 150.0, 0.0, 0.0, 0.0680413842201233, 1.0, 0.175366476178169, , 0.0, 0.0, 1.65096366405487, 5.0, , , 6.83080291748047, , 0.0, , 0.0, , 0.0, , 27.1999759674072, , 15.2355670928955, 52.0, 671.4677734375, 0.0, 0.0, , 0.0, 7.40808582305908, , 23.471134185791, 0.0, 745.075927734375, , 0.0, 3.82605147361755, 24.4228706359863, , 0.526876509189606, 0.0, 961.0703125, , 0.0, 3.02399039268494, , 27.164134979248, 0.0, , 830.575073242188, 1.85823261737823, , 0.0767083391547203, 471.058563232422, 1.31655657291412, , 1.0, , 0.0, 0.0, 0.583172500133514, , 0.0, , , 0.374105483293533, 0.0, , 0.0475158058106899, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC9H12O%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5%2C10H%2C1-3H3, 3.0, 3.53277564048767, , , , , 0.0, 4.0, 2.00613451004028 2.00613451004028, 0.760794341564178 0.760794341564178, , 2.69851565361023 2.69851565361023, 1.05508720874786 1.05508720874786, , 3.27736973762512 3.27736973762512, , 0.0, 0.0, 0.977666139602661 0.977666139602661, 0.0, 0.0, 13.0, 7.72361469268799, 0.0, , 0.0750829502940178, 8.10000038146973, 4.60906076431274, 0.0, , -0.0243298336863518, , 0.0, 2.93877553939819, , 4.32192802429199, -0.0111624943092465, 0.952529728412628, , , 1.75, 4.39026069641113, , 0.0, 0.75, -0.00203043525107205, 0.0, , , 3.34344482421875, , 2.38110160827637, -1.81098748726072e-05, 0.272165536880493, 2.35571956634521, 0.0, 5.4989185333252, 0.0, 0.0, 1.30466866493225, 0.0, 0.0, 0.666666686534882, 0.69780433177948, , , 0.0, , 0.111111111938953, 2.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 394.010009765625, 0.020833333954215, 0.0, 0.0718169510364532, 76.0, , 0.0, , , 20.2299995422363, 0.0, 3.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 110.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.222222223877907, , , , 0.5, 3.0, , , 5.11154460906982, , , , 0.0, , 0.0, , 10.7744693756104, , 10.3320922851562, 48.0, 536.335998535156, 0.0, 0.0, , 0.0, 6.6019139289856, , 14.6641836166382, 0.0, 590.284484863281, , 0.0, 3.3783073425293, 14.3283681869507, , 0.511243522167206, 0.0, 774.794738769531, , 0.0, 2.74732422828674, , 7.33209180831909, 0.0, , 652.351623535156, 1.63539826869965, , 0.0645497217774391, 303.747253417969, 1.17240214347839, , 3.0, , 0.0, 0.0, 0.454488426446915, , 0.0, , , 0.257469356060028, 0.0, , 0.0186339002102613, 0.0, , 0.0, 
-InChI%3D1S%2FC7H7NO%2Fc1-6%289%297-2-4-8-5-3-7%2Fh2-5H%2C1H3, 3.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.04044008255005 1.04044008255005, 0.331430196762085 0.331430196762085, 0.0, 1.05473780632019 1.05473780632019, 0.274361073970795 0.274361073970795, 0.0, 1.04044008255005 1.04044008255005, 0.0, 0.0, 0.0, 0.180004492402077 0.180004492402077, 0.0, 0.0, 9.0, 6.69023466110229, 0.0, 0.0, 0.185415804386139, 7.11111116409302, 4.30453062057495, 0.0, 0.0, -0.0554684326052666, 0.0, 1.0, 3.23966932296753, 0.0, 4.16992521286011, -0.0196351185441017, 0.5, 0.0, 0.0, 2.0, 3.6421070098877, 0.0, 0.0, 0.0, 0.00618086475878954, 0.0, 0.0, 0.0, 2.59263896942139, 0.0, 1.15470051765442, -0.0728576183319092, 0.16666667163372, 1.80083346366882, 0.0, 1.41421353816986, 0.0, 0.0, 1.25044357776642, 0.0, 0.0, 0.666666686534882, 0.451184451580048, 0.0, 0.0, 0.0, 1.0, 0.235702261328697, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 184.020004272461, 0.0248451996594667, 0.0, 0.0124225998297334, 69.0, 0.0, 0.0, 0.0, 0.0, 29.9599990844727, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 88.0, 0.0, 0.0, 0.102062076330185, 1.0, 0.0589255653321743, 0.0, 1.0, 0.0, 3.30192732810974, 2.0, 0.0, 0.0, 4.29827976226807, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 10.1344566345215, 0.0, 9.66446208953857, 40.0, 386.113433837891, 0.0, 0.0, 0.0, 0.0, 5.16486310958862, 0.0, 11.9965543746948, 0.0, 411.942260742188, 0.0, 0.0, 2.71453881263733, 9.8303689956665, 0.0, 0.185395404696465, 0.0, 488.158538818359, 0.0, 0.0, 1.79207491874695, 0.0, 5.8303689956665, 0.0, , 372.231475830078, 1.08684682846069, 0.0, 0.0340206921100616, 170.320755004883, 0.586622178554535, 0.0, 1.0, 0.0, 0.0, 0.0, 0.297068983316422, 0.0, 0.0, 0.0, 0.0, 0.0854465588927269, 0.0, 0.0, 0.034988209605217, 0.0, 0.0, 0.0, 0.0
-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, 1.0, 2.40685200691223, , , , , 0.0, 3.0, 1.94286894798279 1.94286894798279, 0.960093557834625 0.960093557834625, , 2.12706422805786 2.12706422805786, 0.797893106937408 0.797893106937408, , 2.76955556869507 2.76955556869507, , 0.0, 0.0, 0.88656210899353 0.88656210899353, 0.0, 0.0, 16.0, 9.84493541717529, 0.0, , 0.236501023173332, 11.0769233703613, 6.13022899627686, 0.0, , -0.0969726517796516, , 1.0, 5.02422142028809, , 4.70043992996216, -0.00840288400650024, 0.964203774929047, 0.0, , 3.32409977912903, 5.38276815414429, , 0.0, 0.0, -0.030395470559597, 0.0, , , 4.13940525054932, , 1.14297616481781, 0.00873399060219526, 0.16666667163372, 2.60883259773254, 0.0, 0.934275984764099, 0.0, 1.0, 2.00753474235535, 0.0, 0.0, 1.0, 1.16523063182831, , , 0.0, , 0.663434386253357, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 328.040008544922, 0.0240562614053488, 0.0, 0.0653127580881119, 155.0, , 0.0, , , 32.5900001525879, 0.0, 0.0, 0.5, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.0, 0.0, , , 262.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.184195280075073, , 0.0, 0.0, 2.14426136016846, 7.0, , , 7.57937431335449, , 0.0, , 0.0, , 0.0, , 29.559965133667, , 17.5679378509521, 60.0, 780.319885253906, 0.0, 0.0, , 0.0, 8.60137176513672, , 26.1910629272461, 0.0, 855.311401367188, , 0.0, 4.60340785980225, 32.6824417114258, , 0.472573101520538, 0.0, 1078.45239257812, , 0.0, 3.29439663887024, , 18.1761169433594, 0.0, , 948.019287109375, 2.21659779548645, , 0.107142858207226, 621.462097167969, 1.07499957084656, , 1.0, , 0.0, 0.0, 0.706988573074341, , 0.0, , , 0.341370403766632, 0.0, , 0.169737562537193, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC10H21N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.04044008255005 1.04044008255005, 0.80592143535614 0.80592143535614, 0.0, 1.62377345561981 1.62377345561981, 1.25776946544647 1.25776946544647, 0.0, 1.54044008255005 1.54044008255005, 0.0, 0.0, 0.0, 1.19321978092194 1.19321978092194, 0.0, 0.0, 13.0, 8.10444831848145, 0.0, 0.0, 0.0899687558412552, 9.09090900421143, 5.380539894104, 0.0, 0.0, -0.0506680272519588, 0.0, 0.0, 4.79289960861206, 0.0, 4.45943164825439, -0.00511300191283226, 0.333333343267441, 0.0, 0.0, 2.5, 3.97466635704041, 0.0, 0.0, 0.25, 0.00875420309603214, 0.0, 0.0, 0.0, 3.36525130271912, 0.0, 3.93623065948486, 0.001922179129906, 0.0833333358168602, 2.5609130859375, 0.0, 0.666666686534882, 0.0, 7.0, 1.58377695083618, 0.0, 0.0, 1.0, 0.686886727809906, 0.0, 0.0, 0.0, 0.0, 0.402368932962418, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 914.010009765625, 0.102062076330185, 0.0, 0.0456435456871986, 101.0, 0.0, 0.0, 0.0, 0.0, 3.24000000953674, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 158.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0589255653321743, 0.0, 0.0, 0.0, 8.56995296478271, 6.0, 0.0, 0.0, 4.02643537521362, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 11.3599882125854, 0.0, 11.498556137085, 48.0, 638.489807128906, 0.0, 1.0, 0.0, 0.0, 7.97431135177612, 0.0, 13.664740562439, 0.0, 685.042663574219, 0.0, 0.0, 5.12136459350586, 13.3323707580566, 0.0, 0.258198887109756, 0.0, 822.881591796875, 0.0, 0.0, 3.51304459571838, 0.0, 10.1661853790283, 0.0, , 754.815979003906, 2.90345525741577, 0.0, 0.0645497217774391, 499.360107421875, 2.18619155883789, 0.0, 2.0, 0.0, 0.0, 0.0, 1.36481916904449, 0.0, 0.0, 0.0, 0.0, 0.532060146331787, 0.0, 0.0, 0.311673641204834, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H, 0.0, 9.12546539306641, , , , , 0.0, 6.0, 3.64273452758789 3.64273452758789, 2.30384564399719 2.30384564399719, , 4.97606754302979 4.97606754302979, 2.87501883506775 2.87501883506775, , 7.01965713500977 7.01965713500977, , 0.0, 0.0, 3.63859963417053 3.63859963417053, 0.0, 0.0, 21.0, 9.46410179138184, 0.0, , 0.343975722789764, 10.0833330154419, 5.46410179138184, 0.0, , -0.00172899139579386, , 0.0, 3.3950617313385, , 4.58496236801147, -0.170084491372108, 1.15470051765442, , , 1.5625, 5.154700756073, , 0.0, 0.0, -0.0847692787647247, 0.0, , , 4.97606754302979, , 0.0, -4.79899244965054e-06, 0.666666686534882, 2.87293410301208, 0.0, 0.0, 0.0, 0.0, 1.65868926048279, 0.0, 0.0, 0.25, 0.829344630241394, , , 0.0, , 0.222222223877907, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 37.060001373291, 0.015625, 0.0, 0.0955731347203255, 102.0, , 0.0, , , 20.2299995422363, 0.0, 0.0, 0.200000002980232, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 174.0, 0.0, 0.0, 0.0370370373129845, 0.0, 0.222222223877907, , , , 0.0, 6.0, , , 0.0, , , , 0.0, , 0.0, , 51.3382377624512, , 22.0907783508301, 60.0, 991.575927734375, 0.0, 0.0, , 0.0, 9.11668109893799, , 38.1815567016602, 0.0, 1146.26867675781, , 0.0, 4.55834054946899, 77.8965454101562, , 0.764585077762604, 0.0, 1599.27185058594, , 0.0, 3.80834031105042, , 58.8057632446289, 0.0, , 1551.85754394531, 3.44343066215515, , 0.384815126657486, 752.326538085938, 1.72171533107758, , 0.0, , 0.0, 0.0, 0.860857665538788, , 0.0, , , 0.383553832769394, 0.0, , 0.0962037816643715, 0.0, , 0.0, 
-InChI%3D1S%2FC10H15N%2Fc1-2-3-4-9-5-7-10%2811%298-6-9%2Fh5-8H%2C2-4%2C11H2%2C1H3, 1.0, 0.333333343267441, , , , , 0.0, 2.0, 0.841260969638824 0.841260969638824, 0.33052721619606 0.33052721619606, , 0.95495480298996 0.95495480298996, 0.35010626912117 0.35010626912117, , 1.26661968231201 1.26661968231201, , 0.0, 0.0, 0.396364331245422 0.396364331245422, 0.0, 0.0, 11.0, 8.10444831848145, 0.0, , 0.0269772820174694, 9.09090900421143, 5.3256983757019, 0.0, , -0.0086592398583889, , 0.0, 4.79289960861206, , 4.45943164825439, -0.00447222637012601, 0.492799282073975, , , 3.26530623435974, 4.26812601089478, , 0.0, 0.0, -0.000343370455084369, 0.0, , , 3.10135436058044, , 2.05068492889404, -1.36019343699445e-05, 0.0, 2.11058974266052, 0.0, 0.377964466810226, 0.0, 3.0, 1.79753708839417, 0.0, 0.0, 1.0, 0.891010880470276, , , 0.0, , 0.402368932962418, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 566.010009765625, 0.0277777779847383, 0.0, 0.0356793627142906, 129.0, , 0.0, , , 26.0200004577637, 0.0, 1.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 174.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , , , 8.56995296478271, 8.0, , , 7.17834424972534, , , , 0.0, , 0.0, , 11.3599882125854, , 11.1661853790283, 48.0, 582.018005371094, 0.0, 0.0, , 0.0, 7.00807189941406, , 13.3323707580566, 0.0, 615.16796875, , 1.0, 4.17070245742798, 11.3323707580566, , 0.214076176285744, 0.0, 721.422973632812, , 0.0, 2.845134973526, , 7.16618537902832, 0.0, , 597.119262695312, 1.79872441291809, , 0.0, 365.232666015625, 1.06520485877991, , 1.0, , 0.0, 0.0, 0.76361358165741, , 0.0, , , 0.34436047077179, 0.0, , 0.154744729399681, 0.0, , 0.0, 
-InChI%3D1S%2FC6H15NO3%2Fc8-4-1-7%282-5-9%293-6-10%2Fh8-10H%2C1-6H2, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.433012694120407 0.433012694120407, 0.335410207509995 0.335410207509995, 0.0, 0.739198923110962 0.739198923110962, 0.387170821428299 0.387170821428299, 0.0, 0.61237245798111 0.61237245798111, 0.0, 0.0, 0.0, 0.212132036685944 0.212132036685944, 0.0, 0.0, 9.0, 7.81999111175537, 0.0, 0.0, 0.370013624429703, 10.0, 4.84606504440308, 0.0, 0.0, -0.152977347373962, 0.0, 0.0, 7.11111116409302, 0.0, 4.32192802429199, -0.195289552211761, 0.20412415266037, 0.0, 0.0, 5.53086423873901, 3.23205089569092, 0.0, 0.0, 0.0, 0.304942548274994, 0.0, 0.0, 0.0, 2.09077024459839, 0.0, 0.0, -0.023338770493865, 0.0, 1.65775752067566, 0.0, 0.0, 0.0, 6.0, 0.866025388240814, 0.0, 0.0, 1.0, 0.433012694120407, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 486.040008544922, 0.0, 0.0, 0.0, 81.0, 0.0, 0.0, 0.0, 0.0, 63.9300003051758, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 138.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.37712240219116, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 12.6833953857422, 0.0, 10.4948320388794, 36.0, 378.407745361328, 0.0, 0.0, 0.0, 0.0, 6.03149509429932, 0.0, 10.4948320388794, 0.5, 378.282928466797, 0.0, 0.0, 3.39736652374268, 10.6603984832764, 0.0, 0.15811388194561, 0.0, 390.242950439453, 0.0, 0.0, 2.01246118545532, 0.0, 10.9925518035889, 0.0, , 356.142578125, 1.24868333339691, 0.0, 0.0, 281.16796875, 0.759674251079559, 0.0, 0.0, 0.0, 0.0, 0.0, 0.300000011920929, 3.0, 0.0, 0.0, 0.0, 0.0670820400118828, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12N4%2Fc1-7-2-9-4-8%281%295-10%283-7%296-9%2Fh1-6H2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.41421353816986 1.41421353816986, 0.848528146743774 0.848528146743774, 0.0, 2.81649661064148 2.81649661064148, 1.57947337627411 1.57947337627411, 0.0, 3.81765508651733 3.81765508651733, 0.0, 0.0, 0.0, 1.82210099697113 1.82210099697113, 0.0, 0.0, 12.0, 6.55204153060913, 0.0, 0.0, 0.353672444820404, 5.625, 4.89897966384888, 0.0, 0.0, -0.424406915903091, 0.0, 0.0, 1.77777779102325, 0.0, 4.32192802429199, 0.601243138313293, 0.816496610641479, 0.0, 0.0, 0.777777791023254, 4.87831497192383, 0.0, 0.0, 0.0, -0.424406915903091, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0707344859838486, 0.0, 3.98312759399414, 0.0, 0.0, 0.0, 6.0, 3.26598644256592, 0.0, 0.0, 0.333333343267441, 2.20345520973206, 0.0, 0.0, 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 486.040008544922, 0.126491099596024, 0.0, 0.268328160047531, 84.0, 0.0, 0.0, 0.0, 0.0, 12.960000038147, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 96.0, 0.0, 0.0, 0.272165536880493, 0.0, 0.577350258827209, 0.0, 0.0, 0.0, 6.52912902832031, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, , 0.0, 0.0, 11.4399518966675, 0.0, 13.9942226409912, 60.0, 619.124694824219, 0.0, 0.0, 0.0, 0.0, 6.03149509429932, 0.0, 20.1599273681641, 0.0, 751.205261230469, 0.0, 0.0, 3.79473328590393, 13.9942226409912, 0.0, 0.63245552778244, 0.0, 1104.54736328125, 0.0, 0.0, 3.53180980682373, 0.0, 3.0, 0.0, , 751.205261230469, 2.40000009536743, 0.0, 0.0, 175.860229492188, 2.23371267318726, 0.0, 0.0, 0.0, 0.0, 3.0, 1.51789331436157, 0.0, 0.0, 0.0, 0.0, 0.974690079689026, 0.0, 0.0, 0.479999989271164, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H8ClNO%2Fc1-6-7%289%293-2-4-8%286%2910-5-11%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%29, 1.0, 2.38110160827637, , , , , 0.0, 3.0, 1.63774406909943 1.63774406909943, 0.853322386741638 0.853322386741638, , 2.14705300331116 2.14705300331116, 0.841634333133698 0.841634333133698, , 2.6682186126709 2.6682186126709, , 0.0, 0.0, 0.847014546394348 0.847014546394348, 0.0, 0.0, 14.0, 8.26758480072021, 0.0, , 0.204846724867821, 9.09090900421143, 5.25321865081787, 0.0, , -0.132701501250267, , 0.0, 4.13265323638916, , 4.45943164825439, 0.0562843233346939, 0.594819009304047, , , 2.21453285217285, 4.31605911254883, , 0.0, 0.0, -0.0430477969348431, 0.0, , , 3.53498530387878, , 1.15470051765442, 0.049101434648037, 0.232307806611061, 2.47043418884277, 0.0, 1.88988161087036, 0.0, 0.0, 1.68295919895172, 0.0, 0.0, 1.0, 0.82509046792984, , , 0.0, , 0.350158929824829, 3.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 251.029998779297, 0.0240562614053488, 0.0, 0.0620917864143848, 101.0, , 0.0, , , 32.5900001525879, 1.0, 1.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 154.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.184195280075073, , , , 2.70160007476807, 5.0, , , 5.55315780639648, , , , 0.0, , 0.0, , 19.8472099304199, , 13.6161994934082, 50.0, 610.031677246094, 0.0, 0.0, , 0.0, 6.837721824646, , 18.7893104553223, 0.0, 671.35546875, , 0.0, 3.55096817016602, 20.6858596801758, , 0.353213131427765, 0.0, 850.2587890625, , 0.0, 2.53573107719421, , 14.2243795394897, 0.0, , 756.562133789062, 1.84538280963898, , 0.114106573164463, 400.731109619141, 0.967698037624359, , 1.0, , 0.0, 0.0, 0.525134742259979, , 0.0, , , 0.207572743296623, 0.0, , 0.0749108344316483, 0.0, , 0.0, 
-InChI%3D1S%2FCH4O%2Fc1-2%2Fh2H%2C1H3, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0950911492109299, 2.0, 1.0, 0.0, 0.0, -0.0475455746054649, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.0100002288818, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 2.77446913719177, 0.0, 1.33209192752838, 2.0, 16.7675266265869, 0.0, 0.0, 0.0, 0.0, 1.44721364974976, 0.0, 0.0, 0.0, 8.30887889862061, 0.0, 0.0, 0.447213590145111, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H12O%2Fc8-7-4-5-1-2-6%287%293-5%2Fh5-8H%2C1-4H2%2Ft5-%2C6%2B%2C7%3F%2Fm0%2Fs1, 0.0, 1.88988161087036, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.3480498790741 1.3480498790741, 0.9964320063591 0.9964320063591, 0.0, 1.95994281768799 1.95994281768799, 1.44535183906555 1.44535183906555, 0.0, 1.81275022029877 1.81275022029877, 0.0, 0.0, 0.0, 1.15643382072449 1.15643382072449, 0.0, 0.0, 5.0, 5.56047773361206, 0.0, 0.0, 0.0752639174461365, 4.83950614929199, 3.86017346382141, 0.0, 0.0, -0.0240267813205719, 0.0, 0.0, 1.4911242723465, 0.0, 4.0, -0.011879407800734, 0.606493055820465, 0.0, 0.0, 0.622837364673615, 3.65214371681213, 0.0, 0.0, 0.0, -0.0016848286613822, 0.0, 0.0, 0.0, 3.09164476394653, 0.0, 0.0, -4.09425483667292e-05, 0.117851130664349, 2.56276822090149, 0.0, 0.0, 0.0, 4.0, 1.48591458797455, 0.0, 0.0, 1.0, 0.628882050514221, 0.0, 0.0, 0.0, 0.0, 0.0962250456213951, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.214076176285744, 0.0, 0.0, 385.010009765625, 0.398532003164291, 0.0, 0.506616294384003, 54.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 54.0, 0.214076176285744, 0.0, 0.451723903417587, 0.0, 0.657065689563751, 0.0, 0.0, 0.0, 3.14734530448914, 5.0, 0.0, 0.0, 8.2033634185791, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 8.77446937561035, 0.0, 9.33209228515625, 44.0, 416.158935546875, 0.0, 3.0, 0.0, 0.0, 5.00769138336182, 0.0, 13.6641836166382, 0.0, 491.715637207031, 0.0, 0.0, 3.54102206230164, 5.99627590179443, 0.0, 0.476200073957443, 0.0, 688.863647460938, 0.0, 0.0, 3.24220752716064, 0.0, 1.33209192752838, 0.0, , 213.708572387695, 2.70076560974121, 0.0, 0.0527046285569668, 34.421516418457, 2.21115040779114, 0.0, 0.0, 0.0, 0.0, 0.0, 1.20800042152405, 1.0, 0.0, 0.0, 0.0, 0.440820276737213, 0.0, 0.0, 0.0430331490933895, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H14O3%2Fc1-2-8-5-6-9-4-3-7%2Fh7H%2C2-6H2%2C1H3, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.333333343267441, 6.0, 6.94974756240845, 0.0, 0.0, 0.452288389205933, 9.0, 4.41421365737915, 0.0, 0.0, -0.207173973321915, 0.0, 0.0, 8.0, 0.0, 4.16992521286011, -0.192035347223282, 0.0, 0.0, 0.0, 8.0, 2.76776695251465, 0.0, 0.0, 0.0, 0.297723054885864, 0.0, 0.0, 0.0, 1.70710682868958, 0.0, 1.44040262699127, -0.106619231402874, 0.0, 1.03033006191254, 0.0, 0.0, 0.0, 5.0, 0.603553414344788, 0.0, 0.0, 1.0, 0.338388353586197, 0.0, 0.0, 0.0, 0.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 412.029998779297, 0.0, 0.0, 0.0, 96.0, 0.0, 0.0, 0.0, 0.0, 38.689998626709, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 120.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.87917613983154, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 2.0, 11.3234071731567, 0.0, 9.66045951843262, 30.0, 260.559875488281, 0.0, 0.0, 0.0, 0.0, 5.79924392700195, 0.0, 8.66045951843262, 0.0, 241.091293334961, 0.0, 0.0, 3.17803502082825, 7.54893827438354, 0.0, 0.0, 0.471404522657394, 211.714202880859, 0.0, 0.0, 1.53290271759033, 0.0, 5.99627590179443, 0.0, , 179.352645874023, 0.811757266521454, 0.0, 0.0, 144.492935180664, 0.428800493478775, 0.0, 1.0, 0.0, 0.0, 0.0, 0.187902450561523, 1.0, 0.0, 0.0, 0.0, 0.0897633507847786, 0.0, 0.0, 0.0426389388740063, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H12O4%2Fc1-12-8-5-10%2814-3%299%2813-2%294-7%288%296-11%2Fh4-6H%2C1-3H3, 0.0, 3.30192732810974, , , , , 0.0, 4.0, 1.99437594413757 1.99437594413757, 0.607180893421173 0.607180893421173, , 3.10999798774719 3.10999798774719, 0.750502824783325 0.750502824783325, , 3.90679907798767 3.90679907798767, , 0.0, 0.0, 0.738019943237305 0.738019943237305, 0.0, 0.766309440135956, 21.0, 10.5520420074463, 0.0, , 0.661988139152527, 12.0714282989502, 6.76108026504517, 0.0, , -0.310015350580215, , 0.0, 5.77777767181396, , 4.80735492706299, -0.0561665073037148, 0.666666686534882, 0.0, , 2.75, 5.14471626281738, , 0.0, 0.504717230796814, -0.00671305041760206, 0.0, , , 4.64184045791626, , 2.30937933921814, -0.000739047420211136, 0.16666667163372, 3.54753756523132, 0.0, 3.62565040588379, 0.0, 0.0, 2.67442488670349, 0.0, 0.0, 0.75, 1.66725814342499, , , 0.0, , 0.799125611782074, 2.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 494.040008544922, 0.020833333954215, 0.0, 0.0375436469912529, 152.0, , 0.0, , , 44.7599983215332, 1.0, 1.0, 0.428571432828903, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 295.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.157134845852852, , , 0.0, 1.14471423625946, 5.0, , , 7.30836629867554, , , , 0.0, , 0.0, , 17.0978755950928, , 16.3246440887451, 64.0, 663.767517089844, 0.0, 0.0, , 0.0, 8.36504364013672, , 20.3246440887451, 0.0, 747.106079101562, , 0.0, 4.01619529724121, 24.7632961273193, , 0.260110020637512, 0.608220219612122, 989.620971679688, , 0.0, 2.56699275970459, , 22.2056732177734, 0.0, , 1014.30743408203, 1.86286067962646, , 0.0335307456552982, 723.641357421875, 1.14493238925934, , 3.0, , 0.0, 0.0, 0.695734143257141, , 0.0, , , 0.337125092744827, 0.0, , 0.131185322999954, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC11H25N%2Fc1-2-3-4-5-6-7-8-9-10-11-12%2Fh2-12H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 9.0, 9.07106781005859, 0.0, 0.0, 0.0296331718564034, 12.0, 5.91421365737915, 0.0, 0.0, -0.0120891109108925, 0.0, 0.0, 11.0, 0.0, 4.58496236801147, -0.00252518872730434, 0.0, 0.0, 0.0, 11.1111106872559, 3.82842707633972, 0.0, 0.0, 0.0, -0.000196016044355929, 0.0, 0.0, 0.0, 2.45710682868958, 0.0, 2.20812511444092, -6.19201682638959e-06, 0.0, 1.56066012382507, 0.0, 0.0, 0.0, 10.0, 0.978553414344788, 0.0, 0.0, 0.833333313465118, 0.603553414344788, 0.0, 0.0, 0.0, 0.0, 0.364276707172394, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1164.01000976562, 0.0, 0.0, 0.0, 182.0, 0.0, 0.0, 0.0, 0.0, 26.0200004577637, 0.0, 0.0, 0.454545468091965, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 286.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.159595489502, 9.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 12.3599882125854, 0.0, 11.1661853790283, 42.0, 556.088806152344, 0.0, 0.0, 0.0, 0.0, 8.64841842651367, 0.0, 10.1661853790283, 0.0, 529.158081054688, 0.0, 1.0, 5.61535501480103, 9.16618537902832, 0.0, 0.0, 0.0, 486.497344970703, 0.0, 0.0, 3.61710214614868, 0.0, 8.16618537902832, 0.0, , 436.107696533203, 2.30767750740051, 0.0, 0.0, 381.972747802734, 1.45499777793884, 0.0, 1.0, 0.0, 0.0, 0.0, 0.903838753700256, 0.0, 0.0, 0.0, 0.0, 0.550722181797028, 0.0, 0.0, 0.326919376850128, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H2N2%2Fc4-2-1-3-5%2Fh1H2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.25, 0.0 0.0, 0.0, 0.0, 2.0, 4.12132024765015, 0.0, 0.0, 0.231628805398941, 5.0, 2.41421365737915, 0.0, 0.0, -0.00801251549273729, 0.0, 0.0, 4.0, 0.0, 3.32192802429199, -0.100561283528805, 0.0, 0.0, 0.0, 4.0, 1.35355341434479, 0.0, 0.0, 0.0, -0.0751581862568855, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0679175853729248, 0.0, 0.353553384542465, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.0200004577637, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 47.5800018310547, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.71997594833374, 0.0, 4.33237028121948, 14.0, 88.4239807128906, 0.0, 0.0, 0.0, 0.0, 2.60153388977051, 0.0, 3.33237051963806, 0.0, 75.6592254638672, 0.0, 0.0, 1.15432035923004, 2.33237051963806, 0.0, 0.0, 0.0, 54.120532989502, 0.0, 0.0, 0.493004471063614, 0.0, 1.35998809337616, 0.0, , 29.114709854126, 0.15811388194561, 0.0, 0.0, 10.7764472961426, 0.0353553406894207, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC8H19O3PS2%2Fc1-4-10-12%289%2C11-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3, 8.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.43566012382507 1.43566012382507, 0.742693245410919 0.742693245410919, 0.0, 2.31066012382507 2.31066012382507, 1.14154875278473 1.14154875278473, 0.0, 1.73299515247345 1.73299515247345, 0.0, 0.0, 0.0, 1.00915479660034 1.00915479660034, 0.0, 0.5, 15.0, 10.8639612197876, 0.0, 0.0, 0.444515347480774, 14.0, 6.6819806098938, 0.0, 0.0, -0.403440684080124, 0.0, 0.0, 8.31999969482422, 0.0, 4.80735492706299, 0.353955000638962, 0.926776707172394, 0.0, 0.0, 7.03999996185303, 5.12132024765015, 0.0, 0.0, 0.381571412086487, -0.172457680106163, 0.176776692271233, 0.0, 0.0, 3.3409903049469, 0.0, 3.74262523651123, -0.100829318165779, 0.0, 2.56066012382507, 0.0, 0.0, 0.0, 5.0, 1.24371838569641, 0.0, 0.0, 0.800000011920929, 0.728553414344788, 0.0, 0.0, 0.0, 1.0, 0.426776707172394, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 842.059997558594, 0.0, 0.0, 0.0, 180.0, 0.0, 0.0, 0.0, 0.0, 95.9400024414062, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 356.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70865225791931, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 2.0, 34.2293281555176, 0.0, 31.8642425537109, 56.0, 744.970886230469, 0.0, 0.0, 0.0, 0.0, 10.8809242248535, 0.0, 35.4026641845703, 0.0, 750.739501953125, 0.0, 0.0, 7.44073677062988, 31.5284862518311, 0.0, 0.456663846969604, 1.0, 807.718505859375, 2.0, 0.0, 5.5915355682373, 0.0, 28.2189464569092, 0.05592967197299, , 790.220275878906, 4.09670829772949, 0.0, 0.0, 720.290954589844, 3.15254950523376, 0.0, 3.0, 0.0, 0.0, 0.0, 2.18748736381531, 0.0, 0.0, 0.0, 0.0, 1.37570118904114, 0.0, 0.0, 0.932046473026276, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC20H14O4%2Fc21-19%2823-15-9-3-1-4-10-15%2917-13-7-8-14-18%2817%2920%2822%2924-16-11-5-2-6-12-16%2Fh1-14H, 0.0, 5.8963303565979, , , 0.0, , 0.0, 4.0, 2.69736766815186 2.69736766815186, 0.71330863237381 0.71330863237381, , 4.46129131317139 4.46129131317139, 0.911519050598145 0.911519050598145, , 6.21717643737793 6.21717643737793, 0.0, 0.0, 0.0, 0.950210809707642 0.950210809707642, 0.0, 0.200000002980232, 34.0, 16.777811050415, 0.0, 0.0, 0.525895595550537, 18.7810649871826, 11.7371835708618, 0.0, , -0.305021107196808, , 2.0, 9.62975788116455, 0.0, 5.58496236801147, 0.145109564065933, 1.15181839466095, 0.0, , 5.49702548980713, 10.0462102890015, , 0.0, 0.0, -0.0536241680383682, 0.0, , , 8.19638824462891, , 0.0, -0.312538027763367, 0.248005643486977, 6.84807586669922, 0.0, 0.0, 0.0, 0.0, 5.39965295791626, 0.0, 0.0, 0.857142865657806, 2.91657066345215, 0.0, , 0.0, 2.0, 2.0882031917572, 14.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1048.0400390625, 0.0919278040528297, 0.0, 0.0539669170975685, 508.0, , 0.0, , , 52.5999984741211, 0.0, 2.0, 0.461538463830948, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , , 1418.0, 0.0, 0.0, 0.287457466125488, 0.0, 0.240562617778778, , 0.0, 0.0, 17.9863452911377, 16.0, 0.0, , 20.5349636077881, , 0.0, , 0.0, , 0.0, 2.0, 27.0978755950928, 0.0, 27.9925518035889, 120.0, 1370.50927734375, 0.0, 0.0, 0.0, 0.0, 12.7158966064453, , 38.2056732177734, 0.200000002980232, 1562.65393066406, , 0.0, 7.37346220016479, 38.6492881774902, , 0.36375367641449, 1.26491105556488, 2047.15173339844, , 0.0, 4.95072793960571, , 37.9776573181152, 0.0, , 2022.57580566406, 3.27439975738525, , 0.0448895953595638, 1809.23840332031, 2.14022159576416, 0.0, 0.0, , 0.0, 0.0, 1.35236251354218, 0.0, 0.0, , 0.0, 0.542855203151703, 0.0, , 0.31149235367775, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H15NO%2Fc1-6%287%282%299%295-8%283%294%2Fh6H%2C5H2%2C1-4H3, 3.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.41222512722015 1.41222512722015, 0.762503206729889 0.762503206729889, 0.0, 1.05219888687134 1.05219888687134, 0.622258186340332 0.622258186340332, 0.0, 1.36082768440247 1.36082768440247, 0.0, 0.0, 0.0, 0.588755190372467 0.588755190372467, 0.0, 0.0, 8.0, 7.43915748596191, 0.0, 0.0, 0.217788726091385, 9.0, 4.03658103942871, 0.0, 0.0, -0.0859978199005127, 0.0, 1.0, 3.92000007629395, 0.0, 4.16992521286011, -0.0219308920204639, 0.977283895015717, 0.0, 0.0, 4.5, 3.85084986686707, 0.0, 0.0, 1.63976919651031, -0.0502094328403473, 0.0, 0.0, 0.0, 1.98126077651978, 0.0, 1.80720400810242, 0.0894733890891075, 0.235702261328697, 1.0157356262207, 0.0, 3.61440801620483, 0.0, 1.0, 0.544331073760986, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 457.019989013672, 0.0, 0.0, 0.0, 63.0, 0.0, 0.0, 0.0, 0.0, 20.3099994659424, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 96.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 10.1344566345215, 0.0, 8.83064746856689, 36.0, 389.071472167969, 0.0, 1.0, 0.0, 0.0, 6.6399188041687, 0.0, 10.8303689956665, 0.0, 388.790344238281, 0.0, 0.0, 3.18905282020569, 8.99655437469482, 0.0, 0.638203024864197, 0.0, 438.173309326172, 0.0, 0.0, 2.77394127845764, 0.0, 6.719651222229, 0.0, , 332.662445068359, 1.33299338817596, 0.0, 0.0833333358168602, 223.703430175781, 0.676277458667755, 0.0, 4.0, 0.0, 0.0, 0.0, 0.257109791040421, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H8O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-4H%2C5-6H2, 1.0, 1.0, , , , , 0.0, 2.0, 0.942809045314789 0.942809045314789, 0.383061289787292 0.383061289787292, , 1.5 1.5, 0.517322719097137 0.517322719097137, , 1.41421353816986 1.41421353816986, , 0.0, 0.0, 0.391456961631775 0.391456961631775, 0.0, 0.0, 9.0, 6.10444784164429, 0.0, , 0.163348972797394, 5.76000022888184, 4.46632671356201, 0.0, , -0.0787805616855621, , 0.0, 2.31952667236328, , 4.16992521286011, -0.00726826256141067, 0.333333343267441, , , 0.996539771556854, 3.73552012443542, , 0.0, 0.0, 0.00396911660209298, 0.0, , , 3.21632647514343, , 0.0, 0.000405217084335163, 0.0833333358168602, 2.68676519393921, 0.0, 0.0, 0.0, 2.0, 1.77903914451599, 0.0, 0.0, 0.333333343267441, 0.936856329441071, , , 0.0, , 0.560395419597626, 4.0, , 0.0, 0.0, 0.0, , , 0.0510310381650925, , 0.0, 252.009994506836, 0.0867033451795578, 0.0, 0.0820131227374077, 70.0, , 0.0, , , 9.22999954223633, 0.0, 1.0, 0.25, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 79.0, 0.117851130664349, 0.0, 0.25, 0.0, 0.294627815485001, , , , 6.86171770095825, 6.0, , , 6.6689920425415, , , , 0.0, , 0.0, , 9.77446937561035, , 10.6641836166382, 46.0, 446.05419921875, 0.0, 0.0, , 0.0, 5.13186311721802, , 13.9962759017944, 0.0, 506.601531982422, , 0.0, 3.17370295524597, 9.66418361663818, , 0.160987630486488, 0.0, 660.2373046875, , 0.0, 2.20618438720703, , 4.33209180831909, 0.0, , 429.914581298828, 1.6015739440918, , 0.0240562614053488, 172.57861328125, 1.12212014198303, , 0.0, , 0.0, 0.0, 0.609799146652222, , 0.0, , , 0.268060028553009, 0.0, , 0.133440062403679, 0.0, , 0.0, 
-InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.577350258827209 0.577350258827209, 0.742307484149933 0.742307484149933, 0.0, 0.288675129413605 0.288675129413605, 0.420848786830902 0.420848786830902, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 4.99156379699707, 0.0, 0.0, 0.149364098906517, 6.0, 2.80806040763855, 0.0, 0.0, -0.0248940158635378, 0.0, 0.0, 3.20000004768372, 0.0, 3.58496260643005, -0.0746820494532585, 0.288675129413605, 0.0, 0.0, 3.0, 1.92166829109192, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.39384686946869, 0.0, 0.0, 0.0248940158635378, 0.0, 0.288675129413605, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 70.0299987792969, 0.0, 0.0, 0.0, 29.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 31.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 1.0, 0.0, 0.0, 2.0, 3.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 29.1382598876953, 0.0, 10.8552122116089, 20.0, 310.086273193359, 0.0, 1.0, 0.0, 0.0, 5.39324426651001, 0.0, 12.8069496154785, 0.0, 289.183959960938, 0.0, 0.0, 3.07471776008606, 23.3289813995361, 0.0, 0.327326834201813, 0.0, 263.730133056641, 0.0, 0.0, 2.14031529426575, 0.0, 8.71275329589844, 0.0, , 160.229598999023, 1.70443499088287, 0.0, 0.0, 32.0823135375977, 0.371153742074966, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H9N%2Fc1-8-7-5-3-2-4-6-7%2Fh2-6%2C8H%2C1H3, 0.0, 0.0, , , , , 0.0, 1.0, 0.492799282073975 0.492799282073975, 0.179558381438255 0.179558381438255, , 0.594861328601837 0.594861328601837, 0.179558381438255 0.179558381438255, , 0.492799282073975 0.492799282073975, , 0.0, 0.0, 0.119705587625504 0.119705587625504, 0.0, 0.0, 7.0, 5.81999111175537, 0.0, , 0.064947322010994, 6.125, 3.9318516254425, 0.0, , -0.0366981513798237, , 0.0, 3.11111116409302, , 4.0, 0.000760839378926903, 0.20412415266037, 0.0, , 1.79999995231628, 2.91228413581848, , 0.0, 0.0, 0.00316668883897364, 0.0, , , 2.30209517478943, , 1.34123075008392, 0.000287009926978499, 0.0, 1.59538793563843, 0.0, 0.5, 0.0, 0.0, 1.10517168045044, 0.0, 0.0, 0.666666686534882, 0.348461717367172, , , 0.0, , 0.144337564706802, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 233.009994506836, 0.0320750139653683, 0.0, 0.0160375069826841, 60.0, , 0.0, , , 12.0299997329712, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, , 1.0, , 0.0, 0.0, 0.0, , , 64.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, , , , 6.08364343643188, 6.0, , , 3.04182171821594, , , , 0.0, , 0.0, , 8.35998821258545, , 8.33237075805664, 34.0, 367.6083984375, 0.0, 0.0, , 0.0, 4.88675117492676, , 9.33237075805664, 0.0, 382.603088378906, , 0.0, 2.66068363189697, 7.33237028121948, , 0.0833333358168602, 0.0, 429.981048583984, , 0.0, 1.61602544784546, , 3.16618514060974, 0.0, , 310.384857177734, 1.06246423721313, , 0.0, 113.60391998291, 0.604819536209106, , 1.0, , 0.0, 0.0, 0.344230681657791, , 0.0, , , 0.087630569934845, 0.0, , 0.0320750139653683, 0.0, , 0.0, 
-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, 2.0, 5.45069169998169, , , , , 0.0, 4.0, 3.5490882396698 3.5490882396698, 1.17342114448547 1.17342114448547, , 4.70939445495605 4.70939445495605, 1.32113432884216 1.32113432884216, , 6.65971517562866 6.65971517562866, , 0.0, 0.0, 1.50970101356506 1.50970101356506, 0.0, 0.0, 27.0, 13.1627721786499, 0.0, , 0.22732912003994, 15.0588235855103, 7.87911653518677, 0.0, , 0.0268490631133318, , 0.0, 6.25, , 5.08746290206909, -0.0362971648573875, 1.53365123271942, 0.0, , 3.48444437980652, 7.29187631607056, , 0.0, 0.333333343267441, -0.0635980367660522, 0.0, , , 5.67448854446411, , 2.00414514541626, -0.0861062854528427, 0.556109309196472, 4.01909255981445, 0.0, 3.34162521362305, 0.0, 1.0, 3.09193086624146, 0.0, 0.0, 0.75, 2.28388690948486, , , 0.0, , 1.02420079708099, 2.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 569.070007324219, 0.020833333954215, 0.0, 0.0399789810180664, 189.0, , 0.0, , , 111.870002746582, 0.0, 2.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 486.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.151780605316162, , 0.0, 0.0, 0.965489387512207, 6.0, , , 7.58543252944946, , , , 0.0, , 0.0, , 21.592321395874, , 19.8783264160156, 82.0, 832.905029296875, 0.0, 1.0, , 0.0, 9.41379165649414, , 28.2062301635742, 2.25160002708435, 959.470458984375, , 0.0, 5.03719806671143, 31.8712196350098, , 0.556980073451996, 0.0, 1311.34777832031, , 0.0, 3.72624516487122, , 31.2266788482666, 0.0, , 1368.63024902344, 2.65484857559204, , 0.115174107253551, 1111.48291015625, 1.46581435203552, , 2.0, , 0.0, 0.25, 0.944058418273926, , 0.0, , , 0.491028994321823, 0.0, , 0.21538071334362, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H12O2%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H%2C7%2C8%29, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.0456435456871986 0.0456435456871986, 0.0, 0.20412415266037 0.20412415266037, 0.0322748608887196 0.0322748608887196, 0.0, 0.144337564706802 0.144337564706802, 0.0, 0.0, 0.0, 0.0228217728435993 0.0228217728435993, 0.0, 0.0, 5.0, 6.40577745437622, 0.0, 0.0, 0.191857397556305, 8.0, 3.77005553245544, 0.0, 0.0, -0.0930832847952843, 0.0, 1.0, 5.14285707473755, 0.0, 4.0, 0.00166334968525916, 0.40824830532074, 0.0, 0.0, 7.19999980926514, 2.88962864875793, 0.0, 0.0, 0.0, -0.00427390495315194, 0.0, 0.0, 0.0, 1.38502776622772, 0.0, 1.80720400810242, -0.000228687931667082, 0.0, 0.80258584022522, 0.0, 0.200000002980232, 0.0, 4.0, 0.433012694120407, 0.0, 0.0, 1.0, 0.288675129413605, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 305.019989013672, 0.0, 0.0, 0.0, 65.0, 0.0, 0.0, 0.0, 0.0, 37.2999992370605, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 79.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.96540641784668, 4.0, 0.0, 0.0, 1.80720400810242, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 9.54893779754639, 0.0, 7.66418409347534, 28.0, 263.454132080078, 0.0, 0.0, 0.0, 0.0, 5.18388891220093, 0.0, 8.43865299224854, 0.5, 246.504547119141, 0.0, 0.0, 2.98839116096497, 5.66418409347534, 0.0, 0.0645497217774391, 0.0, 227.281463623047, 0.0, 0.0, 1.85084533691406, 0.0, 4.66418409347534, 0.0, , 167.610214233398, 0.994195580482483, 0.0, 0.0, 121.001556396484, 0.526225745677948, 0.0, 1.0, 0.0, 0.0, 0.0, 0.231932729482651, 1.0, 0.0, 0.0, 0.0, 0.106932736933231, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12O%2Fc1-3-4-6%282%295-7%2Fh5-6H%2C3-4H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.492799282073975 0.492799282073975, 0.262891709804535 0.262891709804535, 0.0, 0.40824830532074 0.40824830532074, 0.234708055853844 0.234708055853844, 0.0, 0.20412415266037 0.20412415266037, 0.0, 0.0, 0.0, 0.0680413842201233 0.0680413842201233, 0.0, 0.0, 5.0, 5.69867038726807, 0.0, 0.0, 0.130912274122238, 7.0, 3.30806040763855, 0.0, 0.0, -0.045258566737175, 0.0, 0.0, 4.16666650772095, 0.0, 3.80735492706299, -0.0154181504622102, 0.288675129413605, 0.0, 0.0, 3.83999991416931, 2.30209517478943, 0.0, 0.0, 0.25, -0.00464252661913633, 0.0, 0.0, 0.0, 1.47839784622192, 0.0, 2.80396580696106, -0.000132932371343486, 0.0, 0.696923434734344, 0.0, 1.15470051765442, 0.0, 2.0, 0.20412415266037, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 282.010009765625, 0.0, 0.0, 0.0, 45.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 1.0, 1.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 50.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.65096366405487, 2.0, 0.0, 0.0, 2.38110160827637, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.77446889877319, 0.0, 6.33209180831909, 24.0, 251.056671142578, 0.0, 1.0, 0.0, 0.0, 4.97716236114502, 0.0, 6.33209180831909, 0.0, 236.508590698242, 0.0, 0.0, 2.76174092292786, 5.66418409347534, 0.0, 0.235702261328697, 0.0, 223.773666381836, 0.0, 0.0, 1.90204179286957, 0.0, 3.33209204673767, 0.0, , 158.150299072266, 0.976324737071991, 0.0, 0.0, 81.7848892211914, 0.52338320016861, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H4N2O5%2Fc9-6-4%287%2810%2911%292-1-3-5%286%298%2812%2913%2Fh1-3%2C9H, 0.0, 2.38110160827637, , , , , 0.0, 3.0, 2.51677393913269 2.51677393913269, 0.497080266475677 0.497080266475677, , 3.77983808517456 3.77983808517456, 0.537392854690552 0.537392854690552, , 4.35032272338867 4.35032272338867, , 0.0, 0.0, 0.488930910825729 0.488930910825729, 0.0, 0.0, 19.0, 10.0080718994141, 0.0, , 0.244099229574203, 11.0769233703613, 6.03658103942871, 0.0, , 0.0460187047719955, , 0.0, 4.48148155212402, , 4.70043992996216, -0.0845380425453186, 1.13128232955933, 0.0, , 2.47933888435364, 5.60576343536377, , 0.0, 0.0, -0.127675920724869, 0.0, , , 4.13821697235107, , 0.0, 0.010563307441771, 0.429300367832184, 3.31346035003662, 0.0, 0.0, 0.0, 0.0, 1.93341875076294, 0.0, 0.0, 1.0, 1.08348917961121, , , 0.0, , 0.54997193813324, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 133.070007324219, 0.0240562614053488, 0.0, 0.0322748608887196, 119.0, , 0.0, , , 111.870002746582, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 234.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.146608799695969, , , 0.0, 2.38110160827637, 6.0, , , 4.58575630187988, , , , 0.0, , 0.0, , 17.592321395874, , 15.8783264160156, 62.0, 475.940338134766, 0.0, 0.0, , 0.0, 6.20668458938599, , 22.2062301635742, 2.44179677963257, 544.065551757812, , 0.0, 3.14513397216797, 24.0925922393799, , 0.259536743164062, 0.0, 721.124938964844, , 0.0, 2.15909051895142, , 22.7790622711182, 0.0, , 680.466613769531, 1.38682103157043, , 0.0503840893507004, 436.848754882812, 0.814142048358917, , 0.0, , 0.0, 0.25, 0.431473970413208, , 0.0, , , 0.156404346227646, 0.0, , 0.0604724064469337, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC8H7ClO2%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5H%2C1H3, 0.0, 1.31037068367004, , , , , 0.0, 2.0, 1.49750399589539 1.49750399589539, 0.472263514995575 0.472263514995575, , 1.6887115240097 1.6887115240097, 0.436471730470657 0.436471730470657, , 1.85322630405426 1.85322630405426, , 0.0, 0.0, 0.440813153982162 0.440813153982162, 0.0, 0.0, 13.0, 8.26758480072021, 0.0, , 0.314682841300964, 9.09090900421143, 5.23638200759888, 0.0, , -0.194319486618042, , 1.0, 4.13265323638916, , 4.45943164825439, 0.0864085406064987, 0.6910440325737, 0.0, , 2.5, 4.40548419952393, , 0.0, 0.0, -0.0270384233444929, 0.0, , , 3.509202003479, , 0.894427180290222, -0.00654710503295064, 0.117851130664349, 2.18823194503784, 0.0, 0.908560276031494, 0.0, 0.0, 1.62847018241882, 0.0, 0.0, 0.75, 0.959815144538879, , , 0.0, , 0.396574229001999, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 214.029998779297, 0.0277777779847383, 0.0, 0.0453859269618988, 113.0, , 0.0, , , 26.2999992370605, 0.0, 1.0, 0.428571432828903, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 160.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, , , , 3.30192732810974, 5.0, , , 7.06555128097534, , , , 0.0, , 0.0, , 20.2616920471191, , 13.9480133056641, 50.0, 539.812255859375, 0.0, 0.0, , 0.0, 6.75979089736938, , 19.3421268463135, 0.0, 587.377868652344, , 0.0, 3.45481038093567, 18.5639343261719, , 0.313982248306274, 0.5, 724.135009765625, , 0.0, 2.43491053581238, , 11.2801055908203, 0.0, , 607.418395996094, 1.51729559898376, , 0.0138888889923692, 337.951782226562, 0.829810678958893, , 1.0, , 0.0, 0.0, 0.554462015628815, , 0.0, , , 0.241227939724922, 0.0, , 0.0808981508016586, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC6HBr5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H, 0.0, 9.12546539306641, , , , , 0.0, 6.0, 3.64273452758789 3.64273452758789, 5.57967519760132 5.57967519760132, , 4.97606754302979 4.97606754302979, 8.74642276763916 8.74642276763916, , 7.01965713500977 7.01965713500977, , 0.0, 0.0, 12.4502077102661 12.4502077102661, 0.0, 0.0, 21.0, 9.46410179138184, 0.0, , 0.258647561073303, 10.0833330154419, 5.46410179138184, 0.0, , -0.00385117204859853, , 0.0, 3.3950617313385, , 4.58496236801147, -0.125095769762993, 1.15470051765442, , , 1.5625, 5.154700756073, , 0.0, 0.0, -0.0619457438588142, 0.0, , , 4.97606754302979, , 0.0, -1.02526137197856e-05, 0.666666686534882, 2.87293410301208, 0.0, 0.0, 0.0, 0.0, 1.65868926048279, 0.0, 0.0, 0.25, 0.829344630241394, , , 0.0, , 0.222222223877907, 0.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 37.060001373291, 0.015625, 0.0, 0.160422161221504, 102.0, , 0.0, , , 20.2299995422363, 0.0, 0.0, 0.200000002980232, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 174.0, 0.0, 0.0, 0.0370370373129845, 0.0, 0.222222223877907, , , , 0.0, 6.0, , , 0.0, , , , 0.0, , 0.0, , 229.064926147461, , 40.5954704284668, 60.0, 1527.14990234375, 0.0, 0.0, , 0.0, 13.2670183181763, , 75.1909408569336, 0.0, 1759.91882324219, , 0.0, 6.63350915908813, 266.947265625, , 1.28337728977203, 0.0, 2456.0107421875, , 0.0, 5.88350915908813, , 229.351776123047, 0.0, , 2390.1748046875, 7.23805236816406, , 1.07407450675964, 1162.45166015625, 3.61902618408203, , 0.0, , 0.0, 0.0, 1.80951309204102, , 0.0, , , 0.857881546020508, 0.0, , 0.268518626689911, 0.0, , 0.0, 
-InChI%3D1S%2FC9H14O3%2Fc1-7%282%299%2810%2912-6-8-4-3-5-11-8%2Fh8H%2C1%2C3-6H2%2C2H3, 3.0, 1.31037068367004, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.64011943340302 1.64011943340302, 0.459708988666534 0.459708988666534, 0.0, 1.18986868858337 1.18986868858337, 0.387211829423904 0.387211829423904, 0.0, 0.985059142112732 0.985059142112732, 0.0, 0.0, 0.0, 0.202289432287216 0.202289432287216, 0.0, 0.333333343267441, 11.0, 8.97469139099121, 0.0, 0.0, 0.445106387138367, 10.0833330154419, 5.69837713241577, 0.0, 0.0, -0.265867084264755, 0.0, 2.0, 4.88888883590698, 0.0, 4.58496236801147, 0.0227506589144468, 0.773159742355347, 0.0, 0.0, 3.515625, 4.94913339614868, 0.0, 0.0, 0.5, 0.107959978282452, 0.0, 0.0, 0.0, 3.64307284355164, 0.0, 1.36611783504486, -0.170092031359673, 0.235702261328697, 2.1309654712677, 0.0, 2.78495335578918, 0.0, 4.0, 1.13915002346039, 0.0, 0.0, 0.75, 0.797245919704437, 0.0, 0.0, 0.0, 1.0, 0.461675941944122, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.0, 544.030029296875, 0.0589255653321743, 0.0, 0.0240562614053488, 136.0, 0.0, 1.0, 0.0, 0.0, 35.5299987792969, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 223.0, 0.144337564706802, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, 0.0, 0.0, 0.0, 3.30192732810974, 3.0, 0.0, 0.0, 4.06965494155884, 0.0, 0.0, 0.0, 1.0, , 0.0, 2.0, 14.3234071731567, 0.0, 13.6604595184326, 54.0, 506.88427734375, 0.0, 1.0, 0.0, 0.0, 7.33762884140015, 0.0, 17.7670211791992, 0.0, 537.266418457031, 0.0, 0.0, 4.14135074615479, 13.7670211791992, 0.0, 0.336294502019882, 0.63245552778244, 638.505493164062, 0.0, 0.0, 3.01381969451904, 0.0, 9.32836818695068, 0.0, , 443.938842773438, 1.77277231216431, 0.0, 0.0294627826660872, 347.950439453125, 1.06761682033539, 0.0, 1.0, 0.0, 0.0, 0.0, 0.432068049907684, 0.0, 0.0, 0.0, 0.0, 0.233612984418869, 0.0, 0.0, 0.122363425791264, 2.0, 0.0, 0.0, 0.0
-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, 3.0, 5.31624794006348, , , , , 2.38249540328979, 3.0, 3.77821469306946 3.77821469306946, 2.27008318901062 2.27008318901062, , 5.5912127494812 5.5912127494812, 2.46572494506836 2.46572494506836, , 7.23982620239258 7.23982620239258, , 0.0, 0.0, 2.89146399497986 2.89146399497986, 0.0, 0.200000002980232, 34.0, 18.7338409423828, 0.0, , 0.481976836919785, 20.7270412445068, 12.3750476837158, 0.0, , -0.267454773187637, , 2.0, 9.0, , 5.70043992996216, 0.0712190046906471, 2.38108277320862, 0.0, , 5.51770114898682, 11.7762222290039, , 0.0, 0.5, -0.022918438538909, 0.16666667163372, , , 8.62395191192627, , 2.66794109344482, -0.0495977886021137, 0.282117545604706, 7.03526210784912, 0.0, 3.33362126350403, 0.136082768440247, 1.0, 5.55336618423462, 0.0, 2.0, 0.875, 3.16624927520752, , , 0.1666666716337204, 1.0, 2.08709526062012, 9.0, 0.0, 0.5128917098045349, 0.0, 0.0, 0.0, 0.0, 0.407229274511337, , 1.0, 1654.05004882812, 0.584890842437744, 0.0, 0.644676744937897, 644.0, , 0.0, , , 35.5299987792969, 1.0, 3.0, 0.466666668653488, 0.1666666716337204, 0.0, 0.0, 0.0, , 0.5474095344543457, 0.0, 1.0, , , 1945.0, 0.496193736791611, 0.0, 1.1257266998291, 1.0, 1.37706232070923, , 0.0, 0.0, 13.4274263381958, 11.0, , , 16.5227203369141, , 0.0, , 0.0, , 1.5474466085434, 2.0, 43.7489128112793, , 33.5639343261719, 136.0, 1666.56994628906, 0.0, 2.0, 0.0, 0.0, 16.1278419494629, , 51.7153396606445, 0.0, 1928.92138671875, , 0.0, 9.14603614807129, 41.5564880371094, , 1.76344215869904, 0.534522473812103, 2411.59497070312, , 0.0, 7.95922899246216, , 44.7920532226562, 0.16666667163372, , 2218.34399414062, 4.81392240524292, , 0.193447262048721, 2065.16577148438, 3.14340925216675, , 2.0, , 0.0962250456213951, 0.0, 2.2006471157074, 0.0, 0.0, , , 1.0022120475769, 0.0, , 0.467383503913879, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H14O%2Fc1-6%282%294-5-7%283%298%2Fh6H%2C4-5H2%2C1-3H3, 3.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.577350258827209 0.577350258827209, 0.39073720574379 0.39073720574379, 0.0, 0.333333343267441 0.333333343267441, 0.203263133764267 0.203263133764267, 0.0, 0.666666686534882 0.666666686534882, 0.0, 0.0, 0.0, 0.321114271879196 0.321114271879196, 0.0, 0.0, 5.0, 6.56891393661499, 0.0, 0.0, 0.121041633188725, 8.0, 3.62589764595032, 0.0, 0.0, -0.0234892535954714, 0.0, 1.0, 3.9375, 0.0, 4.0, -0.0351933613419533, 0.816496610641479, 0.0, 0.0, 7.19999980926514, 3.3650438785553, 0.0, 0.0, 0.814325273036957, -0.00173097860533744, 0.0, 0.0, 0.0, 1.32136726379395, 0.0, 2.44948983192444, -0.000100790450233035, 0.0, 0.666666686534882, 0.0, 3.0, 0.0, 2.0, 0.666666686534882, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 385.010009765625, 0.0, 0.0, 0.0, 56.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 74.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 0.0, 2.82842707633972, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 8.77446937561035, 0.0, 7.33209180831909, 30.0, 313.605926513672, 0.0, 1.0, 0.0, 0.0, 5.8998122215271, 0.0, 8.66418361663818, 0.0, 300.544494628906, 0.0, 0.0, 3.12062644958496, 5.33209180831909, 0.0, 0.55258584022522, 0.0, 307.407562255859, 0.0, 0.0, 2.63453698158264, 0.0, 4.33209180831909, 0.0, , 199.481750488281, 1.0737498998642, 0.0, 0.0, 143.55419921875, 0.491938263177872, 0.0, 3.0, 0.0, 0.0, 0.0, 0.406526267528534, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H3Cl3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.06066012382507 1.06066012382507, 0.609867811203003 0.609867811203003, 0.0, 0.353553384542465 0.353553384542465, 0.230508372187614 0.230508372187614, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 5.207106590271, 0.0, 0.0, 0.239392504096031, 6.0, 2.56066012382507, 0.0, 0.0, -0.0809684842824936, 0.0, 0.0, 1.63265311717987, 0.0, 3.58496260643005, -0.111551217734814, 1.56066012382507, 0.0, 0.0, 5.33333349227905, 2.91421365737915, 0.0, 0.0, 0.0, 0.0728234425187111, 0.353553384542465, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 34.0400009155273, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 28.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 29.9127292633057, 0.0, 11.1873044967651, 24.0, 309.586181640625, 0.0, 0.0, 0.0, 0.0, 5.05600070953369, 0.0, 36.3255653381348, 0.0, 307.542694091797, 0.0, 0.0, 2.37062120437622, 11.7959566116333, 0.0, 2.09263730049133, 0.0, 328.031677246094, 0.0, 0.0, 3.28936100006104, 0.0, 0.0, 0.515432417392731, , 96.1585922241211, 0.537852883338928, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H8O%2Fc11-10-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7%2C11H, 0.0, 2.38110160827637, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.44017744064331 1.44017744064331, 0.491756230592728 0.491756230592728, 0.0, 2.34362530708313 2.34362530708313, 0.650328814983368 0.650328814983368, , 3.03280854225159 3.03280854225159, 0.0, 0.0, 0.0, 0.681792080402374 0.681792080402374, 0.0, 0.0, 15.0, 7.68179845809937, 0.0, 0.0, 0.0752628296613693, 7.63888883590698, 5.37700986862183, 0.0, 0.0, -0.0240395814180374, 0.0, 0.0, 3.1640625, 0.0, 4.45943164825439, -0.0120749454945326, 0.538451671600342, 0.0, 0.0, 1.451247215271, 4.61657905578613, 0.0, 0.0, 0.0, -0.00144913629628718, 0.0, , 0.0, 3.93315386772156, 0.0, 0.0, -6.74873081152327e-05, 0.164266422390938, 3.25998306274414, 0.0, 0.0, 0.0, 0.0, 2.51337766647339, 0.0, 0.0, 0.666666686534882, 1.37143313884735, 0.0, 0.0, 0.0, 0.0, 0.810480415821075, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 290.010009765625, 0.0518340393900871, 0.0, 0.068462461233139, 99.0, 0.0, 0.0, 0.0, , 20.2299995422363, 0.0, 2.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 140.0, 0.0, 0.0, 0.151374712586403, 0.0, 0.27130451798439, 0.0, 0.0, 0.0, 8.73702907562256, 8.0, 0.0, 0.0, 10.127366065979, 0.0, 0.0, , 0.0, , 0.0, 0.0, 11.7744693756104, 0.0, 12.3320922851562, 56.0, 626.8232421875, 2.0, 0.0, 0.0, 0.0, 5.98866558074951, 0.0, 16.6641845703125, 0.0, 718.60205078125, , 0.0, 3.54497408866882, 15.9962759017944, 0.0, 0.220051839947701, 0.0, 954.6337890625, 0.0, 0.0, 2.49827432632446, 0.0, 9.99627590179443, 0.0, , 833.53857421875, 1.76662147045135, 0.0, 0.0426901616156101, 431.436798095703, 1.20831203460693, 0.0, 0.0, 0.0, 0.0, 0.0, 0.781921207904816, 1.0, 0.0, 0.0, 0.0, 0.333568274974823, 0.0, 0.0, 0.164222106337547, 0.0, 0.0, 0.0, 0.0
-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, 0.0, 3.14734530448914, , , , , 0.0, 1.0, 1.81439781188965 1.81439781188965, 0.570337891578674 0.570337891578674, , 2.83498930931091 2.83498930931091, 0.765579283237457 0.765579283237457, , 3.97108125686646 3.97108125686646, 0.0, 0.0, 0.0, 0.857429087162018 0.857429087162018, 0.0, 0.0, 21.0, 10.6733617782593, 0.0, 0.0, 0.29770827293396, 11.484375, 7.30886173248291, 0.0, , -0.271495074033737, , 1.0, 5.36507940292358, , 4.90689039230347, 0.212136849761009, 0.75809121131897, 0.0, , 2.76543211936951, 6.14849710464478, , 0.0, 0.0, -0.097599595785141, 0.0, , , 5.12524175643921, , 1.07576775550842, 0.000479903683299199, 0.136082768440247, 4.04780149459839, 0.0, 1.01626551151276, 0.0, 0.0, 3.36411070823669, 0.0, 0.0, 1.0, 2.09264492988586, 0.0, , 0.0, 0.0, 1.38631558418274, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 519.030029296875, 0.0518340393900871, 0.0, 0.0675251036882401, 194.0, , 0.0, , , 41.8199996948242, 0.0, 2.0, 0.5, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, , , 362.0, 0.0, 0.0, 0.151374712586403, 0.0, 0.251375645399094, , 0.0, 0.0, 8.73702907562256, 8.0, 0.0, , 11.1401453018188, , 0.0, , 0.0, , 0.0, 1.0, 16.9089260101318, , 17.3286457061768, 74.0, 846.215026855469, 2.0, 0.0, 0.0, 0.0, 8.3441276550293, , 23.5455856323242, 0.0, 968.264526367188, , 0.0, 4.62404251098633, 23.1587371826172, , 0.255252510309219, 0.5, 1294.69812011719, , 0.0, 3.08552765846252, , 18.9928302764893, 0.0, , 1243.97448730469, 2.14216327667236, , 0.0410666055977345, 913.325561523438, 1.42868208885193, 0.0, 1.0, , 0.0, 0.0, 0.969816863536835, 1.0, 0.0, , 0.0, 0.464180260896683, 0.0, , 0.250395506620407, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC4H5N%2Fc1-2-4-5-3-1%2Fh1-5H, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.5355339050293, 0.0, 0.0, 0.0641189962625504, 3.20000004768372, 2.5, 0.0, 0.0, -0.0346897058188915, 0.0, 0.0, 1.44000005722046, 0.0, 3.32192802429199, 0.00263020768761635, 0.0, 1.0, 0.0, 0.639999985694885, 1.76776695251465, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.25, 0.0, 0.0, 0.0, 0.0, 0.883883476257324, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0496903993189335, 0.0, 0.0, 61.0099983215332, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 0.0, 12.8900003433228, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 4.24264049530029, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.35998821258545, 0.0, 5.33237028121948, 20.0, 127.765205383301, 0.0, 0.0, 0.0, 0.0, 2.75661468505859, 0.0, 5.33237028121948, 0.0, 127.721084594727, 0.0, 0.0, 1.51639783382416, 0.0, 0.0, 0.0, 0.0, 127.682762145996, 0.0, 0.0, 0.832113802433014, 0.0, 0.0, 0.0, , 0.0, 0.455376297235489, 0.0, 0.0, 0.0, 0.248451992869377, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H13N%2Fc1-10%282%298-9-6-4-3-5-7-9%2Fh3-7H%2C8H2%2C1-2H3, 1.0, 0.0, , , , , 0.0, 1.0, 0.642228543758392 0.642228543758392, 0.346901267766953 0.346901267766953, , 1.04188847541809 1.04188847541809, 0.466692626476288 0.466692626476288, , 1.09341299533844 1.09341299533844, , 0.0, 0.0, 0.405688256025314 0.405688256025314, 0.0, 0.0, 9.0, 7.39734125137329, 0.0, , 0.0947397202253342, 8.10000038146973, 4.7876935005188, 0.0, , -0.0669584646821022, , 0.0, 4.0, , 4.32192802429199, 0.0169917605817318, 0.61237245798111, 0.0, , 3.11111116409302, 4.13358497619629, , 0.0, 0.5, 0.0021432067733258, 0.0, , , 2.5294828414917, , 2.92173647880554, 0.000440557341789827, 0.0, 2.08950853347778, 0.0, 0.666666686534882, 0.0, 1.0, 1.45456779003143, 0.0, 0.0, 1.0, 0.595522046089172, , , 0.0, , 0.319035589694977, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 439.010009765625, 0.0320750139653683, 0.0, 0.0226804614067078, 92.0, , 0.0, , , 3.24000000953674, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 126.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, , , 0.0, 7.73231601715088, 5.0, , , 3.96540641784668, , , , 0.0, , 0.0, , 10.3599882125854, , 10.498556137085, 44.0, 513.306396484375, 0.0, 0.0, , 0.0, 6.54107189178467, , 12.1661853790283, 0.0, 541.115295410156, , 0.0, 3.47489190101624, 9.33237075805664, , 0.434078902006149, 0.0, 632.831604003906, , 0.0, 2.72338151931763, , 7.33237028121948, 0.0, , 483.605621337891, 1.34162664413452, , 0.0, 329.042205810547, 0.948568224906921, , 2.0, , 0.0, 0.0, 0.542694091796875, , 0.0, , , 0.20221346616745, 0.0, , 0.0905588567256927, 0.0, 0.0, 0.0, 
-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, 1.0, 0.333333343267441, , , , , 0.0, 2.0, 0.841260969638824 0.841260969638824, 0.33052721619606 0.33052721619606, , 0.95495480298996 0.95495480298996, 0.35010626912117 0.35010626912117, , 1.23672640323639 1.23672640323639, , 0.0, 0.0, 0.379105448722839 0.379105448722839, 0.0, 0.0, 15.0, 10.9328746795654, 0.0, , 0.0269772820174694, 13.0666666030884, 7.3256983757019, 0.0, , -0.0086592398583889, , 0.0, 8.18685150146484, , 4.90689039230347, -0.00447222637012601, 0.492799282073975, 0.0, , 6.22222232818604, 5.68233966827393, , 0.0, 0.0, -0.000343370455084369, 0.0, , , 4.10135412216187, , 2.23610019683838, -1.36019343699445e-05, 0.0, 2.83113312721252, 0.0, 0.213200718164444, 0.0, 7.0, 2.24182486534119, 0.0, 0.0, 1.0, 1.26111900806427, , , 0.0, , 0.711394667625427, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 1234.01000976562, 0.0277777779847383, 0.0, 0.0356793627142906, 273.0, , 0.0, , , 26.0200004577637, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 482.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , 0.0, 0.0, 16.5537014007568, 12.0, , , 7.18781900405884, , 0.0, , 0.0, , 0.0, , 15.3599882125854, , 15.1661853790283, 64.0, 820.332092285156, 0.0, 0.0, , 0.0, 9.83649921417236, , 17.3323707580566, 0.0, 855.466979980469, , 1.0, 6.17070245742798, 15.3323707580566, , 0.214076176285744, 0.0, 967.180419921875, , 0.0, 4.25934839248657, , 11.1661853790283, 0.0, , 848.259399414062, 2.79872441291809, , 0.0, 624.612548828125, 1.79375827312469, , 1.0, , 0.0, 0.0, 1.21899211406708, , 0.0, , , 0.687793076038361, 0.0, , 0.401162683963776, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC3H7ClO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.207019671797752 0.207019671797752, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.28445720672607, 0.0, 0.0, 0.133770808577538, 5.0, 2.27005553245544, 0.0, 0.0, -0.0292726382613182, 0.0, 0.0, 2.25, 0.0, 3.32192802429199, -0.066565178334713, 0.40824830532074, 0.0, 0.0, 4.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0289524141699076, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 101.019996643066, 0.0, 0.0, 0.0, 19.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 13.4872226715088, 0.0, 6.28382921218872, 16.0, 160.477310180664, 0.0, 1.0, 0.0, 0.0, 3.8655641078949, 0.0, 6.61592149734497, 0.0, 141.305999755859, 0.0, 0.0, 2.04558110237122, 6.88372325897217, 0.0, 0.182574182748795, 0.0, 121.043785095215, 0.0, 0.0, 1.31193137168884, 0.0, 0.0, 0.0, , 48.7888107299805, 0.66992974281311, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H8ClN%2Fc1-5-2-3-7%289%296%288%294-5%2Fh2-4H%2C9H2%2C1H3, 1.0, 1.65096366405487, , , , , 0.0, 3.0, 1.47827804088593 1.47827804088593, 0.641088485717773 0.641088485717773, , 1.55802857875824 1.55802857875824, 0.640950441360474 0.640950441360474, , 2.07593297958374 2.07593297958374, , 0.0, 0.0, 0.670455992221832 0.670455992221832, 0.0, 0.0, 10.0, 6.85337114334106, 0.0, , 0.0737103074789047, 7.11111116409302, 4.19837713241577, 0.0, , -0.0153114460408688, , 0.0, 2.72222232818604, , 4.16992521286011, -0.035903200507164, 0.760079681873322, , , 1.70414197444916, 3.87279200553894, , 0.0, 0.0, 0.0148939583450556, 0.0, , , 2.86036610603333, , 1.31037068367004, -0.00052586494712159, 0.16666667163372, 1.81676292419434, 0.0, 1.31037068367004, 0.0, 0.0, 1.33160018920898, 0.0, 0.0, 0.666666686534882, 0.504473328590393, , , 0.0, , 0.0680413842201233, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 217.020004272461, 0.0240562614053488, 0.0, 0.0652223899960518, 67.0, , 0.0, , , 26.0200004577637, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 84.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.20412415266037, , , , 1.65096366405487, 5.0, , , 5.85380077362061, , , , 0.0, , 0.0, , 17.0727424621582, , 11.1179227828979, 42.0, 510.823852539062, 0.0, 0.0, , 0.0, 5.94329452514648, , 16.2358455657959, 0.0, 554.21533203125, , 1.0, 3.09365582466125, 16.6781177520752, , 0.413663417100906, 0.0, 694.37548828125, , 0.0, 2.43216729164124, , 8.06966018676758, 0.0, , 528.603393554688, 1.48328006267548, , 0.0545544736087322, 185.205307006836, 0.86726450920105, , 1.0, , 0.0, 0.0, 0.471084147691727, , 0.0, , , 0.177690327167511, 0.0, , 0.0157485194504261, 0.0, , 0.0, 
-InChI%3D1S%2FC7H10N2%2Fc1-9%282%297-5-3-4-6-8-7%2Fh3-6H%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.04044008255005 1.04044008255005, 0.411236166954041 0.411236166954041, 0.0, 1.05473780632019 1.05473780632019, 0.323338985443115 0.323338985443115, 0.0, 1.04044008255005 1.04044008255005, 0.0, 0.0, 0.0, 0.264457643032074 0.264457643032074, 0.0, 0.0, 9.0, 6.69023466110229, 0.0, 0.0, 0.151297718286514, 7.11111116409302, 4.30453062057495, 0.0, 0.0, -0.119498357176781, 0.0, 0.0, 3.23966932296753, 0.0, 4.16992521286011, 0.0785249769687653, 0.5, 0.0, 0.0, 2.0, 3.6421070098877, 0.0, 0.0, 0.5, -0.0503826029598713, 0.0, 0.0, 0.0, 2.59263896942139, 0.0, 2.03253102302551, 0.0122690191492438, 0.16666667163372, 1.80083346366882, 0.0, 1.0, 0.0, 0.0, 1.25044357776642, 0.0, 0.0, 0.666666686534882, 0.451184451580048, 0.0, 0.0, 0.0, 0.0, 0.235702261328697, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 289.019989013672, 0.0248451996594667, 0.0, 0.0111111113801599, 69.0, 0.0, 0.0, 0.0, 0.0, 16.1299991607666, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 88.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0589255653321743, 0.0, 1.0, 0.0, 3.96540641784668, 3.0, 0.0, 0.0, 2.14913988113403, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 9.7199764251709, 0.0, 9.83092594146729, 40.0, 425.157196044922, 0.0, 0.0, 0.0, 0.0, 5.70382833480835, 0.0, 11.8585433959961, 0.0, 449.852203369141, 0.0, 0.0, 2.88851475715637, 9.83092594146729, 0.0, 0.281341820955276, 0.0, 533.807495117188, 0.0, 0.0, 2.08236360549927, 0.0, 5.16618537902832, 0.0, , 414.230834960938, 1.10747873783112, 0.0, 0.0577350258827209, 203.974960327148, 0.618286311626434, 0.0, 2.0, 0.0, 0.0, 0.0, 0.345894366502762, 0.0, 0.0, 0.0, 0.0, 0.110402636229992, 0.0, 0.0, 0.0444444455206394, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H14S2%2Fc1-3-7-5-6-8-4-2%2Fh3-6H2%2C1-2H3, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 5.0, 6.24264049530029, 0.0, 0.0, 0.0553488358855247, 8.0, 3.91421365737915, 0.0, 0.0, -0.0290999952703714, 0.0, 0.0, 7.0, 0.0, 4.0, -0.0148008465766907, 0.0, 0.0, 0.0, 7.19999980926514, 2.41421365737915, 0.0, 0.0, 0.142857149243355, 0.029118612408638, 0.0, 0.0, 0.0, 1.45710682868958, 0.0, 2.74635624885559, -0.014318723231554, 0.0, 0.853553414344788, 0.0, 0.0, 0.0, 4.0, 0.478553384542465, 0.0, 0.0, 0.75, 0.25, 0.0, 0.0, 0.0, 0.0, 0.125, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 385.019989013672, 0.0, 0.0, 0.0, 74.0, 0.0, 0.0, 0.0, 0.0, 50.5999984741211, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 84.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.52506470680237, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 20.2555065155029, 0.0, 13.6791410446167, 26.0, 556.8154296875, 0.0, 0.0, 0.0, 0.0, 7.27791690826416, 0.0, 12.6791410446167, 0.0, 513.476379394531, 0.0, 0.0, 5.37831497192383, 11.1277532577515, 0.0, 0.0, 0.0, 440.308624267578, 2.0, 0.0, 4.18154048919678, 0.0, 7.33957052230835, 0.0, , 358.424713134766, 2.84077024459839, 0.0, 0.0, 264.519897460938, 1.92668557167053, 0.0, 2.0, 0.0, 0.0, 0.0, 1.43566012382507, 0.0, 0.0, 0.0, 0.0, 0.75, 0.0, 0.0, 0.375, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29, 1.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.985598564147949 0.985598564147949, 0.444746911525726 0.444746911525726, 0.0, 0.643950521945953 0.643950521945953, 0.195091232657433 0.195091232657433, 0.0, 0.638071179389954 0.638071179389954, 0.0, 0.0, 0.0, 0.135339453816414 0.135339453816414, 0.0, 0.0, 9.0, 7.98312759399414, 0.0, 0.0, 0.279083609580994, 10.0, 4.70190715789795, 0.0, 0.0, -0.215917870402336, 0.0, 2.0, 5.76000022888184, 0.0, 4.32192802429199, 0.0902719870209694, 0.577350258827209, 0.0, 0.0, 5.53086423873901, 3.60419034957886, 0.0, 0.0, 0.598408460617065, 0.0347242802381516, 0.0, 0.0, 0.0, 2.54611206054688, 0.0, 0.0, -0.0830821320414543, 0.0, 0.977283895015717, 0.0, 2.21041893959045, 0.0, 0.0, 0.721404492855072, 0.0, 0.0, 0.75, 0.402368932962418, 0.0, 0.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 271.049987792969, 0.0, 0.0, 0.0, 96.0, 0.0, 0.0, 0.0, 0.0, 79.4800033569336, 0.0, 0.0, 0.428571432828903, 0.0, 0.333333343267441, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 141.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 18.3966674804688, 0.0, 14.0557765960693, 38.0, 450.91650390625, 0.0, 0.0, 0.0, 0.0, 6.97463417053223, 0.0, 16.3291130065918, 0.0, 435.928314208984, 0.0, 0.0, 3.84184956550598, 13.6323146820068, 0.0, 0.314686119556427, 0.5, 451.004272460938, 1.0, 0.0, 2.41096806526184, 0.0, 8.66633987426758, 0.0, , 377.007293701172, 1.40790450572968, 0.0, 0.0, 265.070159912109, 0.294998288154602, 0.0, 3.0, 0.0, 0.0, 0.0, 0.167138949036598, 1.0, 0.0, 0.0, 0.0, 0.0954124182462692, 0.0, 0.0, 0.025000000372529, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC16H22O4%2Fc1-3-5-11-19-15%2817%2913-7-9-14%2810-8-13%2916%2818%2920-12-6-4-2%2Fh7-10H%2C3-6%2C11-12H2%2C1-2H3, 4.0, 2.40685200691223, , , , , 0.0, 2.0, 2.04044008255005 2.04044008255005, 0.483683466911316 0.483683466911316, , 2.58874797821045 2.58874797821045, 0.522291541099548 0.522291541099548, , 2.9657027721405 2.9657027721405, , 0.0, 0.0, 0.523720979690552 0.523720979690552, 0.0, 0.142857149243355, 25.0, 14.7946825027466, 0.0, , 0.532712996006012, 18.0499992370605, 9.6850700378418, 0.0, , -0.337038666009903, , 2.0, 10.6875, , 5.32192802429199, 0.139876455068588, 0.804737865924835, 0.0, , 7.02551031112671, 7.62099123001099, , 0.0, 0.0666666701436043, -0.0425793528556824, 0.0, , , 5.95201110839844, , 3.46459126472473, 0.0189405139535666, 0.235702261328697, 4.1870813369751, 0.0, 1.10981106758118, 0.0, 6.0, 2.95102596282959, 0.0, 0.0, 0.875, 2.1556191444397, , , 0.0, 2.0, 1.43797993659973, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1384.0400390625, 0.0277777779847383, 0.0, 0.0277777779847383, 430.0, , 0.0, , , 52.5999984741211, 0.0, 2.0, 0.466666668653488, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 1010.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.0962250456213951, , 0.0, 0.0, 10.1442365646362, 8.0, 0.0, , 11.8791465759277, , 0.0, , 0.0, , 0.0, 2.0, 23.0978755950928, , 21.9925518035889, 88.0, 971.58056640625, 0.0, 0.0, 0.0, 0.0, 12.1850347518921, , 27.5414905548096, 0.142857149243355, 1044.66137695312, , 0.0, 7.12942743301392, 28.9851036071777, , 0.25, 1.06904494762421, 1260.17785644531, , 0.0, 4.55629539489746, , 25.9851036071777, 0.0, , 1249.57495117188, 2.81839942932129, , 0.0277777779847383, 1061.470703125, 1.52746820449829, , 2.0, , 0.0, 0.0, 0.930149257183075, 0.0, 0.0, , , 0.532745957374573, 0.0, , 0.290439277887344, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H7F%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C1H3, 1.0, 1.0, , , , , 0.0, 2.0, 1.13807117938995 1.13807117938995, 0.33876970410347 0.33876970410347, , 1.04044008255005 1.04044008255005, 0.261886119842529 0.261886119842529, , 1.13807117938995 1.13807117938995, , 0.0, 0.0, 0.225846454501152 0.225846454501152, 0.0, 0.0, 8.0, 5.98312759399414, 0.0, , 0.0849070176482201, 6.125, 3.80453038215637, 0.0, , -0.0269592236727476, , 0.0, 2.51999998092651, , 4.0, -0.0137276099994779, 0.471404522657394, , , 1.48760330677032, 3.23902487754822, , 0.0, 0.0, -0.00172821281012148, 0.0, , , 2.54033637046814, , 1.3731781244278, -3.84614759241231e-05, 0.16666667163372, 1.50166130065918, 0.0, 1.41421353816986, 0.0, 0.0, 1.02437734603882, 0.0, 0.0, 0.333333343267441, 0.333333343267441, , , 0.0, , 0.0833333358168602, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 169.009994506836, 0.0277777779847383, 0.0, 0.0382767915725708, 54.0, , 0.0, , , 0.0, 0.0, 1.0, 0.25, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 60.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, , , , 3.96540641784668, 5.0, , , 4.29827976226807, , , , 0.0, , 0.0, , 9.50204372406006, , 8.58178520202637, 36.0, 324.683258056641, 0.0, 0.0, , 0.0, 4.68736553192139, , 11.1635704040527, 0.0, 344.905120849609, , 0.0, 2.51633238792419, 9.7453556060791, , 0.198892042040825, 0.0, 409.696411132812, , 0.0, 1.74918389320374, , 2.58178520202637, 0.0, , 290.377105712891, 1.07660508155823, , 0.0314970389008522, 63.8341026306152, 0.550986289978027, , 1.0, , 0.0, 0.0, 0.309517592191696, , 0.0, , , 0.0765535831451416, 0.0, , 0.0104990135878325, 0.0, , 0.0, 
-InChI%3D1S%2FC5H13N%2Fc1-2-3-4-5-6%2Fh2-6H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 4.8284273147583, 0.0, 0.0, 0.0296331718564034, 6.0, 2.91421365737915, 0.0, 0.0, -0.0120891109108925, 0.0, 0.0, 5.0, 0.0, 3.58496260643005, -0.00252518872730434, 0.0, 0.0, 0.0, 5.33333349227905, 1.70710682868958, 0.0, 0.0, 0.0, -0.000196016000700183, 0.0, 0.0, 0.0, 0.95710676908493, 0.0, 1.80720400810242, -6.19180627836613e-06, 0.0, 0.5, 0.0, 0.0, 0.0, 4.0, 0.25, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 294.010009765625, 0.0, 0.0, 0.0, 38.0, 0.0, 0.0, 0.0, 0.0, 26.0200004577637, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 35.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.96540641784668, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 6.35998821258545, 0.0, 5.16618537902832, 18.0, 210.80305480957, 0.0, 0.0, 0.0, 0.0, 4.40577745437622, 0.0, 4.16618537902832, 0.0, 185.226409912109, 0.0, 1.0, 2.61535501480103, 3.16618514060974, 0.0, 0.0, 0.0, 146.032409667969, 0.0, 0.0, 1.49578189849854, 0.0, 2.16618514060974, 0.0, , 102.211029052734, 0.807677507400513, 0.0, 0.0, 59.6695976257324, 0.394337564706802, 0.0, 1.0, 0.0, 0.0, 0.0, 0.144337564706802, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H, 0.0, 0.0, , , , , 0.0, 1.0, 0.40824830532074 0.40824830532074, 0.218217894434929 0.218217894434929, , 0.433012694120407 0.433012694120407, 0.188982233405113 0.188982233405113, , 0.40824830532074 0.40824830532074, , 0.0, 0.0, 0.145478591322899 0.145478591322899, 0.0, 0.0, 5.0, 5.11288404464722, 0.0, , 0.0398882701992989, 5.14285707473755, 3.3938467502594, 0.0, , -0.0127770155668259, , 0.0, 2.34375, , 3.80735492706299, -0.00663653016090393, 0.288675129413605, 0.0, , 1.5, 2.74318218231201, , 0.0, 0.0, -0.000509866105858237, 0.0, , , 1.89384686946869, , 0.0, -2.07226748898393e-05, 0.0, 1.30671286582947, 0.0, 0.0, 0.0, 0.0, 0.901047587394714, 0.0, 0.0, 0.333333343267441, 0.20412415266037, , , 0.0, , 0.0, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 102.01000213623, 0.0320750139653683, 0.0, 0.0363696478307247, 45.0, , 0.0, , , 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 42.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.102062076330185, , , , 6.08364343643188, 6.0, , , 3.04182171821594, , , , 0.0, , 0.0, , 14.7127532958984, , 8.95173740386963, 30.0, 338.915740966797, 0.0, 0.0, , 0.0, 4.5206446647644, , 11.9034748077393, 0.0, 351.276214599609, , 0.0, 2.4776303768158, 8.90347480773926, , 0.188982233405113, 0.0, 386.591156005859, , 0.0, 1.73200392723083, , 2.95173740386963, 0.0, , 229.686569213867, 0.985086858272552, , 0.0, 38.188850402832, 0.560145676136017, , 0.0, , 0.0, 0.0, 0.31843826174736, , 0.0, , , 0.0727392956614494, 0.0, , 0.0, 0.0, , 0.0, 
-InChI%3D1S%2FC8H6ClNO3%2Fc1-5%2811%296-2-3-7%289%298%284-6%2910%2812%2913%2Fh2-4H%2C1H3, 1.0, 2.94168281555176, , , , , 0.0, 3.0, 2.49942326545715 2.49942326545715, 0.822749376296997 0.822749376296997, , 3.04623436927795 3.04623436927795, 0.799265623092651 0.799265623092651, , 3.673011302948 3.673011302948, , 0.0, 0.0, 0.811596691608429 0.811596691608429, 0.0, 0.0, 18.0, 10.0080718994141, 0.0, , 0.23933456838131, 11.0769233703613, 6.01974439620972, 0.0, , -0.00883259996771812, , 1.0, 4.48148155212402, , 4.70043992996216, -0.0635069012641907, 1.20511829853058, 0.0, , 2.72108840942383, 5.70230436325073, , 0.0, 0.0, -0.0250727329403162, 0.0, , , 4.09772968292236, , 0.908560276031494, -0.0122509505599737, 0.398974478244781, 2.92551803588867, 0.0, 1.59054148197174, 0.0, 0.0, 2.08057975769043, 0.0, 0.0, 1.0, 1.45856332778931, , , 0.0, , 0.481853455305099, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 205.050003051758, 0.0240562614053488, 0.0, 0.0500636547803879, 123.0, , 0.0, , , 62.8899993896484, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 240.0, 0.0, 0.0, 0.0680413842201233, 1.0, 0.146608799695969, , 0.0, 0.0, 1.65096366405487, 5.0, , , 7.06555128097534, , , , 0.0, , 0.0, , 23.3961486816406, , 16.5569458007812, 62.0, 647.56201171875, 0.0, 0.0, , 0.0, 7.53790283203125, , 24.3386821746826, 0.721124768257141, 730.425964355469, , 0.0, 3.84785985946655, 26.6706695556641, , 0.450876355171204, 0.0, 962.968566894531, , 0.0, 2.8866868019104, , 24.1406307220459, 0.0, , 885.261291503906, 1.86897015571594, , 0.0870366916060448, 567.970031738281, 1.05812656879425, , 1.0, , 0.0, 0.0, 0.658270359039307, , 0.0, , , 0.362167745828629, 0.0, , 0.0843719840049744, 0.0, 0.0, 0.0, 
-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, 0.0, 0.75, 0.0, 0.0, 1.0, 0.0, 0.0, 3.0, 2.34442329406738 2.34442329406738, 0.578200161457062 0.578200161457062, 0.0, 4.48149061203003 4.48149061203003, 0.863860070705414 0.863860070705414, , 5.86603355407715 5.86603355407715, 0.0, 0.0, 0.0, 0.894126117229462 0.894126117229462, 0.0, 1.5, 30.0, 15.9599733352661, 0.0, 0.0, 0.5332270860672, 17.8111991882324, 11.2348947525024, 0.0, 0.0, -0.553084015846252, 0.0, 0.0, 8.90909099578857, 0.0, 5.52356195449829, 0.531559467315674, 1.5391491651535, 0.0, 0.0, 5.78566741943359, 9.93514060974121, 0.0, 0.0, 0.0, -0.211869806051254, 0.176776692271233, , 0.0, 7.51865768432617, 0.0, 0.0, -0.0852049216628075, 0.0, 6.51456165313721, 0.0, 0.0, 0.0, 0.0, 5.06800699234009, 0.0, 0.0, 1.0, 2.78458404541016, 0.0, 0.0, 0.0, 1.0, 2.01636552810669, 15.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1094.05004882812, 0.0962250456213951, 0.0, 0.039283711463213, 389.0, 0.0, 0.0, , , 54.5699996948242, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1204.0, 0.0, 0.0, 0.306186228990555, 0.0, 0.216506347060204, , 0.0, 0.0, 21.5464973449707, 18.0, 0.0, 0.0, 11.8764972686768, 0.0, 0.0, , 0.0, , 0.0, 3.0, 31.7482891082764, 0.0, 35.7372817993164, 116.0, 1091.63464355469, 0.0, 0.0, 0.0, 0.0, 12.4644031524658, 0.0, 44.3758850097656, 0.0, 1224.14074707031, , 0.0, 7.44041633605957, 44.454418182373, 0.0, 0.386789679527283, 1.5, 1567.36572265625, 0.0, 0.0, 5.02131128311157, 0.0, 46.4469680786133, 0.0186432246118784, , 1456.13562011719, 3.20756149291992, , 0.0, 1382.84252929688, 2.20061659812927, 0.0, 0.0, 0.0, 0.0, 0.0, 1.40095007419586, 0.0, 0.0, 0.0, 0.0, 0.587364912033081, 0.0, , 0.358336418867111, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H4ClNS2%2Fc8-4-1-2-6-5%283-4%299-7%2810%2911-6%2Fh1-3H%2C%28H%2C9%2C10%29, 0.0, 2.80396580696106, , , , , 0.0, 2.0, 1.58205497264862 1.58205497264862, 1.12346744537354 1.12346744537354, , 2.52096581459045 2.52096581459045, 1.56374299526215 1.56374299526215, , 3.1835150718689 3.1835150718689, , 0.0, 0.0, 1.83186769485474 1.83186769485474, 0.0, 0.0, 13.0, 7.84493494033813, 0.0, , 0.139683380723, 7.63888883590698, 5.25402021408081, 0.0, , -0.0891272276639938, , 0.0, 2.80276823043823, , 4.45943164825439, 0.0399000458419323, 0.910683631896973, 0.0, , 1.451247215271, 5.01495981216431, , 0.0, 0.0, -0.0367056354880333, 0.0, , , 3.81227850914001, , 0.0, 0.0255972314625978, 0.0833333358168602, 3.29027557373047, 0.0, 0.0, 0.0, 0.0, 2.49594521522522, 0.0, 0.0, 1.0, 1.43803977966309, , , 0.0, , 0.850435793399811, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0684653222560883, , 0.0, 146.039993286133, 0.194969072937965, 0.0, 0.238972097635269, 107.0, , 0.0, , , 79.9300003051758, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 143.0, 0.0962250456213951, 0.0, 0.300349175930023, 0.0, 0.435857951641083, , 1.0, 0.0, 1.65096366405487, 6.0, , , 6.4474196434021, , 0.0, , 0.0, , 0.0, , 31.3282470703125, , 19.2934627532959, 58.0, 993.542785644531, 2.0, 0.0, , 0.0, 7.87954330444336, , 34.9300956726074, 0.0, 1148.04968261719, , 0.0, 4.64775943756104, 23.9149856567383, , 0.79773211479187, 0.0, 1564.431640625, , 0.0, 4.30174350738525, , 17.5695514678955, 0.0, , 1139.89147949219, 2.78627824783325, , 0.0456435456871986, 657.891418457031, 2.14344882965088, , 0.0, , 0.0, 0.0, 1.54309177398682, , 0.0, , , 0.764469683170319, 0.0, , 0.476801961660385, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC3H5N%2Fc1-2-3-4%2Fh2H2%2C1H3, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 1.0, 3.41421365737915, 0.0, 0.0, 0.0985156670212746, 4.0, 1.91421353816986, 0.0, 0.0, -0.0160895828157663, 0.0, 0.0, 3.0, 0.0, 3.0, -0.0282708369195461, 0.0, 0.0, 0.0, 4.0, 1.0, 0.0, 0.0, 0.0, -0.00489741191267967, 0.0, 0.0, 0.0, 0.5, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 52.0099983215332, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.0, 0.0, 23.7900009155273, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 4.35998821258545, 0.0, 3.16618514060974, 10.0, 77.4922561645508, 0.0, 0.0, 0.0, 0.0, 2.65432047843933, 0.0, 2.16618514060974, 0.0, 60.7300796508789, 0.0, 0.0, 1.28426694869995, 1.16618525981903, 0.0, 0.0, 0.0, 36.895450592041, 0.0, 0.0, 0.511667251586914, 0.0, 0.0, 0.0, , 14.7974395751953, 0.15811388194561, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC9H18O%2Fc1-3-5-7-9%2810%298-6-4-2%2Fh3-8H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.144337564706802 0.144337564706802, 0.0, 0.433012694120407 0.433012694120407, 0.153093114495277 0.153093114495277, 0.0, 0.492799282073975 0.492799282073975, 0.0, 0.0, 0.0, 0.174230858683586 0.174230858683586, 0.0, 0.0, 8.0, 7.81999111175537, 0.0, 0.0, 0.119859524071217, 10.0, 4.80806064605713, 0.0, 0.0, -0.0240960605442524, 0.0, 1.0, 7.11111116409302, 0.0, 4.32192802429199, -0.0320906601846218, 0.288675129413605, 0.0, 0.0, 7.0, 3.38962864875793, 0.0, 0.0, 0.125, -0.00358918169513345, 0.0, 0.0, 0.0, 2.10095357894897, 0.0, 3.65134453773499, -0.000155325047671795, 0.0, 1.24950933456421, 0.0, 0.5, 0.0, 6.0, 0.901047587394714, 0.0, 0.0, 1.0, 0.27629292011261, 0.0, 0.0, 0.0, 1.0, 0.144337564706802, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 639.010009765625, 0.0, 0.0, 0.0, 105.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 149.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 6.12046384811401, 6.0, 0.0, 0.0, 3.30192732810974, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 10.7744693756104, 0.0, 9.33209228515625, 36.0, 418.973693847656, 0.0, 0.0, 0.0, 0.0, 7.15088891983032, 0.0, 9.66418361663818, 0.0, 403.010223388672, 0.0, 0.0, 4.32544469833374, 8.66418361663818, 0.0, 0.102062076330185, 0.0, 393.732330322266, 0.0, 0.0, 2.74578189849854, 0.0, 7.66418409347534, 0.0, , 339.317077636719, 1.61833775043488, 0.0, 0.0, 278.776824951172, 0.872890949249268, 0.0, 2.0, 0.0, 0.0, 0.0, 0.571114242076874, 0.0, 0.0, 0.0, 0.0, 0.239276692271233, 0.0, 0.0, 0.125, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H5N3O4%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2812%2913%2Fh1-3H%2C7H2, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 2.49942326545715 2.49942326545715, 0.517350554466248 0.517350554466248, , 3.04623436927795 3.04623436927795, 0.506253242492676 0.506253242492676, , 3.673011302948 3.673011302948, , 0.0, 0.0, 0.488160014152527 0.488160014152527, 0.0, 0.0, 18.0, 10.0080718994141, 0.516397774219513, , 0.17160277068615, 11.0769233703613, 6.01974439620972, 0.0, , 0.0317584425210953, , 0.0, 4.48148155212402, , 4.70043992996216, -0.0243050958961248, 1.20511829853058, 0.0, , 2.72108840942383, 5.70230436325073, , 0.0, 0.0, -0.0480262935161591, 0.0, , , 4.09772968292236, , 0.0, -0.0876597017049789, 0.398974478244781, 2.92551803588867, 0.0, 0.0, 0.0, 0.0, 2.08057975769043, 0.0, 0.0, 1.0, 1.45856332778931, , , 0.0, , 0.481853455305099, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 168.070007324219, 0.0240562614053488, 0.0, 0.0354054644703865, 123.0, , 0.0, , , 117.660003662109, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 240.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.146608799695969, , 0.0, 0.0, 1.65096366405487, 6.0, , , 5.85380077362061, , 0.0, , 0.0, , 0.0, , 17.1778411865234, , 15.7124195098877, 62.0, 508.920440673828, 0.0, 0.0, , 0.0, 6.33682155609131, , 21.874418258667, 1.44224953651428, 577.986755371094, , 1.0, 3.20421934127808, 22.0138359069824, , 0.296954244375229, 0.0, 763.188293457031, , 0.0, 2.25733828544617, , 18.6222114562988, 0.0, , 696.2734375, 1.42153489589691, , 0.0446974597871304, 432.350494384766, 0.803739130496979, , 0.0, , 0.0, 0.25, 0.478520214557648, , 0.0, , , 0.194383755326271, 0.0, , 0.0549559965729713, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC4H10O%2Fc1-4%282%293-5%2Fh4-5H%2C3H2%2C1-2H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.182574182748795 0.182574182748795, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.28445720672607, 0.0, 0.0, 0.0831938609480858, 5.0, 2.27005553245544, 0.0, 0.0, -0.0340047217905521, 0.0, 0.0, 2.25, 0.0, 3.32192802429199, -0.00635155150666833, 0.40824830532074, 0.0, 0.0, 4.0, 1.80209517478943, 0.0, 0.0, 0.5, -0.00124065729323775, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 176.009994506836, 0.0, 0.0, 0.0, 19.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 1.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.77446889877319, 0.0, 4.33209180831909, 16.0, 145.791488647461, 0.0, 1.0, 0.0, 0.0, 3.73167061805725, 0.0, 4.33209180831909, 0.0, 128.6171875, 0.0, 0.0, 1.8791766166687, 2.66418385505676, 0.0, 0.40824830532074, 0.0, 112.387542724609, 0.0, 0.0, 1.57642102241516, 0.0, 0.0, 0.0, , 41.4640045166016, 0.365148365497589, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-3-2-4-8%2811%295-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, 1.0, 1.19055080413818, , , , , 0.0, 2.0, 0.986532926559448 0.986532926559448, 0.247869700193405 0.247869700193405, , 1.6048811674118 1.6048811674118, 0.320910006761551 0.320910006761551, , 1.69683313369751 1.69683313369751, , 0.0, 0.0, 0.273969262838364 0.273969262838364, 0.0, 0.0, 11.0, 8.26758480072021, 0.0, , 0.225685819983482, 9.09090900421143, 5.18154048919678, 0.0, , -0.101922564208508, , 1.0, 4.13265323638916, , 4.45943164825439, 0.0091809555888176, 0.901047587394714, , , 3.26530623435974, 4.76735210418701, , 0.0, 0.0, -0.0520161613821983, 0.0, , , 2.8497359752655, , 0.854574024677277, 0.064258836209774, 0.0, 2.44046878814697, 0.0, 1.21644043922424, 0.0, 0.0, 1.57812106609344, 0.0, 0.0, 1.0, 0.959275722503662, , , 0.0, , 0.308604001998901, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 290.029998779297, 0.0277777779847383, 0.0, 0.0248451996594667, 103.0, , 0.0, , , 52.8199996948242, 0.0, 0.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 162.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , , , 3.53277564048767, 6.0, , , 5.77497339248657, , , , 0.0, , 0.0, , 12.9089260101318, , 11.9965543746948, 50.0, 494.740112304688, 0.0, 0.0, , 0.0, 6.15104198455811, , 16.0482978820801, 0.16666667163372, 532.821838378906, , 0.0, 3.21579432487488, 12.3286466598511, , 0.249071195721626, 0.0, 650.298767089844, , 0.0, 2.17886900901794, , 10.7159271240234, 0.0, , 518.221374511719, 1.12064027786255, , 0.0, 362.819366455078, 0.749407768249512, , 1.0, , 0.0, 0.0, 0.407960265874863, , 0.0, , , 0.159824520349503, 0.0, , 0.0483729317784309, 1.0, , 0.0, 
-InChI%3D1S%2FC6H8O%2Fc1-5-3-4-6%282%297-5%2Fh3-4H%2C1-2H3, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.741581618785858 0.741581618785858, 0.253933906555176 0.253933906555176, 0.0, 1.04044008255005 1.04044008255005, 0.321975260972977 0.321975260972977, 0.0, 0.589255630970001 0.589255630970001, 0.0, 0.0, 0.0, 0.170103460550308 0.170103460550308, 0.0, 0.0, 4.0, 5.27602100372314, 0.0, 0.0, 0.159664884209633, 5.14285707473755, 3.28769373893738, 0.0, 0.0, -0.0666401013731956, 0.0, 0.0, 1.85185182094574, 0.0, 3.80735492706299, -0.0237717218697071, 0.577350258827209, 0.0, 0.0, 1.1851851940155, 3.02339601516724, 0.0, 0.0, 0.25, 0.00953202974051237, 0.0, 0.0, 0.0, 1.95700311660767, 0.0, 1.63299322128296, 0.00104735454078764, 0.0, 1.49162459373474, 0.0, 2.30940103530884, 0.0, 0.0, 0.638071179389954, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0340206921100616, 0.0, 0.0, 183.009994506836, 0.0680413842201233, 0.0, 0.0340206921100616, 42.0, 0.0, 0.0, 0.0, 0.0, 13.1400003433228, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 41.0, 0.117851130664349, 0.0, 0.235702261328697, 0.0, 0.117851130664349, 0.0, 0.0, 0.0, 1.0, 4.0, 1.0, 0.0, 2.82842707633972, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.77446889877319, 0.0, 7.66418409347534, 32.0, 268.96923828125, 0.0, 0.0, 0.0, 0.0, 4.56294870376587, 0.0, 10.3283681869507, 0.0, 282.950836181641, 0.0, 0.0, 2.31893181800842, 4.0, 0.0, 0.235702261328697, 0.0, 346.942077636719, 0.0, 0.0, 1.65669620037079, 0.0, 1.0, 0.0, , 141.178237915039, 0.874724686145782, 0.0, 0.0, 28.812068939209, 0.556683301925659, 0.0, 2.0, 0.0, 0.0, 0.0, 0.219416096806526, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H14O4%2Fc1-7%2812%298-5-6-9%2813-2%2911%2815-4%2910%288%2914-3%2Fh5-6H%2C1-4H3, 1.0, 5.67623996734619, , , , , 0.0, 4.0, 2.45892238616943 2.45892238616943, 0.765301525592804 0.765301525592804, , 4.10743618011475 4.10743618011475, 1.01720929145813 1.01720929145813, , 5.44137620925903 5.44137620925903, , 0.0, 0.0, 1.07810437679291 1.07810437679291, 0.0, 0.908560276031494, 24.0, 11.4222850799561, 0.0, , 0.658415555953979, 13.0666666030884, 7.15059566497803, 0.0, , -0.297186434268951, , 1.0, 5.91499996185303, , 4.90689039230347, -0.151007413864136, 0.90824830532074, 0.0, , 2.76543211936951, 5.7977557182312, , 0.0, 1.06765961647034, 0.181822091341019, 0.0, , , 4.89966726303101, , 2.03253102302551, -0.0619461983442307, 0.315235257148743, 4.07794952392578, 0.0, 6.35944986343384, 0.0, 0.0, 2.92238688468933, 0.0, 0.0, 0.75, 1.57841074466705, , , 0.0, , 0.883119106292725, 2.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 631.039978027344, 0.020833333954215, 0.0, 0.035932183265686, 157.0, , 0.0, , , 44.7599983215332, 0.0, 1.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 344.0, 0.0, 0.0, 0.0555555559694767, 1.0, 0.149926140904427, , , 0.0, 1.0, 5.0, , , 5.08567523956299, , , , 0.0, , 0.0, , 18.0978755950928, , 17.3246440887451, 70.0, 763.774658203125, 0.0, 0.0, , 0.0, 9.28769397735596, , 22.6567363739014, 0.0, 866.915588378906, , 0.0, 4.45192527770996, 28.5377655029297, , 0.335218489170074, 0.608220219612122, 1175.48010253906, , 0.0, 2.93806624412537, , 28.2019500732422, 0.0, , 1262.45434570312, 2.08347654342651, , 0.0666389688849449, 994.157470703125, 1.37852132320404, , 4.0, , 0.0, 0.0, 0.840926766395569, , 0.0, , , 0.370297998189926, 0.0, , 0.16785891354084, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H10O3%2Fc1-3-6%288%299-4-5%282%297%2Fh3%2C5%2C7H%2C1%2C4H2%2C2H3, 2.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.781474411487579 0.781474411487579, 0.142576977610588 0.142576977610588, 0.0, 0.488641947507858 0.488641947507858, 0.0809659138321877 0.0809659138321877, 0.0, 0.638071179389954 0.638071179389954, 0.0, 0.0, 0.0, 0.0790459364652634 0.0790459364652634, 0.0, 0.0, 7.0, 7.27602100372314, 0.0, 0.0, 0.364665746688843, 9.0, 4.16390228271484, 0.0, 0.0, -0.197417542338371, 0.0, 1.0, 4.83950614929199, 0.0, 4.16992521286011, -0.0012507796054706, 0.696923434734344, 0.0, 0.0, 5.87755107879639, 3.48461723327637, 0.0, 0.0, 0.16666667163372, 0.0691153258085251, 0.0, 0.0, 0.0, 1.93373966217041, 0.0, 1.59054148197174, -0.0875999107956886, 0.0, 0.821975290775299, 0.0, 1.59054148197174, 0.0, 1.0, 0.686886727809906, 0.0, 0.0, 1.0, 0.235702261328697, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 252.029998779297, 0.0, 0.0, 0.0, 74.0, 0.0, 0.0, 0.0, 0.0, 46.5299987792969, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 104.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 1.0, 0.0, 0.0, 2.37841415405273, 0.0, 0.0, 0.0, 1.0, , 0.0, 1.0, 11.3234071731567, 0.0, 9.32836818695068, 34.0, 286.128723144531, 0.0, 1.0, 0.0, 0.0, 5.3326244354248, 0.0, 11.434928894043, 0.200000002980232, 276.873443603516, 0.0, 0.0, 2.63764429092407, 9.10283660888672, 0.0, 0.230686709284782, 0.816496610641479, 284.188507080078, 0.0, 0.0, 1.683185338974, 0.0, 5.66418409347534, 0.0, , 216.871154785156, 0.633461177349091, 0.0, 0.0, 158.081512451172, 0.261659920215607, 0.0, 1.0, 0.0, 0.0, 0.0, 0.152884989976883, 1.0, 0.0, 0.0, 0.0, 0.0492352060973644, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H16ClNO2%2Fc10-6-7-13-9%2812%2911-8-4-2-1-3-5-8%2Fh8H%2C1-7H2%2C%28H%2C11%2C12%29, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.777317047119141 0.777317047119141, 0.299561649560928 0.299561649560928, 0.0, 1.17192828655243 1.17192828655243, 0.410568505525589 0.410568505525589, 0.0, 1.39430713653564 1.39430713653564, 0.0, 0.0, 0.0, 0.437706619501114 0.437706619501114, 0.0, 0.0, 13.0, 9.51866149902344, 0.0, 0.0, 0.351793944835663, 11.0769233703613, 6.3256983757019, 0.0, 0.0, -0.274591863155365, 0.0, 1.0, 6.45333337783813, 0.0, 4.70043992996216, 0.142489314079285, 0.492799282073975, 0.0, 0.0, 4.6875, 4.98713827133179, 0.0, 0.0, 0.0, 0.000657619850244373, 0.0, 0.0, 0.0, 3.51092386245728, 0.0, 0.0, -0.111529730260372, 0.0, 2.66231441497803, 0.0, 0.0, 0.0, 7.0, 1.98399388790131, 0.0, 0.0, 0.800000011920929, 0.865742087364197, 0.0, 0.0, 0.0, 0.0, 0.569035589694977, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 685.039978027344, 0.102062076330185, 0.0, 0.0456435456871986, 178.0, 0.0, 0.0, 0.0, 0.0, 41.8199996948242, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 286.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, 0.0, 0.0, 0.0, 6.93297576904297, 6.0, 0.0, 0.0, 5.20517730712891, 1.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 22.6216793060303, 0.0, 16.2803840637207, 56.0, 627.424743652344, 0.0, 1.0, 0.0, 0.0, 8.46366691589355, 0.0, 19.4976005554199, 0.0, 658.900390625, 0.0, 0.0, 5.31649208068848, 17.4268169403076, 0.0, 0.169924274086952, 0.5, 753.372436523438, 0.0, 0.0, 3.61891603469849, 0.0, 14.9445676803589, 0.0, , 644.299926757812, 2.33032584190369, 0.0, 0.0, 504.453338623047, 1.61060583591461, 0.0, 0.0, 0.0, 0.0, 0.0, 1.12576544284821, 1.0, 0.0, 0.0, 0.0, 0.338345766067505, 0.0, 0.0, 0.195825710892677, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H16O%2Fc1-3-4-5-6-7-8%282%299%2Fh3-7H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.102062076330185 0.102062076330185, 0.0, 0.20412415266037 0.20412415266037, 0.0721687823534012 0.0721687823534012, 0.0, 0.144337564706802 0.144337564706802, 0.0, 0.0, 0.0, 0.0510310381650925 0.0510310381650925, 0.0, 0.0, 6.0, 7.11288404464722, 0.0, 0.0, 0.121041655540466, 9.0, 4.27005577087402, 0.0, 0.0, -0.0234891343861818, 0.0, 1.0, 6.125, 0.0, 4.16992521286011, -0.0351925380527973, 0.40824830532074, 0.0, 0.0, 8.0, 3.24318218231201, 0.0, 0.0, 0.142857149243355, -0.00172985868994147, 0.0, 0.0, 0.0, 1.63502776622772, 0.0, 3.20884418487549, -0.000106062878330704, 0.0, 0.979362547397614, 0.0, 0.816496610641479, 0.0, 5.0, 0.567513883113861, 0.0, 0.0, 0.75, 0.306186228990555, 0.0, 0.0, 0.0, 1.0, 0.20412415266037, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 504.010009765625, 0.0, 0.0, 0.0, 87.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 114.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 5.67623996734619, 5.0, 0.0, 0.0, 1.91925978660583, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 9.77446937561035, 0.0, 8.33209228515625, 32.0, 354.655151367188, 0.0, 0.0, 0.0, 0.0, 6.44378232955933, 0.0, 8.66418361663818, 0.0, 335.078582763672, 0.0, 0.0, 3.76478433609009, 6.33209180831909, 0.0, 0.144337564706802, 0.0, 317.03271484375, 0.0, 0.0, 2.51267528533936, 0.0, 5.33209180831909, 0.0, , 245.973724365234, 1.38239216804504, 0.0, 0.0, 193.842208862305, 0.800722181797028, 0.0, 2.0, 0.0, 0.0, 0.0, 0.441196084022522, 0.0, 0.0, 0.0, 0.0, 0.212861090898514, 0.0, 0.0, 0.124472737312317, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H17Br%2Fc1-2-3-4-5-6-7-8-9%2Fh2-8H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 6.0, 6.94974756240845, 0.0, 0.0, 0.0292395427823067, 9.0, 4.41421365737915, 0.0, 0.0, -0.011964843608439, 0.0, 0.0, 8.0, 0.0, 4.16992521286011, -0.0024591232649982, 0.0, 0.0, 0.0, 8.0, 2.76776695251465, 0.0, 0.0, 0.0, -0.000189749858691357, 0.0, 0.0, 0.0, 1.70710682868958, 0.0, 2.07099652290344, -5.97926509726676e-06, 0.0, 1.03033006191254, 0.0, 0.0, 0.0, 7.0, 0.603553414344788, 0.0, 0.0, 1.0, 0.338388353586197, 0.0, 0.0, 0.0, 0.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 553.010009765625, 0.0, 0.0, 0.0, 96.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 120.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.33325862884521, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 52.2580909729004, 0.0, 13.6526756286621, 30.0, 458.41357421875, 0.0, 0.0, 0.0, 0.0, 7.91370868682861, 0.0, 12.6526756286621, 0.0, 421.990631103516, 0.0, 0.0, 5.09583711624146, 11.6526756286621, 0.0, 0.0, 0.0, 366.785461425781, 0.0, 0.0, 3.24974751472473, 0.0, 10.6526756286621, 0.0, , 310.006652832031, 2.04791855812073, 0.0, 0.0, 252.537536621094, 1.27132034301758, 0.0, 1.0, 0.0, 0.0, 0.0, 0.773959219455719, 0.0, 0.0, 0.0, 0.0, 0.458883464336395, 0.0, 0.0, 0.261979609727859, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H10O2%2Fc14-10-11-6-8-13%289-7-11%2915-12-4-2-1-3-5-12%2Fh1-10H, 0.0, 0.965489387512207, , , , , 0.0, 3.0, 1.30585181713104 1.30585181713104, 0.375571042299271 0.375571042299271, , 1.79898548126221 1.79898548126221, 0.420131891965866 0.420131891965866, , 2.14255714416504 2.14255714416504, , 0.0, 0.0, 0.419675916433334 0.419675916433334, 0.0, 0.0, 18.0, 10.5102252960205, 0.0, , 0.290042400360107, 11.484375, 7.38134145736694, 0.0, , -0.112794011831284, , 0.0, 5.91499996185303, , 4.90689039230347, -0.0356454215943813, 0.61237245798111, 0.0, , 3.5, 6.0347375869751, , 0.0, 0.0, 0.0190861020237207, 0.0, , , 4.93508815765381, , 0.0, -0.0107425330206752, 0.0, 3.76968121528625, 0.0, 0.0, 0.0, 0.0, 3.02161502838135, 0.0, 0.0, 1.0, 1.68752896785736, , , 0.0, , 1.10703253746033, 9.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 466.019989013672, 0.0598527938127518, 0.0, 0.0404723063111305, 240.0, , 0.0, , , 26.2999992370605, 1.0, 1.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 408.0, 0.0, 0.0, 0.185395404696465, 0.0, 0.19001992046833, , , 0.0, 13.1246004104614, 11.0, , , 11.2071380615234, , , , 0.0, , 0.0, , 16.5489387512207, , 16.9962768554688, 72.0, 782.235107421875, 0.0, 0.0, , 0.0, 8.08999919891357, , 21.6604595184326, 0.0, 869.837524414062, , 0.0, 4.66467666625977, 19.9925518035889, , 0.232307806611061, 0.16666667163372, 1089.708984375, , 0.0, 3.10200142860413, , 14.3283681869507, 0.0, , 954.265075683594, 1.99508988857269, , 0.0, 682.738464355469, 1.23905575275421, , 0.0, , 0.0, 0.0, 0.808323621749878, , 0.0, , , 0.311632305383682, 0.0, , 0.165967792272568, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC4H11NO2%2Fc6-3-1-5-2-4-7%2Fh5-7H%2C1-4H2, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 5.5355339050293, 0.0, 0.0, 0.253490835428238, 7.0, 3.41421365737915, 0.0, 0.0, -0.0911394879221916, 0.0, 0.0, 6.0, 0.0, 3.80735492706299, -0.12470056116581, 0.0, 0.0, 0.0, 6.0, 2.06066012382507, 0.0, 0.0, 0.0, 0.14345571398735, 0.0, 0.0, 0.0, 1.20710682868958, 0.0, 0.0, -0.0142438560724258, 0.0, 0.676776707172394, 0.0, 0.0, 0.0, 4.0, 0.353553384542465, 0.0, 0.0, 1.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 247.029998779297, 0.0, 0.0, 0.0, 54.0, 0.0, 0.0, 0.0, 0.0, 52.4900016784668, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 56.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.94168281555176, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 8.90892601013184, 0.0, 6.99655437469482, 22.0, 203.797317504883, 0.0, 0.0, 0.0, 0.0, 4.22285413742065, 0.0, 5.99655437469482, 0.16666667163372, 185.953262329102, 0.0, 0.0, 2.33956241607666, 5.10693216323853, 0.0, 0.0, 0.0, 153.658920288086, 0.0, 0.0, 1.19721364974976, 0.0, 3.66418385505676, 0.0, , 115.01927947998, 0.577160179615021, 0.0, 0.0, 76.7536010742188, 0.283113896846771, 0.0, 0.0, 0.0, 0.0, 0.0, 0.111803397536278, 2.0, 0.0, 0.0, 0.0, 0.025000000372529, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H, 0.0, 2.38110160827637, , , , , 0.0, 3.0, 1.44017744064331 1.44017744064331, 0.491756230592728 0.491756230592728, , 2.34362530708313 2.34362530708313, 0.650328814983368 0.650328814983368, , 3.05891346931458 3.05891346931458, , 0.0, 0.0, 0.685604989528656 0.685604989528656, 0.0, 0.0, 17.0, 9.09601211547852, 0.0, , 0.0752628296613693, 9.55102062225342, 6.37700986862183, 0.0, , -0.0240395702421665, , 0.0, 4.48148155212402, , 4.70043992996216, -0.0120746847242117, 0.538451671600342, , , 2.26843094825745, 5.32368564605713, , 0.0, 0.0, -0.00144939380697906, 0.0, , , 4.43315410614014, , 0.0, -6.77500938763842e-05, 0.164266422390938, 3.60758376121521, 0.0, 0.0, 0.0, 0.0, 2.79330086708069, 0.0, 0.0, 0.75, 1.37313032150269, , , 0.0, , 0.885919213294983, 9.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 420.010009765625, 0.0598527938127518, 0.0, 0.0423489958047867, 151.0, , 0.0, , , 20.2299995422363, 0.0, 2.0, 0.428571432828903, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 240.0, 0.0, 0.0, 0.185395404696465, 0.0, 0.190371423959732, , , , 12.4071960449219, 10.0, , , 11.3998241424561, , , , 0.0, , 0.0, , 13.7744693756104, , 14.3320922851562, 64.0, 761.106994628906, 0.0, 0.0, , 0.0, 7.14336585998535, , 18.6641845703125, 0.0, 861.534057617188, , 0.0, 4.21164083480835, 17.9962768554688, , 0.220051839947701, 0.0, 1113.91076660156, , 0.0, 2.88317441940308, , 13.9962759017944, 0.0, , 1015.08331298828, 1.9888436794281, , 0.0426901616156101, 706.953125, 1.3354606628418, , 0.0, , 0.0, 0.0, 0.861140131950378, , 0.0, , , 0.345625728368759, 0.0, , 0.18893301486969, 0.0, , 0.0, 
-InChI%3D1S%2FC10H11NO4%2Fc1-14-9%2812%296-3-4-7%288%2811%295-6%2910%2813%2915-2%2Fh3-5H%2C11H2%2C1-2H3, 0.0, 4.50879764556885, , , , , 0.0, 3.0, 2.60575413703918 2.60575413703918, 0.649527430534363 0.649527430534363, , 3.60367035865784 3.60367035865784, 0.730073213577271 0.730073213577271, , 4.26016139984131 4.26016139984131, , 0.0, 0.0, 0.707446336746216 0.707446336746216, 0.0, 0.142857149243355, 22.0, 11.4222850799561, 0.0, , 0.582494854927063, 13.0666666030884, 7.09575414657593, 0.0, , -0.358845949172974, , 2.0, 5.91499996185303, , 4.90689039230347, 0.189940884709358, 1.00985622406006, 0.0, , 3.22560000419617, 5.98533487319946, , 0.0, 0.111111111938953, -0.146317437291145, 0.0, , , 5.09976768493652, , 1.34164083003998, 0.0311554539948702, 0.310301214456558, 3.45949649810791, 0.0, 2.45254445075989, 0.0, 0.0, 2.35127067565918, 0.0, 0.0, 0.800000011920929, 1.43741416931152, , , 0.0, , 1.00514221191406, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 466.049987792969, 0.0240562614053488, 0.0, 0.0379451513290405, 195.0, , 0.0, , , 78.620002746582, 0.0, 2.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 378.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.146608799695969, , 0.0, 0.0, 1.65096366405487, 4.0, , , 8.09800910949707, , , , 0.0, , 0.0, , 18.4578647613525, , 17.1587371826172, 70.0, 723.374877929688, 0.0, 0.0, , 0.0, 8.4423942565918, , 23.2096767425537, 0.142857149243355, 813.697204589844, , 1.0, 4.15970230102539, 25.8194751739502, , 0.322168797254562, 1.06904494762421, 1074.78247070312, , 0.0, 2.78519296646118, , 22.0960388183594, 0.0, , 1065.10693359375, 1.8779730796814, , 0.0499732792377472, 779.27294921875, 1.10339856147766, , 2.0, , 0.0, 0.0, 0.63902074098587, , 0.0, , , 0.30256861448288, 0.0, , 0.149044290184975, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC9H13N%2Fc1-2-10-8-9-6-4-3-5-7-9%2Fh3-7%2C10H%2C2%2C8H2%2C1H3, 3.0, 0.0, , , , , 0.0, 1.0, 0.433012694120407 0.433012694120407, 0.19500832259655 0.19500832259655, , 0.61237245798111 0.61237245798111, 0.227559179067612 0.227559179067612, , 0.679412364959717 0.679412364959717, , 0.0, 0.0, 0.219784736633301 0.219784736633301, 0.0, 0.0, 9.0, 7.23420429229736, 0.0, , 0.0639992132782936, 8.10000038146973, 4.93185186386108, 0.0, , -0.0352865159511566, , 0.0, 4.76033067703247, , 4.32192802429199, -9.65110884862952e-05, 0.20412415266037, 0.0, , 3.11111116409302, 3.64626431465149, , 0.0, 0.0, 0.00272820144891739, 0.0, , , 2.69067072868347, , 1.71464776992798, 0.000587192887905985, 0.0, 1.96861410140991, 0.0, 0.25, 0.0, 2.0, 1.51341998577118, 0.0, 0.0, 0.75, 0.637136876583099, , , 0.0, , 0.348461717367172, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 439.010009765625, 0.0320750139653683, 0.0, 0.0226804614067078, 107.0, , 0.0, , , 12.0299997329712, 0.0, 1.0, 0.428571432828903, 0.0, 0.0, , 1.0, , 0.0, 0.0, 0.0, , , 133.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, , , , 8.73702907562256, 5.0, , , 4.19535875320435, , , , 0.0, , 0.0, , 10.3599882125854, , 10.3323707580566, 42.0, 493.571624755859, 0.0, 0.0, , 0.0, 6.30096483230591, , 11.3323707580566, 0.0, 513.463195800781, , 0.0, 3.67845058441162, 9.33237075805664, , 0.117851130664349, 0.0, 573.573486328125, , 0.0, 2.26592874526978, , 6.33237028121948, 0.0, , 459.897857666016, 1.42194879055023, , 0.0, 283.881530761719, 0.865199267864227, , 1.0, , 0.0, 0.0, 0.566729784011841, , 0.0, , , 0.216090485453606, 0.0, , 0.0985707640647888, 0.0, , 0.0, 
-InChI%3D1S%2FC3H6Cl2%2Fc4-2-1-3-5%2Fh1-3H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.12132024765015, 0.0, 0.0, 0.0903814658522606, 5.0, 2.41421365737915, 0.0, 0.0, -0.0295781865715981, 0.0, 0.0, 4.0, 0.0, 3.32192802429199, 0.00195493409410119, 0.0, 0.0, 0.0, 4.0, 1.35355341434479, 0.0, 0.0, 0.0, -0.0432625934481621, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0256951116025448, 0.0, 0.353553384542465, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 80.0199966430664, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 1.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 20.4255065917969, 0.0, 7.90347480773926, 14.0, 200.150161743164, 0.0, 0.0, 0.0, 0.0, 4.38910722732544, 0.0, 6.90347480773926, 0.0, 170.222457885742, 0.0, 0.0, 2.60356736183167, 5.90347480773926, 0.0, 0.0, 0.0, 121.519538879395, 0.0, 0.0, 1.48744678497314, 0.0, 8.71275329589844, 0.0, , 71.864372253418, 0.801783740520477, 0.0, 0.0, 26.7819194793701, 0.454568654298782, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H17NO%2Fc1-3-12%287-8-13%2911-6-4-5-10%282%299-11%2Fh4-6%2C9%2C13H%2C3%2C7-8H2%2C1-2H3, 5.0, 0.5, , , , , 0.0, 2.0, 1.34078931808472 1.34078931808472, 0.68522834777832 0.68522834777832, , 2.08528590202332 2.08528590202332, 0.902071118354797 0.902071118354797, , 2.52520251274109 2.52520251274109, , 0.0, 0.0, 0.88101726770401 0.88101726770401, 0.0, 0.0, 16.0, 9.68179798126221, 0.0, , 0.182959020137787, 11.0769233703613, 6.27438688278198, 0.0, , -0.0835202634334564, , 0.0, 5.671875, , 4.70043992996216, -0.0733458921313286, 0.622008442878723, 0.0, , 3.32409977912903, 4.98886060714722, , 0.0, 0.16666667163372, 0.0936850756406784, 0.0, , , 3.8274667263031, , 3.99947214126587, -0.0171103980392218, 0.0833333358168602, 3.05313229560852, 0.0, 1.54438960552216, 0.0, 3.0, 2.17226195335388, 0.0, 0.0, 0.75, 1.09743714332581, , , 0.0, , 0.571653723716736, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 744.02001953125, 0.0277777779847383, 0.0, 0.0402003787457943, 140.0, , 0.0, , , 23.4699993133545, 0.0, 1.0, 0.428571432828903, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 254.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, , , , 7.53310680389404, 5.0, , , 6.63657808303833, , , , 0.0, , 0.0, , 14.1344566345215, , 13.8306474685669, 58.0, 735.133911132812, 0.0, 0.0, , 0.0, 8.3251485824585, , 16.9968338012695, 0.0, 802.529052734375, , 0.0, 4.70076417922974, 16.885835647583, , 0.353005677461624, 0.0, 998.58935546875, , 0.0, 3.14227938652039, , 14.9965543746948, 0.0, , 945.961547851562, 2.11844277381897, , 0.0372678004205227, 718.9970703125, 1.41516482830048, , 2.0, , 0.0, 0.0, 0.807111203670502, , 0.0, , , 0.368726044893265, 0.0, , 0.149900645017624, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H12O2%2Fc1-5%287%298-6%282%2C3%294%2Fh1-4H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.816496610641479 0.816496610641479, 0.347852885723114 0.347852885723114, 0.0, 2.04124140739441 2.04124140739441, 0.65824830532074 0.65824830532074, 0.0, 1.0206207036972 1.0206207036972, 0.0, 0.0, 0.0, 0.268728733062744 0.268728733062744, 0.0, 0.0, 5.0, 6.78445720672607, 0.0, 0.0, 0.262800455093384, 8.0, 3.41650223731995, 0.0, 0.0, -0.147773697972298, 0.0, 1.0, 2.51999998092651, 0.0, 4.0, 0.0218530427664518, 1.96890842914581, 0.0, 0.0, 7.19999980926514, 4.15863132476807, 0.0, 0.0, 2.12132024765015, 0.00903296656906605, 0.353553384542465, 0.0, 0.0, 1.0206207036972, 0.0, 0.0, -0.0145125342532992, 0.0, 1.22474491596222, 0.0, 1.75476539134979, 0.0, 0.0, 0.0, 0.0, 3.03934264183044, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 305.019989013672, 0.0, 0.0, 0.0, 45.0, 0.0, 0.0, 0.0, 0.0, 26.2999992370605, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 66.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 9.54893779754639, 0.0, 7.99627590179443, 34.0, 285.093475341797, 0.0, 0.0, 0.0, 0.0, 5.8164963722229, 0.0, 12.434928894043, 0.0, 283.114807128906, 0.0, 0.0, 2.61237239837646, 5.33209180831909, 0.0, 1.19570577144623, 0.5, 345.736572265625, 0.0, 0.0, 2.70601606369019, 0.0, 6.99627590179443, 0.20412415266037, , 174.611709594727, 0.449914962053299, 0.0, 0.0, 157.377151489258, 0.431186228990555, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H22O%2Fc1-3-4-5-6-7-8-9-10-11%282%2912%2Fh3-10H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.102062076330185 0.102062076330185, 0.0, 0.20412415266037 0.20412415266037, 0.0721687823534012 0.0721687823534012, 0.0, 0.144337564706802 0.144337564706802, 0.0, 0.0, 0.0, 0.0510310381650925 0.0510310381650925, 0.0, 0.0, 9.0, 9.23420429229736, 0.0, 0.0, 0.121041655540466, 12.0, 5.77005577087402, 0.0, 0.0, -0.0234891343861818, 0.0, 1.0, 9.09090900421143, 0.0, 4.58496236801147, -0.0351925380527973, 0.40824830532074, 0.0, 0.0, 11.1111106872559, 4.30384254455566, 0.0, 0.0, 0.100000001490116, -0.00172985868994147, 0.0, 0.0, 0.0, 2.38502788543701, 0.0, 3.70501327514648, -0.000106062878330704, 0.0, 1.50969266891479, 0.0, 0.666666686534882, 0.0, 8.0, 0.942513883113861, 0.0, 0.0, 1.0, 0.578069627285004, 0.0, 0.0, 0.0, 1.0, 0.346256941556931, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 957.010009765625, 0.0, 0.0, 0.0, 169.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 277.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 11.2405834197998, 8.0, 0.0, 0.0, 2.12520051002502, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 12.7744693756104, 0.0, 11.3320922851562, 44.0, 529.013122558594, 0.0, 0.0, 0.0, 0.0, 8.56510257720947, 0.0, 11.6641836166382, 0.0, 509.270263671875, 0.0, 0.0, 5.26478433609009, 9.33209228515625, 0.0, 0.144337564706802, 0.0, 490.815856933594, 0.0, 0.0, 3.57333540916443, 0.0, 8.33209228515625, 0.0, , 418.455322265625, 2.13239216804504, 0.0, 0.0, 364.2529296875, 1.33105230331421, 0.0, 2.0, 0.0, 0.0, 0.0, 0.816196084022522, 0.0, 0.0, 0.0, 0.0, 0.488749444484711, 0.0, 0.0, 0.283098042011261, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H4Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H, 0.0, 1.0, , , , , 0.0, 2.0, 1.13807117938995 1.13807117938995, 0.749118208885193 0.749118208885193, , 1.04044008255005 1.04044008255005, 0.541612565517426 0.541612565517426, , 1.13807117938995 1.13807117938995, , 0.0, 0.0, 0.499412149190903 0.499412149190903, 0.0, 0.0, 8.0, 5.98312759399414, 0.0, , 0.0880997404456139, 6.125, 3.80453038215637, 0.0, , -0.0181152038276196, , 0.0, 2.51999998092651, , 4.0, -0.0434028655290604, 0.471404522657394, 0.0, , 1.48760330677032, 3.23902487754822, , 0.0, 0.0, 0.0181152038276196, 0.0, , , 2.54033637046814, , 0.0, -0.000647004751954228, 0.16666667163372, 1.50166130065918, 0.0, 0.0, 0.0, 0.0, 1.02437734603882, 0.0, 0.0, 0.333333343267441, 0.333333343267441, , , 0.0, , 0.0833333358168602, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 88.0199966430664, 0.0277777779847383, 0.0, 0.0629940778017044, 54.0, , 0.0, , , 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 60.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, , 0.0, 0.0, 3.96540641784668, 6.0, , , 4.29827976226807, , 0.0, , 0.0, , 0.0, , 23.4255065917969, , 11.9034748077393, 36.0, 465.98779296875, 0.0, 0.0, 0.0, 0.0, 5.57718801498413, , 17.8069496154785, 0.0, 499.026611328125, , 0.0, 2.96124362945557, 23.519702911377, , 0.327326834201813, 0.0, 592.494567871094, , 0.0, 2.22850894927979, , 5.90347480773926, 0.0, , 415.419647216797, 1.5802811384201, , 0.107142858207226, 88.9577713012695, 0.710761308670044, , 0.0, , 0.0, 0.0, 0.401763767004013, 0.0, 0.0, , , 0.125988155603409, 0.0, , 0.0357142873108387, 0.0, 0.0, 0.0, 
-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, 0.0, 5.08567523956299, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 2.28752446174622 2.28752446174622, 0.842227101325989 0.842227101325989, 0.0, 3.82268643379211 3.82268643379211, 1.13913536071777 1.13913536071777, , 5.43558216094971 5.43558216094971, 0.0, 0.0, 0.0, 1.33568215370178 1.33568215370178, 0.0, 0.0, 26.0, 11.6649255752563, 0.0, 0.0, 0.288962483406067, 12.055401802063, 8.343337059021, 0.0, 0.0, -0.0752806514501572, 0.0, 1.0, 5.32544374465942, 0.0, 5.08746290206909, -0.0695564672350883, 0.871785044670105, 0.0, 0.0, 2.55999994277954, 7.3152494430542, 0.0, 0.0, 0.0, -0.0971694737672806, 0.0, , 0.0, 6.2953028678894, 0.0, 0.0, 0.0984468162059784, 0.247599765658379, 5.40602111816406, 0.0, 0.0, 0.0, 1.0, 4.47794342041016, 0.0, 0.0, 0.800000011920929, 2.79184579849243, 0.0, 0.0, 0.0, 1.0, 2.03778409957886, 9.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 689.02001953125, 0.080686129629612, 0.0, 0.0867257416248322, 259.0, 0.0, 0.0, , , 26.2999992370605, 0.0, 2.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 500.0, 0.0, 0.0, 0.240950956940651, 1.0, 0.332161635160446, , 0.0, 0.0, 12.5060062408447, 12.0, 0.0, 0.0, 16.5180625915527, 0.0, 0.0, , 0.0, , 0.0, 1.0, 18.5489387512207, 0.0, 19.9962768554688, 90.0, 1063.77868652344, 0.0, 1.0, 0.0, 0.0, 9.29710578918457, 0.0, 27.9925518035889, 0.0, 1245.64038085938, , 0.0, 5.68246126174927, 28.6567363739014, 0.0, 0.382821500301361, 0.25, 1713.26086425781, 0.0, 0.0, 4.1406364440918, 0.0, 23.7670211791992, 0.0, , 1672.50402832031, 2.99884247779846, , 0.0656214579939842, 1278.41625976562, 2.12662243843079, 0.0, 0.0, 0.0, 0.0, 0.0, 1.49530744552612, 0.0, 0.0, 0.0, 0.0, 0.779245018959045, 0.0, , 0.480264037847519, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H9N%2Fc1-7-6-10-9-5-3-2-4-8%287%299%2Fh2-6%2C10H%2C1H3, 2.0, 2.38110160827637, , , , , 0.0, 1.0, 1.44017744064331 1.44017744064331, 0.593573749065399 0.593573749065399, , 2.30670714378357 2.30670714378357, 0.748690009117126 0.748690009117126, , 2.47490763664246 2.47490763664246, , 0.0, 0.0, 0.661516904830933 0.661516904830933, 0.0, 0.0, 12.0, 6.97469139099121, 0.0, , 0.0622827783226967, 6.69421482086182, 4.87700986862183, 0.0, , -0.0308242123574018, , 0.0, 2.55999994277954, , 4.32192802429199, -0.00169018271844834, 0.538451671600342, 1.0, , 1.12000000476837, 4.26302528381348, , 0.0, 0.0, 0.00120272336062044, 0.0, , , 3.69157242774963, , 1.45452690124512, 0.000168103608302772, 0.164266422390938, 3.03493571281433, 0.0, 1.65096366405487, 0.0, 0.0, 2.13674974441528, 0.0, 0.0, 0.666666686534882, 1.11337172985077, , , 0.0, , 0.676115989685059, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0322748608887196, , 0.0, 271.010009765625, 0.0973204374313354, 0.0, 0.0958541482686996, 83.0, , 0.0, , , 12.8900003433228, 0.0, 2.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 106.0, 0.0962250456213951, 0.0, 0.315641134977341, 0.0, 0.38745841383934, , 1.0, 0.0, 4.74510288238525, 5.0, , , 7.38313722610474, , 0.0, , 0.0, , 0.0, , 10.3599882125854, , 11.3323707580566, 52.0, 536.51611328125, 2.0, 0.0, , 0.0, 5.83396482467651, , 15.498556137085, 0.0, 617.321228027344, , 0.0, 3.34783101081848, 12.498556137085, , 0.281056076288223, 0.0, 836.367919921875, , 0.0, 2.45836067199707, , 6.16618537902832, 0.0, , 612.17578125, 1.72617423534393, , 0.0603005662560463, 275.505218505859, 1.1555849313736, , 1.0, , 0.0, 0.0, 0.672223746776581, , 0.0, , , 0.279937505722046, 0.0, , 0.13916403055191, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC12H10S2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H, 0.0, 0.333333343267441, , , , , 0.0, 2.0, 0.866025388240814 0.866025388240814, 0.782525181770325 0.782525181770325, , 1.18728744983673 1.18728744983673, 0.973070681095123 0.973070681095123, , 1.33742988109589 1.33742988109589, , 0.0, 0.0, 0.954155564308167 0.954155564308167, 0.0, 0.0, 15.0, 9.63998222351074, 0.0, , 0.0210604071617126, 10.5155553817749, 6.94948959350586, 0.0, , 1.19434653242934e-05, , 0.0, 5.77777767181396, , 4.80735492706299, -0.0130092343315482, 0.40824830532074, 0.0, , 3.59183669090271, 5.58542203903198, , 0.0, 0.0, -0.000758019974455237, 0.0, , , 4.43265295028687, , 0.0, 0.00238864263519645, 0.0, 3.42303419113159, 0.0, 0.0, 0.0, 0.0, 2.70790815353394, 0.0, 0.0, 0.800000011920929, 1.28445708751678, , , 0.0, , 0.870790839195251, 10.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 443.019989013672, 0.0641500279307365, 0.0, 0.067998893558979, 212.0, , 0.0, , , 50.5999984741211, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 343.0, 0.0, 0.0, 0.20412415266037, 0.0, 0.144337564706802, , 0.0, 0.0, 12.7378730773926, 12.0, , , 7.16293048858643, , 0.0, , 0.0, , 0.0, , 26.2555065155029, , 24.4673233032227, 66.0, 1181.72241210938, 0.0, 0.0, , 0.0, 8.89349842071533, , 28.0187110900879, 0.0, 1296.48864746094, , 0.0, 6.00496053695679, 28.3582820892334, , 0.35333263874054, 0.0, 1554.90222167969, , 0.0, 4.5022759437561, , 20.0187110900879, 0.0, , 1333.18139648438, 3.4992253780365, , 0.0, 926.999145507812, 2.48962092399597, , 0.0, , 0.0, 0.0, 1.80199110507965, , 0.0, , , 1.03439390659332, 0.0, , 0.643533170223236, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H4N2O5%2Fc9-6-2-1-4%287%2810%2911%293-5%286%298%2812%2913%2Fh1-3%2C9H, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 2.49942326545715 2.49942326545715, 0.478860557079315 0.478860557079315, , 3.04623436927795 3.04623436927795, 0.46395468711853 0.46395468711853, , 3.673011302948 3.673011302948, , 0.0, 0.0, 0.442889362573624 0.442889362573624, 0.0, 0.0, 18.0, 10.0080718994141, 0.0, , 0.227556213736534, 11.0769233703613, 6.01974439620972, 0.0, , 0.0273439045995474, , 0.0, 4.48148155212402, , 4.70043992996216, -0.0364428348839283, 1.20511829853058, 0.0, , 2.72108840942383, 5.70230436325073, , 0.0, 0.0, -0.0637168735265732, 0.0, , , 4.09772968292236, , 0.0, -0.0878850296139717, 0.398974478244781, 2.92551803588867, 0.0, 0.0, 0.0, 0.0, 2.08057975769043, 0.0, 0.0, 1.0, 1.45856332778931, , , 0.0, , 0.481853455305099, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 133.070007324219, 0.0240562614053488, 0.0, 0.0322748608887196, 123.0, , 0.0, , , 111.870002746582, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 240.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.146608799695969, , 0.0, 0.0, 1.65096366405487, 6.0, , , 5.85380077362061, , 0.0, , 0.0, , 0.0, , 17.592321395874, , 15.8783264160156, 62.0, 471.629699707031, 0.0, 0.0, , 0.0, 6.20668458938599, , 22.2062301635742, 2.25160002708435, 537.211364746094, , 0.0, 3.13915109634399, 22.5391273498535, , 0.278170645236969, 0.0, 708.5, , 0.0, 2.18723678588867, , 19.2301235198975, 0.0, , 645.054443359375, 1.36651206016541, , 0.0398475527763367, 401.604095458984, 0.771622776985168, , 0.0, , 0.0, 0.25, 0.457786589860916, , 0.0, , , 0.180733203887939, 0.0, , 0.0535559467971325, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC5H10O%2Fc1-3-5%286%294-2%2Fh3-4H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.577350258827209 0.577350258827209, 0.20412415266037 0.20412415266037, 0.0, 0.288675129413605 0.288675129413605, 0.102062076330185 0.102062076330185, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 4.99156379699707, 0.0, 0.0, 0.119878880679607, 6.0, 2.80806040763855, 0.0, 0.0, -0.0240364763885736, 0.0, 1.0, 3.20000004768372, 0.0, 3.58496260643005, -0.0320155173540115, 0.288675129413605, 0.0, 0.0, 3.0, 1.92166829109192, 0.0, 0.0, 0.25, -0.00395995611324906, 0.0, 0.0, 0.0, 1.39384686946869, 0.0, 2.30940103530884, 7.25067948224023e-05, 0.0, 0.288675129413605, 0.0, 1.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 195.009994506836, 0.0, 0.0, 0.0, 29.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 31.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.5, 2.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 6.77446889877319, 0.0, 5.33209180831909, 20.0, 186.413360595703, 0.0, 0.0, 0.0, 0.0, 4.32246208190918, 0.0, 5.66418409347534, 0.0, 168.843612670898, 0.0, 0.0, 2.32544445991516, 4.66418409347534, 0.0, 0.102062076330185, 0.0, 154.640029907227, 0.0, 0.0, 1.24578189849854, 0.0, 1.0, 0.0, , 104.504852294922, 0.788675129413605, 0.0, 0.0, 25.5056571960449, 0.25, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H4Cl2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 1.47827804088593 1.47827804088593, 0.600843489170074 0.600843489170074, , 1.55802857875824 1.55802857875824, 0.642969727516174 0.642969727516174, , 2.07593297958374 2.07593297958374, , 0.0, 0.0, 0.647317230701447 0.647317230701447, 0.0, 0.0, 10.0, 6.85337114334106, 0.0, , 0.169176921248436, 7.11111116409302, 4.19837713241577, 0.0, , -0.031750924885273, , 0.0, 2.72222232818604, , 4.16992521286011, -0.0476965717971325, 0.760079681873322, 0.0, , 1.70414197444916, 3.87279200553894, , 0.0, 0.0, -0.00949721224606037, 0.0, , , 2.86036610603333, , 0.0, -0.0316599793732166, 0.16666667163372, 1.81676292419434, 0.0, 0.0, 0.0, 0.0, 1.33160018920898, 0.0, 0.0, 0.666666686534882, 0.504473328590393, , , 0.0, , 0.0680413842201233, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 97.0299987792969, 0.0240562614053488, 0.0, 0.0653127580881119, 67.0, , 0.0, , , 20.2299995422363, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 84.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.20412415266037, , 0.0, 0.0, 1.65096366405487, 6.0, , , 5.85380077362061, , , , 0.0, , 0.0, , 25.1999759674072, , 13.2355670928955, 42.0, 505.498382568359, 0.0, 0.0, , 0.0, 5.94705104827881, , 20.471134185791, 0.0, 550.802978515625, , 0.0, 3.09553408622742, 21.4031200408936, , 0.417195379734039, 0.0, 683.856628417969, , 0.0, 2.43936944007874, , 15.9483203887939, 0.0, , 516.554626464844, 1.44755816459656, , 0.0422577112913132, 180.296020507812, 0.889762163162231, , 0.0, , 0.0, 0.0, 0.45963317155838, , 0.0, , , 0.184196949005127, 0.0, , 0.0121987508609891, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC10H10O2%2Fc1-8%2811%297-10%2812%299-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3, 1.0, 1.65096366405487, , , , , 0.0, 1.0, 1.22533845901489 1.22533845901489, 0.380757808685303 0.380757808685303, , 1.79251325130463 1.79251325130463, 0.426263362169266 0.426263362169266, , 2.00341844558716 2.00341844558716, , 0.0, 0.0, 0.408340811729431 0.408340811729431, 0.0, 0.0, 13.0, 8.97469139099121, 0.0, , 0.252506524324417, 10.0833330154419, 5.69837713241577, 0.0, , -0.0309891533106565, , 2.0, 4.88888883590698, , 4.58496236801147, -0.072013258934021, 0.810617208480835, 0.0, , 3.515625, 5.00492286682129, , 0.0, 0.0, -0.0753834694623947, 0.0, , , 3.29775738716125, , 1.24381601810455, 0.055590596050024, 0.117851130664349, 2.63922262191772, 0.0, 1.31037068367004, 0.0, 1.0, 1.70239102840424, 0.0, 0.0, 0.75, 0.770759522914886, , , 0.0, , 0.461675941944122, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 352.019989013672, 0.0320750139653683, 0.0, 0.0160375069826841, 129.0, , 0.0, , , 34.1399993896484, 0.0, 1.0, 0.428571432828903, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 209.0, 0.0, 0.0, 0.102062076330185, 2.0, 0.0589255653321743, , , , 6.94562911987305, 6.0, , , 7.42840480804443, , , , 0.0, , 0.0, , 13.5489377975464, , 12.6641836166382, 54.0, 567.588928222656, 0.0, 0.0, , 0.0, 6.91035461425781, , 16.3283672332764, 0.25, 613.4287109375, , 0.0, 3.776038646698, 14.3283681869507, , 0.299839675426483, 0.0, 744.015930175781, , 0.0, 2.66799354553223, , 13.1028366088867, 0.0, , 630.649169921875, 1.50526690483093, , 0.0240562614053488, 458.708984375, 0.952211737632751, , 1.0, , 0.0, 0.0, 0.557985067367554, , 0.0, , , 0.211041703820229, 0.0, , 0.103326462209225, 0.0, , 0.0, 
-InChI%3D1S%2FC6H14O%2Fc1-2-3-4-5-6-7%2Fh7H%2C2-6H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 5.5355339050293, 0.0, 0.0, 0.0834003686904907, 7.0, 3.41421365737915, 0.0, 0.0, -0.0336307436227798, 0.0, 0.0, 6.0, 0.0, 3.80735492706299, -0.00744553282856941, 0.0, 0.0, 0.0, 6.0, 2.06066012382507, 0.0, 0.0, 0.0, -0.000603174732532352, 0.0, 0.0, 0.0, 1.20710682868958, 0.0, 1.91925978660583, -2.04328189283842e-05, 0.0, 0.676776707172394, 0.0, 0.0, 0.0, 5.0, 0.353553384542465, 0.0, 0.0, 1.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 358.010009765625, 0.0, 0.0, 0.0, 54.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 56.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.67623996734619, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.77446889877319, 0.0, 6.33209180831909, 22.0, 244.452728271484, 0.0, 0.0, 0.0, 0.0, 4.98274755477905, 0.0, 5.33209180831909, 0.0, 221.340866088867, 0.0, 0.0, 3.02333450317383, 4.33209180831909, 0.0, 0.0, 0.0, 183.447982788086, 0.0, 0.0, 1.78426694869995, 0.0, 3.33209204673767, 0.0, , 138.919921875, 1.01166725158691, 0.0, 0.0, 93.698486328125, 0.538580119609833, 0.0, 1.0, 0.0, 0.0, 0.0, 0.255833625793457, 1.0, 0.0, 0.0, 0.0, 0.079056940972805, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H6N2O5%2Fc1-4-2-5%288%2811%2912%293-6%287%284%2910%299%2813%2914%2Fh2-3%2C10H%2C1H3, 1.0, 3.53277564048767, , , , , 0.0, 4.0, 3.07431793212891 3.07431793212891, 0.71903783082962 0.71903783082962, , 3.72613835334778 3.72613835334778, 0.770713925361633 0.770713925361633, , 5.50993871688843 5.50993871688843, , 0.0, 0.0, 0.854152739048004 0.854152739048004, 0.0, 0.0, 21.0, 10.8783149719238, 0.0, , 0.227330312132835, 12.0714282989502, 6.43042802810669, 0.0, , 0.0268555823713541, , 0.0, 4.67999982833862, , 4.80735492706299, -0.0362643748521805, 1.39756846427917, 0.0, , 2.75, 6.2197732925415, , 0.0, 0.0, -0.0636100769042969, 0.0, , , 4.62147760391235, , 0.70710676908493, -0.0861112475395203, 0.517399609088898, 3.19825744628906, 0.0, 1.94196712970734, 0.0, 0.0, 2.52186107635498, 0.0, 0.0, 0.5, 1.48944389820099, , , 0.0, , 0.650820195674896, 2.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 218.070007324219, 0.020833333954215, 0.0, 0.0487841814756393, 134.0, , 0.0, , , 111.870002746582, 0.0, 1.0, 0.333333343267441, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 286.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.17526113986969, , , 0.0, 0.5, 5.0, , , 5.11154460906982, , , , 0.0, , 0.0, , 18.592321395874, , 16.8783264160156, 68.0, 569.2880859375, 0.0, 0.0, , 0.0, 7.12933444976807, , 24.2062301635742, 2.25160002708435, 654.679321289062, , 0.0, 3.55581760406494, 25.8712196350098, , 0.413860201835632, 0.0, 891.355834960938, , 0.0, 2.64462018013, , 22.5624942779541, 0.0, , 853.014221191406, 1.67264795303345, , 0.0698895081877708, 567.191162109375, 0.986880838871002, , 1.0, , 0.0, 0.25, 0.590907156467438, , 0.0, , , 0.237114802002907, 0.0, , 0.0840884298086166, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC4H10O3%2Fc5-1-3-7-4-2-6%2Fh5-6H%2C1-4H2, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 5.5355339050293, 0.0, 0.0, 0.371823161840439, 7.0, 3.41421365737915, 0.0, 0.0, -0.141223073005676, 0.0, 0.0, 6.0, 0.0, 3.80735492706299, -0.195368334650993, 0.0, 0.0, 0.0, 6.0, 2.06066012382507, 0.0, 0.0, 0.0, 0.228310003876686, 0.0, 0.0, 0.0, 1.20710682868958, 0.0, 0.0, -0.0316665060818195, 0.0, 0.676776707172394, 0.0, 0.0, 0.0, 4.0, 0.353553384542465, 0.0, 0.0, 1.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 214.029998779297, 0.0, 0.0, 0.0, 54.0, 0.0, 0.0, 0.0, 0.0, 49.689998626709, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 56.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.94168281555176, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 9.32340717315674, 0.0, 7.32836771011353, 22.0, 170.66926574707, 0.0, 0.0, 0.0, 0.0, 4.13110256195068, 0.0, 6.32836771011353, 0.16666667163372, 154.852432250977, 0.0, 0.0, 2.209805727005, 5.54893827438354, 0.0, 0.0, 0.666666686534882, 127.578620910645, 0.0, 0.0, 1.05958604812622, 0.0, 3.66418385505676, 0.0, , 96.8373794555664, 0.471249312162399, 0.0, 0.0, 66.9539566040039, 0.231161519885063, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0912870913743973, 2.0, 0.0, 0.0, 0.0, 0.020412415266037, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H11N%2Fc1-3-4%282%295%2Fh4H%2C3%2C5H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.235702261328697 0.235702261328697, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.28445720672607, 0.0, 0.0, 0.0270461514592171, 5.0, 2.27005553245544, 0.0, 0.0, -0.00855119153857231, 0.0, 0.0, 2.25, 0.0, 3.32192802429199, -0.00479202764108777, 0.40824830532074, 0.0, 0.0, 4.0, 1.80209517478943, 0.0, 0.0, 0.333333343267441, -0.000179856477188878, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 0.0, 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 205.009994506836, 0.0, 0.0, 0.0, 19.0, 0.0, 0.0, 0.0, 0.0, 26.0200004577637, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.35998821258545, 0.0, 4.16618537902832, 16.0, 167.088851928711, 0.0, 1.0, 0.0, 0.0, 3.86180734634399, 0.0, 4.33237028121948, 0.0, 146.767623901367, 0.0, 1.0, 2.026038646698, 2.16618514060974, 0.0, 0.235702261328697, 0.0, 127.914947509766, 0.0, 0.0, 1.38553214073181, 0.0, 0.0, 0.0, , 53.1194877624512, 0.643950521945953, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H18N2O3%2Fc1-4-11%286-5-7%282%293%298%2814%2912-10%2816%2913-9%2811%2915%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 3.0, 1.98270320892334, 0.0, 0.0, 0.0, 0.0, 2.30940103530884, 0.0, 3.66228413581848 3.66228413581848, 1.68842089176178 1.68842089176178, 0.0, 5.82971620559692 5.82971620559692, 1.95856809616089 1.95856809616089, 0.0, 6.42111015319824 6.42111015319824, 0.0, 0.0, 0.0, 1.74079990386963 1.74079990386963, 0.0, 0.0, 26.0, 12.3449354171753, 0.0, 0.0, 0.408514052629471, 14.0625, 7.41955661773682, 0.0, 0.0, -0.299252420663834, 0.0, 3.0, 5.55765581130981, 0.0, 5.0, 0.287437975406647, 1.62954914569855, 0.0, 0.0, 3.02972650527954, 6.89791011810303, 0.0, 0.0, 0.721124768257141, -0.339144915342331, 0.0833333358168602, 0.0, 0.0, 5.3201150894165, 0.0, 3.20689177513123, 0.154185548424721, 0.537457466125488, 4.18235349655151, 0.0, 3.23092126846313, 0.117851130664349, 3.0, 2.53088140487671, 0.0, 0.944940805435181, 1.0, 1.98396909236908, 0.0, 0.0, 0.0, 1.0, 0.504473328590393, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 916.049987792969, 0.0125000001862645, 0.0, 0.0339611135423183, 186.0, 0.0, 0.0, 0.0, 0.0, 82.25, 0.0, 1.0, 0.5, 0.0, 0.5, 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 418.0, 0.0, 0.0, 0.0481125228106976, 0.0, 0.212378948926926, 0.0, 0.0, 0.0, 1.65096366405487, 3.0, 0.0, 0.0, 4.6288104057312, 0.0, 0.0, 0.0, 0.0, , 2.38110160827637, 0.0, 19.0433826446533, 0.0, 17.6610164642334, 78.0, 929.873413085938, 0.0, 1.0, 0.0, 0.0, 9.89577293395996, 0.0, 26.570405960083, 0.75, 1059.33142089844, 0.0, 0.0, 5.52292728424072, 30.3180313110352, 0.0, 0.975849807262421, 0.0, 1469.98852539062, 0.0, 0.0, 4.52157688140869, 0.0, 27.7555408477783, 0.0625, , 1524.26782226562, 3.01117062568665, 0.0, 0.120710678398609, 1117.29040527344, 1.77189135551453, 0.0, 3.0, 0.0, 0.025000000372529, 0.0, 1.13936233520508, 2.0, 0.0, 0.0, 0.0, 0.693178296089172, 0.0, 0.0, 0.138148695230484, 2.0, 0.0, 0.0, 0.0
-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, 6.0, 5.31624794006348, , , , , 2.38249540328979, 3.0, 3.77821469306946 3.77821469306946, 2.3090763092041 2.3090763092041, , 5.55375480651855 5.55375480651855, 2.50589489936829 2.50589489936829, , 6.86221694946289 6.86221694946289, , 0.0, 0.0, 2.73457169532776 2.73457169532776, 0.0, 0.25, 31.0, 18.0267333984375, 0.0, , 0.440064400434494, 19.7530860900879, 11.8750476837158, 0.0, , -0.236708879470825, , 2.0, 8.34714031219482, , 5.64385604858398, 0.0696933344006538, 2.38108277320862, 0.0, , 5.04166650772095, 11.4226684570312, , 0.0, 1.62865054607391, -0.133622512221336, 0.16666667163372, , , 8.3823709487915, , 4.50471115112305, 0.133488491177559, 0.282117545604706, 6.8114652633667, 0.0, 6.24484920501709, 0.136082768440247, 2.0, 5.10267877578735, 0.0, 2.0, 0.875, 2.94622039794922, , , 0.1666666716337204, 1.0, 1.96376800537109, 7.0, 0.0, 0.5128917098045349, 0.0, 0.0, 0.0, 0.0, 0.441249966621399, , 1.0, 2209.03002929688, 0.592341661453247, 0.0, 0.616183817386627, 622.0, , 1.0, , , 39.439998626709, 1.0, 4.0, 0.466666668653488, 0.1666666716337204, 0.0, 0.0, 0.0, , 0.5474095344543457, 0.0, 1.0, , , 1786.0, 0.614044845104218, 0.0, 1.20906007289886, 1.0, 1.42517483234406, , 0.0, 0.0, 11.5209045410156, 8.0, , , 15.2958040237427, , 0.0, , 0.0, , 1.40460789203644, , 27.3234062194824, , 28.6604595184326, 132.0, 1459.66333007812, 0.0, 2.0, 0.0, 0.0, 15.4124612808228, , 38.7670211791992, 0.0, 1696.34521484375, , 0.0, 8.79548645019531, 33.988826751709, , 1.7460652589798, 0.577350258827209, 2140.09912109375, , 0.0, 7.76019191741943, , 35.0953903198242, 0.16666667163372, , 1840.13598632812, 4.82117462158203, , 0.193447262048721, 1734.50207519531, 3.16357374191284, , 4.0, , 0.0962250456213951, 0.0, 2.11883282661438, 0.0, 0.0, , , 1.01358568668365, 0.0, , 0.504380583763123, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H14S2%2Fc1-5%282%297-8-6%283%294%2Fh5-6H%2C1-4H3, 4.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.577350258827209 0.577350258827209, 1.29741632938385 1.29741632938385, 0.0, 0.333333343267441 0.333333343267441, 0.749063670635223 0.749063670635223, 0.0, 0.666666686534882 0.666666686534882, 0.0, 0.0, 0.0, 1.49812734127045 1.49812734127045, 0.0, 0.0, 5.0, 6.56891393661499, 0.0, 0.0, 0.0211567878723145, 8.0, 3.62589764595032, 0.0, 0.0, 0.0001715820399113, 0.0, 0.0, 3.9375, 0.0, 4.0, -0.0134859783574939, 0.816496610641479, 0.0, 0.0, 7.19999980926514, 3.3650438785553, 0.0, 0.0, 1.62865054607391, -0.000799812085460871, 0.0, 0.0, 0.0, 1.32136726379395, 0.0, 0.0, 0.00290758442133665, 0.0, 0.666666686534882, 0.0, 4.0, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 385.019989013672, 0.0, 0.0, 0.0, 56.0, 0.0, 0.0, 0.0, 0.0, 50.5999984741211, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 74.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 20.2555065155029, 0.0, 16.4673233032227, 30.0, 641.813232421875, 0.0, 2.0, 0.0, 0.0, 7.27469635009766, 0.0, 18.0187110900879, 0.0, 626.6025390625, 0.0, 0.0, 4.6569766998291, 11.6791410446167, 0.0, 1.22398006916046, 0.0, 624.65625, 2.0, 0.0, 4.90007734298706, 0.0, 4.0, 0.0, , 409.367797851562, 2.96936440467834, 0.0, 0.0, 290.205688476562, 1.49812734127045, 0.0, 4.0, 0.0, 0.0, 0.0, 1.49812734127045, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H16O2%2Fc1-3-5-6-7-8-11-9%2810%294-2%2Fh4H%2C2-3%2C5-8H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.492799282073975 0.492799282073975, 0.0680413842201233 0.0680413842201233, 0.0, 0.348461717367172 0.348461717367172, 0.0481125228106976 0.0481125228106976, 0.0, 0.246399641036987 0.246399641036987, 0.0, 0.0, 0.0, 0.0340206921100616 0.0340206921100616, 0.0, 0.0, 9.0, 8.52709770202637, 0.0, 0.0, 0.272670775651932, 11.0, 5.30806064605713, 0.0, 0.0, -0.184270486235619, 0.0, 1.0, 8.10000038146973, 0.0, 4.45943164825439, 0.0762014463543892, 0.288675129413605, 0.0, 0.0, 7.90123462677002, 3.71630859375, 0.0, 0.0, 0.111111111938953, -0.0233154874294996, 0.0, 0.0, 0.0, 2.49740028381348, 0.0, 3.24871182441711, -0.00465518468990922, 0.0, 1.30047678947449, 0.0, 0.534522473812103, 0.0, 5.0, 0.794575989246368, 0.0, 0.0, 0.800000011920929, 0.473461717367172, 0.0, 0.0, 0.0, 1.0, 0.267537385225296, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 566.02001953125, 0.0, 0.0, 0.0, 137.0, 0.0, 0.0, 0.0, 0.0, 26.2999992370605, 1.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 206.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 6.10058832168579, 4.0, 0.0, 0.0, 2.00414514541626, 0.0, 0.0, 0.0, 1.0, , 0.0, 1.0, 12.5489377975464, 0.0, 10.9962759017944, 40.0, 421.639038085938, 0.0, 0.0, 0.0, 0.0, 7.13648748397827, 0.0, 11.7707452774048, 0.0, 403.521545410156, 0.0, 0.0, 4.10095357894897, 10.3283681869507, 0.0, 0.0481125228106976, 0.5, 388.178955078125, 0.0, 0.0, 2.4322817325592, 0.0, 7.66418409347534, 0.0, , 340.226745605469, 1.40887856483459, 0.0, 0.0, 274.882537841797, 0.760525345802307, 0.0, 1.0, 0.0, 0.0, 0.0, 0.412772625684738, 0.0, 0.0, 0.0, 0.0, 0.188012078404427, 0.0, 0.0, 0.0924824476242065, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H3Br2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H, 0.0, 3.53277564048767, , , , , 0.0, 4.0, 2.11262774467468 2.11262774467468, 1.22522139549255 1.22522139549255, , 2.67232036590576 2.67232036590576, 1.95103788375854 1.95103788375854, , 3.43565249443054 3.43565249443054, , 0.0, 0.0, 1.85537922382355, 0.0, 0.0, 15.0, 8.43072128295898, 0.0, , 0.246697813272476, 9.09090900421143, 5.14706563949585, 0.0, , -0.02916538156569, , 0.0, 3.59999990463257, , 4.45943164825439, -0.0739815384149551, 0.867978751659393, , , 1.9753086566925, 4.55936288833618, , , 0.0, 0.0212206728756428, 0.0, , , 3.78272390365601, , 0.0, -0.0908070653676987, 0.272165536880493, 2.47126626968384, 0.0, 0.0, 0.0, 0.0, 1.70471298694611, 0.0, 0.0, 0.5, 0.922798097133636, , , 0.0, , 0.300789654254913, 2.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 86.0400009155273, 0.020833333954215, 0.0, 0.101565323770046, 99.0, , 0.0, , , 44.0200004577637, 0.0, 1.0, 0.333333343267441, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 148.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.205950379371643, , , , 1.5, 5.0, , , 6.60385465621948, , , , 0.0, , 0.0, , 98.6506423950195, , 22.8036289215088, 52.0, 792.205749511719, 0.0, 0.0, , 0.0, 8.47704982757568, , 38.4410705566406, 0.0, 884.969421386719, , 0.0, 4.31587505340576, 54.3312072753906, , 0.706181764602661, 0.0, 1152.01550292969, , 0.0, 3.60897612571716, , 75.5332565307617, 0.0, , 1014.08013916016, 2.3549702167511, , 0.12677313387394, 511.976257324219, 1.81652009487152, , 0.0, , 0.0, 0.0, 0.695075154304504, , 1.0, , , 0.465284466743469, 1.0, , 0.0776064842939377, 0.0, , 0.0, 
-InChI%3D1S%2FC5H12N2%2Fc1-7-4-2-6-3-5-7%2Fh6H%2C2-5H2%2C1H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.31622776389122 0.31622776389122, 0.0, 0.433012694120407 0.433012694120407, 0.269917279481888 0.269917279481888, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0, 0.0, 0.223606795072556 0.223606795072556, 0.0, 0.0, 5.0, 5.11288404464722, 0.0, 0.0, 0.165817841887474, 5.14285707473755, 3.3938467502594, 0.0, 0.0, -0.0994803160429001, 0.0, 0.0, 2.34375, 0.0, 3.80735492706299, -0.0603664331138134, 0.288675129413605, 0.0, 0.0, 1.5, 2.74318218231201, 0.0, 0.0, 0.0, 0.0962349399924278, 0.0, 0.0, 0.0, 1.89384686946869, 0.0, 1.63299322128296, -0.0192971155047417, 0.0, 1.30671286582947, 0.0, 0.0, 0.0, 4.0, 0.901047587394714, 0.0, 0.0, 0.333333343267441, 0.20412415266037, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 319.019989013672, 0.0559016987681389, 0.0, 0.0559016987681389, 45.0, 0.0, 0.0, 0.0, 0.0, 15.2700004577637, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 42.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.102062076330185, 0.0, 0.0, 0.0, 3.30192732810974, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 7.71997594833374, 0.0, 7.83092641830444, 30.0, 310.783996582031, 0.0, 0.0, 0.0, 0.0, 4.7756404876709, 0.0, 8.66474056243896, 0.0, 320.300476074219, 0.0, 0.0, 2.78677582740784, 5.35998821258545, 0.0, 0.223606795072556, 0.0, 356.254455566406, 0.0, 0.0, 2.05327582359314, 0.0, 1.16618525981903, 0.0, , 213.61393737793, 1.34060156345367, 0.0, 0.0, 35.7094421386719, 0.776637971401215, 0.0, 1.0, 0.0, 0.0, 0.0, 0.493524074554443, 0.0, 0.0, 0.0, 0.0, 0.111803397536278, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3, 0.0, 0.0, , , , , 0.0, 1.0, 1.04044008255005 1.04044008255005, 0.493336379528046 0.493336379528046, , 1.05473780632019 1.05473780632019, 0.395739376544952 0.395739376544952, , 1.04044008255005 1.04044008255005, , 0.0, 0.0, 0.328890919685364 0.328890919685364, 0.0, 0.0, 9.0, 6.69023466110229, 0.0, , 0.0936712920665741, 7.11111116409302, 4.30453062057495, 0.0, , -0.062448363751173, , 0.0, 3.23966932296753, , 4.16992521286011, 0.0101056341081858, 0.5, , , 2.0, 3.6421070098877, , 0.0, 0.5, 0.00502008385956287, 0.0, , , 2.59263896942139, , 2.68246150016785, 0.000470615632366389, 0.16666667163372, 1.80083346366882, 0.0, 1.0, 0.0, 0.0, 1.25044357776642, 0.0, 0.0, 0.666666686534882, 0.451184451580048, , , 0.0, , 0.235702261328697, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 328.010009765625, 0.0320750139653683, 0.0, 0.0143443830311298, 69.0, , 0.0, , , 3.24000000953674, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 88.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0589255653321743, , , , 6.08364343643188, 6.0, , , 3.04182171821594, , , , 0.0, , 0.0, , 9.35998821258545, , 9.49855613708496, 40.0, 452.774993896484, 0.0, 0.0, , 0.0, 5.83396482467651, , 11.3323707580566, 0.0, 480.069946289062, , 0.0, 3.02871751785278, 9.33237075805664, , 0.298142403364182, 0.0, 570.351928710938, , 0.0, 2.22997641563416, , 5.16618537902832, 0.0, , 441.315216064453, 1.27259135246277, , 0.0745356008410454, 213.384414672852, 0.72613650560379, , 2.0, , 0.0, 0.0, 0.414273083209991, , 0.0, , , 0.128069564700127, 0.0, , 0.0573775321245193, 0.0, , 0.0, 
-InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, 0.0, 3.53277564048767, , , , , 0.0, 4.0, 2.00613451004028 2.00613451004028, 0.854016959667206 0.854016959667206, , 2.69851565361023 2.69851565361023, 1.26715743541718 1.26715743541718, , 3.27736973762512 3.27736973762512, , 0.0, 0.0, 1.17672204971313 1.17672204971313, 0.0, 0.0, 13.0, 7.72361469268799, 0.0, , 0.224122390151024, 8.10000038146973, 4.60906076431274, 0.0, , -0.0252691581845284, , 0.0, 2.93877553939819, , 4.32192802429199, -0.0815110579133034, 0.952529728412628, 0.0, , 1.75, 4.39026069641113, , 0.0, 0.0, -0.0452231466770172, 0.0, , , 3.34344482421875, , 0.0, 0.00426270300522447, 0.272165536880493, 2.35571956634521, 0.0, 0.0, 0.0, 0.0, 1.30466866493225, 0.0, 0.0, 0.666666686534882, 0.69780433177948, , , 0.0, , 0.111111111938953, 2.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 79.0400009155273, 0.020833333954215, 0.0, 0.0801852867007256, 76.0, , 0.0, , , 20.2299995422363, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 110.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.222222223877907, , , , 0.5, 6.0, , , 5.11154460906982, , , , 0.0, , 0.0, , 33.9127311706543, , 16.1873035430908, 48.0, 646.325500488281, 0.0, 0.0, , 0.0, 7.00359439849854, , 26.3746089935303, 0.0, 719.2841796875, , 0.0, 3.57914757728577, 31.2385787963867, , 0.572210788726807, 0.0, 932.21142578125, , 0.0, 2.9688777923584, , 36.3255653381348, 0.0, , 777.693481445312, 1.77611458301544, , 0.0731925070285797, 346.188537597656, 1.35156226158142, , 0.0, , 0.0, 0.0, 0.493614852428436, , 0.0, , , 0.306730449199677, 0.0, , 0.0211288556456566, 0.0, , 0.0, 
-InChI%3D1S%2FC5H5BrN2%2Fc6-4-1-2-5%287%298-3-4%2Fh1-3H%2C%28H2%2C7%2C8%29, 1.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.816496610641479 0.816496610641479, 0.809365212917328 0.809365212917328, 0.0, 0.760079681873322 0.760079681873322, 0.658991515636444 0.658991515636444, 0.0, 1.13807117938995 1.13807117938995, 0.0, 0.0, 0.0, 0.815781891345978 0.815781891345978, 0.5, 0.0, 7.0, 5.98312759399414, 0.0, 0.0, 0.114943027496338, 6.125, 3.78769373893738, 0.0, 0.0, -0.0504700802266598, 0.0, 1.0, 2.51999998092651, 0.0, 4.0, -0.00440049171447754, 0.577350258827209, 0.0, 0.0, 1.79999995231628, 3.3650438785553, 0.0, 0.0, 0.0, 0.0117171900346875, 0.0, 0.0, 0.0, 2.30453038215637, 0.0, 0.0, -0.0325699672102928, 0.0, 1.4267463684082, 0.0, 0.0, 0.0, 3.0, 1.30473780632019, 0.0, 0.0, 0.666666686534882, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 233.029998779297, 0.0510310381650925, 0.0, 0.125738486647606, 58.0, 0.0, 0.0, 1.0, 0.0, 35.8800010681152, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 62.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, 0.0, 0.0, 0.0, 1.65096366405487, 3.0, 0.0, 0.0, 4.24264049530029, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 51.9780654907227, 0.0, 14.1512308120728, 36.0, 484.582885742188, 0.0, 1.0, 0.0, 0.0, 6.16263151168823, 0.0, 22.1638946533203, 0.0, 512.491394042969, 0.0, 0.0, 3.65749669075012, 19.9094829559326, 0.0, 0.655335068702698, 0.0, 599.881958007812, 0.0, 0.0, 3.29037189483643, 0.0, 7.81886053085327, 0.0, , 396.723083496094, 2.02608823776245, 0.0, 0.0, 105.12735748291, 1.11613798141479, 0.0, 0.0, 0.0, 0.0, 0.0, 0.918734669685364, 0.0, 0.0, 0.0, 0.0, 0.251476973295212, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H8FN%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C9H%2C1H3, 0.0, 0.333333343267441, , , , , 0.0, 2.0, 0.901047587394714 0.901047587394714, 0.252297669649124 0.252297669649124, , 0.937443673610687 0.937443673610687, 0.229483023285866 0.229483023285866, , 1.06903564929962 1.06903564929962, , 0.0, 0.0, 0.182033777236938 0.182033777236938, 0.0, 0.0, 9.0, 6.69023466110229, 0.0, , 0.15069717168808, 7.11111116409302, 4.3256983757019, 0.0, , -0.0612408742308617, , 0.0, 3.23966932296753, , 4.16992521286011, -0.00498858978971839, 0.492799282073975, 0.0, , 2.0, 3.53414583206177, , 0.0, 0.0, -0.00830716174095869, 0.0, , , 2.7127788066864, , 1.15470051765442, -0.0444905161857605, 0.0, 1.73736357688904, 0.0, 0.63245552778244, 0.0, 0.0, 1.37377345561981, 0.0, 0.0, 1.0, 0.686886727809906, , , 0.0, , 0.117851130664349, 4.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 217.020004272461, 0.0277777779847383, 0.0, 0.0243879016488791, 77.0, , 0.0, , , 12.0299997329712, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 1.0, , 0.0, 0.0, 0.0, , , 90.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , 0.0, 0.0, 3.30192732810974, 6.0, , , 5.65685415267944, , 0.0, , 0.0, , 0.0, , 10.8620319366455, , 9.91415596008301, 40.0, 379.875885009766, 0.0, 0.0, , 0.0, 5.18736553192139, , 12.4959411621094, 0.0, 404.299652099609, , 0.0, 2.76034951210022, 10.4959411621094, , 0.146327406167984, 0.0, 478.451812744141, , 0.0, 1.75689303874969, , 4.74797058105469, 0.0, , 363.579742431641, 1.13289678096771, , 0.0, 143.838577270508, 0.616555273532867, , 1.0, , 0.0, 0.0, 0.365979224443436, , 0.0, , , 0.128385365009308, 0.0, , 0.0277777779847383, 0.0, 0.0, 0.0, 
-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, 4.0, 0.333333343267441, , , , , 0.0, 2.0, 2.27692127227783 2.27692127227783, 3.89029359817505 3.89029359817505, , 3.26561498641968 3.26561498641968, 6.37894535064697 6.37894535064697, , 2.90467572212219 2.90467572212219, , 0.0, 0.0, 5.63368225097656 5.63368225097656, 0.0, 0.5, 22.0, 13.4328746795654, 0.0, , 0.363503187894821, 16.0555553436279, 8.59346580505371, 0.0, , -0.268192201852798, , 0.0, 8.22684288024902, , 5.16992521286011, 0.203071445226669, 1.41957592964172, 0.0, , 6.14400005340576, 7.32878637313843, , 0.0, 0.16666667163372, -0.198948726058006, 0.176776692271233, , , 5.23523759841919, , 2.60468912124634, 0.106704168021679, 0.0, 4.01741123199463, 0.0, 0.478091448545456, 0.0, 3.0, 2.57637596130371, 0.0, 0.0, 0.833333313465118, 1.54124927520752, , , 0.0, , 0.836242616176605, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 850.070007324219, 0.0277777779847383, 0.0, 0.0655177310109138, 307.0, , 0.0, , , 110.959999084473, 0.0, 0.0, 0.454545468091965, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 708.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , 0.0, 0.0, 5.32517290115356, 6.0, , , 5.51069116592407, , 0.0, , 0.0, , 0.0, , 51.2953643798828, , 42.2656745910645, 82.0, 1418.84057617188, 0.0, 0.0, , 0.0, 14.3969869613647, , 58.8993225097656, 0.0, 1551.7314453125, , 0.0, 11.1060810089111, 49.6327514648438, , 2.58399653434753, 0.0, 1910.88977050781, , 0.0, 11.2886247634888, , 46.1238098144531, 0.335410207509995, , 1798.82666015625, 9.15103435516357, , 0.0, 1452.2431640625, 8.21018314361572, , 2.0, , 0.0, 0.0, 5.11293649673462, , 0.0, , , 4.05038070678711, 0.0, , 2.44117069244385, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC9H21N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh4-9H2%2C1-3H3, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.433012694120407 0.433012694120407, 0.335410207509995 0.335410207509995, 0.0, 0.739198923110962 0.739198923110962, 0.572580993175507 0.572580993175507, 0.0, 0.61237245798111 0.61237245798111, 0.0, 0.0, 0.0, 0.474341660737991 0.474341660737991, 0.0, 0.0, 9.0, 7.81999111175537, 0.0, 0.0, 0.0909432992339134, 10.0, 4.84606504440308, 0.0, 0.0, -0.0555074475705624, 0.0, 0.0, 7.11111116409302, 0.0, 4.32192802429199, 0.00213920301757753, 0.20412415266037, 0.0, 0.0, 5.53086423873901, 3.23205089569092, 0.0, 0.0, 0.5, 0.00629388960078359, 0.0, 0.0, 0.0, 2.09077024459839, 0.0, 5.90777826309204, 0.00145873776637018, 0.0, 1.65775752067566, 0.0, 0.0, 0.0, 6.0, 0.866025388240814, 0.0, 0.0, 1.0, 0.433012694120407, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 810.010009765625, 0.0, 0.0, 0.0, 81.0, 0.0, 0.0, 0.0, 0.0, 3.24000000953674, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 138.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.37712240219116, 3.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 10.3599882125854, 0.0, 9.49855613708496, 36.0, 483.272918701172, 0.0, 0.0, 0.0, 0.0, 7.68985414505005, 0.0, 9.49855613708496, 0.0, 473.592437744141, 0.0, 0.0, 4.57000350952148, 9.49855613708496, 0.0, 0.15811388194561, 0.0, 486.603271484375, 0.0, 0.0, 2.84164071083069, 0.0, 9.0, 0.0, , 458.154602050781, 1.61950373649597, 0.0, 0.0, 386.511627197266, 1.28409349918365, 0.0, 3.0, 0.0, 0.0, 0.0, 0.670820415019989, 0.0, 0.0, 0.0, 0.0, 0.335410207509995, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H8O2%2Fc1-4%286%293-5%282%297%2Fh3H2%2C1-2H3, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.471404522657394 0.471404522657394, 0.144337564706802 0.144337564706802, 0.0, 0.942809045314789 0.942809045314789, 0.203263133764267 0.203263133764267, 0.0, 0.235702261328697 0.235702261328697, 0.0, 0.0, 0.0, 0.0294627826660872 0.0294627826660872, 0.0, 0.0, 4.0, 5.86180734634399, 0.0, 0.0, 0.254677981138229, 7.0, 3.12589764595032, 0.0, 0.0, -0.0295709408819675, 0.0, 2.0, 3.06122446060181, 0.0, 3.80735492706299, -0.0769086703658104, 0.816496610641479, 0.0, 0.0, 6.0, 3.02339601516724, 0.0, 0.0, 0.25, -0.0708061456680298, 0.0, 0.0, 0.0, 0.942809045314789, 0.0, 1.0, 0.0499467551708221, 0.0, 0.942809045314789, 0.0, 2.30940103530884, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 154.020004272461, 0.0, 0.0, 0.0, 38.0, 0.0, 0.0, 0.0, 0.0, 34.1399993896484, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 48.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 8.54893779754639, 0.0, 6.66418409347534, 26.0, 206.188735961914, 0.0, 0.0, 0.0, 0.0, 4.52360343933105, 0.0, 8.32836818695068, 0.25, 195.420120239258, 0.0, 0.0, 2.11535501480103, 4.66418409347534, 0.0, 0.288675129413605, 0.0, 202.219284057617, 0.0, 0.0, 1.58080685138702, 0.0, 5.43865299224854, 0.0, , 112.868125915527, 0.497890949249268, 0.0, 0.0, 84.0774383544922, 0.350577056407928, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3, 2.0, 1.0, , , , , 0.0, 1.0, 1.04044008255005 1.04044008255005, 0.636894524097443 0.636894524097443, , 1.05473780632019 1.05473780632019, 0.51089733839035 0.51089733839035, , 1.04044008255005 1.04044008255005, , 0.0, 0.0, 0.42459636926651 0.42459636926651, 0.0, 0.0, 9.0, 6.69023466110229, 0.0, , 0.0, 7.11111116409302, 4.30453062057495, 0.0, , 0.0, , 0.0, 3.23966932296753, , 4.16992521286011, 0.0, 0.5, 0.0, , 2.0, 3.6421070098877, , 0.0, 0.5, 0.0, 0.0, , , 2.59263896942139, , 2.68246150016785, 0.0, 0.16666667163372, 1.80083346366882, 0.0, 2.82842707633972, 0.0, 0.0, 1.25044357776642, 0.0, 0.0, 0.666666686534882, 0.451184451580048, , , 0.0, , 0.235702261328697, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 369.0, 0.0320750139653683, 0.0, 0.0185185186564922, 69.0, , 0.0, , , 0.0, 0.0, 2.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 88.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0589255653321743, , , , 6.08364343643188, 5.0, , , 4.74510288238525, , , , 0.0, , 0.0, , 9.0, , 9.0, 40.0, 469.146789550781, 0.0, 1.0, , 0.0, 5.96410179138184, , 11.0, 0.0, 497.826446533203, , 0.0, 3.35405921936035, 9.0, , 0.38490018248558, 0.0, 589.866333007812, , 0.0, 2.56538414955139, , 5.0, 0.0, , 456.686920166016, 1.46623921394348, , 0.0962250456213951, 221.348648071289, 0.837939083576202, , 2.0, , 0.0, 0.0, 0.478822350502014, , 0.0, , , 0.165337100625038, 0.0, , 0.0740740746259689, 0.0, , 0.0, 
-InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh5H%2C4H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.12132024765015, 0.0, 0.0, 0.127094745635986, 5.0, 2.41421365737915, 0.0, 0.0, -0.0700253546237946, 0.0, 0.0, 4.0, 0.0, 3.32192802429199, -0.0161777287721634, 0.0, 0.0, 0.0, 4.0, 1.35355341434479, 0.0, 0.0, 0.0, 0.0411044731736183, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 1.65096366405487, -0.0184487644582987, 0.0, 0.353553384542465, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 80.0100021362305, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.77446889877319, 0.0, 4.33209180831909, 14.0, 114.092819213867, 0.0, 0.0, 0.0, 0.0, 3.15432047843933, 0.0, 3.33209204673767, 0.0, 95.6312637329102, 0.0, 0.0, 1.41978120803833, 2.33209204673767, 0.0, 0.0, 0.0, 69.3951950073242, 0.0, 0.0, 0.584890604019165, 0.0, 1.33209192752838, 0.0, , 42.0392265319824, 0.255833625793457, 0.0, 0.0, 16.9166107177734, 0.079056940972805, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC15H24O%2Fc1-2-3-4-5-6-7-8-9-14-10-12-15%2816%2913-11-14%2Fh10-13%2C16H%2C2-9H2%2C1H3, 1.0, 0.333333343267441, , , , , 0.0, 2.0, 0.841260969638824 0.841260969638824, 0.305482387542725 0.305482387542725, , 0.95495480298996 0.95495480298996, 0.330354064702988 0.330354064702988, , 1.23672640323639 1.23672640323639, , 0.0, 0.0, 0.346936464309692 0.346936464309692, 0.0, 0.0, 16.0, 11.6399822235107, 0.0, , 0.0754449218511581, 14.0625, 7.8256983757019, 0.0, , -0.0237379856407642, , 0.0, 9.07407379150391, , 5.0, -0.0129380654543638, 0.492799282073975, 0.0, , 7.05817174911499, 6.03589296340942, , 0.0, 0.0, -0.00100556772667915, 0.0, , , 4.35135412216187, , 2.26545667648315, -4.02387195208576e-05, 0.0, 3.00790977478027, 0.0, 0.19245009124279, 0.0, 8.0, 2.36682486534119, 0.0, 0.0, 0.857142865657806, 1.34950733184814, , , 0.0, , 0.773894667625427, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1360.01000976562, 0.0277777779847383, 0.0, 0.0320644564926624, 317.0, , 0.0, , , 20.2299995422363, 0.0, 1.0, 0.461538463830948, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 594.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , 0.0, 0.0, 18.6067581176758, 13.0, , , 7.14251279830933, , 0.0, , 0.0, , 0.0, , 16.7744693756104, , 16.3320922851562, 68.0, 844.865783691406, 0.0, 0.0, 0.0, 0.0, 10.4134693145752, , 18.6641845703125, 0.0, 878.37109375, , 0.0, 6.6056342124939, 16.6641845703125, , 0.192386731505394, 0.0, 980.807983398438, , 0.0, 4.53776741027832, , 12.3320922851562, 0.0, , 870.217651367188, 3.00534558296204, , 0.0, 662.081115722656, 1.94884550571442, , 1.0, , 0.0, 0.0, 1.31613290309906, , 0.0, , , 0.758106887340546, 0.0, , 0.455994307994843, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC8H18S%2Fc1-3-5-7-9-8-6-4-2%2Fh3-8H2%2C1-2H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 6.0, 6.94974756240845, 0.0, 0.0, 0.0265686046332121, 9.0, 4.41421365737915, 0.0, 0.0, -0.0147832706570625, 0.0, 0.0, 8.0, 0.0, 4.16992521286011, 0.000150809966726229, 0.0, 0.0, 0.0, 8.0, 2.76776695251465, 0.0, 0.0, 0.125, 0.00109141739085317, 0.0, 0.0, 0.0, 1.70710682868958, 0.0, 3.65134453773499, 0.000230974459555, 0.0, 1.03033006191254, 0.0, 0.0, 0.0, 6.0, 0.603553414344788, 0.0, 0.0, 1.0, 0.338388353586197, 0.0, 0.0, 0.0, 0.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 604.010009765625, 0.0, 0.0, 0.0, 96.0, 0.0, 0.0, 0.0, 0.0, 25.2999992370605, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 120.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.12046384811401, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 15.1277532577515, 0.0, 11.3395700454712, 30.0, 510.113861083984, 0.0, 0.0, 0.0, 0.0, 7.46738576889038, 0.0, 10.3395700454712, 0.0, 476.981567382812, 0.0, 0.0, 5.14626455307007, 9.33957004547119, 0.0, 0.0, 0.0, 423.531402587891, 1.0, 0.0, 3.54422402381897, 0.0, 8.33957004547119, 0.0, , 355.480072021484, 2.43915748596191, 0.0, 0.0, 276.741485595703, 1.78458404541016, 0.0, 2.0, 0.0, 0.0, 0.0, 1.04538512229919, 0.0, 0.0, 0.0, 0.0, 0.586105823516846, 0.0, 0.0, 0.306186228990555, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H6O%2Fc1-3-4%282%295%2Fh1%2C4-5H%2C2H3, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.0745356008410454 0.0745356008410454, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.28445720672607, 0.0, 0.0, 0.0952058061957359, 5.0, 2.27005553245544, 1.0, 0.0, -0.0434895046055317, 0.0, 0.0, 2.25, 0.0, 3.32192802429199, -0.0059764520265162, 0.40824830532074, 0.0, 0.0, 4.0, 1.80209517478943, 0.0, 0.0, 0.333333343267441, 0.00186305318493396, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 80.0100021362305, 0.0, 0.0, 0.0, 19.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.77446889877319, 0.0, 4.33209180831909, 16.0, 122.242790222168, 0.0, 1.0, 0.0, 0.0, 3.10191416740417, 0.0, 4.66418409347534, 0.0, 107.536979675293, 0.0, 0.0, 1.41289937496185, 2.33209204673767, 0.0, 0.129099443554878, 0.0, 93.059455871582, 0.0, 0.0, 0.842640161514282, 0.0, 0.0, 0.0, , 38.0336570739746, 0.241202265024185, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H15NO%2Fc1-11%282%2C3%299-6-4-8%285-7-9%2910%2812%2913%2Fh4-7H%2C1-3H3%2C%28H2%2C12%2C13%29, 3.0, 1.31037068367004, , , , , 1.10520946979523, 2.0, 2.90232181549072 2.90232181549072, 1.4586501121521 1.4586501121521, , 3.10082006454468 3.10082006454468, 1.3632538318634 1.3632538318634, , 2.95011830329895 2.95011830329895, , 0.0, 0.0, 1.09864497184753 1.09864497184753, 0.0, 0.0, 17.0, 10.0604782104492, 0.0, , 0.145070344209671, 11.0769233703613, 5.90970230102539, 0.0, , -0.061958696693182, , 1.0, 4.02216053009033, , 4.70043992996216, -0.00435376539826393, 2.01036286354065, 0.0, , 3.0, 6.22174596786499, , 0.0, 1.5, -0.00587500585243106, 0.288675129413605, , , 3.93939232826233, , 3.46410155296326, -0.000338248850312084, 0.599679350852966, 2.65188837051392, 0.0, 2.29892826080322, 0.144337564706802, 0.0, 1.73505914211273, 0.0, 3.0, 0.75, 1.28640246391296, , , 0.0, , 1.01980030536652, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 1.0, 628.02001953125, 0.0277777779847383, 0.0, 0.0277777779847383, 139.0, , 0.0, , , 43.0900001525879, 0.0, 2.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 1.0, , , 252.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.0897791907191277, , 0.0, 0.0, 3.30192732810974, 4.0, , , 7.06555128097534, , 0.0, , 0.0, , 1.63299322128296, , 14.1344566345215, , 13.4982776641846, 64.0, 762.235534667969, 0.0, 0.0, , 0.0, 8.29500007629395, , 20.0517425537109, 0.0, 850.209533691406, , 1.0, 4.31416654586792, 17.9965553283691, , 1.47559225559235, 0.0, 1145.20593261719, , 0.0, 4.19160127639771, , 12.9965543746948, 0.25, , 982.462585449219, 2.03544330596924, , 0.269641846418381, 639.286010742188, 1.13449430465698, , 3.0, , 0.0833333358168602, 0.0, 0.636691570281982, , 0.0, , , 0.413379371166229, 0.0, , 0.233910888433456, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H15N%2Fc1-2-3-4-5-6-7%2Fh2-7H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 5.5355339050293, 0.0, 0.0, 0.0296331718564034, 7.0, 3.41421365737915, 0.0, 0.0, -0.0120891109108925, 0.0, 0.0, 6.0, 0.0, 3.80735492706299, -0.00252518872730434, 0.0, 0.0, 0.0, 6.0, 2.06066012382507, 0.0, 0.0, 0.0, -0.000196016044355929, 0.0, 0.0, 0.0, 1.20710682868958, 0.0, 1.91925978660583, -6.19201682638959e-06, 0.0, 0.676776707172394, 0.0, 0.0, 0.0, 5.0, 0.353553384542465, 0.0, 0.0, 1.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 399.010009765625, 0.0, 0.0, 0.0, 54.0, 0.0, 0.0, 0.0, 0.0, 26.0200004577637, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 56.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.67623996734619, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.35998821258545, 0.0, 6.16618537902832, 22.0, 266.808227539062, 0.0, 0.0, 0.0, 0.0, 5.11288404464722, 0.0, 5.16618537902832, 0.0, 240.595443725586, 0.0, 1.0, 3.11535501480103, 4.16618537902832, 0.0, 0.0, 0.0, 199.819686889648, 0.0, 0.0, 1.84933531284332, 0.0, 3.16618514060974, 0.0, , 153.058120727539, 1.05767750740051, 0.0, 0.0, 105.439064025879, 0.571114242076874, 0.0, 1.0, 0.0, 0.0, 0.0, 0.278838753700256, 0.0, 0.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H6N2O5.Na.2H2O%2Fc13-10-7-4-2-1-3-6%287%298%2811%2814%2915%295-9%2810%2912%2816%2917%3B%3B%3B%2Fh1-5%2C13H%3B%3B2%2A1H2%2Fq%3B%2B1%3B%3B%2Fp-1, 0.0, 6.08364343643188, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 3.37307858467102 3.37307858467102, 0.700938820838928 0.700938820838928, 0.0, 5.28289127349854 5.28289127349854, 0.897090971469879 0.897090971469879, 0.0, 7.81871652603149 7.81871652603149, 0.0, 0.0, 0.0, 1.04515826702118 1.04515826702118, 0.0, 0.0, 29.0, 12.5769853591919, 0.0, 0.0, 0.315698623657227, 22.2839508056641, 8.01974487304688, 0.0, 0.0, 0.013379342854023, 0.0, 0.0, 9.1065092086792, 0.0, 5.32192802429199, -0.0538613796234131, 1.40344786643982, 0.0, 0.0, 4.4963264465332, 7.52272844314575, 0.0, 0.0, 0.0, -0.0804107561707497, 0.0, 0.0, 0.0, 6.03243446350098, 0.0, 0.0, -0.0872345045208931, 0.540411472320557, 5.03968477249146, 0.0, 0.0, 0.0, 0.0, 4.05884408950806, 0.0, 0.0, 999.0009765625, 2.9439594745636, 0.0, 0.0, 0.0, 4.0, 1.65479731559753, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 349.100006103516, 0.0458199754357338, 0.0, 0.064748540520668, 1640261632.0, 0.0, 0.0, 0.0, 0.0, 114.699996948242, 0.0, 2.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 54000001024.0, 0.0, 0.0, 0.128694251179695, 0.0, 0.258114278316498, 0.0, 0.0, 0.0, 4.50879764556885, 8.0, 0.0, 0.0, 10.5838384628296, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 28.8050441741943, 0.0, 20.8783264160156, 88.0, 864.517761230469, 2.0, 0.0, 0.0, 0.0, 8.91417217254639, 0.0, 30.2062301635742, 2.25160002708435, 1031.89477539062, 0.0, 0.0, 4.33221101760864, 34.0374031066895, 0.0, 0.347972601652145, 0.0, 1475.90795898438, 0.0, 0.0, 3.09962177276611, 0.0, 34.0570487976074, 0.0, , 1528.11572265625, 2.13258790969849, 0.0, 0.060983806848526, 1168.08032226562, 1.44619250297546, 0.0, 0.0, 0.0, 0.0, 0.25, 0.989161133766174, 0.0, 0.0, 0.0, 0.0, 0.484936118125916, 0.0, 0.0, 0.252273172140121, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H8N2O2%2Fc1-5%282%293%288%296-4%289%297-5%2Fh1-2H3%2C%28H2%2C6%2C7%2C8%2C9%29, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 0.0, 2.61099028587341 2.61099028587341, 0.839295625686646 0.839295625686646, 0.0, 3.21292543411255 3.21292543411255, 0.744787156581879 0.744787156581879, 0.0, 3.21929550170898 3.21929550170898, 0.0, 0.0, 0.0, 0.468328148126602 0.468328148126602, 0.0, 0.0, 10.0, 7.06891393661499, 0.0, 0.0, 0.291796505451202, 7.11111116409302, 4.02167415618896, 0.0, 0.0, -0.231060996651649, 0.0, 2.0, 2.0, 0.0, 4.16992521286011, 0.138454422354698, 1.54327607154846, 0.0, 0.0, 1.27999997138977, 4.43462705612183, 0.0, 0.0, 0.5, -0.0688952803611755, 0.20412415266037, 0.0, 0.0, 2.96454381942749, 0.0, 0.0, 0.0156035954132676, 0.492799282073975, 2.10521459579468, 0.0, 1.63299322128296, 0.144337564706802, 0.0, 1.02022004127502, 0.0, 2.0, 0.333333343267441, 0.16666667163372, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.025000000372529, 0.0, 1.0, 217.039993286133, 0.0723606795072556, 0.0, 0.0747213587164879, 58.0, 0.0, 0.0, 0.0, 0.0, 65.1800003051758, 0.0, 1.0, 0.25, 0.0, 0.5, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 79.0, 0.0833333358168602, 0.0, 0.333333343267441, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 11.2689142227173, 0.0, 10.3289251327515, 46.0, 387.195983886719, 0.0, 0.0, 0.0, 0.0, 5.28885459899902, 0.0, 17.017219543457, 0.25, 435.239990234375, 0.0, 0.0, 2.59164071083069, 12.5462961196899, 0.0, 0.791934967041016, 0.0, 614.35595703125, 0.0, 0.0, 2.40623068809509, 0.0, 4.43865299224854, 0.111803397536278, , 367.212066650391, 1.13262379169464, 0.0, 0.0947213619947433, 80.3561325073242, 0.556524753570557, 0.0, 2.0, 0.0, 0.0223606806248426, 0.0, 0.205901697278023, 2.0, 0.0, 0.0, 0.0, 0.0223606806248426, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.0322748608887196 0.0322748608887196, 0.0, 0.288675129413605 0.288675129413605, 0.0322748608887196 0.0322748608887196, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 4.99156379699707, 0.0, 0.0, 0.251423269510269, 6.0, 2.77005553245544, 0.0, 0.0, -0.215733915567398, 0.0, 1.0, 3.20000004768372, 0.0, 3.58496260643005, 0.121631443500519, 0.40824830532074, 0.0, 0.0, 5.33333349227905, 2.18252205848694, 0.0, 0.0, 0.0, -0.0234279092401266, 0.0, 0.0, 0.0, 0.866025388240814, 0.0, 1.0, -0.00818125810474157, 0.0, 0.577350258827209, 0.0, 0.333333343267441, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 114.029998779297, 0.0, 0.0, 0.0, 31.0, 0.0, 0.0, 0.0, 0.0, 53.310001373291, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 7.90892601013184, 0.0, 6.16246128082275, 20.0, 139.028106689453, 0.0, 0.0, 0.0, 0.0, 3.56256866455078, 0.0, 7.21349287033081, 0.0, 124.140464782715, 0.0, 0.0, 1.67351281642914, 3.49827718734741, 0.0, 0.0456435456871986, 0.5, 112.48445892334, 0.0, 0.0, 0.738165259361267, 0.0, 2.49827718734741, 0.0, , 67.5381774902344, 0.281056076288223, 0.0, 0.0, 37.2463722229004, 0.136718511581421, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H4ClNO%2Fc6-4-2-1-3-5%288%297-4%2Fh1-3H%2C%28H%2C7%2C8%29, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.741581618785858 0.741581618785858, 0.219908773899078 0.219908773899078, 0.0, 1.09341299533844 1.09341299533844, 0.25135412812233 0.25135412812233, 0.0, 1.02022004127502 1.02022004127502, 0.0, 0.0, 0.0, 0.192774698138237 0.192774698138237, 0.0, 0.0, 7.0, 5.98312759399414, 0.0, 0.0, 0.180701449513435, 6.125, 3.78769373893738, 0.0, 0.0, -0.121706277132034, 0.0, 0.0, 2.51999998092651, 0.0, 4.0, 0.0733332484960556, 0.577350258827209, 0.0, 0.0, 1.79999995231628, 3.37694931030273, 0.0, 0.0, 0.0, -0.05511175096035, 0.0, 0.0, 0.0, 2.19858479499817, 0.0, 0.0, 0.0131340520456433, 0.0, 1.73736357688904, 0.0, 0.0, 0.0, 0.0, 0.971404492855072, 0.0, 0.0, 0.333333343267441, 0.451184451580048, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 88.0299987792969, 0.0215165745466948, 0.0, 0.0340200066566467, 54.0, 0.0, 0.0, 0.0, 0.0, 33.1199989318848, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 61.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, 0.0, 1.0, 0.0, 2.38110160827637, 3.0, 0.0, 0.0, 3.30192732810974, 1.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 16.8472099304199, 0.0, 10.6161994934082, 36.0, 353.818054199219, 0.0, 0.0, 0.0, 0.0, 4.76037120819092, 0.0, 15.6119384765625, 0.0, 375.787170410156, 0.0, 0.0, 2.4817841053009, 11.7338438034058, 0.0, 0.20412003993988, 0.0, 441.216552734375, 0.0, 0.0, 1.70575821399689, 0.0, 8.2158145904541, 0.0, , 296.029174804688, 0.910911679267883, 0.0, 0.0, 98.1826858520508, 0.556878983974457, 0.0, 0.0, 0.0, 0.0, 0.0, 0.264094859361649, 1.0, 0.0, 0.0, 0.0, 0.0924375131726265, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H10O2%2Fc1-4-5-9-7%288%296%282%293%2Fh4H%2C1-2%2C5H2%2C3H3, 2.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.20710682868958 1.20710682868958, 0.244929805397987 0.244929805397987, 0.0, 0.617851138114929 0.617851138114929, 0.118337497115135 0.118337497115135, 0.0, 0.638071179389954 0.638071179389954, 0.0, 0.0, 0.0, 0.0913627222180367 0.0913627222180367, 0.0, 0.0, 8.0, 7.27602100372314, 0.0, 0.0, 0.273704469203949, 9.0, 4.180739402771, 0.0, 0.0, -0.19878126680851, 0.0, 2.0, 4.83950614929199, 0.0, 4.16992521286011, 0.113978303968906, 0.569035589694977, 0.0, 0.0, 4.5, 3.36352944374084, 0.0, 0.0, 0.721124768257141, -0.0573704764246941, 0.0, 0.0, 0.0, 2.15109062194824, 0.0, 1.96925938129425, 0.00465742731466889, 0.235702261328697, 0.859432756900787, 0.0, 2.89047741889954, 0.0, 1.0, 0.557677507400513, 0.0, 0.0, 1.0, 0.235702261328697, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 252.020004272461, 0.0, 0.0, 0.0, 74.0, 0.0, 1.0, 0.0, 0.0, 26.2999992370605, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 102.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.3731781244278, 0.0, 0.0, 0.0, 2.0, , 0.0, 1.0, 10.5489377975464, 0.0, 8.99627590179443, 34.0, 333.966094970703, 0.0, 0.0, 0.0, 0.0, 5.51516723632812, 0.0, 10.7707452774048, 0.0, 323.531097412109, 0.0, 0.0, 2.61697340011597, 9.99255180358887, 0.0, 0.218443363904953, 0.5, 338.063446044922, 0.0, 0.0, 1.66746687889099, 0.0, 5.33209180831909, 0.0, , 275.795196533203, 0.680740535259247, 0.0, 0.0294627826660872, 180.889129638672, 0.257812738418579, 0.0, 1.0, 0.0, 0.0, 0.0, 0.124648496508598, 0.0, 0.0, 0.0, 0.0, 0.0502961166203022, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H10O3%2Fc14-12-9-5-4-8-11%2812%2913%2815%2916-10-6-2-1-3-7-10%2Fh1-9%2C14H, 0.0, 3.14734530448914, , , , , 0.0, 3.0, 1.87561523914337 1.87561523914337, 0.459655255079269 0.459655255079269, , 2.97497844696045 2.97497844696045, 0.52942305803299 0.52942305803299, , 3.57279539108276 3.57279539108276, , 0.0, 0.0, 0.504244685173035 0.504244685173035, 0.0, 0.0, 21.0, 11.3804693222046, 0.0, , 0.345616042613983, 12.4567470550537, 7.7708568572998, 0.0, , -0.163453251123428, , 1.0, 6.07438039779663, , 5.0, 0.0511984340846539, 0.811611413955688, 0.0, , 3.49519896507263, 6.64261770248413, , 0.0, 0.0, -0.156414017081261, 0.0, , , 5.33859014511108, , 0.0, 0.122012339532375, 0.19245009124279, 4.31372308731079, 0.0, 0.0, 0.0, 0.0, 3.08332085609436, 0.0, 0.0, 0.800000011920929, 1.59447717666626, , , 0.0, , 0.992761492729187, 9.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 489.029998779297, 0.0598527938127518, 0.0, 0.0394060574471951, 238.0, , 0.0, , , 46.5299987792969, 0.0, 1.0, 0.444444447755814, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 459.0, 0.0, 0.0, 0.185395404696465, 0.0, 0.203614637255669, , , 0.0, 10.1548261642456, 11.0, , , 11.4499855041504, , , , 0.0, , 0.0, , 18.3234062194824, , 18.3283672332764, 78.0, 821.005004882812, 0.0, 0.0, , 0.0, 8.45986270904541, , 24.7670211791992, 0.25, 919.78564453125, , 0.0, 4.82401323318481, 24.3209190368652, , 0.246426552534103, 0.70710676908493, 1172.68969726562, , 0.0, 3.21972107887268, , 21.2056732177734, 0.0, , 1072.47143554688, 2.07771754264832, , 0.0306620299816132, 814.431091308594, 1.29680478572845, , 0.0, , 0.0, 0.0, 0.783696174621582, , 0.0, , , 0.284300923347473, 0.0, , 0.144257128238678, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC2H3Cl2NO%2Fc3-1%284%292%285%296%2Fh1H%2C%28H2%2C5%2C6%29, 1.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.33333337306976 1.33333337306976, 0.497946888208389 0.497946888208389, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 5.154700756073, 0.0, 0.0, 0.221600770950317, 6.0, 2.64273452758789, 0.0, 0.0, -0.0728827565908432, 0.0, 1.0, 2.22222232818604, 0.0, 3.58496260643005, -0.110800169408321, 0.666666686534882, 0.0, 0.0, 3.0, 2.48803377151489, 0.0, 0.0, 0.0, 0.0728825405240059, 0.0, 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 34.0400009155273, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 44.0800018310547, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 29.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 22.559965133667, 0.0, 9.40175247192383, 22.0, 243.511444091797, 0.0, 1.0, 0.0, 0.0, 4.29235076904297, 0.0, 18.6679725646973, 0.0, 232.625213623047, 0.0, 0.0, 2.07158923149109, 14.748517036438, 0.0, 0.435703456401825, 0.0, 229.193252563477, 0.0, 0.0, 1.78220152854919, 0.0, 0.0, 0.0, , 118.14525604248, 0.620096862316132, 0.0, 0.0829925015568733, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H9N%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6%2C8H2, 1.0, 0.0, , , , , 0.0, 1.0, 0.492799282073975 0.492799282073975, 0.20412415266037 0.20412415266037, , 0.594861328601837 0.594861328601837, 0.196418553590775 0.196418553590775, , 0.492799282073975 0.492799282073975, , 0.0, 0.0, 0.136082768440247 0.136082768440247, 0.0, 0.0, 7.0, 5.81999111175537, 0.0, , 0.0295683071017265, 6.125, 3.9318516254425, 0.0, , -0.0122158136218786, , 0.0, 3.11111116409302, , 4.0, -0.00217621214687824, 0.20412415266037, , , 1.79999995231628, 2.91228413581848, , 0.0, 0.0, -0.000379743170924485, 0.0, , , 2.30209517478943, , 0.0, -1.22295241453685e-05, 0.0, 1.59538793563843, 0.0, 0.0, 0.0, 1.0, 1.10517168045044, 0.0, 0.0, 0.666666686534882, 0.348461717367172, , , 0.0, , 0.144337564706802, 5.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 233.009994506836, 0.0320750139653683, 0.0, 0.0226804614067078, 60.0, , 0.0, , , 26.0200004577637, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 64.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, , , , 7.73231601715088, 5.0, , , 3.96540641784668, , , , 0.0, , 0.0, , 8.35998821258545, , 8.16618537902832, 34.0, 371.371765136719, 0.0, 0.0, , 0.0, 4.67120838165283, , 9.16618537902832, 0.0, 387.458221435547, , 1.0, 2.6724853515625, 7.33237028121948, , 0.117851130664349, 0.0, 435.116180419922, , 0.0, 1.68972265720367, , 3.33237051963806, 0.0, , 312.362762451172, 1.07852697372437, , 0.0, 112.549018859863, 0.614093363285065, , 0.0, , 0.0, 0.0, 0.349584937095642, , 0.0, , , 0.0907218456268311, 0.0, , 0.0261891391128302, 0.0, , 0.0, 
-InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3, 0.0, 0.333333343267441, , , , , 0.0, 2.0, 0.901047587394714 0.901047587394714, 0.232675105333328 0.232675105333328, , 0.937443673610687 0.937443673610687, 0.208409935235977, , 1.06903564929962 1.06903564929962, , 0.0, 0.0, 0.169471442699432, 0.0, 0.0, 9.0, 6.69023466110229, 0.0, , 0.246773108839989, 7.11111116409302, 4.3256983757019, 0.0, , -0.11570879817009, , 0.0, 3.23966932296753, , 4.16992521286011, 0.00146951584611088, 0.492799282073975, , , 2.0, 3.53414583206177, , , 0.0, -0.00875858776271343, 0.0, , , 2.7127788066864, , 1.15470051765442, -0.0671387538313866, 0.0, 1.73736357688904, 0.0, 0.63245552778244, 0.0, 0.0, 1.37377345561981, 0.0, 0.0, 1.0, 0.686886727809906, , , 0.0, , 0.117851130664349, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 217.020004272461, 0.0277777779847383, 0.0, 0.0237628296017647, 77.0, , 0.0, , , 29.4599990844727, 0.0, 0.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 90.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , , , 3.30192732810974, 6.0, , , 5.65685415267944, , , , 0.0, , 0.0, , 10.5489377975464, , 9.99627590179443, 40.0, 366.640869140625, 0.0, 0.0, , 0.0, 5.16486310958862, , 12.3283681869507, 0.0, 391.148651123047, , , 2.65734648704529, 10.3283681869507, , 0.142576977610588, 0.200000002980232, 466.898284912109, , 0.0, 1.69802534580231, , 4.66418409347534, 0.0, , 352.550903320312, 1.0724231004715, , 0.0, 137.953765869141, 0.58222097158432, , 1.0, , 0.0, 0.0, 0.347453951835632, , 0.0, , , 0.117238402366638, 0.0, , 0.0226804614067078, 0.0, , 0.0, 
-InChI%3D1S%2FC12H23N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-11H2%2C1H3, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 10.0, 9.77817440032959, 0.0, 0.0, 0.09846381098032, 13.0, 6.41421365737915, 0.0, 0.0, -0.0162158533930779, 0.0, 0.0, 12.0, 0.0, 4.70043992996216, -0.0282709784805775, 0.0, 0.0, 0.0, 12.0, 4.1819806098938, 0.0, 0.0, 0.0, -0.00442190608009696, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 2.24067330360413, -0.00031278096139431, 0.0, 1.73743689060211, 0.0, 0.0, 0.0, 10.0, 1.10355341434479, 0.0, 0.0, 1.0, 0.691941738128662, 0.0, 0.0, 0.0, 0.0, 0.426776707172394, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1069.01000976562, 0.0, 0.0, 0.0, 216.0, 0.0, 0.0, 0.0, 0.0, 23.7900009155273, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 364.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.1586456298828, 10.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 13.3599882125854, 0.0, 12.1661853790283, 46.0, 577.542541503906, 0.0, 0.0, 0.0, 0.0, 9.01828098297119, 0.0, 11.1661853790283, 0.0, 554.667053222656, 0.0, 0.0, 5.78426694869995, 10.1661853790283, 0.0, 0.0, 0.0, 516.010498046875, 0.0, 0.0, 3.73654103279114, 0.0, 9.16618537902832, 0.0, , 467.214233398438, 2.39213347434998, 0.0, 0.0, 413.832092285156, 1.51471710205078, 0.0, 1.0, 0.0, 0.0, 0.0, 0.946066737174988, 0.0, 1.0, 0.0, 0.0, 0.580581843852997, 1.0, 0.0, 0.348033368587494, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC14H26O4%2Fc1-3-17-13%2815%2911-9-7-5-6-8-10-12-14%2816%2918-4-2%2Fh3-12H2%2C1-2H3, 4.0, 0.111111111938953, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.816496610641479 0.816496610641479, 0.16666667163372 0.16666667163372, 0.0, 0.985598564147949 0.985598564147949, 0.201184466481209 0.201184466481209, 0.0, 0.696923434734344 0.696923434734344, 0.0, 0.0, 0.0, 0.142258897423744 0.142258897423744, 0.0, 0.0909090936183929, 17.0, 13.6399822235107, 0.0, 0.0, 0.53695148229599, 18.0, 8.70190715789795, 0.0, 0.0, -0.333634793758392, 0.0, 2.0, 13.4320983886719, 0.0, 5.16992521286011, 0.117190361022949, 0.577350258827209, 0.0, 0.0, 13.2871971130371, 6.48636436462402, 0.0, 0.0, 0.0666666701436043, -0.0435490682721138, 0.0, 0.0, 0.0, 4.20679569244385, 0.0, 3.19239592552185, -0.00943206343799829, 0.0, 2.96697902679443, 0.0, 0.666666686534882, 0.0, 10.0, 1.56472265720367, 0.0, 0.0, 0.875, 1.01803767681122, 0.0, 0.0, 0.0, 2.0, 0.657361328601837, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1543.0400390625, 0.0, 0.0, 0.0, 388.0, 0.0, 0.0, 0.0, 0.0, 52.5999984741211, 0.0, 0.0, 0.466666668653488, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 891.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.6958742141724, 8.0, 0.0, 0.0, 5.08435297012329, 0.0, 0.0, 0.0, 0.0, , 0.0, 2.0, 21.0978755950928, 0.0, 18.9925518035889, 70.0, 746.705932617188, 0.0, 0.0, 0.0, 0.0, 11.7040605545044, 0.0, 21.5414905548096, 0.0909090936183929, 741.867126464844, 0.0, 0.0, 7.01516723632812, 18.9925518035889, 0.0, 0.117851130664349, 0.852802872657776, 762.90283203125, 0.0, 0.0, 4.23136281967163, 0.0, 17.9925518035889, 0.0, , 721.759643554688, 2.62245202064514, 0.0, 0.0, 668.157836914062, 1.71209478378296, 0.0, 2.0, 0.0, 0.0, 0.0, 1.00230050086975, 0.0, 0.0, 0.0, 0.0, 0.620345115661621, 0.0, 0.0, 0.376150250434875, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC15H26O%2Fc1-6-15%285%2C16%2912-8-11-14%284%2910-7-9-13%282%293%2Fh6%2C9%2C11%2C16H%2C1%2C7-8%2C10%2C12H2%2C2-5H3%2Fb14-11%2B, 4.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.353553384542465, 0.0, 2.15403032302856 2.15403032302856, 1.11366438865662 1.11366438865662, 0.0, 1.84424364566803 1.84424364566803, 0.893750965595245 0.893750965595245, 0.0, 1.09887707233429 1.09887707233429, 0.0, 0.0, 0.0, 0.51108193397522 0.51108193397522, 0.0, 0.0, 16.0, 12.6044483184814, 0.0, 0.0, 0.0848287791013718, 16.0, 7.371009349823, 0.0, 0.0, -0.022271515801549, 0.0, 2.0, 8.14404392242432, 0.0, 5.0, -0.0212020892649889, 1.90403020381927, 0.0, 0.0, 9.953125, 6.83991765975952, 0.0, 0.0, 1.57018625736237, -0.00853828620165586, 0.25, 0.0, 0.0, 3.98598146438599, 0.0, 8.21028804779053, 0.0061208033002913, 0.0, 2.12475252151489, 0.0, 2.80009412765503, 0.0, 4.0, 1.21653461456299, 0.0, 1.31000518798828, 0.833333313465118, 1.12832462787628, 0.0, 0.0, 0.0, 0.0, 0.456948459148407, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1441.01000976562, 0.0, 0.0, 0.0, 254.0, 0.0, 2.0, 0.0, 0.0, 20.2299995422363, 3.0, 1.0, 0.454545468091965, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 562.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 7.21301317214966, 4.0, 0.0, 0.0, 4.95931768417358, 0.0, 0.0, 0.0, 1.0, , 2.52457308769226, 0.0, 16.7744693756104, 0.0, 15.3320922851562, 68.0, 919.804077148438, 0.0, 0.0, 0.0, 0.0, 11.2147979736328, 0.0, 19.9962768554688, 0.0, 943.68994140625, 0.0, 0.0, 6.02148389816284, 16.6641845703125, 0.0, 1.07542383670807, 0.0, 1091.09545898438, 0.0, 0.0, 4.9705982208252, 0.0, 13.3320922851562, 0.0912870913743973, , 925.209045410156, 2.67428755760193, 0.0, 0.0, 787.005798339844, 1.40342795848846, 0.0, 4.0, 0.0, 0.0, 0.0, 0.717503070831299, 1.0, 0.0, 0.0, 0.0, 0.61377340555191, 0.0, 0.0, 0.223943501710892, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H17N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-8H2%2C1H3, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 7.0, 7.65685415267944, 0.0, 0.0, 0.09846381098032, 10.0, 4.91421365737915, 0.0, 0.0, -0.0162158533930779, 0.0, 0.0, 9.0, 0.0, 4.32192802429199, -0.0282709784805775, 0.0, 0.0, 0.0, 9.14285755157471, 3.12132024765015, 0.0, 0.0, 0.0, -0.00442190608009696, 0.0, 0.0, 0.0, 1.95710682868958, 0.0, 2.12520051002502, -0.00031278096139431, 0.0, 1.20710682868958, 0.0, 0.0, 0.0, 7.0, 0.728553414344788, 0.0, 0.0, 0.800000011920929, 0.426776707172394, 0.0, 0.0, 0.0, 0.0, 0.239276692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 586.010009765625, 0.0, 0.0, 0.0, 122.0, 0.0, 0.0, 0.0, 0.0, 23.7900009155273, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 165.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.2405834197998, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 10.3599882125854, 0.0, 9.16618537902832, 34.0, 402.924194335938, 0.0, 0.0, 0.0, 0.0, 6.8969612121582, 0.0, 8.16618537902832, 0.0, 380.191986083984, 0.0, 0.0, 4.28426694869995, 7.16618537902832, 0.0, 0.0, 0.0, 341.943817138672, 0.0, 0.0, 2.67588090896606, 0.0, 6.16618537902832, 0.0, , 293.960388183594, 1.64213347434998, 0.0, 0.0, 242.073608398438, 0.984387040138245, 0.0, 1.0, 0.0, 0.0, 0.0, 0.571066737174988, 0.0, 1.0, 0.0, 0.0, 0.315416812896729, 1.0, 0.0, 0.160533368587494, 0.0, 1.0, 0.0, 0.0
-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%2B%2C7-3%2B, 2.0, 1.74020218849182, , , , , 0.0, 3.0, 2.34792923927307 2.34792923927307, 0.795466125011444 0.795466125011444, , 3.40674638748169 3.40674638748169, 1.01061379909515 1.01061379909515, , 3.89488863945007 3.89488863945007, , 0.0, 0.0, 0.995388627052307 0.995388627052307, 0.0, 0.5, 27.0, 14.4933528900146, 0.0, , 0.541386127471924, 15.8790168762207, 10.3264999389648, 0.0, , -0.390207439661026, , 1.0, 8.0222225189209, , 5.39231729507446, 0.15945890545845, 0.939826428890228, 0.0, , 4.48753452301025, 8.78997230529785, , 0.0, 0.0, -0.0404978170990944, 0.0, , , 7.37469148635864, , 0.0, -0.0060733538120985, 0.201184466481209, 5.90017509460449, 0.0, 0.0, 0.0, 6.0, 4.36853170394897, 0.0, 0.0, 0.857142865657806, 2.67214632034302, , , 0.0, , 1.91190683841705, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0294627826660872, , 0.0, 1344.0400390625, 0.137133896350861, 0.0, 0.101206243038177, 479.0, , 0.0, , , 38.7700004577637, 4.0, 1.0, 0.461538463830948, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 1131.0, 0.117851130664349, 0.0, 0.336770117282867, 4.0, 0.369226783514023, , 0.0, 0.0, 18.127649307251, 8.0, , , 13.060170173645, , 1.0, , 0.0, , 0.0, , 23.6833953857422, , 25.1590156555176, 106.0, 1235.34497070312, 0.0, 0.0, , 0.0, 11.9560508728027, , 33.4869499206543, 0.0, 1390.98779296875, , 0.0, 7.36116933822632, 29.6570148468018, , 0.378584206104279, 0.210818514227867, 1784.51037597656, , 0.0, 5.21687841415405, , 23.1587371826172, 0.0, , 1595.63342285156, 3.70294976234436, , 0.0402412042021751, 1232.630859375, 2.54104065895081, , 0.0, , 0.0, 0.0, 1.67231631278992, , 0.0, , , 0.74518209695816, 0.0, , 0.430970817804337, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H16O%2Fc1-5%282%297%288%296%283%294%2Fh5-8H%2C1-4H3, 4.0, 2.38110160827637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.82136726379395 1.82136726379395, 1.02730774879456 1.02730774879456, 0.0, 1.53960072994232 1.53960072994232, 1.11406552791595 1.11406552791595, 0.0, 0.962250471115112 0.962250471115112, 0.0, 0.0, 0.0, 0.536715269088745 0.536715269088745, 0.0, 0.0, 8.0, 6.73205089569092, 0.0, 0.0, 0.0750840380787849, 8.0, 3.55341792106628, 0.0, 0.0, -0.0243248660117388, 0.0, 0.0, 3.11111116409302, 0.0, 4.0, -0.011153245344758, 0.859116733074188, 0.0, 0.0, 2.8125, 3.34715056419373, 0.0, 0.0, 1.88988161087036, -0.00209324085153639, 0.0, 0.0, 0.0, 2.10313367843628, 0.0, 0.0, 2.9333579732338e-05, 0.38490018248558, 0.769800364971161, 0.0, 6.60385465621948, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 473.010009765625, 0.0, 0.0, 0.0, 43.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 65.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 8.77446937561035, 0.0, 7.33209180831909, 32.0, 355.050231933594, 0.0, 3.0, 0.0, 0.0, 6.17926454544067, 0.0, 9.66418361663818, 0.0, 355.142730712891, 0.0, 0.0, 3.23426651954651, 9.32836818695068, 0.0, 0.752732992172241, 0.0, 403.723968505859, 0.0, 0.0, 2.9786262512207, 0.0, 4.0, 0.0, , 307.47705078125, 1.36608517169952, 0.0, 0.172132596373558, 137.986129760742, 0.769800364971161, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H12N2%2Fc1%2811-3-7-13-8-4-11%292-12-5-9-14-10-6-12%2Fh3-10H%2C1-2H2, 4.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.866025388240814 0.866025388240814, 0.438832193613052 0.438832193613052, 0.0, 1.18728744983673 1.18728744983673, 0.47606697678566 0.47606697678566, 0.0, 1.33742988109589 1.33742988109589, 0.0, 0.0, 0.0, 0.419062048196793 0.419062048196793, 0.0, 0.0, 15.0, 9.63998222351074, 0.0, 0.0, 0.127998381853104, 10.5155553817749, 6.94948959350586, 0.0, 0.0, -0.0704569667577744, 0.0, 0.0, 5.77777767181396, 0.0, 4.80735492706299, 0.00102635368239135, 0.40824830532074, 0.0, 0.0, 3.59183669090271, 5.58542203903198, 0.0, 0.0, 0.0, 0.00548818614333868, 0.0, 0.0, 0.0, 4.43265295028687, 0.0, 0.0, 0.000208212208235636, 0.0, 3.42303419113159, 0.0, 0.0, 0.0, 2.0, 2.70790815353394, 0.0, 0.0, 0.800000011920929, 1.28445708751678, 0.0, 0.0, 0.0, 0.0, 0.870790839195251, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 547.02001953125, 0.0496903993189335, 0.0, 0.0351364202797413, 212.0, 0.0, 0.0, 0.0, 0.0, 25.7800006866455, 0.0, 2.0, 0.444444447755814, 0.0, 0.111111111938953, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 343.0, 0.0, 0.0, 0.20412415266037, 0.0, 0.144337564706802, 0.0, 2.0, 0.0, 13.9110145568848, 6.0, 0.0, 0.0, 8.9230842590332, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 14.7199764251709, 0.0, 15.664740562439, 66.0, 767.909057617188, 0.0, 0.0, 0.0, 0.0, 7.92744302749634, 0.0, 18.6647415161133, 0.0, 839.787170410156, 0.0, 0.0, 4.72793626785278, 15.3323707580566, 0.0, 0.235702261328697, 0.0, 1012.21008300781, 0.0, 0.0, 3.21092367172241, 0.0, 10.3323707580566, 0.0, , 857.872192382812, 2.20106244087219, 0.0, 0.0, 589.890075683594, 1.38758409023285, 0.0, 0.0, 0.0, 0.0, 0.0, 0.902263045310974, 0.0, 0.0, 0.0, 0.0, 0.423324823379517, 0.0, 0.0, 0.234345406293869, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H10Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh5-6H%2C1-4H2%2Ft5-%2C6%3F%2Fm1%2Fs1, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.13807117938995 1.13807117938995, 1.36202049255371 1.36202049255371, 0.0, 1.04044008255005 1.04044008255005, 1.23035514354706 1.23035514354706, 0.0, 1.13807117938995 1.13807117938995, 0.0, 0.0, 0.0, 1.36202049255371 1.36202049255371, 0.0, 0.0, 8.0, 5.98312759399414, 0.0, 0.0, 0.0880997404456139, 6.125, 3.80453038215637, 0.0, 0.0, -0.0181152038276196, 0.0, 0.0, 2.51999998092651, 0.0, 4.0, -0.0434028655290604, 0.471404522657394, 0.0, 0.0, 1.48760330677032, 3.23902487754822, 0.0, 0.0, 0.0, 0.0181152038276196, 0.0, 0.0, 0.0, 2.54033637046814, 0.0, 0.0, -0.000647004751954228, 0.16666667163372, 1.50166130065918, 0.0, 0.0, 0.0, 4.0, 1.02437734603882, 0.0, 0.0, 0.333333343267441, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 268.019989013672, 0.0833333358168602, 0.0, 0.188982233405113, 54.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 60.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, 0.0, 0.0, 0.0, 3.96540641784668, 6.0, 0.0, 0.0, 4.29827976226807, 2.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 23.4255065917969, 0.0, 11.9034748077393, 36.0, 498.044982910156, 0.0, 2.0, 0.0, 0.0, 6.25091457366943, 0.0, 17.8069496154785, 0.0, 534.559753417969, 0.0, 0.0, 3.9591372013092, 23.519702911377, 0.0, 0.534522473812103, 0.0, 633.143127441406, 0.0, 0.0, 3.4376106262207, 0.0, 5.90347480773926, 0.0, , 441.573120117188, 2.77599596977234, 0.0, 0.214285716414452, 93.9672698974609, 1.60095417499542, 0.0, 0.0, 0.0, 0.0, 0.0, 1.09458804130554, 0.0, 0.0, 0.0, 0.0, 0.377964466810226, 0.0, 0.0, 0.107142858207226, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12%2Fc1-2-4-6-5-3-1%2Fh1-6H2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 4.24264049530029, 0.0, 0.0, 0.0, 4.16666650772095, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.22222232818604, 0.0, 3.58496260643005, 0.0, 0.0, 0.0, 0.0, 1.33333337306976, 2.12132024765015, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.0, 6.0, 0.75, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 294.0, 0.125, 0.0, 0.0, 36.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.0, 0.0, 0.0, 0.125, 0.0, 0.0, 0.0, 0.0, 0.0, 9.12546539306641, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 6.0, 0.0, 6.0, 24.0, 257.709838867188, 0.0, 0.0, 0.0, 0.0, 4.24264049530029, 0.0, 6.0, 0.0, 257.709838867188, 0.0, 0.0, 3.0, 3.0, 0.0, 0.0, 0.0, 257.709838867188, 0.0, 0.0, 2.12132024765015, 0.0, 0.0, 0.0, , 128.854919433594, 1.5, 0.0, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.0, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H18S%2Fc1-7%282%2C3%299-8%284%2C5%296%2Fh1-6H3, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.06066012382507 1.06066012382507, 1.83711731433868 1.83711731433868, 0.0, 3.5355339050293 3.5355339050293, 6.12372446060181 6.12372446060181, 0.0, 2.65165042877197 2.65165042877197, 0.0, 0.0, 0.0, 4.59279346466064 4.59279346466064, 0.0, 0.0, 6.0, 7.707106590271, 0.0, 0.0, 0.0244091507047415, 9.0, 3.70710682868958, 0.0, 0.0, -0.00873476453125477, 0.0, 0.0, 2.31952667236328, 0.0, 4.16992521286011, -0.00707833096385002, 3.12132024765015, 0.0, 0.0, 8.0, 5.29809713363647, 0.0, 0.0, 4.94815444946289, 0.00255358102731407, 0.70710676908493, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.00105493958108127, 0.0, 1.5909903049469, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.92820310592651, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 604.010009765625, 0.0, 0.0, 0.0, 52.0, 0.0, 0.0, 0.0, 0.0, 25.2999992370605, 0.0, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 88.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 15.1277532577515, 0.0, 11.3395700454712, 42.0, 675.666687011719, 0.0, 0.0, 0.0, 0.0, 8.22474479675293, 0.0, 23.0187110900879, 0.0, 712.807495117188, 0.0, 0.0, 4.22474479675293, 6.0, 0.0, 4.67423439025879, 0.0, 906.790893554688, 1.0, 0.0, 6.98042106628418, 0.0, 9.0, 1.22474491596222, , 487.81640625, 1.83711731433868, 0.0, 0.0, 494.99853515625, 2.75567603111267, 0.0, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3%2Ft8-%2C9%2B%2C10-%2Fm1%2Fs1, 3.0, 3.14734530448914, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.83847367763519 1.83847367763519, 1.52066850662231 1.52066850662231, 0.0, 2.72335362434387 2.72335362434387, 1.88056206703186 1.88056206703186, 0.0, 2.77096581459045 2.77096581459045, 0.0, 0.0, 0.0, 1.93211650848389 1.93211650848389, 0.0, 0.0, 14.0, 8.43072128295898, 0.0, 0.0, 0.0752622708678246, 9.09090900421143, 5.10906076431274, 0.0, 0.0, -0.0240425206720829, 0.0, 0.0, 3.59999990463257, 0.0, 4.45943164825439, -0.0120851658284664, 0.993793487548828, 0.0, 0.0, 2.21453285217285, 4.80337953567505, 0.0, 0.0, 0.721124768257141, -0.00141777843236923, 0.0, 0.0, 0.0, 3.35415959358215, 0.0, 2.88884544372559, -8.63958412082866e-05, 0.232307806611061, 2.6792049407959, 0.0, 4.83966255187988, 0.0, 3.0, 1.46274888515472, 0.0, 0.0, 1.0, 1.04373681545258, 0.0, 0.0, 0.0, 0.0, 0.196418553590775, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 851.010009765625, 0.0680413842201233, 0.0, 0.137754127383232, 95.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 3.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 150.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.175366476178169, 0.0, 0.0, 0.0, 1.65096366405487, 4.0, 0.0, 0.0, 6.83080291748047, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 11.7744693756104, 0.0, 11.3320922851562, 52.0, 642.672729492188, 0.0, 4.0, 0.0, 0.0, 7.87793493270874, 0.0, 15.6641836166382, 0.0, 708.489624023438, 0.0, 0.0, 4.78990936279297, 14.9962759017944, 0.0, 0.863500475883484, 0.0, 915.533935546875, 0.0, 0.0, 4.39344358444214, 0.0, 11.3283681869507, 0.0, , 795.748779296875, 2.98719000816345, 0.0, 0.179115906357765, 469.149505615234, 2.15188241004944, 0.0, 3.0, 0.0, 0.0, 0.0, 1.3444105386734, 1.0, 0.0, 0.0, 0.0, 0.915320217609406, 0.0, 0.0, 0.174703046679497, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H8O3%2Fc1-11-8-4-6%285-9%292-3-7%288%2910%2Fh2-5%2C10H%2C1H3, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 1.51372230052948 1.51372230052948, 0.392601042985916 0.392601042985916, , 1.93947446346283 1.93947446346283, 0.415612012147903 0.415612012147903, , 2.29637384414673 2.29637384414673, , 0.0, 0.0, 0.392622888088226 0.392622888088226, 0.0, 0.0, 14.0, 8.26758480072021, 0.0, , 0.390182554721832, 9.09090900421143, 5.27438688278198, 0.0, , -0.155402511358261, , 0.0, 4.13265323638916, , 4.45943164825439, -0.0736911967396736, 0.606493055820465, 0.0, , 2.21453285217285, 4.23293828964233, , 0.0, 0.0, 0.106002047657967, 0.0, , , 3.57280492782593, , 0.961124539375305, -0.12760517001152, 0.117851130664349, 2.45243382453918, 0.0, 1.04004192352295, 0.0, 0.0, 1.80933880805969, 0.0, 0.0, 1.0, 0.996030151844025, , , 0.0, , 0.336787670850754, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 251.029998779297, 0.0240562614053488, 0.0, 0.0344681032001972, 101.0, , 0.0, , , 46.5299987792969, 1.0, 1.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 154.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.164266422390938, , , , 2.94168281555176, 5.0, , , 7.06555128097534, , , , 0.0, , 0.0, , 13.3234071731567, , 12.3283681869507, 50.0, 477.889282226562, 0.0, 0.0, , 0.0, 6.07311105728149, , 15.6604595184326, 0.16666667163372, 527.120422363281, , 0.0, 3.09839057922363, 16.7670211791992, , 0.219700336456299, 0.516397774219513, 665.341796875, , 0.0, 2.04913735389709, , 10.9925518035889, 0.0, , 586.152709960938, 1.33986151218414, , 0.0152145158499479, 319.019897460938, 0.767520546913147, , 1.0, , 0.0, 0.0, 0.462006390094757, , 0.0, , , 0.165331438183784, 0.0, , 0.0492044426500797, 1.0, , 0.0, 
-InChI%3D1S%2FC6H12O3%2Fc1-6%282%298-4-5%283-7%299-6%2Fh5%2C7H%2C3-4H2%2C1-2H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 1.54687643051147 1.54687643051147, 0.636007606983185 0.636007606983185, 0.0, 2.2376537322998 2.2376537322998, 0.867092430591583 0.867092430591583, 0.0, 2.13304567337036 2.13304567337036, 0.0, 0.0, 0.0, 0.67043524980545 0.67043524980545, 0.0, 0.5, 8.0, 6.90577745437622, 0.0, 0.0, 0.420150250196457, 7.11111116409302, 4.13895845413208, 0.0, 0.0, -0.195658296346664, 0.0, 0.0, 2.31952667236328, 0.0, 4.16992521286011, -0.0923705324530602, 1.4112309217453, 0.0, 0.0, 1.70414197444916, 4.18128633499146, 0.0, 0.0, 0.5, 0.0467287972569466, 0.25, 0.0, 0.0, 2.64797377586365, 0.0, 1.15470051765442, 0.0581593587994576, 0.0, 1.92892158031464, 0.0, 0.666666686534882, 0.0, 2.0, 1.24950933456421, 0.0, 2.0, 0.666666686534882, 0.348461717367172, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0340206921100616, 0.0, 1.0, 369.029998779297, 0.0920976400375366, 0.0, 0.0928914994001389, 68.0, 0.0, 0.0, 0.0, 0.0, 38.689998626709, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 85.0, 0.102062076330185, 0.0, 0.27629292011261, 0.0, 0.31856843829155, 0.0, 0.0, 0.0, 0.5, 2.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, , 0.816496610641479, 2.0, 11.3234071731567, 0.0, 10.6604595184326, 44.0, 346.618194580078, 0.0, 1.0, 0.0, 0.0, 5.75527381896973, 0.0, 16.4312057495117, 0.0, 380.430389404297, 0.0, 0.0, 3.06535005569458, 9.43865299224854, 0.0, 0.692766070365906, 0.577350258827209, 513.974914550781, 0.0, 0.0, 2.63326787948608, 0.0, 5.10656118392944, 0.0833333358168602, , 287.407836914062, 1.27094304561615, 0.0, 0.0, 122.736022949219, 0.853022158145905, 0.0, 2.0, 0.0, 0.0, 0.0, 0.418148845434189, 1.0, 0.0, 0.0, 0.0, 0.0742212012410164, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H12N2%2Fc1-5-4-6-2-3-7-5%2Fh5-7H%2C2-4H2%2C1H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.246399641036987 0.246399641036987, 0.0, 0.433012694120407 0.433012694120407, 0.246399641036987 0.246399641036987, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0, 0.0, 0.20412415266037 0.20412415266037, 0.0, 0.0, 5.0, 5.11288404464722, 0.0, 0.0, 0.136016860604286, 5.14285707473755, 3.3938467502594, 0.0, 0.0, -0.0657647103071213, 0.0, 0.0, 2.34375, 0.0, 3.80735492706299, -0.0698919892311096, 0.288675129413605, 0.0, 0.0, 1.5, 2.74318218231201, 0.0, 0.0, 0.0, 0.0654624551534653, 0.0, 0.0, 0.0, 1.89384686946869, 0.0, 1.04004192352295, 0.00218581408262253, 0.0, 1.30671286582947, 0.0, 1.0, 0.0, 3.0, 0.901047587394714, 0.0, 0.0, 0.333333343267441, 0.20412415266037, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 319.019989013672, 0.0510310381650925, 0.0, 0.0510310381650925, 45.0, 0.0, 0.0, 0.0, 0.0, 24.0599994659424, 0.0, 0.0, 0.25, 0.0, 0.333333343267441, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 42.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.102062076330185, 0.0, 0.0, 0.0, 1.65096366405487, 1.0, 0.0, 0.0, 1.65096366405487, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.71997594833374, 0.0, 7.66474103927612, 30.0, 311.625305175781, 0.0, 1.0, 0.0, 0.0, 4.69867038726807, 0.0, 8.83092594146729, 0.0, 321.555725097656, 0.0, 0.0, 2.83493375778198, 5.52617311477661, 0.0, 0.20412415266037, 0.0, 356.160491943359, 0.0, 0.0, 2.05929589271545, 0.0, 1.0, 0.0, , 213.625366210938, 1.24509978294373, 0.0, 0.0, 36.9691848754883, 0.797693967819214, 0.0, 1.0, 0.0, 0.0, 0.0, 0.48041707277298, 0.0, 0.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H20O%2Fc1-10-6-5-9-13%283%2C4%2912%2810%298-7-11%282%2914%2Fh7-8H%2C5-6%2C9H2%2C1-4H3, 4.0, 1.31037068367004, 0.0, 0.0, 0.0, 0.0, 1.5, 0.0, 2.77725625038147 2.77725625038147, 1.89396524429321 1.89396524429321, 0.0, 4.19459772109985 4.19459772109985, 2.82041382789612 2.82041382789612, 0.0, 4.70335006713867 4.70335006713867, 0.0, 0.0, 0.0, 2.93214631080627 2.93214631080627, 0.0, 0.0, 19.0, 10.7675848007202, 0.0, 0.0, 0.128190889954567, 12.0714282989502, 6.43235731124878, 0.0, 0.0, -0.0316778309643269, 0.0, 3.0, 4.67999982833862, 0.0, 4.80735492706299, -0.0346379764378071, 1.81227850914001, 0.0, 0.0, 3.27272725105286, 6.43578386306763, 0.0, 0.0, 1.3747296333313, -0.00588914006948471, 0.20412415266037, 0.0, 0.0, 4.22625827789307, 0.0, 5.93121337890625, 0.00429035071283579, 0.367851138114929, 3.22459936141968, 0.0, 4.37765836715698, 0.0833333358168602, 3.0, 1.96971929073334, 0.0, 2.03253102302551, 0.75, 1.6204639673233, 0.0, 0.0, 0.0, 1.0, 0.426967412233353, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 974.010009765625, 0.0441941730678082, 0.0, 0.158098042011261, 153.0, 0.0, 2.0, 0.0, 0.0, 17.0699996948242, 2.0, 0.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 301.0, 0.0, 0.0, 0.0589255653321743, 3.0, 0.218443363904953, 0.0, 0.0, 0.0, 4.20685720443726, 3.0, 0.0, 0.0, 6.53404712677002, 0.0, 0.0, 0.0, 0.0, , 2.44179677963257, 0.0, 14.7744693756104, 0.0, 14.3320922851562, 68.0, 953.084106445312, 0.0, 0.0, 0.0, 0.0, 9.68426895141602, 0.0, 20.6641845703125, 0.0, 1072.49426269531, 0.0, 0.0, 5.32191467285156, 19.3320922851562, 0.0, 1.32390344142914, 0.0, 1463.72277832031, 0.0, 0.0, 4.87542581558228, 0.0, 15.3320922851562, 0.176776692271233, , 1352.49011230469, 3.027174949646, 0.0, 0.225261896848679, 930.196899414062, 2.21103620529175, 0.0, 4.0, 0.0, 0.0510310381650925, 0.0, 1.20450508594513, 0.0, 0.0, 0.0, 0.0, 0.852577865123749, 0.0, 0.0, 0.194149136543274, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.5 4.5, 6.56038331985474 6.56038331985474, 0.0, 1.5 1.5, 2.47959184646606 2.47959184646606, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 9.0, 7.0, 0.0, 0.0, 0.292480915784836, 8.0, 3.25, 0.0, 0.0, -0.109680347144604, 0.0, 0.0, 1.75, 0.0, 4.0, -0.146240457892418, 2.5, 0.0, 0.0, 2.22222232818604, 4.5, 0.0, 0.0, 0.0, 0.109680347144604, 0.5, 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 7.05999994277954, 0.0, 0.0, 0.0, 34.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 58.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 54.2765197753906, 0.0, 18.7104244232178, 38.0, 708.911071777344, 0.0, 0.0, 0.0, 0.0, 7.80336046218872, 0.0, 69.986946105957, 0.0, 771.783020019531, 0.0, 0.0, 3.65168023109436, 78.4147796630859, 0.0, 3.38643431663513, 0.0, 998.993408203125, 0.0, 0.0, 5.55798292160034, 0.0, 0.0, 0.728931486606598, , 581.665893554688, 2.89285707473755, 0.0, 3.7193877696991, 0.0, 0.0, 0.0, 0.0, 0.0, 2.81159281730652, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC16H27N%2Fc1-2-3-4-5-6-7-8-9-10-15-11-13-16%2817%2914-12-15%2Fh11-14H%2C2-10%2C17H2%2C1H3, 1.0, 0.333333343267441, , , , , 0.0, 2.0, 0.841260969638824 0.841260969638824, 0.33052721619606 0.33052721619606, , 0.95495480298996 0.95495480298996, 0.35010626912117 0.35010626912117, , 1.23672640323639 1.23672640323639, , 0.0, 0.0, 0.379105448722839 0.379105448722839, 0.0, 0.0, 17.0, 12.3470888137817, 0.0, , 0.0269772820174694, 15.0588235855103, 8.32569885253906, 0.0, , -0.0086592398583889, , 0.0, 9.97229957580566, , 5.08746290206909, -0.00447222637012601, 0.492799282073975, 0.0, , 7.84000015258789, 6.38944673538208, , 0.0, 0.0, -0.000343370455084369, 0.0, , , 4.60135412216187, , 2.29101085662842, -1.36019343699445e-05, 0.0, 3.1846866607666, 0.0, 0.175411596894264, 0.0, 9.0, 2.49182486534119, 0.0, 0.0, 1.0, 1.43789565563202, , , 0.0, 0.0, 0.836394667625427, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1664.01000976562, 0.0277777779847383, 0.0, 0.0356793627142906, 363.0, , 0.0, , , 26.0200004577637, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 722.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , 0.0, 0.0, 20.674201965332, 14.0, 0.0, , 7.09404230117798, , 0.0, , 0.0, , 0.0, 0.0, 17.3599872589111, , 17.1661853790283, 72.0, 937.443603515625, 0.0, 0.0, 0.0, 0.0, 11.2507123947144, , 19.3323707580566, 0.0, 972.696838378906, , 1.0, 7.17070245742798, 17.3323707580566, , 0.214076176285744, 0.0, 1084.75, , 0.0, 4.96645545959473, , 13.1661853790283, 0.0, , 966.244750976562, 3.29872441291809, , 0.0, 743.310241699219, 2.14731168746948, , 1.0, , 0.0, 0.0, 1.46899211406708, 0.0, 0.0, , , 0.864569783210754, 0.0, , 0.526162683963776, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H3Cl3%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 1.47827804088593 1.47827804088593, 0.940058887004852 0.940058887004852, , 1.55802857875824 1.55802857875824, 0.854308247566223 0.854308247566223, , 2.07593297958374 2.07593297958374, , 0.0, 0.0, 1.04668736457825 1.04668736457825, 0.0, 0.0, 10.0, 6.85337114334106, 0.0, , 0.130278706550598, 7.11111116409302, 4.19837713241577, 0.0, , -0.0240906346589327, , 0.0, 2.72222232818604, , 4.16992521286011, -0.0340112745761871, 0.760079681873322, 0.0, , 1.70414197444916, 3.87279200553894, , 0.0, 0.0, -0.015189565718174, 0.0, , , 2.86036610603333, , 0.0, -0.017867797985673, 0.16666667163372, 1.81676292419434, 0.0, 0.0, 0.0, 0.0, 1.33160018920898, 0.0, 0.0, 0.666666686534882, 0.504473328590393, , , 0.0, 0.0, 0.0680413842201233, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 72.0299987792969, 0.0240562614053488, 0.0, 0.0818317085504532, 67.0, , 0.0, , , 0.0, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 84.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.20412415266037, , 0.0, 0.0, 1.65096366405487, 6.0, , , 5.85380077362061, , 0.0, , 0.0, , 0.0, 0.0, 32.1382598876953, , 14.8552122116089, 42.0, 593.140625, 0.0, 0.0, 0.0, 0.0, 6.6337308883667, , 23.7104244232178, 0.0, 647.274169921875, , 0.0, 3.43887400627136, 29.4231777191162, , 0.516309082508087, 0.0, 804.811279296875, , 0.0, 2.8092668056488, , 17.5679664611816, 0.0, , 608.571533203125, 1.85577392578125, , 0.107142858207226, 211.006469726562, 0.99654233455658, , 0.0, , 0.0, 0.0, 0.642360031604767, 0.0, 0.0, , , 0.21723484992981, 0.0, , 0.0309294778853655, 0.0, 0.0, 0.0, 
-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, 2.0, 8.66441917419434, 0.0, 0.0, 0.0, 0.0, 3.26598644256592, 8.0, 6.18225860595703 6.18225860595703, 3.06810331344604 3.06810331344604, , 7.75148296356201 7.75148296356201, 3.64101243019104 3.64101243019104, , 11.509015083313 11.509015083313, 0.0, 0.0, 0.0, 4.91846036911011 4.91846036911011, 0.0, 0.0, 38.0, 15.947229385376, 0.0, 0.0, 0.359791100025177, 17.3553714752197, 9.64077186584473, 0.0, 0.0, -0.0498427376151085, 0.0, 0.0, 6.24567461013794, 0.0, 5.39231729507446, -0.202001109719276, 2.52706789970398, 0.0, 0.0, 3.34710741043091, 9.78539180755615, , 0.0, 0.5, 0.0401734858751297, 0.16666667163372, , 0.0, 8.3198823928833, 0.0, 2.66666674613953, 0.0372894555330276, 1.16633951663971, 5.5161771774292, 0.0, 4.49873065948486, 0.16666667163372, 0.0, 4.48137760162354, 0.0, 2.0, 1.0, 2.95205354690552, 0.0, , 0.0, 0.0, 1.61463057994843, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 736.059997558594, 0.0416666679084301, 0.0, 0.133958354592323, 330.0, 0.0, 0.0, , , 40.4599990844727, 0.0, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, , 0.0, 876.0, 0.0, 0.0, 0.111111111938953, 0.0, 0.388888895511627, , 0.0, 0.0, 1.88988161087036, 10.0, 0.0, 0.0, 11.9187173843384, 4.0, 0.0, , 0.0, , 2.0, 0.0, 53.3999519348145, 0.0, 30.471134185791, 112.0, 1764.46069335938, 0.0, 0.0, 0.0, 0.0, 14.2394018173218, 0.0, 50.942268371582, 0.100000001490116, 2087.84399414062, , 0.0, 7.52440166473389, 66.6702117919922, , 1.6831237077713, 0.0, 3035.49829101562, 0.0, 0.0, 6.83079862594604, 0.0, 61.7035903930664, 0.125, , 3172.05639648438, 4.62962627410889, , 0.4797183573246, 2563.7197265625, 2.99350905418396, 0.0, 2.0, , 0.0833333358168602, 0.0, 2.1597273349762, 2.0, 0.0, 0.0, 0.0, 1.11266982555389, 0.0, , 0.566095888614655, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H5F4N%2Fc8-6-2-1-4%2812%293-5%286%297%289%2C10%2911%2Fh1-3H%2C12H2, 1.0, 1.65096366405487, , , , , 1.65096366405487, 3.0, 2.55712699890137 2.55712699890137, 0.496229767799377 0.496229767799377, , 3.83925700187683 3.83925700187683, 0.515963613986969 0.515963613986969, , 5.20578670501709 5.20578670501709, , 0.0, 0.0, 0.51448118686676 0.51448118686676, 0.0, 0.0, 16.0, 9.35337162017822, 0.0, , 0.377680867910385, 10.0833330154419, 5.40970230102539, 0.0, , -0.166479095816612, , 0.0, 3.3950617313385, , 4.58496236801147, 0.0836170017719269, 2.00825381278992, 0.0, , 2.49307489395142, 5.86802673339844, , 0.0, 0.0, -0.160611912608147, 0.288675129413605, , , 3.57036972045898, , 0.0, -0.0338882319629192, 0.436886727809906, 2.73935198783875, 0.0, 0.0, 0.117851130664349, 0.0, 2.07811546325684, 0.0, 0.0, 0.666666686534882, 0.709433674812317, , , 0.0, , 0.382482409477234, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 1.0, 157.050003051758, 0.0240562614053488, 0.0, 0.0350094325840473, 98.0, , 0.0, , , 26.0200004577637, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 183.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.170103460550308, , , 0.0, 1.65096366405487, 5.0, , , 5.85380077362061, , , , 0.0, , 1.04004192352295, , 18.3681640625, , 14.4933252334595, 60.0, 425.601318359375, 0.0, 0.0, , 0.0, 5.82125902175903, , 25.747428894043, 0.0, 480.899688720703, , 1.0, 3.03263783454895, 21.5684356689453, , 0.357088625431061, 0.0, 642.834838867188, , 0.0, 2.23704266548157, , 21.9109992980957, 0.0134987309575081, , 545.423889160156, 1.29581725597382, , 0.0466779991984367, 333.564880371094, 0.760125875473022, , 0.0, , 0.00389674794860184, 0.0, 0.446943044662476, , 0.0, , , 0.132947012782097, 0.0, , 0.0454620607197285, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H5F4N%2Fc8-4-1-2-6%2812%295%283-4%297%289%2C10%2911%2Fh1-3H%2C12H2, 1.0, 1.65096366405487, , , , , 1.65096366405487, 3.0, 2.55712699890137 2.55712699890137, 0.522438228130341 0.522438228130341, , 3.83925700187683 3.83925700187683, 0.557991981506348 0.557991981506348, , 5.20578670501709 5.20578670501709, , 0.0, 0.0, 0.527409732341766 0.527409732341766, 0.0, 0.0, 16.0, 9.35337162017822, 0.0, , 0.373515367507935, 10.0833330154419, 5.40970230102539, 0.0, , -0.175306901335716, , 0.0, 3.3950617313385, , 4.58496236801147, 0.0826151967048645, 2.00825381278992, 0.0, , 2.49307489395142, 5.86802673339844, , 0.0, 0.0, -0.077116921544075, 0.288675129413605, , , 3.57036972045898, , 0.0, -0.151220262050629, 0.436886727809906, 2.73935198783875, 0.0, 0.0, 0.117851130664349, 0.0, 2.07811546325684, 0.0, 0.0, 0.666666686534882, 0.709433674812317, , , 0.0, , 0.382482409477234, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 1.0, 157.050003051758, 0.0240562614053488, 0.0, 0.0350094325840473, 98.0, , 0.0, , , 26.0200004577637, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 183.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.170103460550308, , , 0.0, 1.65096366405487, 5.0, , , 5.85380077362061, , , , 0.0, , 1.04004192352295, , 18.3681640625, , 14.4933252334595, 60.0, 430.265991210938, 0.0, 0.0, , 0.0, 5.82125902175903, , 25.747428894043, 0.0, 487.8076171875, , 1.0, 3.03263783454895, 21.1528358459473, , 0.352636516094208, 0.0, 656.061096191406, , 0.0, 2.22933149337769, , 20.3544292449951, 0.0134987309575081, , 561.957397460938, 1.32074058055878, , 0.0549857392907143, 336.720397949219, 0.773996710777283, , 0.0, , 0.00389674794860184, 0.0, 0.431912183761597, , 0.0, , , 0.128793135285378, 0.0, , 0.0431502535939217, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H4F3NO3%2Fc8-7%289%2C10%295-3-4%2812%291-2-6%285%2911%2813%2914%2Fh1-3%2C12H, 1.0, 1.65096366405487, , , , , 1.65096366405487, 3.0, 3.01694202423096 3.01694202423096, 0.587254524230957 0.587254524230957, , 4.18998670578003 4.18998670578003, 0.663491129875183 0.663491129875183, , 6.80650806427002 6.80650806427002, , 0.0, 0.0, 0.681526958942413 0.681526958942413, 0.0, 0.0, 20.0, 10.930721282959, 0.0, , 0.406477302312851, 12.0714282989502, 6.32038593292236, 0.0, , -0.143035486340523, , 0.0, 4.24489784240723, , 4.80735492706299, 0.112565957009792, 2.24196767807007, 0.0, , 2.99432897567749, 6.79861450195312, , 0.0, 0.0, -0.0682803615927696, 0.288675129413605, , , 4.13460493087769, , 0.0, -0.347396463155746, 0.537748694419861, 3.19801902770996, 0.0, 0.0, 0.117851130664349, 0.0, 2.78661441802979, 0.0, 0.0, 1.0, 1.2486971616745, , , 0.0, , 0.525238394737244, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 1.0, 142.070007324219, 0.0240562614053488, 0.0, 0.0335447043180466, 126.0, , 0.0, , , 66.0500030517578, 0.0, 1.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 279.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.141345784068108, , , , 1.65096366405487, 5.0, , , 5.85380077362061, , , , 0.0, , 1.04004192352295, , 21.1895275115967, , 17.350564956665, 70.0, 487.724243164062, 0.0, 0.0, , 0.0, 6.57686805725098, , 29.686695098877, 0.721124768257141, 563.487915039062, , 0.0, 3.36734247207642, 25.981819152832, , 0.382662236690521, 0.0, 772.481567382812, , 0.0, 2.45632076263428, , 27.8475952148438, 0.0134987309575081, , 713.579223632812, 1.48223352432251, , 0.0603216663002968, 511.052795410156, 0.910287320613861, , 0.0, , 0.00389674794860184, 0.0, 0.5373694896698, , 0.0, , , 0.185482487082481, 0.0, , 0.0607890188694, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 4.24264049530029, 0.0, 0.0, 0.0639998093247414, 4.16666650772095, 3.0, 0.0, 0.0, -0.0352250933647156, 0.0, 0.0, 2.22222232818604, 0.0, 3.58496260643005, 0.000525138864759356, 0.0, 0.0, 0.0, 1.33333337306976, 2.12132024765015, 0.0, 0.0, 0.0, 0.00270005012862384, 0.0, 0.0, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 91.0100021362305, 0.0286887660622597, 0.0, 0.0, 36.0, 0.0, 0.0, 0.0, 0.0, 12.8900003433228, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.0, 0.0, 0.0, 0.125, 0.0, 0.0, 0.0, 1.0, 0.0, 6.08364343643188, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 6.35998821258545, 0.0, 6.33237028121948, 24.0, 214.527816772461, 0.0, 0.0, 0.0, 0.0, 3.33396482467651, 0.0, 6.33237028121948, 0.0, 214.456436157227, 0.0, 0.0, 1.84973108768463, 3.16618514060974, 0.0, 0.0, 0.0, 214.338394165039, 0.0, 0.0, 1.02456390857697, 0.0, 0.0, 0.0, , 107.139686584473, 0.566487431526184, 0.0, 0.0, 0.0, 0.312602013349533, 0.0, 0.0, 0.0, 0.0, 0.0, 0.172132596373558, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H5NO3%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4%2C8H, 0.0, 1.0, , , , , 0.0, 2.0, 1.49826681613922 1.49826681613922, 0.299661338329315 0.299661338329315, , 2.17455840110779 2.17455840110779, 0.301945507526398 0.301945507526398, , 2.13370633125305 2.13370633125305, , 0.0, 0.0, 0.235652387142181 0.235652387142181, 0.0, 0.0, 12.0, 7.56047773361206, 0.0, , 0.158273980021477, 8.10000038146973, 4.71521425247192, 0.0, , 0.00628289626911283, , 0.0, 3.40828394889832, , 4.32192802429199, -0.0645871832966805, 0.705118358135223, 0.0, , 1.99111115932465, 4.16961240768433, , 0.0, 0.0, -0.0679580122232437, 0.0, , , 3.03412985801697, , 0.0, 0.0478783808648586, 0.232307806611061, 2.33534574508667, 0.0, 0.0, 0.0, 0.0, 1.34171581268311, 0.0, 0.0, 0.666666686534882, 0.565641164779663, , , 0.0, , 0.240562617778778, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 135.039993286133, 0.0277777779847383, 0.0, 0.0248451996594667, 76.0, , 0.0, , , 66.0500030517578, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 114.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, , , , 3.96540641784668, 6.0, , , 4.29827976226807, , , , 0.0, , 0.0, , 12.6833953857422, , 11.6052093505859, 46.0, 369.583862304688, 0.0, 0.0, , 0.0, 5.02032470703125, , 15.4352073669434, 0.944940805435181, 406.441741943359, , 0.0, 2.6397123336792, 14.8783884048462, , 0.166367247700691, 0.0, 503.678497314453, , 0.0, 1.74582409858704, , 11.3755836486816, 0.0, , 411.869232177734, 1.07842814922333, , 0.0274249538779259, 197.748870849609, 0.618550598621368, , 0.0, , 0.0, 0.0, 0.324955672025681, , 0.0, , , 0.0875446274876595, 0.0, , 0.0258415769785643, 0.0, , 0.0, 
-InChI%3D1S%2FC10H22S2%2Fc1-3-7-11-9-5-6-10-12-8-4-2%2Fh3-10H2%2C1-2H3, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 9.0, 9.07106781005859, 0.0, 0.0, 0.0531855337321758, 12.0, 5.91421365737915, 0.0, 0.0, -0.029333308339119, 0.0, 0.0, 11.0, 0.0, 4.58496236801147, 0.00139558664523065, 0.0, 0.0, 0.0, 11.1111106872559, 3.82842707633972, 0.0, 0.0, 0.0909090936183929, 0.0023224176838994, 0.0, 0.0, 0.0, 2.45710682868958, 0.0, 3.60309743881226, -0.0143098924309015, 0.0, 1.56066012382507, 0.0, 0.0, 0.0, 8.0, 0.978553414344788, 0.0, 0.0, 0.833333313465118, 0.603553414344788, 0.0, 0.0, 0.0, 0.0, 0.364276707172394, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 957.02001953125, 0.0, 0.0, 0.0, 182.0, 0.0, 0.0, 0.0, 0.0, 50.5999984741211, 0.0, 0.0, 0.454545468091965, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 286.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.88671493530273, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 24.2555065155029, 0.0, 17.6791400909424, 42.0, 812.207763671875, 0.0, 0.0, 0.0, 0.0, 10.1063442230225, 0.0, 16.6791400909424, 0.0, 775.087524414062, 0.0, 0.0, 7.37831497192383, 15.6791410446167, 0.0, 0.0, 0.0, 714.576721191406, 2.0, 0.0, 5.38134145736694, 0.0, 11.3395700454712, 0.0, , 635.462036132812, 4.07282114028931, 0.0, 0.0, 555.460754394531, 2.70314264297485, 0.0, 2.0, 0.0, 0.0, 0.0, 1.85339784622192, 0.0, 0.0, 0.0, 0.0, 1.2695289850235, 0.0, 0.0, 0.868686199188232, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H13NO2%2Fc8-4-1-7-2-5-9-6-3-7%2Fh8H%2C1-6H2, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.433012694120407 0.433012694120407, 0.335410207509995 0.335410207509995, 0.0, 0.654647946357727 0.654647946357727, 0.378457903862 0.378457903862, 0.0, 0.637136876583099 0.637136876583099, 0.0, 0.0, 0.0, 0.264359831809998 0.264359831809998, 0.0, 0.0, 8.0, 6.52709770202637, 0.0, 0.0, 0.366603791713715, 7.11111116409302, 4.43185186386108, 0.0, 0.0, -0.185292974114418, 0.0, 0.0, 3.92000007629395, 0.0, 4.16992521286011, -0.176175087690353, 0.20412415266037, 0.0, 0.0, 2.38016533851624, 3.29271101951599, 0.0, 0.0, 0.0, 0.261632174253464, 0.0, 0.0, 0.0, 2.42166829109192, 0.0, 0.0, -0.0204705260694027, 0.0, 1.88406312465668, 0.0, 0.0, 0.0, 6.0, 1.30929589271545, 0.0, 0.0, 1.0, 0.492799282073975, 0.0, 0.0, 0.0, 0.0, 0.246399641036987, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 412.029998779297, 0.0456435456871986, 0.0, 0.0322748608887196, 81.0, 0.0, 0.0, 0.0, 0.0, 32.7000007629395, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 94.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, 0.0, 0.0, 0.0, 6.67872285842896, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 1.0, 10.9089260101318, 0.0, 10.4948320388794, 38.0, 370.242767333984, 0.0, 0.0, 0.0, 0.0, 5.54531621932983, 0.0, 11.4948320388794, 0.0, 389.223419189453, 0.0, 0.0, 3.34226131439209, 9.10693168640137, 0.0, 0.15811388194561, 0.16666667163372, 438.845947265625, 0.0, 0.0, 2.17761993408203, 0.0, 5.99627590179443, 0.0, , 332.861877441406, 1.51993262767792, 0.0, 0.0, 168.480224609375, 0.966191947460175, 0.0, 0.0, 0.0, 0.0, 0.0, 0.556435465812683, 1.0, 0.0, 0.0, 0.0, 0.169924274086952, 0.0, 0.0, 0.0745110586285591, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H8N4%2Fc1-3-4%282%298-9-5%286%297-3%2Fh1-2H3%2C%28H2%2C6%2C7%2C9%29, 2.0, 1.65096366405487, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.47827804088593 1.47827804088593, 0.734001040458679 0.734001040458679, 0.0, 1.55802857875824 1.55802857875824, 0.551335453987122 0.551335453987122, 0.0, 2.07593297958374 2.07593297958374, 0.0, 0.0, 0.0, 0.556917726993561 0.556917726993561, 1.31037068367004, 0.0, 10.0, 6.85337114334106, 0.0, 0.0, 0.134244427084923, 7.11111116409302, 4.19837713241577, 0.0, 0.0, -0.0848964154720306, 0.0, 1.0, 2.72222232818604, 0.0, 4.16992521286011, -0.00606157071888447, 0.760079681873322, 0.0, 0.0, 1.70414197444916, 3.87279200553894, 0.0, 0.0, 0.333333343267441, 0.0382755063474178, 0.0, 0.0, 0.0, 2.86036610603333, 0.0, 0.0, -0.0118374163284898, 0.16666667163372, 1.81676292419434, 0.0, 3.14734530448914, 0.0, 0.0, 1.33160018920898, 0.0, 0.0, 0.666666686534882, 0.504473328590393, 0.0, 0.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 369.040008544922, 0.020833333954215, 0.0, 0.0520833320915699, 67.0, 0.0, 0.0, 0.0, 0.0, 59.939998626709, 0.0, 0.0, 0.400000005960464, 0.0, 1.65096366405487, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 84.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.20412415266037, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 10.4399518966675, 0.0, 10.1909141540527, 42.0, 452.586364746094, 0.0, 2.0, 0.0, 0.0, 5.654700756073, 0.0, 14.077075958252, 0.0, 490.183990478516, 0.0, 0.0, 3.06538414955139, 11.5509023666382, 0.0, 0.395833343267441, 0.0, 615.891174316406, 0.0, 0.0, 2.36602544784546, 0.0, 4.4985556602478, 0.0, , 470.142120361328, 1.54684817790985, 0.0, 0.0833333358168602, 162.253005981445, 0.699759542942047, 0.0, 2.0, 0.0, 0.0, 0.0, 0.399919837713242, 0.0, 0.0, 0.0, 0.0, 0.125, 0.0, 0.0, 0.020833333954215, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H8N2O%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H2%2C9%2C10%29, 0.0, 2.38110160827637, , , , , 0.0, 2.0, 1.49826681613922 1.49826681613922, 0.391476660966873 0.391476660966873, , 2.17455840110779 2.17455840110779, 0.412392318248749 0.412392318248749, , 2.13370633125305 2.13370633125305, , 0.0, 0.25, 0.323749840259552 0.323749840259552, 0.0, 0.0, 12.0, 7.56047773361206, 0.0, , 0.12496292591095, 8.10000038146973, 4.71521425247192, 0.0, , -0.0458364821970463, , 1.0, 3.40828394889832, , 4.32192802429199, 0.0075347600504756, 0.705118358135223, , , 1.99111115932465, 4.16961240768433, , 0.0, 0.0, -0.0572878643870354, 0.0, , , 3.03412985801697, , 0.0, 0.0335734114050865, 0.232307806611061, 2.33534574508667, 0.0, 0.0, 0.0, 0.0, 1.34171581268311, 0.0, 0.0, 0.666666686534882, 0.565641164779663, , , 0.0, , 0.240562617778778, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 234.029998779297, 0.0277777779847383, 0.0, 0.0299263969063759, 76.0, , 0.0, , , 70.0999984741211, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 114.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, , , , 3.96540641784668, 5.0, , , 5.55315780639648, , , , 0.0, , 0.0, , 11.4944448471069, , 10.6644620895386, 46.0, 490.016387939453, 0.0, 0.0, , 0.0, 5.33396482467651, , 14.3841133117676, 0.0, 536.364807128906, , 1.0, 2.83963227272034, 13.4951105117798, , 0.2114038169384, 0.0, 671.675048828125, , 0.0, 1.93585729598999, , 10.0761938095093, 0.0, , 563.707275390625, 1.21591067314148, , 0.0401936918497086, 292.952880859375, 0.712661445140839, , 0.0, , 0.0, 0.0, 0.363393574953079, , 0.0, , , 0.108950696885586, 0.0, , 0.034330241382122, 1.0, , 0.0, 
-InChI%3D1S%2FC12H10O2%2Fc13-10-6-8-12%289-7-10%2914-11-4-2-1-3-5-11%2Fh1-9%2C13H, 0.0, 0.965489387512207, , , , , 0.0, 3.0, 1.22130084037781 1.22130084037781, 0.311242520809174 0.311242520809174, , 1.62162148952484 1.62162148952484, 0.355018734931946 0.355018734931946, , 2.17115259170532 2.17115259170532, , 0.0, 0.0, 0.372311323881149 0.372311323881149, 0.0, 0.0, 16.0, 9.80311870574951, 0.0, , 0.235175102949142, 10.5155553817749, 6.84333658218384, 0.0, , -0.0888798013329506, , 0.0, 5.18559551239014, , 4.80735492706299, -0.0256509277969599, 0.696923434734344, 0.0, , 3.27272725105286, 5.86563587188721, , 0.0, 0.0, -0.00787150394171476, 0.0, , , 4.52684020996094, , 0.0, -0.0677465125918388, 0.0, 3.45906400680542, 0.0, 0.0, 0.0, 0.0, 2.92398381233215, 0.0, 0.0, 0.800000011920929, 1.44286894798279, , , 0.0, 0.0, 0.949323654174805, 9.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 443.019989013672, 0.0598527938127518, 0.0, 0.0368574000895023, 206.0, , 0.0, , , 29.4599990844727, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 329.0, 0.0, 0.0, 0.185395404696465, 0.0, 0.214427679777145, , 0.0, 0.0, 11.3306121826172, 12.0, , , 10.1704950332642, , 0.0, , 0.0, , 0.0, 1.0, 15.5489377975464, , 15.9962759017944, 68.0, 716.460205078125, 0.0, 0.0, 0.0, 0.0, 7.55161428451538, , 20.9925518035889, 0.0, 793.655700683594, , 0.0, 4.36390590667725, 17.9925518035889, , 0.210618361830711, 0.200000002980232, 992.119689941406, , 0.0, 2.90901565551758, , 11.9962759017944, 0.0, , 841.705444335938, 1.81562829017639, , 0.0, 588.1796875, 1.13879895210266, , 0.0, , 0.0, 0.0, 0.747662782669067, 1.0, 0.0, , , 0.261257171630859, 0.0, , 0.139742210507393, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H8%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3, 1.0, 0.0, , , , , 0.0, 1.0, 0.40824830532074 0.40824830532074, 0.19245009124279 0.19245009124279, , 0.433012694120407 0.433012694120407, 0.16666667163372, , 0.40824830532074 0.40824830532074, , 0.0, 0.0, 0.128300055861473, 0.0, 0.0, 5.0, 5.11288404464722, 0.0, , 0.0, 5.14285707473755, 3.3938467502594, 0.0, , 0.0, , 0.0, 2.34375, , 3.80735492706299, 0.0, 0.288675129413605, , , 1.5, 2.74318218231201, , , 0.0, 0.0, 0.0, , , 1.89384686946869, , 1.85053586959839, 0.0, 0.0, 1.30671286582947, 0.0, 1.0, 0.0, 0.0, 0.901047587394714, 0.0, 0.0, 0.333333343267441, 0.20412415266037, , , 0.0, , 0.0, 5.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 183.0, 0.0320750139653683, 0.0, 0.0320750139653683, 45.0, , 0.0, , , 0.0, 0.0, 1.0, 0.25, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 42.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.102062076330185, , , , 6.08364343643188, 5.0, , , 3.04182171821594, , , , 0.0, , 0.0, , 7.0, , 7.0, 30.0, 310.962677001953, 0.0, 0.0, , 0.0, 4.38675117492676, , 8.0, 0.0, 320.438293457031, , , 2.41068363189697, 5.0, , 0.16666667163372, 0.0, 355.858245849609, , 0.0, 1.65470051765442, , 1.0, 0.0, , 213.793838500977, 0.940455734729767, , 0.0, 36.9196434020996, 0.534377872943878, , 1.0, , 0.0, 0.0, 0.303561210632324, , 0.0, , , 0.0641500279307365, 0.0, , 0.0, 0.0, , 0.0, 
-InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%297%282%295-6%2Fh3-5%2C9H%2C1-2H3, 2.0, 1.65096366405487, , , , , 0.0, 3.0, 1.47827804088593 1.47827804088593, 0.538695514202118 0.538695514202118, , 1.55802857875824 1.55802857875824, 0.553166747093201 0.553166747093201, , 2.07593297958374 2.07593297958374, , 0.0, 0.0, 0.554040491580963 0.554040491580963, 0.0, 0.0, 10.0, 6.85337114334106, 0.0, , 0.0752639174461365, 7.11111116409302, 4.19837713241577, 0.0, , -0.0240341313183308, , 0.0, 2.72222232818604, , 4.16992521286011, -0.0120532419532537, 0.760079681873322, , , 1.70414197444916, 3.87279200553894, , 0.0, 0.25, -0.00151138694491237, 0.0, , , 2.86036610603333, , 2.33481526374817, -3.25954570143949e-05, 0.16666667163372, 1.81676292419434, 0.0, 2.94168281555176, 0.0, 0.0, 1.33160018920898, 0.0, 0.0, 0.666666686534882, 0.504473328590393, , , 0.0, , 0.0680413842201233, 3.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 289.010009765625, 0.0240562614053488, 0.0, 0.0588708110153675, 67.0, , 0.0, , , 20.2299995422363, 0.0, 2.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 84.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.20412415266037, , , , 1.65096366405487, 4.0, , , 5.85380077362061, , , , 0.0, , 0.0, , 9.77446937561035, , 9.33209228515625, 42.0, 439.542633056641, 0.0, 0.0, , 0.0, 5.67926454544067, , 12.6641836166382, 0.0, 475.014129638672, , 0.0, 2.96164059638977, 10.9962759017944, , 0.375553965568542, 0.0, 596.638549804688, , 0.0, 2.28994083404541, , 4.33209180831909, 0.0, , 455.307525634766, 1.35229527950287, , 0.0372678004205227, 163.102615356445, 0.805386602878571, , 2.0, , 0.0, 0.0, 0.427143216133118, , 0.0, , , 0.159408286213875, 0.0, , 0.0107582872733474, 0.0, , 0.0, 
-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, 2.0, 1.65096366405487, , , , , 0.0, 3.0, 1.43631136417389 1.43631136417389, 0.423181384801865 0.423181384801865, , 2.10492348670959 2.10492348670959, 0.515020430088043 0.515020430088043, , 2.62386274337769 2.62386274337769, , 0.0, 0.0, 0.534224450588226 0.534224450588226, 0.0, 0.333333343267441, 21.0, 12.5102252960205, 0.0, , 0.474863916635513, 15.0588235855103, 8.31239128112793, 0.0, , -0.218447789549828, , 0.0, 9.0, , 5.08746290206909, -0.0770831108093262, 0.537457466125488, , , 5.44444465637207, 6.21862268447876, , 0.0, 0.100000001490116, 0.165237843990326, 0.0, , , 5.02865123748779, , 3.5966112613678, -0.202653497457504, 0.0833333358168602, 3.68484449386597, 0.0, 1.23050880432129, 0.0, 5.0, 2.81112456321716, 0.0, 0.0, 1.0, 1.81620156764984, , , 0.0, , 1.08299374580383, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 1097.03002929688, 0.0240562614053488, 0.0, 0.0335307456552982, 303.0, , 0.0, , , 35.5299987792969, 1.0, 1.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 618.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.144337564706802, , , , 10.111554145813, 9.0, , , 8.7603759765625, , , , 0.0, , 0.0, , 19.3234062194824, , 18.6604595184326, 74.0, 841.335021972656, 0.0, 0.0, , 0.0, 10.5696802139282, , 21.9925518035889, 0.0, 905.096130371094, , 0.0, 6.0746898651123, 24.0991134643555, , 0.214076176285744, 0.365148365497589, 1090.64880371094, , 0.0, 3.93726968765259, , 20.6567363739014, 0.0, , 1072.39001464844, 2.57922148704529, , 0.0138888889923692, 856.695251464844, 1.58769059181213, , 2.0, , 0.0, 0.0, 0.991406619548798, , 0.0, , , 0.489290118217468, 0.0, , 0.264237940311432, 1.0, , 0.0, 
-InChI%3D1S%2FC8H7N%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-5H%2C1H3, 1.0, 1.0, , , , , 0.0, 2.0, 1.06903564929962 1.06903564929962, 0.426612436771393 0.426612436771393, , 1.40829122066498 1.40829122066498, 0.401657193899155 0.401657193899155, , 1.30473780632019 1.30473780632019, , 0.0, 0.0, 0.321676075458527 0.321676075458527, 0.0, 0.0, 10.0, 6.69023466110229, 0.0, , 0.0950725525617599, 7.11111116409302, 4.3425350189209, 0.0, , -0.0167440250515938, , 0.0, 3.23966932296753, , 4.16992521286011, -0.0221121329814196, 0.402368932962418, , , 1.70414197444916, 3.43006896972656, , 0.0, 0.0, -0.00775807676836848, 0.0, , , 2.81349611282349, , 1.70639371871948, -0.000901900522876531, 0.117851130664349, 1.99955224990845, 0.0, 1.41421353816986, 0.0, 0.0, 1.20977282524109, 0.0, 0.0, 0.666666686534882, 0.469913214445114, , , 0.0, , 0.176776692271233, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 184.009994506836, 0.0277777779847383, 0.0, 0.0416666679084301, 67.0, , 0.0, , , 23.7900009155273, 0.0, 2.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 86.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , , , 5.08567523956299, 4.0, , , 5.67623996734619, , , , 0.0, , 0.0, , 9.35998821258545, , 9.16618537902832, 40.0, 417.618835449219, 0.0, 0.0, , 0.0, 5.25661468505859, , 11.1661853790283, 0.0, 450.041473388672, , 0.0, 2.8009569644928, 10.3323707580566, , 0.216506347060204, 0.0, 544.014892578125, , 0.0, 1.92672479152679, , 5.4985556602478, 0.0, , 429.316986083984, 1.26551902294159, , 0.0416666679084301, 162.610809326172, 0.69834315776825, , 1.0, , 0.0, 0.0, 0.362319260835648, , 1.0, , , 0.106514222919941, 1.0, , 0.0263114888221025, 0.0, , 0.0, 
-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, 4.0, 2.94168281555176, , , , , 0.0, 2.0, 1.99718797206879 1.99718797206879, 0.470791757106781 0.470791757106781, , 2.58277082443237 2.58277082443237, 0.549710690975189 0.549710690975189, , 3.4168872833252 3.4168872833252, , 0.0, 0.0, 0.591486513614655 0.591486513614655, 0.0, 0.16666667163372, 25.0, 14.7946825027466, 0.0, , 0.533067166805267, 18.0499992370605, 9.6850700378418, 0.0, , -0.335376560688019, , 2.0, 10.6875, , 5.32192802429199, 0.148624777793884, 0.804737865924835, 0.0, , 7.02551031112671, 7.632896900177, , 0.0, 0.0714285746216774, -0.0223286151885986, 0.0, , , 5.89084339141846, , 3.50760173797607, -0.0225588083267212, 0.235702261328697, 4.20448064804077, 0.0, 1.17348229885101, 0.0, 6.0, 3.15141296386719, 0.0, 0.0, 1.0, 2.12307548522949, , , 0.0, 2.0, 1.32686877250671, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1384.0400390625, 0.0277777779847383, 0.0, 0.0277777779847383, 400.0, , 0.0, , , 52.5999984741211, 0.0, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 961.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.0962250456213951, , 0.0, 0.0, 10.2197999954224, 8.0, 0.0, , 11.9879331588745, , 0.0, , 0.0, , 0.0, 2.0, 23.0978755950928, , 21.9925518035889, 88.0, 982.750549316406, 0.0, 0.0, 0.0, 0.0, 12.1850347518921, , 27.5414905548096, 0.16666667163372, 1060.421875, , 0.0, 7.12942743301392, 28.9851036071777, , 0.25, 1.15470051765442, 1283.79650878906, , 0.0, 4.55974960327148, , 26.9851036071777, 0.0, , 1281.34143066406, 2.79607033729553, , 0.0277777779847383, 1136.38024902344, 1.55821263790131, , 2.0, , 0.0, 0.0, 0.951488316059113, 0.0, 0.0, , , 0.520785868167877, 0.0, , 0.289397418498993, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H12O%2Fc7-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.182574182748795 0.182574182748795, 0.0, 0.433012694120407 0.433012694120407, 0.193649172782898 0.193649172782898, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0, 0.0, 0.182574182748795 0.182574182748795, 0.0, 0.0, 5.0, 5.11288404464722, 0.0, 0.0, 0.0754449218511581, 5.14285707473755, 3.3938467502594, 0.0, 0.0, -0.023737970739603, 0.0, 0.0, 2.34375, 0.0, 3.80735492706299, -0.0129378978163004, 0.288675129413605, 0.0, 0.0, 1.5, 2.74318218231201, 0.0, 0.0, 0.0, -0.00100534723605961, 0.0, 0.0, 0.0, 1.89384686946869, 0.0, 0.0, -4.12444060202688e-05, 0.0, 1.30671286582947, 0.0, 0.0, 0.0, 5.0, 0.901047587394714, 0.0, 0.0, 0.333333343267441, 0.20412415266037, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 319.010009765625, 0.102062076330185, 0.0, 0.0456435456871986, 45.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 42.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.102062076330185, 0.0, 0.0, 0.0, 6.08364343643188, 6.0, 0.0, 0.0, 3.04182171821594, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.77446889877319, 0.0, 7.33209180831909, 30.0, 296.036651611328, 0.0, 1.0, 0.0, 0.0, 4.56009769439697, 0.0, 8.66418361663818, 0.0, 306.966735839844, 0.0, 0.0, 3.0746955871582, 5.66418409347534, 0.0, 0.129099443554878, 0.0, 337.466003417969, 0.0, 0.0, 2.29183387756348, 0.0, 1.33209192752838, 0.0, , 199.294494628906, 1.57469546794891, 0.0, 0.0, 30.8566970825195, 1.0810387134552, 0.0, 0.0, 0.0, 0.0, 0.0, 0.741471886634827, 1.0, 0.0, 0.0, 0.0, 0.0912870913743973, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12O3%2Fc1-3-8-4-5-9-6%282%297%2Fh3-5H2%2C1-2H3, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.0589255653321743 0.0589255653321743, 0.0, 0.20412415266037 0.20412415266037, 0.0416666679084301 0.0416666679084301, 0.0, 0.144337564706802 0.144337564706802, 0.0, 0.0, 0.0, 0.0170103460550308 0.0170103460550308, 0.0, 0.333333343267441, 6.0, 7.11288404464722, 0.0, 0.0, 0.454492509365082, 9.0, 4.27005577087402, 0.0, 0.0, -0.253198981285095, 0.0, 1.0, 6.125, 0.0, 4.16992521286011, -0.0359141528606415, 0.40824830532074, 0.0, 0.0, 8.0, 3.24318218231201, 0.0, 0.0, 0.142857149243355, 0.155779883265495, 0.0, 0.0, 0.0, 1.63502776622772, 0.0, 1.94416129589081, -0.159043148159981, 0.0, 0.979362547397614, 0.0, 0.816496610641479, 0.0, 3.0, 0.567513883113861, 0.0, 0.0, 0.75, 0.306186228990555, 0.0, 0.0, 0.0, 1.0, 0.20412415266037, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 328.029998779297, 0.0, 0.0, 0.0, 87.0, 0.0, 0.0, 0.0, 0.0, 35.5299987792969, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 114.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.65096366405487, 0.0, 0.0, 0.0, 0.965489387512207, 0.0, 0.0, 0.0, 0.0, , 0.0, 2.0, 11.3234071731567, 0.0, 9.66045951843262, 32.0, 255.379318237305, 0.0, 0.0, 0.0, 0.0, 5.84606504440308, 0.0, 10.434928894043, 0.0, 238.723480224609, 0.0, 0.0, 2.98138046264648, 7.10656118392944, 0.0, 0.0833333358168602, 0.63245552778244, 226.814590454102, 0.0, 0.0, 1.5369668006897, 0.0, 5.99627590179443, 0.0, , 177.748413085938, 0.737120270729065, 0.0, 0.0, 141.299301147461, 0.38865852355957, 0.0, 2.0, 0.0, 0.0, 0.0, 0.147065356373787, 0.0, 0.0, 0.0, 0.0, 0.0709536969661713, 0.0, 0.0, 0.041490912437439, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H7NO%2Fc3-1-2-4%2Fh4H%2C1-3H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 1.0, 3.41421365737915, 0.0, 0.0, 0.127010121941566, 4.0, 1.91421353816986, 0.0, 0.0, -0.0337489172816277, 0.0, 0.0, 3.0, 0.0, 3.0, -0.0580213516950607, 0.0, 0.0, 0.0, 4.0, 1.0, 0.0, 0.0, 0.0, 0.0282652117311954, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 88.0199966430664, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.0, 0.0, 46.25, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.13445711135864, 0.0, 3.49827718734741, 10.0, 81.9915924072266, 0.0, 0.0, 0.0, 0.0, 2.43877744674683, 0.0, 2.49827718734741, 0.0, 65.1293182373047, 0.0, 1.0, 1.22447609901428, 1.55346596240997, 0.0, 0.0, 0.0, 39.5169258117676, 0.0, 0.0, 0.512281954288483, 0.0, 0.0, 0.0, , 15.3223676681519, 0.129099443554878, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H9N%2Fc1-2-3-4%2Fh2-4H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 1.0, 3.41421365737915, 0.0, 0.0, 0.0296333432197571, 4.0, 1.91421353816986, 0.0, 0.0, -0.0120881423354149, 0.0, 0.0, 3.0, 0.0, 3.0, -0.00252103852108121, 0.0, 0.0, 0.0, 4.0, 1.0, 0.0, 0.0, 0.0, -0.000207490578759462, 0.0, 0.0, 0.0, 0.5, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 132.009994506836, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.0, 0.0, 26.0200004577637, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 4.35998821258545, 0.0, 3.16618514060974, 10.0, 106.089729309082, 0.0, 0.0, 0.0, 0.0, 2.99156379699707, 0.0, 2.16618514060974, 0.0, 83.7223052978516, 0.0, 1.0, 1.61535501480103, 1.16618525981903, 0.0, 0.0, 0.0, 51.9660339355469, 0.0, 0.0, 0.788675129413605, 0.0, 0.0, 0.0, , 21.2611293792725, 0.288675129413605, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H9NO2%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3%2C%28H2%2C9%2C10%29, 0.0, 2.38110160827637, , , , , 0.0, 2.0, 1.48758697509766 1.48758697509766, 0.397810816764832 0.397810816764832, , 2.22699189186096 2.22699189186096, 0.473013758659363, , 2.58764219284058 2.58764219284058, , 0.0, 0.0, 0.410413563251495, 0.0, 0.0, 14.0, 8.26758480072021, 0.0, , 0.270350337028503, 9.09090900421143, 5.25321865081787, 0.0, , -0.130517691373825, , 1.0, 4.13265323638916, , 4.45943164825439, 0.00252233794890344, 0.636082768440247, , , 2.21453285217285, 4.36065673828125, , , 0.0, -0.0899475887417793, 0.0, , , 3.34855341911316, , 1.01626551151276, 0.134907275438309, 0.20412415266037, 2.62088251113892, 0.0, 1.04004192352295, 0.0, 0.0, 1.79927670955658, 0.0, 0.0, 0.666666686534882, 0.702221035957336, , , 0.0, , 0.34432190656662, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 290.029998779297, 0.0277777779847383, 0.0, 0.0252291187644005, 89.0, , 0.0, , , 53.310001373291, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 150.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.107038088142872, , , , 3.96540641784668, 5.0, , , 5.55315780639648, , , , 0.0, , 0.0, , 12.9089260101318, , 12.1624612808228, 50.0, 519.834899902344, 0.0, 0.0, , 0.0, 6.16486310958862, , 15.7159271240234, 0.0, 571.609252929688, , , 3.16332960128784, 15.9928302764893, , 0.186996042728424, 0.25, 720.221313476562, , 0.0, 2.04889035224915, , 13.6565818786621, 0.0, , 652.752014160156, 1.3620947599411, , 0.0331477746367455, 406.627838134766, 0.840273797512054, , 1.0, , 0.0, 0.0, 0.467504769563675, , 0.0, , , 0.141878455877304, 0.0, , 0.0546620637178421, 1.0, , 0.0, 
-InChI%3D1S%2FC5H10O%2Fc1-5%282%293-4-6%2Fh4-5H%2C3H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.235702261328697 0.235702261328697, 0.0, 0.288675129413605 0.288675129413605, 0.0962250456213951 0.0962250456213951, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 4.99156379699707, 0.0, 0.0, 0.132057368755341, 6.0, 2.77005553245544, 0.0, 0.0, -0.0442985966801643, 0.0, 0.0, 3.20000004768372, 0.0, 3.58496260643005, -0.0193438325077295, 0.40824830532074, 0.0, 0.0, 5.33333349227905, 2.18252205848694, 0.0, 0.0, 0.5, -0.00210653175599873, 0.0, 0.0, 0.0, 0.866025388240814, 0.0, 1.63299322128296, -0.000279725209111348, 0.0, 0.577350258827209, 0.0, 2.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 195.009994506836, 0.0, 0.0, 0.0, 31.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 1.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 6.77446889877319, 0.0, 5.33209180831909, 20.0, 191.229797363281, 0.0, 1.0, 0.0, 0.0, 4.27005577087402, 0.0, 5.33209180831909, 0.0, 175.201019287109, 0.0, 0.0, 2.20689940452576, 3.33209204673767, 0.0, 0.40824830532074, 0.0, 160.587356567383, 0.0, 0.0, 1.79621577262878, 0.0, 2.66418385505676, 0.0, , 80.716552734375, 0.56762957572937, 0.0, 0.0, 38.0709648132324, 0.19245009124279, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H6Cl2O2%2Fc1-12-8%2811%296-4-5%289%292-3-7%286%2910%2Fh2-4H%2C1H3, 0.0, 3.30192732810974, , , , , 0.0, 3.0, 1.92184162139893 1.92184162139893, 0.77947860956192 0.77947860956192, , 2.66147828102112 2.66147828102112, 0.866591334342957 0.866591334342957, , 3.72749519348145 3.72749519348145, , 0.0, 0.0, 1.11978113651276 1.11978113651276, 0.0, 0.0, 16.0, 9.13782787322998, 0.0, , 0.362339735031128, 10.0833330154419, 5.64706563949585, 0.0, , -0.188664823770523, , 1.0, 4.296875, , 4.58496236801147, 0.104545593261719, 0.896162390708923, 0.0, , 2.49307489395142, 4.94489479064941, , 0.0, 0.0, -0.137934401631355, 0.0, , , 3.89509630203247, , 0.608220219612122, -0.0329020246863365, 0.19245009124279, 2.67215824127197, 0.0, 1.20855021476746, 0.0, 0.0, 2.1304943561554, 0.0, 0.0, 1.0, 0.849589467048645, , , 0.0, , 0.355642169713974, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 192.039993286133, 0.0240562614053488, 0.0, 0.0665826052427292, 110.0, , 0.0, , , 26.2999992370605, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 192.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.175366476178169, , 0.0, 0.0, 1.65096366405487, 5.0, , , 6.6689920425415, , 0.0, , 0.0, , 0.0, , 28.9744453430176, , 16.8997497558594, 56.0, 689.514099121094, 0.0, 0.0, , 0.0, 7.81633424758911, , 25.2456016540527, 0.0, 768.424743652344, , 0.0, 3.93842387199402, 27.4191474914551, , 0.466481119394302, 0.5, 992.730651855469, , 0.0, 2.95938587188721, , 25.0475521087646, 0.0, , 896.427917480469, 1.89840137958527, , 0.0592736899852753, 566.345581054688, 1.13068354129791, , 1.0, , 0.0, 0.0, 0.837095618247986, , 0.0, , , 0.260868519544601, 0.0, , 0.0708944946527481, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.0706992447376251, 5.0, 2.0, 0.0, 0.0, -0.0160443913191557, 0.0, 0.0, 1.0, 0.0, 3.32192802429199, -0.0193052291870117, 2.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 1.5, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 176.009994506836, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.77446889877319, 0.0, 4.33209180831909, 20.0, 154.24462890625, 0.0, 0.0, 0.0, 0.0, 3.94721364974976, 0.0, 6.99627590179443, 0.0, 141.682571411133, 0.0, 0.0, 1.72360682487488, 0.0, 0.0, 1.17082035541534, 0.0, 159.966644287109, 0.0, 0.0, 2.17082047462463, 0.0, 0.0, 0.223606795072556, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H6O2.Na%2Fc8-7%289%296-4-2-1-3-5-6%3B%2Fh1-5H%2C%28H%2C8%2C9%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 1.0, , , , , 0.0, 1.0, 1.04044008255005 1.04044008255005, 0.130245730280876 0.130245730280876, , 1.05473780632019 1.05473780632019, 0.122617043554783 0.122617043554783, , 1.04044008255005 1.04044008255005, , 0.0, 0.0, 0.0868304893374443, 0.0, 0.0, 9.0, 6.69023466110229, 0.0, , 0.264795362949371, 10.0, 4.30453062057495, 0.0, , -0.138900905847549, , 1.0, 4.76033067703247, , 4.32192802429199, 0.0180205646902323, 0.5, , , 3.11111116409302, 3.6421070098877, , , 0.0, -0.010925030335784, 0.0, , , 2.59263896942139, , 0.0, -0.000577134662307799, 0.16666667163372, 1.80083346366882, 0.0, 0.0, 0.0, 0.0, 1.25044357776642, 0.0, 0.0, 999.0009765625, 0.451184451580048, , , 0.0, , 0.235702261328697, 5.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 106.029998779297, 0.0320750139653683, 0.0, 0.0160375069826841, 820130816.0, , 0.0, , , 40.1300010681152, 0.0, 1.0, 0.999000012874603, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 9000000512.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0589255653321743, , , , 6.08364343643188, 5.0, , , 4.74510288238525, , , , 0.0, , 0.0, , 14.2127227783203, , 9.66418361663818, 40.0, 357.433959960938, 0.0, 0.0, , 0.0, 4.29499959945679, , 12.4386529922485, 0.5, 383.633331298828, , 0.0, 2.36480784416199, 10.3283681869507, , 0.0833333358168602, 0.0, 450.459320068359, , 0.0, 1.46808743476868, , 6.32836771011353, 0.0, , 335.864044189453, 0.891640186309814, , 0.0, 144.976303100586, 0.506194233894348, , 0.0, , 0.0, 0.0, 0.287289351224899, , 0.0, , , 0.054755475372076, 0.0, , 0.0130945695564151, 1.0, , 0.0, 
-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, 1.0, 2.67269611358643, , , , , 3.03934264183044, 1.0, 3.75820827484131 3.75820827484131, 1.46950852870941 1.46950852870941, , 7.24003458023071 7.24003458023071, 2.1247763633728 2.1247763633728, , 8.61607551574707 8.61607551574707, , 0.0, 0.0, 1.86323297023773 1.86323297023773, 0.0, 0.0, 31.0, 12.4662551879883, 0.0, , 0.408480614423752, 13.4320983886719, 8.10822582244873, 0.0, , -0.299358695745468, , 3.0, 5.32544374465942, , 5.08746290206909, 0.287190735340118, 1.29103946685791, 0.0, , 2.29072308540344, 7.17953109741211, , 0.0, 0.0, -0.338165611028671, 0.0680413842201233, , , 6.324462890625, , 1.63976919651031, 0.153257921338081, 0.635379731655121, 5.65824890136719, 0.0, 1.17348229885101, 0.130245730280876, 1.0, 3.53914260864258, 0.0, 0.5, 1.0, 2.31121063232422, , , 0.0, , 1.17533838748932, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 1.0, 628.049987792969, 0.0445750132203102, 0.0, 0.0474097840487957, 210.0, , 0.0, , , 82.25, 0.0, 1.0, 0.5, 0.0, 0.5, , 0.0, , 0.0, 0.0, 1.0, , , 458.0, 0.0, 0.0, 0.150174587965012, 0.0, 0.25716707110405, , , , 6.94562911987305, 6.0, , , 7.5181999206543, , , , 0.0, , 2.62074136734009, , 20.0433826446533, , 19.6610164642334, 88.0, 1080.85302734375, 0.0, 0.0, , 0.0, 9.29096126556396, , 29.570405960083, 0.75, 1282.33203125, , 0.0, 5.26710891723633, 35.3180313110352, , 0.551823198795319, 0.0, 1854.34838867188, , 0.0, 3.77830338478088, , 35.7520942687988, 0.0441941730678082, , 2014.71813964844, 2.96345019340515, , 0.175469577312469, 1560.09875488281, 1.9982715845108, , 1.0, , 0.0324090607464314, 0.0, 1.08343553543091, , 0.0, , , 0.519090533256531, 0.0, , 0.242734625935555, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%2811%295%289%296%2810%294%282%298%2Fh1%2C11H, 0.0, 6.08364343643188, , , , , 0.0, 5.0, 2.88704609870911 2.88704609870911, 1.80107724666595 1.80107724666595, , 3.69016051292419 3.69016051292419, 2.0223650932312 2.0223650932312, , 5.03910875320435 5.03910875320435, 0.0, 0.0, 0.0, 2.3848934173584 2.3848934173584, 0.0, 0.0, 17.0, 8.59385776519775, 0.0, 0.0, 0.280820846557617, 9.09090900421143, 5.03658103942871, 0.0, , -0.0162514057010412, , 0.0, 3.1640625, , 4.45943164825439, -0.115922793745995, 1.04875481128693, 0.0, , 1.60000002384186, 4.76762008666992, , 0.0, 0.0, -0.0690034627914429, 0.0, , , 4.19739627838135, , 0.0, 0.000419377931393683, 0.494387745857239, 2.53098058700562, 0.0, 0.0, 0.0, 0.0, 1.52339267730713, 0.0, 0.0, 0.666666686534882, 0.753461480140686, 0.0, , 0.0, 0.0, 0.181443691253662, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 59.0499992370605, 0.0180421955883503, 0.0, 0.0899004265666008, 89.0, , 0.0, , , 20.2299995422363, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 140.0, 0.0, 0.0, 0.0453609228134155, 0.0, 0.226804599165916, , 0.0, 0.0, 0.0, 6.0, 0.0, , 3.04182171821594, , 0.0, , 0.0, , 0.0, 0.0, 42.6254844665527, , 19.1390419006348, 54.0, 816.74267578125, 0.0, 0.0, 0.0, 0.0, 8.06013774871826, , 32.2780838012695, 0.0, 928.669799804688, , 0.0, 4.06874370574951, 59.3483276367188, , 0.653423190116882, 0.0, 1254.63745117188, , 0.0, 3.36055588722229, , 38.4285202026367, 0.0, , 1133.80932617188, 2.82485914230347, , 0.290098965167999, 501.830200195312, 1.35166883468628, , 0.0, , 0.0, 0.0, 0.701646268367767, 1.0, 0.0, , 0.0, 0.306734055280685, 0.0, , 0.0787403881549835, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC8H7NO4%2Fc1-13-8%2810%296-2-4-7%285-3-6%299%2811%2912%2Fh2-5H%2C1H3, 0.0, 1.31037068367004, , , , , 0.0, 2.0, 2.12969565391541 2.12969565391541, 0.444003134965897 0.444003134965897, , 2.33282566070557 2.33282566070557, 0.427365094423294 0.427365094423294, , 2.29763031005859 2.29763031005859, , 0.0, 0.0, 0.360342979431152 0.360342979431152, 0.0, 0.0, 17.0, 9.84493541717529, 0.0, , 0.340107887983322, 11.0769233703613, 6.14706563949585, 0.0, , -0.174256935715675, , 1.0, 5.02422142028809, , 4.70043992996216, 0.0727529898285866, 0.902368903160095, , , 3.0, 5.30440902709961, , 0.0, 0.0, -0.0303171742707491, 0.0, , , 4.20799398422241, , 0.894427180290222, 0.0115666436031461, 0.284517794847488, 2.7140154838562, 0.0, 0.908560276031494, 0.0, 0.0, 1.83241188526154, 0.0, 0.0, 1.0, 1.24490690231323, , , 0.0, , 0.910866022109985, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 244.050003051758, 0.0277777779847383, 0.0, 0.0263114888221025, 153.0, , 0.0, , , 72.120002746582, 0.0, 1.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 262.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.0962250456213951, , , , 3.30192732810974, 5.0, , , 7.06555128097534, , , , 0.0, , 0.0, , 16.4578647613525, , 15.2693929672241, 60.0, 524.327514648438, 0.0, 0.0, , 0.0, 6.88960790634155, , 20.2096767425537, 0.650697648525238, 582.343811035156, , 0.0, 3.47661900520325, 20.3211975097656, , 0.236803397536278, 0.650697648525238, 739.125427246094, , 0.0, 2.295565366745, , 14.8229207992554, 0.0, , 672.144836425781, 1.4992208480835, , 0.0263114888221025, 422.677947998047, 0.837080180644989, , 1.0, , 0.0, 0.0, 0.492020964622498, , 0.0, , , 0.221921861171722, 0.0, , 0.102668054401875, 1.0, , 0.0, 
-InChI%3D1S%2FC9H14O2%2Fc1-2-9%2810%2911-8-6-4-3-5-7-8%2Fh2%2C8H%2C1%2C3-7H2, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.86186808347702 0.86186808347702, 0.28739070892334 0.28739070892334, 0.0, 1.07640624046326 1.07640624046326, 0.377112537622452 0.377112537622452, 0.0, 1.26007962226868 1.26007962226868, 0.0, 0.0, 0.0, 0.401226162910461 0.401226162910461, 0.0, 0.0, 11.0, 8.10444831848145, 0.0, 0.0, 0.267305880784988, 9.09090900421143, 5.3256983757019, 0.0, 0.0, -0.174462333321571, 0.0, 1.0, 4.79289960861206, 0.0, 4.45943164825439, 0.0612367428839207, 0.492799282073975, 0.0, 0.0, 3.26530623435974, 4.25315809249878, 0.0, 0.0, 0.0, -0.0104256104677916, 0.0, 0.0, 0.0, 3.15737056732178, 0.0, 1.39613628387451, -0.0094142397865653, 0.0, 2.15854430198669, 0.0, 0.70710676908493, 0.0, 5.0, 1.62123441696167, 0.0, 0.0, 0.75, 0.713373184204102, 0.0, 0.0, 0.0, 1.0, 0.402368932962418, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 515.02001953125, 0.102062076330185, 0.0, 0.0416666679084301, 118.0, 0.0, 0.0, 0.0, 0.0, 26.2999992370605, 1.0, 0.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 168.0, 0.0, 0.0, 0.102062076330185, 1.0, 0.0721687823534012, 0.0, 0.0, 0.0, 6.40992593765259, 6.0, 0.0, 0.0, 5.14491653442383, 0.0, 0.0, 0.0, 1.0, , 0.0, 1.0, 12.5489377975464, 0.0, 11.9962759017944, 48.0, 502.193420410156, 0.0, 1.0, 0.0, 0.0, 6.71383762359619, 0.0, 15.1028366088867, 0.0, 531.114685058594, 0.0, 0.0, 4.15737056732178, 12.6604595184326, 0.0, 0.165963649749756, 0.5, 617.490844726562, 0.0, 0.0, 2.90102982521057, 0.0, 8.99627590179443, 0.0, , 504.780609130859, 2.00168609619141, 0.0, 0.0, 342.497833251953, 1.39536130428314, 0.0, 0.0, 0.0, 0.0, 0.0, 0.99775218963623, 0.0, 0.0, 0.0, 0.0, 0.27250462770462, 0.0, 0.0, 0.133764311671257, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H6O2%2Fc8-5-6-3-1-2-4-7%286%299%2Fh1-5%2C9H, 0.0, 1.0, , , , , 0.0, 2.0, 1.06903564929962 1.06903564929962, 0.279316931962967 0.279316931962967, , 1.40829122066498 1.40829122066498, 0.260628938674927 0.260628938674927, , 1.30473780632019 1.30473780632019, , 0.0, 0.0, 0.203779503703117 0.203779503703117, 0.0, 0.0, 10.0, 6.69023466110229, 0.0, , 0.213321149349213, 7.11111116409302, 4.3425350189209, 0.0, , -0.0543274320662022, , 0.0, 3.23966932296753, , 4.16992521286011, -0.0156051628291607, 0.402368932962418, , , 1.70414197444916, 3.43006896972656, , 0.0, 0.0, -0.0910379067063332, 0.0, , , 2.81349611282349, , 0.0, 0.0551012977957726, 0.117851130664349, 1.99955224990845, 0.0, 0.0, 0.0, 0.0, 1.20977282524109, 0.0, 0.0, 0.666666686534882, 0.469913214445114, , , 0.0, , 0.176776692271233, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 153.020004272461, 0.0277777779847383, 0.0, 0.0284601077437401, 67.0, , 0.0, , , 37.2999992370605, 1.0, 1.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 86.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , , , 5.08567523956299, 5.0, , , 5.67623996734619, , , , 0.0, , 0.0, , 10.5489377975464, , 9.66418361663818, 40.0, 374.6103515625, 0.0, 0.0, , 0.0, 4.74221324920654, , 11.9962759017944, 0.25, 405.678802490234, , 0.0, 2.5753345489502, 11.6604595184326, , 0.147883057594299, 0.0, 487.115997314453, , 0.0, 1.67666685581207, , 6.77074480056763, 0.0, , 380.551849365234, 1.06372153759003, , 0.0215165745466948, 142.357681274414, 0.587186932563782, , 0.0, , 0.0, 0.0, 0.315203547477722, , 0.0, , , 0.0813550129532814, 0.0, , 0.0202667620033026, 1.0, , 0.0, 
-InChI%3D1S%2FC6H14S2%2Fc1-3-5-7-8-6-4-2%2Fh3-6H2%2C1-2H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 5.0, 6.24264049530029, 0.0, 0.0, 0.0232434086501598, 8.0, 3.91421365737915, 0.0, 0.0, -0.0027900175191462, 0.0, 0.0, 7.0, 0.0, 4.0, -0.013208587653935, 0.0, 0.0, 0.0, 7.19999980926514, 2.41421365737915, 0.0, 0.0, 0.142857149243355, 0.00250104675069451, 0.0, 0.0, 0.0, 1.45710682868958, 0.0, 2.87443280220032, 0.00156295159831643, 0.0, 0.853553414344788, 0.0, 0.0, 0.0, 4.0, 0.478553384542465, 0.0, 0.0, 0.75, 0.25, 0.0, 0.0, 0.0, 0.0, 0.125, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 385.019989013672, 0.0, 0.0, 0.0, 74.0, 0.0, 0.0, 0.0, 0.0, 50.5999984741211, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 84.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.40685200691223, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 20.2555065155029, 0.0, 16.4673233032227, 26.0, 577.820068359375, 0.0, 0.0, 0.0, 0.0, 6.94842290878296, 0.0, 12.6791410446167, 0.0, 536.88134765625, 0.0, 0.0, 5.03687238693237, 11.6791410446167, 0.0, 0.0, 0.0, 464.163787841797, 2.0, 0.0, 3.64900183677673, 0.0, 7.33957052230835, 0.0, , 367.315826416016, 2.74539113044739, 0.0, 0.0, 264.881225585938, 1.91809749603271, 0.0, 2.0, 0.0, 0.0, 0.0, 1.07540082931519, 0.0, 0.0, 0.0, 0.0, 0.561797738075256, 0.0, 0.0, 0.280898869037628, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H21O2PS3%2Fc1-6-10-12%2813%2C11-7-2%2915-8-14-9%283%2C4%295%2Fh6-8H2%2C1-5H3, 7.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 2.18566012382507 2.18566012382507, 4.59107398986816 4.59107398986816, 0.0, 3.0909903049469 3.0909903049469, 7.70150947570801 7.70150947570801, 0.0, 2.10485434532166 2.10485434532166, 0.0, 0.0, 0.0, 7.24458932876587 7.24458932876587, 0.0, 0.5, 16.0, 11.9497470855713, 0.0, 0.0, 0.323013633489609, 15.0, 6.8284273147583, 0.0, 0.0, -0.255111306905746, 0.0, 0.0, 6.55401659011841, 0.0, 4.90689039230347, 0.203384175896645, 2.48743677139282, 0.0, 0.0, 7.875, 6.72487354278564, 0.0, 0.0, 1.94994282722473, -0.193389430642128, 0.530330061912537, 0.0, 0.0, 3.41421365737915, 0.0, 3.59944701194763, 0.121190220117569, 0.0, 2.62760186195374, 0.0, 0.0, 0.0, 3.0, 1.15533006191254, 0.0, 2.29578280448914, 1.0, 1.03033006191254, 0.0, 0.0, 0.0, 0.0, 0.353553384542465, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1015.05999755859, 0.0, 0.0, 0.0, 176.0, 1.0, 0.0, 0.0, 0.0, 110.959999084473, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 412.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.721124768257141, 2.0, 40.5826110839844, 0.0, 36.3139381408691, 66.0, 1156.08557128906, 0.0, 0.0, 0.0, 0.0, 13.4536924362183, 0.0, 52.6656303405762, 0.0, 1234.228515625, 0.0, 0.0, 10.2177677154541, 36.389705657959, 0.0, 4.52800750732422, 0.0, 1508.74377441406, 2.0, 0.0, 12.2639818191528, 0.0, 41.1720733642578, 0.947782635688782, , 1294.44665527344, 8.61229228973389, 0.0, 0.0, 1126.73022460938, 8.20345878601074, 0.0, 5.0, 0.0, 0.0, 0.0, 5.30291700363159, 0.0, 0.0, 0.0, 0.0, 5.70128536224365, 0.0, 0.0, 1.64316761493683, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2F2C4H7Cl3O.H2O%2Fc2%2A1-3%282%2C8%294%285%2C6%297%3B%2Fh2%2A8H%2C1-2H3%3B1H2, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0 9.0, 7.94174385070801 7.94174385070801, 0.0, 3.0 3.0, 2.54448986053467 2.54448986053467, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 18.0, 14.0, 0.0, 0.0, 0.426843076944351, 22.2040824890137, 6.5, 0.0, 0.0, -0.146236464381218, 0.0, 0.0, 6.25, 0.0, 5.08746290206909, -0.164087653160095, 5.0, 0.0, 0.0, 9.67901229858398, 9.0, 0.0, 0.0, 4.76220293421648e-06, 0.096902571618557, 1.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.000425463658757508, 999.0009765625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.00000021222513e-06, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 628.090026855469, 0.0, 0.0, 0.0, -2064771072.0, 0.0, 0.0, 0.0, 0.0, 40.4599990844727, 0.0, 2.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 80000000000.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 65.5999298095703, 0.0, 26.3746089935303, 76.0, 1027.05688476562, 0.0, 0.0, 0.0, 0.0, 14.1977872848511, 0.0, 83.9794998168945, 9.99999971718069e-10, 1098.83435058594, 0.0, 0.0, 6.34889364242554, 59.0127639770508, 0.0, 4.78086137771606, 0.0, 1452.37145996094, 0.0, 0.0, 8.67601680755615, 0.0, 0.0, 0.952538251876831, , 865.379821777344, 4.16231918334961, 0.0, 3.6535382270813, 0.0, 0.0, 0.0, 4.0, 0.0, 2.2433910369873, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H6O2%2Fc5-3-1-2-4-6%2Fh5-6H%2C3-4H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 4.8284273147583, 0.0, 0.0, 0.222211331129074, 6.0, 2.91421365737915, 0.0, 0.0, -0.129923298954964, 0.0, 0.0, 5.0, 0.0, 3.58496260643005, -0.0055545661598444, 0.0, 0.0, 0.0, 5.33333349227905, 1.70710682868958, 0.0, 0.0, 0.0, 0.0879452005028725, 0.0, 0.0, 0.0, 0.95710676908493, 0.0, 0.0, -0.105551101267338, 0.0, 0.5, 0.0, 0.0, 0.0, 2.0, 0.25, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 91.0199966430664, 0.0, 0.0, 0.0, 38.0, 0.0, 0.0, 0.0, 0.0, 40.4599990844727, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 35.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.96540641784668, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.54893827438354, 0.0, 5.66418409347534, 18.0, 136.854614257812, 0.0, 0.0, 0.0, 0.0, 3.30864071846008, 0.0, 4.66418409347534, 0.200000002980232, 121.180557250977, 0.0, 0.0, 1.58956229686737, 3.66418385505676, 0.0, 0.0, 0.0, 94.4327774047852, 0.0, 0.0, 0.669781148433685, 0.0, 2.66418385505676, 0.0, , 65.6001739501953, 0.283113896846771, 0.0, 0.0, 37.582691192627, 0.111803397536278, 0.0, 0.0, 0.0, 0.0, 0.0, 0.025000000372529, 2.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H5NO%2Fc1-4-2-6-3-5-4%2Fh2-3H%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.40824830532074 0.40824830532074, 0.127240225672722 0.127240225672722, 0.0, 0.433012694120407 0.433012694120407, 0.0912870913743973 0.0912870913743973, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.40577745437622, 0.0, 0.0, 0.239799708127975, 4.16666650772095, 2.8938467502594, 0.0, 0.0, -0.177006289362907, 0.0, 0.0, 1.63265311717987, 0.0, 3.58496260643005, 0.0592698305845261, 0.288675129413605, 1.0, 0.0, 0.979591846466064, 2.38962864875793, 0.0, 0.0, 0.0, -0.00216339901089668, 0.0, 0.0, 0.0, 1.64384686946869, 0.0, 0.816496610641479, 0.0, 0.0, 1.12993609905243, 0.0, 1.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0304290316998959, 0.0, 0.0, 91.0199966430664, 0.0304290316998959, 0.0, 0.0, 29.0, 0.0, 0.0, 0.0, 0.0, 26.0300006866455, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.0, 0.144337564706802, 0.0, 0.144337564706802, 0.0, 0.0, 0.0, 1.0, 0.0, 0.5, 1.0, 1.0, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.13445711135864, 0.0, 6.99655437469482, 26.0, 159.186920166016, 0.0, 0.0, 0.0, 0.0, 3.51016235351562, 0.0, 8.21792888641357, 0.0, 163.589599609375, 0.0, 0.0, 1.74188530445099, 2.33209204673767, 0.0, 0.129099443554878, 0.0, 184.139907836914, 0.0, 0.0, 1.12982392311096, 0.0, 0.0, 0.0, , 46.7314300537109, 0.555794894695282, 0.0, 0.0, 0.0, 0.272891163825989, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0608580633997917, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H6Br2%2Fc4-2-1-3-5%2Fh1-3H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.12132024765015, 0.0, 0.0, 0.0603084452450275, 5.0, 2.41421365737915, 0.0, 0.0, -0.0199051816016436, 0.0, 0.0, 4.0, 0.0, 3.32192802429199, 0.00153926759958267, 0.0, 0.0, 0.0, 4.0, 1.35355341434479, 0.0, 0.0, 0.0, -0.0289087221026421, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0171204134821892, 0.0, 0.353553384542465, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 80.0199966430664, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 91.5161819458008, 0.0, 15.3053512573242, 14.0, 292.561614990234, 0.0, 0.0, 0.0, 0.0, 6.04924249649048, 0.0, 14.3053512573242, 0.0, 246.932342529297, 0.0, 0.0, 3.77746033668518, 13.3053512573242, 0.0, 0.0, 0.0, 177.120544433594, 0.0, 0.0, 2.31751441955566, 0.0, 44.2580909729004, 0.0, , 108.673385620117, 1.38873016834259, 0.0, 0.0, 41.9482917785645, 1.36370599269867, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12O%2Fc1-3-5-6%287%294-2%2Fh4%2C6-7H%2C2-3%2C5H2%2C1H3, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.492799282073975 0.492799282073975, 0.149071201682091 0.149071201682091, 0.0, 0.40824830532074 0.40824830532074, 0.127240225672722 0.127240225672722, 0.0, 0.20412415266037 0.20412415266037, 0.0, 0.0, 0.0, 0.0527046285569668 0.0527046285569668, 0.0, 0.0, 5.0, 5.69867038726807, 0.0, 0.0, 0.0797122344374657, 7.0, 3.30806040763855, 0.0, 0.0, -0.0302930995821953, 0.0, 0.0, 4.16666650772095, 0.0, 3.80735492706299, -0.00931228045374155, 0.288675129413605, 0.0, 0.0, 3.83999991416931, 2.30209517478943, 0.0, 0.0, 0.200000002980232, -0.000220820147660561, 0.0, 0.0, 0.0, 1.47839784622192, 0.0, 2.80396580696106, -2.96745365631068e-05, 0.0, 0.696923434734344, 0.0, 0.816496610641479, 0.0, 2.0, 0.20412415266037, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 282.010009765625, 0.0, 0.0, 0.0, 45.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 1.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 50.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.65096366405487, 3.0, 0.0, 0.0, 2.38110160827637, 0.0, 0.0, 0.0, 1.0, , 0.0, 0.0, 7.77446889877319, 0.0, 6.33209180831909, 24.0, 262.653900146484, 0.0, 1.0, 0.0, 0.0, 4.7232346534729, 0.0, 6.66418409347534, 0.0, 245.887252807617, 0.0, 0.0, 2.61513566970825, 5.66418409347534, 0.0, 0.105409257113934, 0.0, 231.756607055664, 0.0, 0.0, 1.5917249917984, 0.0, 3.33209204673767, 0.0, , 171.465881347656, 0.856517195701599, 0.0, 0.0, 91.2363204956055, 0.413617253303528, 0.0, 1.0, 0.0, 0.0, 0.0, 0.117851130664349, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H4N2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.492799282073975 0.492799282073975, 0.103403113782406 0.103403113782406, 0.0, 0.594861328601837 0.594861328601837, 0.097883053123951 0.097883053123951, 0.0, 0.492799282073975 0.492799282073975, 0.0, 0.0, 0.0, 0.0689354091882706 0.0689354091882706, 0.333333343267441, 0.0, 7.0, 5.81999111175537, 0.0, 0.0, 0.169190898537636, 6.125, 3.9318516254425, 0.0, 0.0, -0.0581484660506248, 0.0, 0.0, 3.11111116409302, 0.0, 4.0, -0.0628332123160362, 0.20412415266037, 0.0, 0.0, 1.79999995231628, 2.91228413581848, 0.0, 0.0, 0.0, 0.0630652233958244, 0.0, 0.0, 0.0, 2.30209517478943, 0.0, 0.0, -0.021705212071538, 0.0, 1.59538793563843, 0.0, 0.0, 0.0, 0.0, 1.10517168045044, 0.0, 0.0, 0.666666686534882, 0.348461717367172, 0.0, 0.0, 0.0, 0.0, 0.144337564706802, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 88.0199966430664, 0.0248451996594667, 0.0, 0.0124225998297334, 60.0, 0.0, 0.0, 0.0, 0.0, 36.6800003051758, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 64.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, 0.0, 1.0, 0.0, 5.08567523956299, 4.0, 0.0, 0.0, 3.04182171821594, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 8.7199764251709, 0.0, 8.49855613708496, 34.0, 303.426055908203, 0.0, 0.0, 0.0, 0.0, 4.20382833480835, 0.0, 9.66474056243896, 0.0, 318.813079833984, 0.0, 0.0, 2.24408769607544, 7.69235849380493, 0.0, 0.0645497217774391, 0.0, 357.383239746094, 0.0, 0.0, 1.32678127288818, 0.0, 3.33237051963806, 0.0, , 248.888458251953, 0.779442012310028, 0.0, 0.0, 83.0436706542969, 0.428894191980362, 0.0, 0.0, 0.0, 0.0, 0.0, 0.23654879629612, 0.0, 1.0, 0.0, 0.0, 0.0468903034925461, 1.0, 0.0, 0.0111111113801599, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC9H19NO%2Fc1-4-10%285-2%298-6-7-9%283%2911%2Fh4-8H2%2C1-3H3, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.841260969638824 0.841260969638824, 0.530093252658844 0.530093252658844, 0.0, 0.798985481262207 0.798985481262207, 0.532946407794952 0.532946407794952, 0.0, 0.380900830030441 0.380900830030441, 0.0, 0.0, 0.0, 0.229917213320732 0.229917213320732, 0.0, 0.0, 10.0, 8.69023418426514, 0.0, 0.0, 0.212510138750076, 11.0, 5.20190715789795, 0.0, 0.0, -0.0764127895236015, 0.0, 1.0, 6.69421482086182, 0.0, 4.45943164825439, -0.0299161802977324, 0.61237245798111, 0.0, 0.0, 6.40000009536743, 4.00727272033691, 0.0, 0.0, 0.516459047794342, -0.00386526179499924, 0.0, 0.0, 0.0, 2.5485475063324, 0.0, 4.78212213516235, -0.0464363880455494, 0.0, 1.51169800758362, 0.0, 0.908560276031494, 0.0, 5.0, 0.6910440325737, 0.0, 0.0, 0.75, 0.5, 0.0, 0.0, 0.0, 1.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 731.02001953125, 0.0, 0.0, 0.0, 111.0, 0.0, 0.0, 0.0, 0.0, 20.3099994659424, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 188.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 4.61053943634033, 2.0, 0.0, 0.0, 1.83548891544342, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 12.1344566345215, 0.0, 10.8306474685669, 42.0, 496.725036621094, 0.0, 0.0, 0.0, 0.0, 7.89099597930908, 0.0, 12.1627397537231, 0.0, 492.121978759766, 0.0, 0.0, 4.42057418823242, 10.4982776641846, 0.0, 0.302451461553574, 0.0, 521.638488769531, 0.0, 0.0, 2.8324511051178, 0.0, 8.49827766418457, 0.0, , 461.131866455078, 1.89760756492615, 0.0, 0.0, 348.683898925781, 1.09144377708435, 0.0, 3.0, 0.0, 0.0, 0.0, 0.446741998195648, 0.0, 0.0, 0.0, 0.0, 0.269250333309174, 0.0, 0.0, 0.157446950674057, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H14S%2Fc1-3-5-7-6-4-2%2Fh3-6H2%2C1-2H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 5.5355339050293, 0.0, 0.0, 0.0265687238425016, 7.0, 3.41421365737915, 0.0, 0.0, -0.0147826205939054, 0.0, 0.0, 6.0, 0.0, 3.80735492706299, 0.000153306478750892, 0.0, 0.0, 0.0, 6.0, 2.06066012382507, 0.0, 0.0, 0.16666667163372, 0.0010801957687363, 0.0, 0.0, 0.0, 1.20710682868958, 0.0, 3.18108296394348, 0.000242304551647976, 0.0, 0.676776707172394, 0.0, 0.0, 0.0, 4.0, 0.353553384542465, 0.0, 0.0, 1.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 358.010009765625, 0.0, 0.0, 0.0, 54.0, 0.0, 0.0, 0.0, 0.0, 25.2999992370605, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 56.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.94168281555176, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 13.1277532577515, 0.0, 9.33957004547119, 22.0, 382.405700683594, 0.0, 0.0, 0.0, 0.0, 6.05317211151123, 0.0, 8.33957004547119, 0.0, 347.0576171875, 0.0, 0.0, 4.14626455307007, 7.33957052230835, 0.0, 0.0, 0.0, 289.407623291016, 1.0, 0.0, 2.83711719512939, 0.0, 3.0, 0.0, , 216.12141418457, 2.09077024459839, 0.0, 0.0, 146.643371582031, 1.17221164703369, 0.0, 2.0, 0.0, 0.0, 0.0, 0.61237245798111, 0.0, 0.0, 0.0, 0.0, 0.306186228990555, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H18O2%2Fc1-2-3-4-5-6-7-8-9%2810%2911%2Fh2-8H2%2C1H3%2C%28H%2C10%2C11%29, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.0456435456871986 0.0456435456871986, 0.0, 0.20412415266037 0.20412415266037, 0.0322748608887196 0.0322748608887196, 0.0, 0.144337564706802 0.144337564706802, 0.0, 0.0, 0.0, 0.0228217728435993 0.0228217728435993, 0.0, 0.0, 8.0, 8.52709770202637, 0.0, 0.0, 0.191857397556305, 11.0, 5.27005577087402, 0.0, 0.0, -0.0930832847952843, 0.0, 1.0, 8.10000038146973, 0.0, 4.45943164825439, 0.00166334968525916, 0.40824830532074, 0.0, 0.0, 10.0, 3.95028901100159, 0.0, 0.0, 0.0, -0.00427390495315194, 0.0, 0.0, 0.0, 2.13502788543701, 0.0, 2.07099652290344, -0.000228688033530489, 0.0, 1.33291590213776, 0.0, 0.125, 0.0, 7.0, 0.817513883113861, 0.0, 0.0, 0.800000011920929, 0.489681273698807, 0.0, 0.0, 0.0, 1.0, 0.283756941556931, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 674.02001953125, 0.0, 0.0, 0.0, 139.0, 0.0, 0.0, 0.0, 0.0, 37.2999992370605, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 212.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.33325862884521, 7.0, 0.0, 0.0, 2.07099652290344, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 12.5489377975464, 0.0, 10.6641836166382, 40.0, 436.058807373047, 0.0, 0.0, 0.0, 0.0, 7.30520915985107, 0.0, 11.4386529922485, 0.5, 418.575042724609, 0.0, 0.0, 4.48839092254639, 8.66418361663818, 0.0, 0.0645497217774391, 0.0, 397.980804443359, 0.0, 0.0, 2.91150546073914, 0.0, 7.66418409347534, 0.0, , 334.842498779297, 1.74419558048248, 0.0, 0.0, 282.629791259766, 1.05655586719513, 0.0, 1.0, 0.0, 0.0, 0.0, 0.622097790241241, 1.0, 0.0, 0.0, 0.0, 0.351501196622849, 0.0, 0.0, 0.186048895120621, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H6Cl2O2%2Fc1-11-7-3-5%289%294%288%292-6%287%2910%2Fh2-3%2C10H%2C1H3, 0.0, 3.30192732810974, , , , , 0.0, 4.0, 2.09372901916504 2.09372901916504, 0.968455731868744 0.968455731868744, , 2.48133158683777 2.48133158683777, 0.841096341609955 0.841096341609955, , 3.43489599227905 3.43489599227905, , 0.0, 0.0, 0.9914710521698 0.9914710521698, 0.0, 0.0, 15.0, 8.43072128295898, 0.0, , 0.352315306663513, 9.09090900421143, 5.14706563949585, 0.0, , -0.115598127245903, , 0.0, 3.59999990463257, , 4.45943164825439, -0.0866861343383789, 0.873773455619812, 0.0, , 1.9753086566925, 4.57158422470093, , 0.0, 0.0, 0.00937171746045351, 0.0, , , 3.71862435340881, , 0.577350258827209, -0.0427984781563282, 0.284517794847488, 2.52238631248474, 0.0, 1.20855021476746, 0.0, 0.0, 1.8050400018692, 0.0, 0.0, 1.0, 0.862070739269257, , , 0.0, , 0.228962242603302, 2.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 179.039993286133, 0.020833333954215, 0.0, 0.0650676786899567, 97.0, , 0.0, , , 29.4599990844727, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 148.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.205950379371643, , 0.0, 0.0, 0.333333343267441, 6.0, , , 5.65685415267944, , 0.0, , 0.0, , 0.0, , 27.9744453430176, , 15.8997507095337, 52.0, 626.899536132812, 0.0, 0.0, , 0.0, 7.27794933319092, , 24.1353168487549, 0.0, 697.917297363281, , 0.0, 3.62457323074341, 32.6225395202637, , 0.450802117586136, 0.333333343267441, 909.876647949219, , 0.0, 2.75256586074829, , 19.7637214660645, 0.0, , 799.546203613281, 1.94393134117126, , 0.122357375919819, 404.024444580078, 0.993140041828156, , 1.0, , 0.0, 0.0, 0.633584558963776, , 0.0, , , 0.263694375753403, 0.0, , 0.0643035173416138, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC5H8O%2Fc1-3-4-5%282%296%2Fh1%2C5-6H%2C4H2%2C2H3, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.0912870913743973 0.0912870913743973, 0.0, 0.288675129413605 0.288675129413605, 0.0527046285569668 0.0527046285569668, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 4.99156379699707, 0.0, 0.0, 0.0962972640991211, 6.0, 2.77005553245544, 1.0, 0.0, -0.0196815580129623, 0.0, 0.0, 3.20000004768372, 0.0, 3.58496260643005, -0.0427490584552288, 0.40824830532074, 0.0, 0.0, 5.33333349227905, 2.18252205848694, 0.0, 0.0, 0.25, 0.0116288773715496, 0.0, 0.0, 0.0, 0.866025388240814, 0.0, 2.14913988113403, 0.00265310751274228, 0.0, 0.577350258827209, 0.0, 1.15470051765442, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 139.009994506836, 0.0, 0.0, 0.0, 31.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 6.77446889877319, 0.0, 5.33209180831909, 20.0, 175.262023925781, 0.0, 1.0, 0.0, 0.0, 3.80902099609375, 0.0, 5.66418409347534, 0.0, 159.869140625, 0.0, 0.0, 1.88602602481842, 3.33209204673767, 0.0, 0.182574182748795, 0.0, 145.18083190918, 0.0, 0.0, 1.25726962089539, 0.0, 2.33209204673767, 0.0, , 79.3972930908203, 0.413262367248535, 0.0, 0.0, 40.8301239013672, 0.170555755496025, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-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, 2.0, 10.4581613540649, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 4.16750335693359 4.16750335693359, 1.62817847728729 1.62817847728729, 0.0, 7.20991086959839 7.20991086959839, 2.15611481666565 2.15611481666565, 0.0, 8.89297485351562 8.89297485351562, 0.0, 0.0, 0.0, 2.15424823760986 2.15424823760986, 0.0, 0.400594353675842, 49.0, 23.7943172454834, 0.0, 0.0, 0.901953339576721, 27.5853061676025, 15.8674125671387, 0.0, 0.0, -0.564784824848175, 0.0, 1.0, 13.9212312698364, 0.0, 6.04439401626587, 0.138504534959793, 2.20076751708984, 0.0, 0.0, 8.56123638153076, 14.1454849243164, 0.0, 0.0, 0.5, 0.0785818919539452, 0.0, 0.0, 0.0, 10.747706413269, 0.0, 3.71375250816345, -0.178945422172546, 0.328567415475845, 9.33768463134766, 0.0, 4.67043685913086, 0.0, 0.0, 6.92393779754639, 0.0, 0.0, 1.0, 4.2248272895813, 2.0, 0.0, 0.0, 1.0, 3.40835618972778, 13.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2308.07006835938, 0.087630569934845, 0.0, 0.0678500458598137, 941.0, 0.0, 0.0, 0.0, 0.0, 68.5500030517578, 0.0, 4.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3560.0, 0.0, 0.0, 0.268728733062744, 0.0, 0.286244958639145, 0.0, 0.0, 0.0, 17.0665702819824, 17.0, 0.0, 0.0, 27.529483795166, 0.0, 0.0, 0.0, 0.0, , 0.0, 3.0, 39.4619522094727, 0.0, 38.6543998718262, 164.0, 1943.15148925781, 0.0, 4.0, 0.0, 0.0, 18.1510906219482, 0.0, 54.977783203125, 0.0, 2234.08203125, 0.0, 0.0, 10.348219871521, 55.2004165649414, 0.0, 0.953950762748718, 0.650697648525238, 2992.16235351562, 0.0, 0.0, 7.60285806655884, 0.0, 59.1391677856445, 0.0, , 3115.00561523438, 4.87599515914917, 0.0, 0.144641861319542, 2985.16015625, 3.37387704849243, 0.0, 2.0, 0.0, 0.0, 0.0, 2.0341055393219, 0.0, 1.0, 0.0, 0.0, 1.02680778503418, 1.0, 0.0, 0.661011695861816, 1.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC13H26O%2Fc1-3-4-5-6-7-8-9-10-11-12-13%282%2914%2Fh3-12H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.102062076330185 0.102062076330185, 0.0, 0.20412415266037 0.20412415266037, 0.0721687823534012 0.0721687823534012, 0.0, 0.144337564706802 0.144337564706802, 0.0, 0.0, 0.0, 0.0510310381650925 0.0510310381650925, 0.0, 0.0, 11.0, 10.6484184265137, 0.0, 0.0, 0.121041655540466, 14.0, 6.77005577087402, 0.0, 0.0, -0.0234891343861818, 0.0, 1.0, 11.0769233703613, 0.0, 4.80735492706299, -0.0351925380527973, 0.40824830532074, 0.0, 0.0, 13.0909090042114, 5.01094913482666, 0.0, 0.0, 0.0833333358168602, -0.00172985868994147, 0.0, 0.0, 0.0, 2.88502788543701, 0.0, 3.91727495193481, -0.000106062878330704, 0.0, 1.86324608325958, 0.0, 0.603022694587708, 0.0, 10.0, 1.19251394271851, 0.0, 0.0, 1.0, 0.754846334457397, 0.0, 0.0, 0.0, 1.0, 0.471256941556931, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1339.01000976562, 0.0, 0.0, 0.0, 239.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 444.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 15.159595489502, 10.0, 0.0, 0.0, 2.20812511444092, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 14.7744693756104, 0.0, 13.3320922851562, 52.0, 645.704162597656, 0.0, 0.0, 0.0, 0.0, 9.97931575775146, 0.0, 13.6641836166382, 0.0, 625.938781738281, 0.0, 0.0, 6.26478433609009, 11.3320922851562, 0.0, 0.144337564706802, 0.0, 607.423950195312, 0.0, 0.0, 4.280442237854, 0.0, 10.3320922851562, 0.0, , 534.887145996094, 2.63239216804504, 0.0, 0.0, 480.387420654297, 1.68460559844971, 0.0, 2.0, 0.0, 0.0, 0.0, 1.06619608402252, 0.0, 0.0, 0.0, 0.0, 0.665526151657104, 0.0, 0.0, 0.408098042011261, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H12N2%2Fc9-7-5-3-1-2-4-6-8-10%2Fh1-6H2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.111111111938953, 0.0 0.0, 0.0, 0.0, 7.0, 7.65685415267944, 0.0, 0.0, 0.196927860379219, 10.0, 4.91421365737915, 0.0, 0.0, -0.032428715378046, 0.0, 0.0, 9.0, 0.0, 4.32192802429199, -0.0564901493489742, 0.0, 0.0, 0.0, 9.14285755157471, 3.12132024765015, 0.0, 0.0, 0.0, -0.00824443250894547, 0.0, 0.0, 0.0, 1.95710682868958, 0.0, 0.0, 0.00375056429766119, 0.0, 1.20710682868958, 0.0, 0.0, 0.0, 6.0, 0.728553414344788, 0.0, 0.0, 0.800000011920929, 0.426776707172394, 0.0, 0.0, 0.0, 0.0, 0.239276692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 351.019989013672, 0.0, 0.0, 0.0, 122.0, 0.0, 0.0, 0.0, 0.0, 47.5800018310547, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 165.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.2405834197998, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 10.7199764251709, 0.0, 9.33237075805664, 34.0, 358.535797119141, 0.0, 0.0, 0.0, 0.0, 6.1370677947998, 0.0, 8.33237075805664, 0.0, 341.387145996094, 0.0, 0.0, 3.65432047843933, 7.33237028121948, 0.0, 0.0, 0.0, 308.104827880859, 0.0, 0.0, 2.2304413318634, 0.0, 6.33237028121948, 0.0, , 262.674133300781, 1.32716023921967, 0.0, 0.0, 212.838973999023, 0.761667251586914, 0.0, 0.0, 0.0, 0.0, 0.0, 0.41358008980751, 0.0, 2.0, 0.0, 0.0, 0.204056948423386, 2.0, 0.0, 0.0871516987681389, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC10H10O%2Fc1-3-10%282%2C11%299-7-5-4-6-8-9%2Fh1%2C4-8%2C11H%2C2H3, 1.0, 0.0, , , , , 1.0, 1.0, 2.34226155281067 2.34226155281067, 0.765472948551178 0.765472948551178, , 2.63822722434998 2.63822722434998, 0.707322776317596 0.707322776317596, , 2.54129409790039 2.54129409790039, , 0.0, 0.0, 0.567142248153687 0.567142248153687, 0.0, 0.0, 14.0, 8.31999111175537, 0.0, , 0.0841167643666267, 9.09090900421143, 5.16583204269409, 1.0, , -0.0306191369891167, , 0.0, 3.59999990463257, , 4.45943164825439, -0.0113081112504005, 1.19481432437897, 0.0, , 2.21453285217285, 4.67706823348999, , 0.0, 0.333333343267441, 1.08727454062318e-05, 0.20412415266037, , , 3.62157440185547, , 3.42215824127197, -0.000138163653900847, 0.348461717367172, 2.17273831367493, 0.0, 0.816496610641479, 0.102062076330185, 0.0, 1.51341998577118, 0.0, 1.41421353816986, 1.0, 0.637136876583099, , , 0.0, , 0.378354996442795, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 1.0, 331.010009765625, 0.0320750139653683, 0.0, 0.0160375069826841, 99.0, , 0.0, , , 20.2299995422363, 0.0, 2.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 150.0, 0.0, 1.0, 0.102062076330185, 0.0, 0.0510310381650925, , , , 6.94562911987305, 5.0, , , 3.53277564048767, , , , 0.0, , 2.62074136734009, , 11.7744693756104, , 11.3320922851562, 52.0, 574.026794433594, 0.0, 0.0, , 0.0, 6.41131544113159, , 15.9962759017944, 0.0, 633.110595703125, , 0.0, 3.42296552658081, 14.9962759017944, , 0.487841844558716, 0.0, 819.947021484375, , 0.0, 2.58257651329041, , 9.66418361663818, 0.0559016987681389, , 696.141662597656, 1.61695730686188, , 0.0975683629512787, 403.102691650391, 0.846021771430969, , 1.0, , 0.0186339002102613, 0.0, 0.483488887548447, , 1.0, , , 0.168031319975853, 1.0, , 0.0784944146871567, 0.0, , 0.0, 
-InChI%3D1S%2FC8H18O%2Fc1-2-3-4-5-6-7-8-9%2Fh9H%2C2-8H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 6.0, 6.94974756240845, 0.0, 0.0, 0.0834003686904907, 9.0, 4.41421365737915, 0.0, 0.0, -0.0336307436227798, 0.0, 0.0, 8.0, 0.0, 4.16992521286011, -0.00744553282856941, 0.0, 0.0, 0.0, 8.0, 2.76776695251465, 0.0, 0.0, 0.0, -0.000603174732532352, 0.0, 0.0, 0.0, 1.70710682868958, 0.0, 2.07099652290344, -2.04328189283842e-05, 0.0, 1.03033006191254, 0.0, 0.0, 0.0, 7.0, 0.603553414344788, 0.0, 0.0, 1.0, 0.338388353586197, 0.0, 0.0, 0.0, 0.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 604.010009765625, 0.0, 0.0, 0.0, 96.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 120.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.33325862884521, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 9.77446937561035, 0.0, 8.33209228515625, 30.0, 358.569061279297, 0.0, 0.0, 0.0, 0.0, 6.3969612121582, 0.0, 7.33209180831909, 0.0, 334.787200927734, 0.0, 0.0, 4.02333450317383, 6.33209180831909, 0.0, 0.0, 0.0, 295.125946044922, 0.0, 0.0, 2.49137377738953, 0.0, 5.33209180831909, 0.0, , 247.241943359375, 1.51166725158691, 0.0, 0.0, 196.14469909668, 0.892133474349976, 0.0, 1.0, 0.0, 0.0, 0.0, 0.505833625793457, 1.0, 0.0, 0.0, 0.0, 0.269290059804916, 0.0, 0.0, 0.127916812896729, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC18H39O7P%2Fc1-4-7-10-20-13-16-23-26%2819%2C24-17-14-21-11-8-5-2%2925-18-15-22-12-9-6-3%2Fh4-18H2%2C1-3H3, 12.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.43566012382507 1.43566012382507, 0.290619105100632 0.290619105100632, 0.0, 2.03033018112183 2.03033018112183, 0.3820461332798 0.3820461332798, 0.0, 1.88832521438599 1.88832521438599, 0.0, 0.0, 0.0, 0.305605411529541 0.305605411529541, 0.0, 3.63291311264038, 27.0, 19.3492431640625, 0.0, 0.0, 1.10208320617676, 26.0, 12.6819801330566, 0.0, 0.0, -0.837706208229065, 0.0, 0.0, 19.7530860900879, 0.0, 5.70043992996216, 0.350542187690735, 0.926776707172394, 0.0, 0.0, 18.1728401184082, 9.3639612197876, 0.0, 0.0, 0.1875, 0.190811038017273, 0.176776692271233, 0.0, 0.0, 6.40165042877197, 0.0, 5.92270755767822, -0.865942060947418, 0.0, 4.37132024765015, 0.0, 0.0, 0.0, 15.0, 2.98115539550781, 0.0, 0.0, 1.0, 2.03033018112183, 0.0, 0.0, 0.0, 1.0, 1.38074266910553, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3446.080078125, 0.0, 0.0, 0.0, 593.0, 0.0, 0.0, 0.0, 0.0, 82.2600021362305, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2221.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.7129859924316, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 6.0, 37.0716972351074, 0.0, 37.7298355102539, 104.0, 924.474060058594, 0.0, 0.0, 0.0, 0.0, 17.1354961395264, 0.0, 39.3721618652344, 0.0, 914.166259765625, 0.0, 0.0, 10.3153896331787, 38.0450286865234, 0.0, 0.182665541768074, 1.89736664295197, 939.019348144531, 0.0, 0.0, 6.26254415512085, 0.0, 39.2871360778809, 0.0186432246118784, , 936.070983886719, 3.73256421089172, 0.0, 0.0, 933.927307128906, 2.06110692024231, 0.0, 3.0, 0.0, 0.0, 0.0, 1.20912551879883, 0.0, 0.0, 0.0, 0.0, 0.714866280555725, 0.0, 0.0, 0.387459248304367, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H14N.HI%2Fc1-10%282%2C3%299-7-5-4-6-8-9%3B%2Fh4-8H%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, 0.0, 0.0, , , , , 0.0, 1.0, 1.86188173294067 1.86188173294067, 1.71438097953796 1.71438097953796, , 2.10315251350403 2.10315251350403, 1.64145445823669 1.64145445823669, , 2.15055680274963 2.15055680274963, , 0.0, 0.0, 1.37862288951874 1.37862288951874, 0.0, 0.0, 11.0, 7.61288404464722, 0.0, , 0.114621914923191, 11.0, 4.60517168045044, 0.0, , -0.0831901207566261, , 0.0, 4.13265323638916, , 4.45943164825439, 0.0192621946334839, 1.51036298274994, 0.0, , 3.26530623435974, 4.70095920562744, , 0.0, 1.5, 0.00600936589762568, 0.288675129413605, , , 2.82991647720337, , 4.02369213104248, 0.000586918380577117, 0.433012694120407, 1.96861410140991, 0.0, 1.5, 0.144337564706802, 0.0, 1.3690824508667, 0.0, 0.0, 999.0009765625, 0.535074770450592, , , 0.0, , 0.306186228990555, 5.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 466.019989013672, 0.0320750139653683, 0.0, 0.0226804614067078, -1474836480.0, , 0.0, , , 0.0, 0.0, 0.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 10000000000.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0510310381650925, , , 0.0, 6.08364343643188, 6.0, , , 3.04182171821594, , , , 0.0, , 0.0, , 121.998649597168, , 10.664740562439, 48.0, 615.638793945312, 0.0, 0.0, , 0.0, 9.43906593322754, , 14.3323707580566, 0.0, 634.633850097656, , 0.0, 4.38555717468262, 11.3323707580566, , 1.88561809062958, 0.0, 823.591674804688, , 0.0, 4.66757917404175, , 7.16618537902832, 0.353553384542465, , 623.849670410156, 2.06756949424744, , 0.353553384542465, 347.911804199219, 1.18511736392975, , 3.0, , 0.117851130664349, 0.0, 0.679265797138214, , 0.0, , , 0.281063169240952, 0.0, , 0.136082768440247, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC12H16%2Fc1-5-10-6-8-11%289-7-10%2912%282%2C3%294%2Fh5-9H%2C1H2%2C2-4H3, 3.0, 0.333333343267441, , , , , 1.0, 2.0, 2.35468101501465 2.35468101501465, 1.39140295982361 1.39140295982361, , 2.63406991958618 2.63406991958618, 1.3194385766983 1.3194385766983, , 2.49030327796936 2.49030327796936, , 0.0, 0.0, 1.06422424316406 1.06422424316406, 0.0, 0.0, 15.0, 9.19023418426514, 0.0, , 0.00121217640116811, 10.0833330154419, 5.53702354431152, 0.0, , -0.00027736253105104, , 0.0, 3.80622839927673, , 4.58496236801147, -0.000279504369245842, 1.71448707580566, 0.0, , 2.77777767181396, 5.4919228553772, , 0.0, 1.60356748104095, -4.66834135295358e-05, 0.288675129413605, , , 3.64884853363037, , 5.65763330459595, -2.49632171289704e-06, 0.433012694120407, 2.43672227859497, 0.0, 2.52982211112976, 0.144337564706802, 0.0, 1.63807117938995, 0.0, 2.55577230453491, 0.75, 1.19280898571014, , , 0.0, , 0.721404492855072, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 1.0, 652.0, 0.0277777779847383, 0.0, 0.0299263969063759, 126.0, , 0.0, , , 0.0, 1.0, 2.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 1.0, , , 201.0, 0.0, 0.0, 0.0833333358168602, 1.0, 0.100592233240604, , 0.0, 0.0, 4.88359355926514, 4.0, , , 6.59753942489624, , 0.0, , 1.0, , 1.76976454257965, , 12.0, , 12.0, 58.0, 751.80029296875, 0.0, 0.0, , 0.0, 8.09385776519775, , 17.0, 0.0, 828.0185546875, , 0.0, 4.26829051971436, 15.0, , 1.42955839633942, 0.0, 1094.2109375, , 0.0, 4.07613277435303, , 10.0, 0.25, , 922.826721191406, 2.01241135597229, , 0.25, 574.133850097656, 1.11920237541199, , 3.0, , 0.0833333358168602, 0.0, 0.636488676071167, , 0.0, , , 0.421832323074341, 0.0, , 0.208075866103172, 1.0, 0.0, 0.0, 
-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, 7.0, 3.53277564048767, , , , , 3.88393425941467, 4.0, 4.23766851425171 4.23766851425171, 2.54504346847534 2.54504346847534, , 6.63111352920532 6.63111352920532, 3.04190325737 3.04190325737, , 9.66980648040771 9.66980648040771, 0.0, 0.0, 0.0, 4.01235008239746 4.01235008239746, 0.0, 0.0, 25.0, 12.723614692688, 0.0, , 0.0750797763466835, 14.0625, 7.03171062469482, 0.0, , -0.0243459865450859, , 0.0, 4.34911251068115, , 5.0, -0.0112260207533836, 3.44887828826904, 0.0, , 3.25, 8.38072967529297, , 0.0, 5.04674816131592, -0.00184562150388956, 0.577350258827209, , , 4.80670404434204, , 3.97268962860107, -0.000124447862617671, 0.843189537525177, 3.95738744735718, 0.0, 9.26410293579102, 0.235702261328697, 0.0, 3.03390645980835, 0.0, 5.76183605194092, 0.5, 1.39334714412689, 0.0, , 0.0, 0.0, 0.768928706645966, 2.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, , 2.0, 1360.01000976562, 0.020833333954215, 0.0, 0.050983615219593, 154.0, , 0.0, , , 20.2299995422363, 0.0, 3.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 2.0, , , 392.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.16666667163372, , 0.0, 0.0, 0.5, 3.0, 0.0, , 5.11154460906982, , 0.0, , 0.0, , 1.41421353816986, 0.0, 16.7744693756104, , 16.3320922851562, 84.0, 1162.05151367188, 0.0, 0.0, 0.0, 0.0, 11.6019144058228, , 26.6641845703125, 0.0, 1343.06982421875, , 0.0, 5.8783073425293, 26.3283672332764, , 2.86690592765808, 0.0, 1959.61437988281, , 0.0, 6.70864915847778, , 27.3246440887451, 0.5, , 1870.52038574219, 2.8702826499939, , 0.465287566184998, 1646.66882324219, 1.92223536968231, , 7.0, , 0.144337564706802, 0.0, 1.46375644207001, 1.0, 0.0, , 0.0, 0.662971496582031, 0.0, , 0.305070132017136, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H, 0.0, 1.0, , , , , 0.0, 2.0, 1.13807117938995 1.13807117938995, 0.206806227564812 0.206806227564812, , 1.04044008255005 1.04044008255005, 0.16243277490139 0.16243277490139, , 1.13807117938995 1.13807117938995, , 0.0, 0.0, 0.137870818376541, 0.0, 0.0, 8.0, 5.98312759399414, 0.0, , 0.166801989078522, 6.125, 3.80453038215637, 0.0, , -0.0340428240597248, , 0.0, 2.51999998092651, , 4.0, -0.0821191072463989, 0.471404522657394, , , 1.48760330677032, 3.23902487754822, , , 0.0, 0.0340428240597248, 0.0, , , 2.54033637046814, , 0.0, -0.00128189276438206, 0.16666667163372, 1.50166130065918, 0.0, 0.0, 0.0, 0.0, 1.02437734603882, 0.0, 0.0, 0.333333343267441, 0.333333343267441, , , 0.0, , 0.0833333358168602, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 140.020004272461, 0.0277777779847383, 0.0, 0.0248451996594667, 54.0, , 0.0, , , 40.4599990844727, 0.0, 0.0, 0.25, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 60.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, , , , 3.96540641784668, 6.0, , , 4.29827976226807, , , , 0.0, , 0.0, , 9.54893779754639, , 8.66418361663818, 36.0, 310.432037353516, 0.0, 0.0, , 0.0, 4.20382833480835, , 11.3283681869507, 0.333333343267441, 331.359985351562, , 0.0, 2.27456378936768, 10.1028366088867, , 0.129099443554878, 0.0, 393.240386962891, , 0.0, 1.48871433734894, , 2.66418385505676, 0.0, , 277.594329833984, 0.881731867790222, , 0.0166666675359011, 60.4979057312012, 0.464163094758987, , 0.0, , 0.0, 0.0, 0.259390205144882, , 0.0, , , 0.0496903993189335, 0.0, , 0.00555555569007993, 0.0, , 0.0, 
-InChI%3D1S%2FC9H21N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-10H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 7.0, 7.65685415267944, 0.0, 0.0, 0.0296331718564034, 10.0, 4.91421365737915, 0.0, 0.0, -0.0120891109108925, 0.0, 0.0, 9.0, 0.0, 4.32192802429199, -0.00252518872730434, 0.0, 0.0, 0.0, 9.14285755157471, 3.12132024765015, 0.0, 0.0, 0.0, -0.000196016044355929, 0.0, 0.0, 0.0, 1.95710682868958, 0.0, 2.12520051002502, -6.19201682638959e-06, 0.0, 1.20710682868958, 0.0, 0.0, 0.0, 8.0, 0.728553414344788, 0.0, 0.0, 0.800000011920929, 0.426776707172394, 0.0, 0.0, 0.0, 0.0, 0.239276692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 810.010009765625, 0.0, 0.0, 0.0, 122.0, 0.0, 0.0, 0.0, 0.0, 26.0200004577637, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 165.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.2405834197998, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 10.3599882125854, 0.0, 9.16618537902832, 34.0, 439.604064941406, 0.0, 0.0, 0.0, 0.0, 7.23420429229736, 0.0, 8.16618537902832, 0.0, 412.755950927734, 0.0, 1.0, 4.61535501480103, 7.16618537902832, 0.0, 0.0, 0.0, 370.323547363281, 0.0, 0.0, 2.90999555587769, 0.0, 6.16618537902832, 0.0, , 320.386596679688, 1.80767750740051, 0.0, 0.0, 267.09033203125, 1.10144436359406, 0.0, 1.0, 0.0, 0.0, 0.0, 0.653838753700256, 0.0, 0.0, 0.0, 0.0, 0.373945474624634, 0.0, 0.0, 0.201919376850128, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H15NO3%2Fc1-12%282%297-8-5-4-6-9%2810%288%2916-12%2915-11%2814%2913-3%2Fh4-6H%2C7H2%2C1-3H3%2C%28H%2C13%2C14%29, 2.0, 3.14734530448914, , , , , 1.43721640110016, 3.0, 2.73729491233826 2.73729491233826, 1.08976674079895 1.08976674079895, , 4.53355503082275 4.53355503082275, 1.63325119018555 1.63325119018555, , 6.39498090744019 6.39498090744019, , 0.0, 0.0, 1.84952402114868 1.84952402114868, 0.0, 0.333333343267441, 22.0, 11.7591485977173, 0.0, , 0.464573055505753, 12.4567470550537, 7.51596832275391, 0.0, , -0.329578787088394, , 1.0, 4.7039999961853, , 5.0, 0.119165107607841, 1.96519804000854, 0.0, , 2.83111119270325, 7.43650150299072, , 0.0, 0.595275402069092, 0.0452915504574776, 0.25, , , 5.36593198776245, , 2.70229744911194, -0.16602486371994, 0.136082768440247, 4.44936418533325, 0.0, 3.10280632972717, 0.0, 1.0, 3.6977527141571, 0.0, 1.56827390193939, 1.0, 2.29166650772095, , , 0.0, , 1.52478992938995, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0360843911767006, , 1.0, 784.039978027344, 0.135100573301315, 0.0, 0.190714806318283, 208.0, , 0.0, , , 51.0499992370605, 0.0, 2.0, 0.5, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.0, 0.0, , , 425.0, 0.0833333358168602, 0.0, 0.341746121644974, 0.0, 0.58547580242157, , 0.0, 0.0, 3.14734530448914, 6.0, , , 6.85405731201172, , 0.0, , 0.0, , 1.51967132091522, , 18.6833953857422, , 18.9928302764893, 84.0, 902.191467285156, 0.0, 0.0, , 0.0, 9.65008163452148, , 29.2060451507568, 0.0, 1052.16345214844, , 0.0, 5.16204738616943, 25.2652988433838, , 1.09919619560242, 0.63245552778244, 1517.44091796875, , 0.0, 4.39117097854614, , 21.6570148468018, 0.144337564706802, , 1305.22058105469, 2.44751119613647, , 0.0328614637255669, 1047.15185546875, 1.81172013282776, , 3.0, , 0.0, 0.0, 1.22671377658844, , 0.0, , , 0.60541707277298, 0.0, , 0.323538035154343, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC3H10N2%2Fc4-2-1-3-5%2Fh1-5H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.25, 0.0 0.0, 0.0, 0.0, 2.0, 4.12132024765015, 0.0, 0.0, 0.061121940612793, 5.0, 2.41421365737915, 0.0, 0.0, -0.0200450010597706, 0.0, 0.0, 4.0, 0.0, 3.32192802429199, 0.00138093659188598, 0.0, 0.0, 0.0, 4.0, 1.35355341434479, 0.0, 0.0, 0.0, -0.029267393052578, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0173704866319895, 0.0, 0.353553384542465, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 176.020004272461, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 52.0400009155273, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.71997594833374, 0.0, 4.33237028121948, 14.0, 149.694702148438, 0.0, 0.0, 0.0, 0.0, 3.27602076530457, 0.0, 3.33237051963806, 0.0, 126.857109069824, 0.0, 2.0, 1.81649661064148, 2.33237051963806, 0.0, 0.0, 0.0, 91.5453491210938, 0.0, 0.0, 0.930903673171997, 0.0, 1.35998809337616, 0.0, , 53.8754463195801, 0.40824830532074, 0.0, 0.0, 21.0899085998535, 0.117851130664349, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H8O%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-6H%2C1H3, 1.0, 1.0, , , , , 0.0, 2.0, 1.06903564929962 1.06903564929962, 0.463579058647156 0.463579058647156, , 1.40829122066498 1.40829122066498, 0.431221038103104 0.431221038103104, , 1.30473780632019 1.30473780632019, , 0.0, 0.0, 0.348336428403854 0.348336428403854, 0.0, 0.0, 10.0, 6.69023466110229, 0.0, , 0.130894526839256, 7.11111116409302, 4.3425350189209, 0.0, , -0.0453170649707317, , 0.0, 3.23966932296753, , 4.16992521286011, -0.0155455488711596, 0.402368932962418, , , 1.70414197444916, 3.43006896972656, , 0.0, 0.0, -0.00417868467047811, 0.0, , , 2.81349611282349, , 1.70639371871948, -0.000398202042561024, 0.117851130664349, 1.99955224990845, 0.0, 1.41421353816986, 0.0, 0.0, 1.20977282524109, 0.0, 0.0, 0.666666686534882, 0.469913214445114, , , 0.0, , 0.176776692271233, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 217.009994506836, 0.0277777779847383, 0.0, 0.0438152849674225, 67.0, , 0.0, , , 17.0699996948242, 1.0, 2.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 86.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , , , 5.08567523956299, 4.0, , , 5.67623996734619, , , , 0.0, , 0.0, , 9.77446937561035, , 9.33209228515625, 40.0, 421.653839111328, 0.0, 0.0, , 0.0, 5.29499959945679, , 11.3320922851562, 0.0, 454.935119628906, , 0.0, 2.85172772407532, 10.6641836166382, , 0.227670907974243, 0.0, 549.718139648438, , 0.0, 1.97443914413452, , 5.99627590179443, 0.0, , 432.431579589844, 1.31542837619781, , 0.0481125228106976, 161.649627685547, 0.719017624855042, , 1.0, , 0.0, 0.0, 0.372509866952896, , 0.0, , , 0.112065367400646, 0.0, , 0.0291320774704218, 1.0, , 0.0, 
-InChI%3D1S%2FC8H18S2%2Fc1-7%282%2C3%299-10-8%284%2C5%296%2Fh1-6H3, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.5 1.5, 3.37078642845154 3.37078642845154, 0.0, 1.25 1.25, 2.80898880958557 2.80898880958557, 0.0, 2.5 2.5, 0.0, 0.0, 0.0, 5.61797761917114 5.61797761917114, 0.0, 0.0, 7.0, 8.41421318054199, 0.0, 0.0, 0.0196872893720865, 10.0, 4.207106590271, 0.0, 0.0, 0.00226076738908887, 0.0, 0.0, 2.93877553939819, 0.0, 4.32192802429199, -0.0132690677419305, 3.12132024765015, 0.0, 0.0, 9.14285755157471, 5.62132024765015, 0.0, 0.0, 4.32809972763062, -0.00348744099028409, 0.70710676908493, 0.0, 0.0, 1.625, 0.0, 0.0, 0.00342542259022593, 0.0, 0.75, 0.0, 0.0, 0.0, 0.0, 1.125, 0.0, 6.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 639.02001953125, 0.0, 0.0, 0.0, 74.0, 0.0, 0.0, 0.0, 0.0, 50.5999984741211, 0.0, 2.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 127.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 22.2555065155029, 0.0, 18.4673233032227, 46.0, 909.141418457031, 0.0, 0.0, 0.0, 0.0, 9.11999607086182, 0.0, 27.3582820892334, 0.0, 954.89501953125, 0.0, 0.0, 5.18359327316284, 17.0187110900879, 0.0, 4.17999362945557, 0.0, 1181.5283203125, 2.0, 0.0, 7.30358934402466, 0.0, 6.0, 1.05999791622162, , 682.0400390625, 3.6516854763031, 0.0, 0.0, 544.869812011719, 1.68539321422577, 0.0, 6.0, 0.0, 0.0, 0.0, 2.52809000015259, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H12O2%2Fc1-9%282%2911%2812%2913-8-10-6-4-3-5-7-10%2Fh3-7H%2C1%2C8H2%2C2H3, 2.0, 1.31037068367004, , , , , 0.0, 1.0, 1.64011943340302 1.64011943340302, 0.429125070571899 0.429125070571899, , 1.18986868858337 1.18986868858337, 0.313521504402161 0.313521504402161, , 1.27373421192169 1.27373421192169, , 0.0, 0.0, 0.260930955410004 0.260930955410004, 0.0, 0.0, 14.0, 9.68179798126221, 0.0, , 0.268662869930267, 11.0769233703613, 6.19837713241577, 0.0, , -0.189448982477188, , 2.0, 5.671875, , 4.70043992996216, 0.101356007158756, 0.773159742355347, , , 4.15224933624268, 5.30268716812134, , 0.0, 0.5, -0.0470252819359303, 0.0, , , 3.89307284355164, , 1.93749153614044, 0.000549990742001683, 0.235702261328697, 2.30774211883545, 0.0, 2.78495335578918, 0.0, 1.0, 1.75152254104614, 0.0, 0.0, 1.0, 0.941583514213562, , , 0.0, , 0.563737988471985, 5.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 469.019989013672, 0.0320750139653683, 0.0, 0.0226804614067078, 163.0, , 1.0, , , 26.2999992370605, 0.0, 1.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 280.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, , , , 7.73231601715088, 5.0, , , 5.66530609130859, , , , 1.0, , 0.0, , 14.5489377975464, , 13.9962759017944, 58.0, 617.083984375, 0.0, 0.0, , 0.0, 7.61746168136597, , 17.7707443237305, 0.0, 654.369567871094, , 0.0, 4.06471395492554, 16.3246440887451, , 0.336294502019882, 0.5, 771.837951660156, , 0.0, 2.84206128120422, , 9.99627590179443, 0.0, , 647.779174804688, 1.56121611595154, , 0.0294627826660872, 440.771453857422, 0.846315920352936, , 1.0, , 0.0, 0.0, 0.511972844600677, , 0.0, , , 0.220041275024414, 0.0, , 0.100851751863956, 2.0, , 0.0, 
-InChI%3D1S%2FC2H3N%2Fc1-2-3%2Fh1H3, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.102838769555092, 3.0, 1.41421353816986, 0.0, 0.0, -0.0162379685789347, 0.0, 0.0, 2.0, 0.0, 2.58496260643005, -0.0351814180612564, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.0100002288818, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0, 0.0, 23.7900009155273, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 3.35998797416687, 0.0, 2.16618514060974, 6.0, 38.4209861755371, 0.0, 0.0, 0.0, 0.0, 1.94721364974976, 0.0, 1.16618525981903, 0.0, 25.9877109527588, 0.0, 0.0, 0.723606824874878, 0.0, 0.0, 0.0, 0.0, 11.6062726974487, 0.0, 0.0, 0.223606795072556, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC4H11NO%2Fc1-2-5-3-4-6%2Fh5-6H%2C2-4H2%2C1H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 4.8284273147583, 0.0, 0.0, 0.158862069249153, 6.0, 2.91421365737915, 0.0, 0.0, -0.0632346495985985, 0.0, 0.0, 5.0, 0.0, 3.58496260643005, -0.0640473663806915, 0.0, 0.0, 0.0, 5.33333349227905, 1.70710682868958, 0.0, 0.0, 0.0, 0.0677055940032005, 0.0, 0.0, 0.0, 0.95710676908493, 0.0, 1.31037068367004, -0.0153458695858717, 0.0, 0.5, 0.0, 0.0, 0.0, 3.0, 0.25, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 226.020004272461, 0.0, 0.0, 0.0, 38.0, 0.0, 0.0, 0.0, 0.0, 32.2599983215332, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 35.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.65096366405487, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.13445711135864, 0.0, 5.66446256637573, 18.0, 178.663284301758, 0.0, 0.0, 0.0, 0.0, 4.0685338973999, 0.0, 4.66446256637573, 0.0, 157.189636230469, 0.0, 0.0, 2.2304413318634, 3.55346608161926, 0.0, 0.0, 0.0, 123.331535339355, 0.0, 0.0, 1.07716023921967, 0.0, 2.33209204673767, 0.0, , 85.7261734008789, 0.538580119609833, 0.0, 0.0, 49.2192535400391, 0.255833625793457, 0.0, 1.0, 0.0, 0.0, 0.0, 0.079056940972805, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, 1.0, 0.965489387512207, , , , , 0.0, 2.0, 1.05047678947449 1.05047678947449, 0.259400397539139, , 1.38447082042694 1.38447082042694, 0.290459334850311, , 1.6854807138443, , 0.0, 0.0, 0.271665543317795, 0.0, 0.0, 11.0, 8.26758480072021, 0.0, , 0.223567694425583, 9.09090900421143, 5.18154048919678, 0.0, , -0.105715855956078, , 1.0, 4.13265323638916, , 4.45943164825439, 0.0160901062190533, 0.901047587394714, , , 3.26530623435974, 4.75544691085815, , , 0.0, -0.0116178514435887, 0.0, , , 2.94016623497009, , 0.894427180290222, -0.0537859573960304, 0.0, 2.23148417472839, 0.0, 1.14471423625946, 0.0, 0.0, 1.74555850028992, 0.0, 0.0, 0.75, 0.788991153240204, , , 0.0, , 0.532657027244568, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , , 290.029998779297, 0.0277777779847383, 0.0, 0.0248451996594667, 115.0, , 0.0, , , 52.8199996948242, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 166.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , , , 3.30192732810974, 6.0, , , 6.29469060897827, , , , 0.0, , 0.0, , 12.9089260101318, , 11.9965543746948, 50.0, 492.451721191406, 0.0, 0.0, , 0.0, 6.15104198455811, , 16.0482978820801, 0.142857149243355, 529.390014648438, , , 3.21579432487488, 12.3286466598511, , 0.249071195721626, 0.0, 645.596069335938, , , 2.17541480064392, , 9.16246128082275, 0.0, , 511.763366699219, 1.14061212539673, , 0.0, 331.091003417969, 0.71400249004364, , 1.0, , 0.0, , 0.431203037500381, , 0.0, , , 0.141808107495308, 0.0, , 0.0676819086074829, 1.0, , 0.0, 
-InChI%3D1S%2FC5H4BrNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H, 2.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 1.13807117938995 1.13807117938995, 0.544652760028839 0.544652760028839, 0.0, 1.04044008255005 1.04044008255005, 0.404314607381821 0.404314607381821, 0.0, 1.13807117938995 1.13807117938995, 0.0, 0.0, 0.0, 0.347976624965668 0.347976624965668, 0.0, 0.0, 8.0, 5.98312759399414, 0.0, 0.0, 0.182701244950294, 6.125, 3.80453038215637, 0.0, 0.0, -0.073107123374939, 0.0, 0.0, 2.51999998092651, 0.0, 4.0, -0.0586676821112633, 0.471404522657394, 0.0, 0.0, 1.48760330677032, 3.23902487754822, 0.0, 0.0, 0.0, 0.0627846419811249, 0.0, 0.0, 0.0, 2.54033637046814, 0.0, 0.0, -0.0223604589700699, 0.16666667163372, 1.50166130065918, 0.0, 0.0, 0.0, 0.0, 1.02437734603882, 0.0, 0.0, 0.333333343267441, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0833333358168602, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 88.0299987792969, 0.0215165745466948, 0.0, 0.0518802180886269, 54.0, 0.0, 0.0, 1.0, 0.0, 33.1199989318848, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 60.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, 0.0, 1.0, 0.0, 2.38110160827637, 3.0, 0.0, 0.0, 2.94168281555176, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 52.3925476074219, 0.0, 14.3171377182007, 36.0, 423.512176513672, 0.0, 0.0, 0.0, 0.0, 5.59043884277344, 0.0, 23.4074821472168, 0.0, 451.019592285156, 0.0, 0.0, 2.89273476600647, 28.2190704345703, 0.0, 0.284127235412598, 0.0, 534.815551757812, 0.0, 0.0, 2.06447649002075, 0.0, 7.9847674369812, 0.0, , 377.154235839844, 1.35039246082306, 0.0, 0.0566946715116501, 81.7845764160156, 0.627931296825409, 0.0, 0.0, 0.0, 0.0, 0.0, 0.344017654657364, 1.0, 0.0, 0.0, 0.0, 0.103760436177254, 0.0, 0.0, 0.0188982244580984, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H14%2Fc1-7%282%295-6-8%283%294%2Fh5-6H%2C1-4H3, 4.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.577350258827209 0.577350258827209, 0.333333343267441 0.333333343267441, 0.0, 0.333333343267441 0.333333343267441, 0.16666667163372 0.16666667163372, 0.0, 0.666666686534882 0.666666686534882, 0.0, 0.0, 0.0, 0.333333343267441 0.333333343267441, 0.0, 0.0, 5.0, 6.56891393661499, 0.0, 0.0, 0.00670999940484762, 8.0, 3.62589764595032, 0.0, 0.0, -0.00372301391325891, 0.0, 2.0, 3.9375, 0.0, 4.0, 0.00121886190026999, 0.816496610641479, 0.0, 0.0, 7.19999980926514, 3.3650438785553, 0.0, 0.0, 1.62865054607391, 0.000971426081378013, 0.0, 0.0, 0.0, 1.32136726379395, 0.0, 3.26598644256592, -0.0045738616026938, 0.0, 0.666666686534882, 0.0, 4.0, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 385.0, 0.0, 0.0, 0.0, 56.0, 0.0, 2.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 74.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 2.82842707633972, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 8.0, 0.0, 7.0, 30.0, 387.452789306641, 0.0, 0.0, 0.0, 0.0, 6.154700756073, 0.0, 8.0, 0.0, 369.910003662109, 0.0, 0.0, 2.91068363189697, 5.0, 0.0, 0.577350258827209, 0.0, 381.741851806641, 0.0, 0.0, 2.48803377151489, 0.0, 4.0, 0.0, , 248.440658569336, 0.75, 0.0, 0.0, 185.932998657227, 0.333333343267441, 0.0, 4.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H4ClNO2%2Fc7-5-2-1-3-6%284-5%298%289%2910%2Fh1-4H, 0.0, 0.5, , , , , 0.0, 2.0, 1.38960480690002 1.38960480690002, 0.387792229652405 0.387792229652405, , 1.52280783653259 1.52280783653259, 0.413243144750595 0.413243144750595, , 1.98179233074188 1.98179233074188, , 0.0, 0.0, 0.394697576761246 0.394697576761246, 0.0, 0.0, 11.0, 7.56047773361206, 0.0, , 0.107667833566666, 8.10000038146973, 4.69837713241577, 0.0, , 0.00154757336713374, , 0.0, 3.40828394889832, , 4.32192802429199, -0.0129320975393057, 0.788675129413605, 0.0, , 2.28571438789368, 4.27587413787842, , 0.0, 0.0, -0.0385814048349857, 0.0, , , 2.91976571083069, , 0.0, -0.0403765290975571, 0.16666667163372, 2.08652830123901, 0.0, 0.0, 0.0, 0.0, 1.57210290431976, 0.0, 0.0, 0.666666686534882, 0.603098630905151, , , 0.0, , 0.328532844781876, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 106.040000915527, 0.0277777779847383, 0.0, 0.043919637799263, 80.0, , 0.0, , , 45.8199996948242, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 117.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, , , 0.0, 3.53277564048767, 6.0, , , 5.11154460906982, , , , 0.0, , 0.0, , 19.6216793060303, , 13.2248544692993, 46.0, 441.793731689453, 0.0, 0.0, , 0.0, 5.70700454711914, , 18.6744976043701, 0.5, 482.695373535156, , 0.0, 2.97706913948059, 16.5642127990723, , 0.300785630941391, 0.0, 590.271484375, , 0.0, 2.17341661453247, , 12.8885631561279, 0.0, , 457.109893798828, 1.25411629676819, , 0.0124225998297334, 231.102996826172, 0.774217426776886, , 0.0, , 0.0, 0.0, 0.444135636091232, , 0.0, , , 0.147373199462891, 0.0, , 0.0402064956724644, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H8O%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5%2C8H%2C1H3, 1.0, 1.0, , , , , 0.0, 2.0, 1.13807117938995 1.13807117938995, 0.370301723480225 0.370301723480225, , 1.04044008255005 1.04044008255005, 0.283422887325287, , 1.13807117938995 1.13807117938995, , 0.0, 0.0, 0.246867805719376, 0.0, 0.0, 8.0, 5.98312759399414, 0.0, , 0.0752639174461365, 6.125, 3.80453038215637, 0.0, , -0.0240341164171696, , 0.0, 2.51999998092651, , 4.0, -0.0120530817657709, 0.471404522657394, , , 1.48760330677032, 3.23902487754822, , , 0.0, -0.00151115446351469, 0.0, , , 2.54033637046814, , 1.3731781244278, -3.36064622388221e-05, 0.16666667163372, 1.50166130065918, 0.0, 1.41421353816986, 0.0, 0.0, 1.02437734603882, 0.0, 0.0, 0.333333343267441, 0.333333343267441, , , 0.0, , 0.0833333358168602, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 200.009994506836, 0.0277777779847383, 0.0, 0.0402003787457943, 54.0, , 0.0, , , 20.2299995422363, 0.0, 1.0, 0.25, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 60.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, , , , 3.96540641784668, 5.0, , , 4.29827976226807, , , , 0.0, , 0.0, , 8.77446937561035, , 8.33209228515625, 36.0, 353.765655517578, 0.0, 0.0, , 0.0, 4.75661468505859, , 10.6641836166382, 0.0, 375.984771728516, , , 2.5509569644928, 8.99627590179443, , 0.208887293934822, 0.0, 449.103363037109, , 0.0, 1.78648662567139, , 2.33209204673767, 0.0, , 320.611419677734, 1.11545419692993, , 0.0372678004205227, 70.842643737793, 0.563420534133911, , 1.0, , 0.0, 0.0, 0.316696524620056, , 0.0, , , 0.0804007574915886, 0.0, , 0.0124225998297334, 0.0, , 0.0, 
-InChI%3D1S%2FC3H8O%2Fc1-2-3-4%2Fh4H%2C2-3H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 1.0, 3.41421365737915, 0.0, 0.0, 0.0834009945392609, 4.0, 1.91421353816986, 0.0, 0.0, -0.0336273908615112, 0.0, 0.0, 3.0, 0.0, 3.0, -0.00743216229602695, 0.0, 0.0, 0.0, 4.0, 1.0, 0.0, 0.0, 0.0, -0.000640946382191032, 0.0, 0.0, 0.0, 0.5, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 109.01000213623, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 4.77446889877319, 0.0, 3.33209204673767, 10.0, 87.9880981445312, 0.0, 0.0, 0.0, 0.0, 2.86142706871033, 0.0, 2.33209204673767, 0.0, 69.4745712280273, 0.0, 0.0, 1.52333450317383, 1.33209192752838, 0.0, 0.0, 0.0, 42.446346282959, 0.0, 0.0, 0.723606824874878, 0.0, 0.0, 0.0, , 16.7954387664795, 0.223606795072556, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC14H14NO4PS%2Fc1-2-18-20%2821%2C14-6-4-3-5-7-14%2919-13-10-8-12%289-11-13%2915%2816%2917%2Fh3-11H%2C2H2%2C1H3, 2.0, 0.793700516223907, , , , , 0.0, 3.0, 3.53393602371216 3.53393602371216, 2.84855675697327 2.84855675697327, , 5.15866756439209 5.15866756439209, 3.91697382926941 3.91697382926941, , 6.23670816421509 6.23670816421509, , 0.0, 0.0, 3.9967029094696 3.9967029094696, 0.0, 0.5, 31.0, 15.2946825027466, 0.0, , 0.341367572546005, 17.3553714752197, 10.0486602783203, 0.0, , -0.159194350242615, , 0.0, 8.0222225189209, , 5.39231729507446, 0.0731204971671104, 1.65104758739471, 0.0, , 4.73338222503662, 8.96791076660156, , 0.0, 0.0, -0.07601647824049, 0.144337564706802, , , 7.0010929107666, , 1.97431337833405, -0.0573308207094669, 0.442959606647491, 5.56196784973145, 0.0, 0.552604734897614, 0.0721687823534012, 1.0, 4.1058201789856, 0.0, 0.0, 0.833333313465118, 2.53899741172791, , , 0.0, , 1.70573842525482, 9.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 876.070007324219, 0.0598527938127518, 0.0, 0.0667959749698639, 371.0, , 0.0, , , 106.180000305176, 0.0, 0.0, 0.454545468091965, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 966.0, 0.0, 0.0, 0.185395404696465, 0.0, 0.158069118857384, , 0.0, 0.0, 11.9292469024658, 12.0, , , 9.7522668838501, , , , 0.0, , 0.0, , 36.2360305786133, , 36.2715911865234, 104.0, 1182.07861328125, 0.0, 0.0, , 0.0, 13.0498514175415, , 47.3038940429688, 0.5, 1356.44116210938, , 0.0, 8.93014526367188, 49.890811920166, , 1.45993661880493, 0.577350258827209, 1828.68017578125, , 0.0, 7.48734664916992, , 46.2367324829102, 0.136930644512177, , 1851.03491210938, 5.79678916931152, , 0.273297190666199, 1635.09558105469, 4.22482013702393, , 1.0, , 0.0456435456871986, 0.0, 2.48646640777588, , 0.0, , , 1.39725804328918, 0.0, , 0.860703647136688, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H8N2%2Fc7-5-3-1-2-4-6-8%2Fh1-4H2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.142857149243355, 0.0 0.0, 0.0, 0.0, 5.0, 6.24264049530029, 0.0, 0.0, 0.197031334042549, 8.0, 3.91421365737915, 0.0, 0.0, -0.0318293534219265, 0.0, 0.0, 7.0, 0.0, 4.0, -0.0521659031510353, 0.0, 0.0, 0.0, 7.19999980926514, 2.41421365737915, 0.0, 0.0, 0.0, 0.00860859267413616, 0.0, 0.0, 0.0, 1.45710682868958, 0.0, 0.0, 0.0197225213050842, 0.0, 0.853553414344788, 0.0, 0.0, 0.0, 4.0, 0.478553384542465, 0.0, 0.0, 0.75, 0.25, 0.0, 0.0, 0.0, 0.0, 0.125, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 169.020004272461, 0.0, 0.0, 0.0, 74.0, 0.0, 0.0, 0.0, 0.0, 47.5800018310547, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 84.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.47342491149902, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 8.7199764251709, 0.0, 7.33237028121948, 26.0, 244.528839111328, 0.0, 0.0, 0.0, 0.0, 4.72285413742065, 0.0, 6.33237028121948, 0.0, 227.976898193359, 0.0, 0.0, 2.65432047843933, 5.33237028121948, 0.0, 0.0, 0.0, 196.422775268555, 0.0, 0.0, 1.52333450317383, 0.0, 4.33237028121948, 0.0, , 154.321517944336, 0.827160179615021, 0.0, 0.0, 110.238548278809, 0.408113896846771, 0.0, 0.0, 0.0, 0.0, 0.0, 0.174303397536278, 0.0, 2.0, 0.0, 0.0, 0.0559016987681389, 2.0, 0.0, 0.0125000001862645, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.55258584022522 0.55258584022522, 0.439748793840408 0.439748793840408, 0.0, 0.594861328601837 0.594861328601837, 0.402236461639404 0.402236461639404, 0.0, 0.306186228990555 0.306186228990555, 0.0, 0.0, 0.0, 0.249767690896988 0.249767690896988, 0.0, 0.0, 8.0, 7.11288404464722, 0.0, 0.0, 0.0831926763057709, 9.0, 4.34606504440308, 0.0, 0.0, -0.0340108722448349, 0.0, 0.0, 6.125, 0.0, 4.16992521286011, -0.00637883879244328, 0.20412415266037, 0.0, 0.0, 4.5, 2.8247504234314, 0.0, 0.0, 0.16666667163372, -0.00116552773397416, 0.0, 0.0, 0.0, 2.12062644958496, 0.0, 3.60465431213379, -4.08006890211254e-05, 0.0, 1.18972265720367, 0.0, 0.70710676908493, 0.0, 5.0, 0.577350258827209, 0.0, 0.0, 1.0, 0.288675129413605, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 604.010009765625, 0.0, 0.0, 0.0, 74.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 104.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.61053943634033, 4.0, 0.0, 0.0, 3.49413561820984, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 9.77446937561035, 0.0, 8.33209228515625, 32.0, 391.716217041016, 0.0, 1.0, 0.0, 0.0, 6.56009769439697, 0.0, 8.33209228515625, 0.0, 381.131378173828, 0.0, 0.0, 3.95518612861633, 8.66418361663818, 0.0, 0.20412415266037, 0.0, 380.83154296875, 0.0, 0.0, 2.59907650947571, 0.0, 6.66418409347534, 0.0, , 334.722686767578, 1.8014749288559, 0.0, 0.0, 226.124649047852, 0.917309939861298, 0.0, 2.0, 0.0, 0.0, 0.0, 0.497562438249588, 1.0, 0.0, 0.0, 0.0, 0.208887293934822, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H14O%2Fc1-10%282%2C3%298-4-6-9%2811%297-5-8%2Fh4-7%2C11H%2C1-3H3, 3.0, 0.333333343267441, , , , , 1.0, 2.0, 2.27012991905212 2.27012991905212, 1.29831671714783 1.29831671714783, , 2.45670580863953 2.45670580863953, 1.22111892700195 1.22111892700195, , 2.49030327796936 2.49030327796936, , 0.0, 0.0, 0.997958481311798 0.997958481311798, 0.0, 0.0, 13.0, 8.48312759399414, 0.0, , 0.0754449218511581, 9.09090900421143, 4.99901866912842, 0.0, , -0.0237379856407642, , 0.0, 3.1640625, , 4.45943164825439, -0.0129380654543638, 1.7990380525589, 0.0, , 2.5, 5.32282114028931, , 0.0, 1.5, -0.00100556970573962, 0.288675129413605, , , 3.24060010910034, , 3.46410155296326, -4.02414443669841e-05, 0.433012694120407, 2.12610507011414, 0.0, 1.89736664295197, 0.144337564706802, 0.0, 1.52022004127502, 0.0, 3.0, 1.0, 1.10355341434479, , , 0.0, , 0.25, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 1.0, 515.010009765625, 0.0277777779847383, 0.0, 0.0263114888221025, 99.0, , 0.0, , , 20.2299995422363, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 1.0, , , 152.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.125, , , 0.0, 3.30192732810974, 5.0, , , 5.65685415267944, , , , 0.0, , 1.63299322128296, , 11.7744693756104, , 11.3320922851562, 54.0, 621.145935058594, 0.0, 0.0, , 0.0, 7.25661468505859, , 16.6641845703125, 0.0, 685.753173828125, , 0.0, 3.79497408866882, 13.6641836166382, , 1.40786898136139, 0.0, 913.033325195312, , 0.0, 3.79687404632568, , 8.33209228515625, 0.25, , 717.285095214844, 1.73333013057709, , 0.25, 406.163848876953, 0.961430132389069, , 3.0, , 0.0833333358168602, 0.0, 0.545080125331879, , 0.0, , , 0.308763951063156, 0.0, , 0.0833333358168602, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6HCl3N2O4%2Fc7-2-1-3%288%296%2811%2814%2915%294%289%295%282%2910%2812%2913%2Fh1H, 0.0, 6.08364343643188, , , , , 0.0, 5.0, 3.20506525039673 3.20506525039673, 1.28204202651978 1.28204202651978, , 6.35879898071289 6.35879898071289, 2.11044883728027 2.11044883728027, , 6.92584466934204 6.92584466934204, 0.0, 0.0, 0.0, 2.02230882644653 2.02230882644653, 0.0, 0.0, 25.0, 11.7485589981079, 0.0, , 0.309976428747177, 13.0666666030884, 6.85794830322266, 0.0, , 0.0712371617555618, , 0.0, 4.88842964172363, , 4.90689039230347, -0.069266676902771, 1.5527435541153, 0.0, , 2.57142853736877, 6.69212102890015, , 0.0, 0.0, -0.244723379611969, 0.0, , , 4.81154680252075, , 0.0, 0.0400769934058189, 0.507657110691071, 4.7221040725708, 0.0, 0.0, 0.0, 0.0, 2.00908374786377, 0.0, 0.0, 1.0, 1.81475341320038, 0.0, , 0.0, 4.0, 0.419026225805283, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, , 0.0, 46.0900001525879, 0.0180421955883503, 0.0, 0.0775112137198448, 141.0, , 0.0, , , 91.6399993896484, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 332.0, 0.0, 0.0, 0.0453609228134155, 0.0, 0.188461050391197, , 0.0, 0.0, 0.0, 6.0, 0.0, , 3.04182171821594, , 0.0, , 0.0, , 0.0, 0.0, 41.956111907959, , 23.4014472961426, 74.0, 870.779846191406, 0.0, 0.0, 0.0, 0.0, 9.00645065307617, , 37.2524719238281, 1.44224953651428, 1020.03991699219, , 0.0, 4.45570087432861, 49.8009910583496, , 0.655402481555939, 0.0, 1428.94458007812, , 0.0, 3.55799293518066, , 80.798454284668, 0.0, , 1462.1005859375, 2.42109251022339, , 0.155212968587875, 1044.51696777344, 1.94392800331116, , 0.0, , 0.0, 0.25, 0.683086752891541, 0.0, 0.0, , 0.0, 0.476093947887421, 0.0, , 0.0747336819767952, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H5ClO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 1.4182003736496 1.4182003736496, 0.476471155881882 0.476471155881882, , 1.83720648288727 1.83720648288727, 0.50006091594696 0.50006091594696, , 2.34755921363831 2.34755921363831, , 0.0, 0.0, 0.527648627758026 0.527648627758026, 0.0, 0.0, 12.0, 7.56047773361206, 0.0, , 0.25451734662056, 8.10000038146973, 4.73638200759888, 0.0, , -0.0616728328168392, , 0.0, 3.40828394889832, , 4.32192802429199, 0.00167034287005663, 0.6910440325737, 0.0, , 1.99111115932465, 4.06383609771729, , 0.0, 0.0, -0.0852982550859451, 0.0, , , 3.14904141426086, , 0.0, -0.0575808621942997, 0.117851130664349, 2.21913194656372, 0.0, 0.0, 0.0, 0.0, 1.67126762866974, 0.0, 0.0, 0.666666686534882, 0.587806642055511, , , 0.0, , 0.212378948926926, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 135.029998779297, 0.0240562614053488, 0.0, 0.0519244112074375, 80.0, , 0.0, , , 37.2999992370605, 1.0, 1.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 115.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.184195280075073, , , , 2.62074136734009, 5.0, , , 7.48569059371948, , , , 0.0, , 0.0, , 19.2616920471191, , 12.6159210205078, 46.0, 493.759979248047, 0.0, 0.0, , 0.0, 5.79875659942627, , 17.8997497558594, 0.25, 543.41748046875, , 0.0, 3.05296468734741, 17.5639343261719, , 0.336865305900574, 0.0, 679.777954101562, , 0.0, 2.2574245929718, , 12.674220085144, 0.0, , 553.189270019531, 1.35164141654968, , 0.0215165745466948, 257.094512939453, 0.800312936306, , 0.0, , 0.0, 0.0, 0.487526714801788, , 0.0, , , 0.152287214994431, 0.0, , 0.0286874156445265, 1.0, , 0.0, 
-InChI%3D1S%2FC6H14O2%2Fc1-5%287%294-6%282%2C3%298%2Fh5%2C7-8H%2C4H2%2C1-3H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.816496610641479 0.816496610641479, 0.477985411882401 0.477985411882401, 0.0, 2.04124140739441 2.04124140739441, 0.874321162700653 0.874321162700653, 0.0, 1.0206207036972 1.0206207036972, 0.0, 0.0, 0.0, 0.305048674345016 0.305048674345016, 0.0, 0.0, 5.0, 6.78445720672607, 0.0, 0.0, 0.149547442793846, 8.0, 3.41650223731995, 0.0, 0.0, -0.0315209329128265, 0.0, 0.0, 2.51999998092651, 0.0, 4.0, -0.0243212804198265, 1.96890842914581, 0.0, 0.0, 7.19999980926514, 4.15863132476807, 0.0, 0.0, 0.944940805435181, -0.0489218980073929, 0.353553384542465, 0.0, 0.0, 1.0206207036972, 0.0, 1.5, 0.0299903899431229, 0.0, 1.22474491596222, 0.0, 1.44224953651428, 0.0, 1.0, 0.0, 0.0, 2.0800838470459, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 385.019989013672, 0.0, 0.0, 0.0, 45.0, 0.0, 0.0, 0.0, 0.0, 40.4599990844727, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 66.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 9.54893779754639, 0.0, 7.66418409347534, 34.0, 313.785736083984, 0.0, 1.0, 0.0, 0.0, 5.67888402938843, 0.0, 11.6604595184326, 0.25, 315.332214355469, 0.0, 0.0, 2.82095766067505, 5.66418409347534, 0.0, 1.07596218585968, 0.0, 377.075439453125, 0.0, 0.0, 2.86557984352112, 0.0, 7.77074480056763, 0.15811388194561, , 197.464370727539, 0.794946610927582, 0.0, 0.0, 170.015045166016, 0.722934424877167, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H6Br4%2Fc9-7%2810%295-3-1-2-4-6%285%298%2811%2912%2Fh1-4%2C7-8H, 2.0, 3.96540641784668, , , , , 0.0, 2.0, 1.94267082214355 1.94267082214355, 3.34250426292419 3.34250426292419, , 2.74542021751404 2.74542021751404, 3.76210188865662 3.76210188865662, , 3.73111653327942 3.73111653327942, , 0.0, 0.0, 7.3593692779541 7.3593692779541, 0.0, 0.0, 16.0, 9.13782787322998, 0.0, , 0.118335634469986, 10.0833330154419, 5.6258978843689, 0.0, , -0.0654089227318764, , 0.0, 4.296875, , 4.58496236801147, 0.0229575634002686, 0.938832223415375, , , 2.49307489395142, 5.10020017623901, , 0.0, 0.0, 0.0159539636224508, 0.0, , , 3.58746767044067, , 0.0, -0.0821253806352615, 0.32772108912468, 2.84367418289185, 0.0, 0.0, 0.0, 0.0, 2.1034984588623, 0.0, 0.0, 0.666666686534882, 0.797948956489563, , , 0.0, , 0.412677943706512, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 192.039993286133, 0.0277777779847383, 0.0, 0.0320750139653683, 98.0, , 0.0, , , 0.0, 0.0, 2.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 188.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.0962250456213951, , , , 3.96540641784668, 4.0, , , 6.87156677246094, , , , 0.0, , 0.0, , 185.032363891602, , 34.6107025146484, 56.0, 1287.28576660156, 0.0, 2.0, , 0.0, 12.3199453353882, , 125.126884460449, 0.0, 1416.76000976562, , 0.0, 6.94027423858643, 61.2214050292969, , 2.39358901977539, 0.0, 1787.41027832031, , 0.0, 8.35054874420166, , 81.8321075439453, 0.0, , 1707.15209960938, 3.43921208381653, , 0.670634925365448, 1282.66845703125, 2.57613372802734, , 0.0, , 0.0, 0.0, 2.38648676872253, , 0.0, , , 0.534344255924225, 0.0, , 0.261235564947128, 0.0, , 0.0, 
-InChI%3D1S%2FC8H18O%2Fc1-3-5-7-9-8-6-4-2%2Fh3-8H2%2C1-2H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 6.0, 6.94974756240845, 0.0, 0.0, 0.167645782232285, 9.0, 4.41421365737915, 0.0, 0.0, -0.0912995636463165, 0.0, 0.0, 8.0, 0.0, 4.16992521286011, -0.00174596952274442, 0.0, 0.0, 0.0, 8.0, 2.76776695251465, 0.0, 0.0, 0.125, 0.00731924269348383, 0.0, 0.0, 0.0, 1.70710682868958, 0.0, 3.65134453773499, 0.00170192983932793, 0.0, 1.03033006191254, 0.0, 0.0, 0.0, 6.0, 0.603553414344788, 0.0, 0.0, 1.0, 0.338388353586197, 0.0, 0.0, 0.0, 0.0, 0.176776692271233, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 604.010009765625, 0.0, 0.0, 0.0, 96.0, 0.0, 0.0, 0.0, 0.0, 9.22999954223633, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 120.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.12046384811401, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 9.77446937561035, 0.0, 8.66418361663818, 30.0, 334.455200195312, 0.0, 0.0, 0.0, 0.0, 6.65088891983032, 0.0, 7.66418409347534, 0.0, 307.666778564453, 0.0, 0.0, 3.99156379699707, 6.66418409347534, 0.0, 0.0, 0.0, 268.514038085938, 0.0, 0.0, 2.31947922706604, 0.0, 5.66418409347534, 0.0, , 225.821853637695, 1.28445708751678, 0.0, 0.0, 184.786926269531, 0.594861328601837, 0.0, 2.0, 0.0, 0.0, 0.0, 0.348461717367172, 0.0, 0.0, 0.0, 0.0, 0.195368602871895, 0.0, 0.0, 0.102062076330185, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H14O%2Fc11-10-8-2-6-1-7%284-8%295-9%2810%293-6%2Fh6-9H%2C1-5H2, 0.0, 5.29611921310425, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.16212153434753 2.16212153434753, 1.51740801334381 1.51740801334381, 0.0, 3.5809805393219 3.5809805393219, 2.68967580795288 2.68967580795288, 0.0, 5.53957986831665 5.53957986831665, 0.0, 0.0, 0.0, 3.83268976211548 3.83268976211548, 0.0, 0.0, 16.0, 7.42228507995605, 0.0, 0.0, 0.117957569658756, 6.50887584686279, 5.32649993896484, 0.0, 0.0, -0.025341572239995, 0.0, 1.0, 2.02500009536743, 0.0, 4.45943164825439, -0.0262378212064505, 0.93403172492981, 0.0, 0.0, 0.816326558589935, 5.2898383140564, 0.0, 0.0, 0.0, -0.00696497270837426, 0.0, 0.0, 0.0, 4.69813776016235, 0.0, 0.0, -0.000417841045418754, 0.19245009124279, 4.19731521606445, 0.0, 0.0, 0.0, 5.0, 3.73612689971924, 0.0, 0.0, 0.666666686534882, 2.39275622367859, 0.0, 0.0, 0.0, 1.0, 1.64162373542786, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 619.010009765625, 0.232307806611061, 0.0, 0.503899335861206, 101.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 4.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 126.0, 0.0, 0.0, 0.247193872928619, 1.0, 0.617830872535706, 0.0, 0.0, 0.0, 4.35275268554688, 5.0, 0.0, 0.0, 13.6409406661987, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 11.7744693756104, 0.0, 13.3320922851562, 66.0, 735.814514160156, 0.0, 4.0, 0.0, 0.0, 6.75318336486816, 0.0, 20.6641845703125, 0.0, 905.466735839844, 0.0, 0.0, 4.86395740509033, 17.3283672332764, 0.0, 0.764964818954468, 0.0, 1353.38110351562, 0.0, 0.0, 4.70677804946899, 0.0, 5.66418409347534, 0.0, , 1026.94812011719, 3.94280910491943, 0.0, 0.0680413842201233, 285.347045898438, 3.64862942695618, 0.0, 0.0, 0.0, 0.0, 0.0, 3.05985927581787, 0.0, 0.0, 0.0, 0.0, 1.95335066318512, 0.0, 0.0, 1.23965048789978, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H7NO2.ClH%2Fc9-7%2810%296-8-4-2-1-3-5-8%3B%2Fh1-5H%2C6H2%3B1H, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.642228543758392 0.642228543758392, 0.318447262048721 0.318447262048721, 0.0, 1.04188847541809 1.04188847541809, 0.342844903469086 0.342844903469086, 0.0, 1.09341299533844 1.09341299533844, 0.0, 0.0, 0.0, 0.257659107446671 0.257659107446671, 0.0, 0.0, 9.0, 7.39734125137329, 0.0, 0.0, 0.380399882793427, 11.0, 4.7876935005188, 0.0, 0.0, -0.199464559555054, 0.0, 1.0, 5.625, 0.0, 4.45943164825439, -0.108492955565453, 0.61237245798111, 1.0, 0.0, 4.44444465637207, 4.13358497619629, 0.0, 0.0, 0.0, 0.192170277237892, 0.0, 0.0, 0.0, 2.5294828414917, 0.0, 0.0, -0.0569314360618591, 0.0, 2.08950853347778, 0.0, 0.0, 0.0, 1.0, 1.45456779003143, 0.0, 0.0, 999.0009765625, 0.595522046089172, 0.0, 0.0, 0.0, 1.0, 0.319035589694977, 5.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 251.039993286133, 0.0523782782256603, 0.0, 0.0370370373129845, -1474836480.0, 0.0, 0.0, 0.0, 0.0, 40.1300010681152, 0.0, 0.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10000000000.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, 0.0, 1.0, 0.0, 7.73231601715088, 3.0, 0.0, 0.0, 2.00414514541626, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 20.6216793060303, 0.0, 11.1627397537231, 44.0, 384.123138427734, 0.0, 0.0, 0.0, 0.0, 6.54334783554077, 0.0, 13.9372091293335, 0.5, 403.256988525391, 0.0, 0.0, 3.41117024421692, 10.2731170654297, 0.0, 0.19245009124279, 0.0, 471.110229492188, 0.0, 0.0, 2.49352622032166, 0.0, 8.32836818695068, 0.0, , 354.544067382812, 1.6868462562561, 0.0, 0.0, 213.443450927734, 1.06851434707642, 0.0, 0.0, 0.0, 0.0, 0.0, 0.632248282432556, 0.0, 0.0, 0.0, 0.0, 0.18358501791954, 0.0, 0.0, 0.0632261782884598, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H5Cl3O%2Fc1-4%2812%295-2-3-6%289%298%2811%297%285%2910%2Fh2-3H%2C1H3, 1.0, 5.67623996734619, , , , , 0.0, 4.0, 2.73249387741089 2.73249387741089, 1.59148192405701 1.59148192405701, , 3.65220069885254 3.65220069885254, 1.86304497718811 1.86304497718811, , 4.5040488243103 4.5040488243103, , 0.0, 0.0, 2.01121258735657 2.01121258735657, 0.0, 0.0, 18.0, 9.30096530914307, 0.0, , 0.263634711503983, 10.0833330154419, 5.53658103942871, 0.0, , -0.0313687138259411, , 1.0, 3.80622839927673, , 4.58496236801147, -0.0865208059549332, 1.09001851081848, 0.0, , 2.04081630706787, 5.180739402771, , 0.0, 0.0, -0.0290437769144773, 0.0, , , 4.21390581130981, , 0.577350258827209, -0.00178506725933403, 0.461844056844711, 2.82970356941223, 0.0, 1.91925978660583, 0.0, 0.0, 1.69728994369507, 0.0, 0.0, 1.0, 1.07184708118439, , , 0.0, 1.0, 0.382597297430038, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 157.039993286133, 0.020833333954215, 0.0, 0.0812850072979927, 106.0, , 0.0, , , 17.0699996948242, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 185.0, 0.0, 0.0, 0.0555555559694767, 1.0, 0.198741674423218, , 0.0, 0.0, 1.0, 5.0, , , 5.08567523956299, , 0.0, , 0.0, , 0.0, , 35.9127311706543, , 18.1873035430908, 58.0, 839.675109863281, 0.0, 0.0, 0.0, 0.0, 8.46462917327881, , 29.3746089935303, 0.0, 951.560607910156, , 0.0, 4.31564807891846, 47.7518539428711, , 0.621367633342743, 0.0, 1275.64880371094, , 0.0, 3.44222593307495, , 33.0676116943359, 0.0, , 1187.52648925781, 2.70807790756226, , 0.243524208664894, 657.121887207031, 1.4663097858429, , 1.0, , 0.0, 0.0, 0.726183891296387, 0.0, 0.0, , , 0.410944193601608, 0.0, , 0.127988070249557, 0.0, 0.0, 0.0, 
-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, 0.0, 3.14734530448914, , , , , 0.0, 3.0, 1.87561523914337 1.87561523914337, 0.489169985055923 0.489169985055923, , 2.97497844696045 2.97497844696045, 0.573345720767975 0.573345720767975, , 3.57279539108276 3.57279539108276, , 0.0, 0.0, 0.55139684677124 0.55139684677124, 0.0, 0.0, 21.0, 11.3804693222046, 0.0, , 0.227246761322021, 12.4567470550537, 7.7708568572998, 0.0, , -0.096268817782402, , 1.0, 6.07438039779663, , 5.0, 0.0189494118094444, 0.811611413955688, 0.0, , 3.49519896507263, 6.64261770248413, , 0.0, 0.0, -0.110300146043301, 0.0, , , 5.33859014511108, , 0.0, 0.0958635434508324, 0.19245009124279, 4.31372308731079, 0.0, 0.0, 0.0, 0.0, 3.08332085609436, 0.0, 0.0, 0.800000011920929, 1.59447717666626, , , 0.0, , 0.992761492729187, 9.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 544.030029296875, 0.0598527938127518, 0.0, 0.0406558699905872, 238.0, , 0.0, , , 52.8199996948242, 0.0, 1.0, 0.444444447755814, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 459.0, 0.0, 0.0, 0.185395404696465, 0.0, 0.203614637255669, , , , 10.1548261642456, 11.0, , , 11.4499855041504, , , , 0.0, , 0.0, , 17.9089260101318, , 17.9965553283691, 78.0, 886.784606933594, 0.0, 0.0, , 0.0, 8.53779315948486, , 24.0482978820801, 0.25, 994.983459472656, , 0.0, 4.8824610710144, 23.6572933197021, , 0.261254101991653, 0.0, 1272.59228515625, , 0.0, 3.28810834884644, , 20.4869499206543, 0.0, , 1175.03601074219, 2.13614797592163, , 0.0330676548182964, 901.506713867188, 1.3477668762207, , 0.0, , 0.0, 0.0, 0.817752182483673, , 0.0, , , 0.30809023976326, 0.0, , 0.158401027321815, 1.0, , 0.0, 
-InChI%3D1S%2FC12H8ClNO3%2Fc13-9-5-7-10%288-6-9%2917-12-4-2-1-3-11%2812%2914%2815%2916%2Fh1-8H, 0.0, 2.10257887840271, , , , , 0.0, 4.0, 2.23192000389099 2.23192000389099, 0.648405492305756 0.648405492305756, , 3.14892601966858 3.14892601966858, 0.692980468273163 0.692980468273163, , 4.09240627288818 4.09240627288818, , 0.0, 0.0, 0.735280394554138 0.735280394554138, 0.0, 0.0, 23.0, 12.2507123947144, 0.0, , 0.278544008731842, 13.4320983886719, 8.16470336914062, 0.0, , -0.0590477026998997, , 0.0, 6.25, , 5.08746290206909, -0.0962091162800789, 1.12888205051422, 0.0, , 3.72889423370361, 7.3140082359314, , 0.0, 0.0, -0.0473708882927895, 0.0, , , 5.59568738937378, , 0.0, 0.0553323477506638, 0.20412415266037, 4.39962244033813, 0.0, 0.0, 0.0, 0.0, 3.56419587135315, 0.0, 0.0, 0.800000011920929, 2.04442381858826, , , 0.0, , 1.28978502750397, 8.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 404.049987792969, 0.0555555559694767, 0.0, 0.0666000992059708, 255.0, , 0.0, , , 55.0499992370605, 0.0, 0.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 538.0, 0.0, 0.0, 0.16666667163372, 0.0, 0.249296993017197, , 0.0, 0.0, 8.5731258392334, 12.0, , , 11.7915306091309, , , , 0.0, , 0.0, , 27.3961486816406, , 21.8890380859375, 84.0, 911.908203125, 0.0, 0.0, , 0.0, 9.42465400695801, , 31.0028667449951, 0.5, 1031.66455078125, , 0.0, 5.21266746520996, 30.4460468292236, , 0.417766720056534, 0.5, 1341.6640625, , 0.0, 3.71725249290466, , 24.8255977630615, 0.0, , 1241.10119628906, 2.35537528991699, , 0.0259728021919727, 951.216979980469, 1.44989538192749, , 0.0, , 0.0, 0.0, 0.975395083427429, , 0.0, , , 0.408461213111877, 0.0, , 0.200819447636604, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC8H12O2%2Fc1-8%282%294-6%289%293-7%2810%295-8%2Fh3-5H2%2C1-2H3, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.60760700702667 1.60760700702667, 1.05767750740051 1.05767750740051, 0.0, 3.65504050254822 3.65504050254822, 1.76817452907562 1.76817452907562, 0.0, 3.25038290023804 3.25038290023804, 0.0, 0.0, 0.0, 1.38781821727753 1.38781821727753, 0.0, 0.0, 11.0, 7.77602100372314, 0.0, 0.0, 0.252472996711731, 8.10000038146973, 4.49480056762695, 0.0, 0.0, -0.029980780556798, 0.0, 2.0, 2.55999994277954, 0.0, 4.32192802429199, -0.0653560981154442, 1.78445708751678, 0.0, 0.0, 2.28571438789368, 5.01850748062134, 0.0, 0.0, 0.5, -0.0790695771574974, 0.25, 0.0, 0.0, 2.60683298110962, 0.0, 2.38110160827637, 0.0481699630618095, 0.0, 2.82353281974792, 0.0, 1.33333337306976, 0.0, 3.0, 1.02022004127502, 0.0, 2.0, 0.333333343267441, 0.888071179389954, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 394.019989013672, 0.0441941730678082, 0.0, 0.124472737312317, 70.0, 0.0, 0.0, 0.0, 0.0, 34.1399993896484, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 109.0, 0.0, 0.0, 0.0589255653321743, 2.0, 0.235702261328697, 0.0, 0.0, 0.0, 1.5, 3.0, 0.0, 0.0, 4.1601676940918, 0.0, 0.0, 0.0, 0.0, , 2.0800838470459, 0.0, 11.5489377975464, 0.0, 10.6641836166382, 50.0, 498.187194824219, 0.0, 0.0, 0.0, 0.0, 6.43781709671021, 0.0, 16.3283672332764, 0.25, 555.959594726562, 0.0, 0.0, 3.52956867218018, 12.3283681869507, 0.0, 1.4112309217453, 0.0, 757.670166015625, 0.0, 0.0, 3.7718939781189, 0.0, 11.7670211791992, 0.25, , 523.470153808594, 1.74578189849854, 0.0, 0.0, 307.235656738281, 1.47492706775665, 0.0, 2.0, 0.0, 0.0, 0.0, 0.617227137088776, 0.0, 0.0, 0.0, 0.0, 0.361424207687378, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC17H18O2%2Fc1-17%282%2C3%2914-7-9-15%2810-8-14%2919-16-6-4-5-13%2811-16%2912-18%2Fh4-12H%2C1-3H3, 3.0, 1.74020218849182, , , , , 1.07456994056702, 4.0, 3.11476063728333 3.11476063728333, 1.575115442276 1.575115442276, , 3.9630823135376 3.9630823135376, 1.60090887546539 1.60090887546539, , 4.35696125030518 4.35696125030518, , 0.0, 0.0, 1.37719345092773 1.37719345092773, 0.0, 0.0, 26.0, 13.8804693222046, 0.0, , 0.290812760591507, 15.3900003433228, 8.98651313781738, 0.0, , -0.110439784824848, , 0.0, 6.63520431518555, , 5.24792766571045, -0.0310250259935856, 2.12273550033569, 0.0, , 4.5, 8.62628173828125, , 0.0, 1.5, 0.0017357433680445, 0.288675129413605, , , 6.20692682266235, , 4.59843301773071, -0.0926549136638641, 0.433012694120407, 4.72275590896606, 0.0, 2.39522385597229, 0.144337564706802, 0.0, 3.60732364654541, 0.0, 3.0, 0.833333313465118, 2.41494607925415, 0.0, , 0.0, 1.0, 1.60863292217255, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 1102.02001953125, 0.0555555559694767, 0.0, 0.0526068583130836, 339.0, , 0.0, , , 26.2999992370605, 1.0, 2.0, 0.454545468091965, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 1.0, , , 784.0, 0.0, 0.0, 0.16666667163372, 0.0, 0.218443363904953, , 0.0, 0.0, 10.4966163635254, 10.0, 0.0, , 13.3479442596436, , 0.0, , 0.0, , 1.91039526462555, 1.0, 20.5489387512207, , 20.9962768554688, 96.0, 1156.4736328125, 0.0, 0.0, 0.0, 0.0, 11.5126485824585, , 29.6604595184326, 0.0, 1308.97241210938, , 0.0, 6.32536029815674, 27.9925518035889, , 1.56564116477966, 0.200000002980232, 1755.94458007812, , 0.0, 5.56678056716919, , 22.6604595184326, 0.25, , 1590.72741699219, 2.95021891593933, , 0.25, 1239.00732421875, 1.81040227413177, , 3.0, , 0.0833333358168602, 0.0, 1.09535574913025, 0.0, 0.0, , , 0.592442750930786, 0.0, , 0.3103968501091, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC8H10O%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6%2C9H%2C2H2%2C1H3, 1.0, 0.333333343267441, , , , , 0.0, 2.0, 0.901047587394714 0.901047587394714, 0.340000182390213 0.340000182390213, , 0.937443673610687 0.937443673610687, 0.311286211013794 0.311286211013794, , 1.06903564929962 1.06903564929962, , 0.0, 0.0, 0.257157266139984 0.257157266139984, 0.0, 0.0, 9.0, 6.69023466110229, 0.0, , 0.0754449218511581, 7.11111116409302, 4.3256983757019, 0.0, , -0.0237379856407642, , 0.0, 3.23966932296753, , 4.16992521286011, -0.0129380654543638, 0.492799282073975, , , 2.0, 3.53414583206177, , 0.0, 0.0, -0.00100556772667915, 0.0, , , 2.7127788066864, , 1.85053586959839, -4.02387158828788e-05, 0.0, 1.73736357688904, 0.0, 0.63245552778244, 0.0, 1.0, 1.37377345561981, 0.0, 0.0, 1.0, 0.686886727809906, , , 0.0, , 0.117851130664349, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 289.010009765625, 0.0277777779847383, 0.0, 0.0320644564926624, 77.0, , 0.0, , , 20.2299995422363, 0.0, 1.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 90.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , , , 4.88359355926514, 6.0, , , 6.59753942489624, , , , 0.0, , 0.0, , 9.77446937561035, , 9.33209228515625, 40.0, 420.4736328125, 0.0, 0.0, , 0.0, 5.46372127532959, , 11.6641836166382, 0.0, 446.806182861328, , 0.0, 3.1056342124939, 9.66418361663818, , 0.192386731505394, 0.0, 530.289916992188, , 0.0, 2.02000045776367, , 4.33209180831909, 0.0, , 405.135162353516, 1.34458863735199, , 0.0, 163.543014526367, 0.731650173664093, , 1.0, , 0.0, 0.0, 0.448296964168549, , 0.0, , , 0.184874922037125, 0.0, , 0.039283711463213, 0.0, , 0.0, 
-InChI%3D1S%2FC7H11ClO4%2Fc1-3-11-6%289%295%288%297%2810%2912-4-2%2Fh5H%2C3-4H2%2C1-2H3, 4.0, 2.38110160827637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.73396909236908 1.73396909236908, 0.492524087429047 0.492524087429047, 0.0, 2.07702302932739 2.07702302932739, 0.422097533941269 0.422097533941269, 0.0, 2.26467275619507 2.26467275619507, 0.0, 0.0, 0.0, 0.411610573530197 0.411610573530197, 0.0, 0.25, 14.0, 9.56047821044922, 0.0, 0.0, 0.64945262670517, 12.0, 5.62942743301392, 0.0, 0.0, -0.289221823215485, 0.0, 2.0, 6.50887584686279, 0.0, 4.58496236801147, -0.0827962681651115, 0.663854598999023, 0.0, 0.0, 4.59183692932129, 4.3910346031189, 0.0, 0.0, 0.125, -0.155701458454132, 0.0, 0.0, 0.0, 3.28317070007324, 0.0, 1.51185786724091, 0.366990983486176, 0.272165536880493, 1.9973076581955, 0.0, 1.53261888027191, 0.0, 2.0, 0.854316294193268, 0.0, 0.0, 1.0, 0.376645386219025, 0.0, 0.0, 0.0, 2.0, 0.0962250456213951, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 352.049987792969, 0.0, 0.0, 0.0, 127.0, 0.0, 0.0, 0.0, 0.0, 52.5999984741211, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 219.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.16666667163372, 1.0, 0.0, 0.0, 2.0800838470459, 1.0, 0.0, 0.0, 0.0, , 0.0, 2.0, 22.8106288909912, 0.0, 14.9442892074585, 48.0, 462.749389648438, 0.0, 1.0, 0.0, 0.0, 7.75845050811768, 0.0, 20.4449653625488, 0.25, 476.337036132812, 0.0, 0.0, 4.04006433486938, 27.720495223999, 0.0, 0.259888470172882, 1.41421353816986, 543.85498046875, 0.0, 0.0, 2.30308771133423, 0.0, 19.6655349731445, 0.0, , 523.922790527344, 1.34341764450073, 0.0, 0.0545544736087322, 408.977111816406, 0.653058409690857, 0.0, 2.0, 0.0, 0.0, 0.0, 0.340356945991516, 0.0, 0.0, 0.0, 0.0, 0.08006951212883, 0.0, 0.0, 0.0240562614053488, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H8N2%2Fc3-1-2-4%2Fh1-4H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.333333343267441, 0.0 0.0, 0.0, 0.0, 1.0, 3.41421365737915, 0.0, 0.0, 0.0673389583826065, 4.0, 1.91421353816986, 0.0, 0.0, -0.0168347395956516, 0.0, 0.0, 3.0, 0.0, 3.0, -0.0336694791913033, 0.0, 0.0, 0.0, 4.0, 1.0, 0.0, 0.0, 0.0, 0.0168347395956516, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 109.019996643066, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.0, 0.0, 52.0400009155273, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 4.71997594833374, 0.0, 3.33237051963806, 10.0, 99.7112579345703, 0.0, 0.0, 0.0, 0.0, 2.56891417503357, 0.0, 2.33237051963806, 0.0, 79.0205688476562, 0.0, 2.0, 1.31649661064148, 1.35998809337616, 0.0, 0.0, 0.0, 48.6549606323242, 0.0, 0.0, 0.577350258827209, 0.0, 0.0, 0.0, , 19.4900169372559, 0.16666667163372, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh2-3H%2C1H2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 1.0, 3.41421365737915, 0.0, 0.0, 0.137713983654976, 4.0, 1.91421353816986, 0.0, 0.0, -0.0556201115250587, 0.0, 0.0, 3.0, 0.0, 3.0, -0.0122001171112061, 0.0, 0.0, 0.0, 4.0, 1.0, 0.0, 0.0, 0.0, -0.00103676482103765, 0.0, 0.0, 0.0, 0.5, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 37.0099983215332, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 2.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, , 0.0, 0.0, 4.77446889877319, 0.0, 3.33209204673767, 10.0, 81.6017379760742, 0.0, 0.0, 0.0, 0.0, 2.27005553245544, 0.0, 2.33209204673767, 0.0, 64.2808227539062, 0.0, 0.0, 0.977283895015717, 1.33209192752838, 0.0, 0.0, 0.0, 38.6713829040527, 0.0, 0.0, 0.371785014867783, 0.0, 0.0, 0.0, , 14.9384889602661, 0.0962250456213951, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H13N3O3S%2Fc1-8-7%2812%2913-9-5%2814-4%296%2811%2910%282%293%2Fh1-4H3%2C%28H%2C8%2C12%29, 0.0, 1.31037068367004, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.22305798530579 2.22305798530579, 0.739745199680328 0.739745199680328, 0.0, 2.19790649414062 2.19790649414062, 0.80246776342392 0.80246776342392, 0.0, 2.36686515808105 2.36686515808105, 0.0, 0.0, 0.0, 0.786946952342987 0.786946952342987, 0.0, 0.0, 17.0, 11.13782787323, 0.0, 0.0, 0.500825941562653, 14.0, 6.52327442169189, 0.0, 0.0, -0.35731640458107, 0.0, 3.0, 7.3125, 0.0, 4.80735492706299, 0.0755857601761818, 0.981125235557556, 0.0, 0.0, 5.48096895217896, 5.36223173141479, 0.0, 0.0, 1.13008189201355, 0.117517948150635, 0.0, 0.0, 0.0, 4.04669427871704, 0.0, 0.0, -0.0335905402898788, 0.288675129413605, 2.08585000038147, 0.0, 3.5361020565033, 0.0, 0.0, 1.21754932403564, 0.0, 0.0, 1.0, 0.722775995731354, 0.0, 0.0, 0.0, 1.0, 0.380336970090866, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 494.070007324219, 0.0, 0.0, 0.0, 161.0, 0.0, 0.0, 0.0, 0.0, 99.7900009155273, 0.0, 0.0, 0.5, 0.0, 0.333333343267441, 2.0, 0.0, 0.0, 0.0, 0.471404522657394, 0.0, 0.0, 0.0, 337.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 1.0, 23.5311241149902, 0.0, 18.8864231109619, 58.0, 718.696838378906, 0.0, 0.0, 0.0, 0.0, 9.33009624481201, 0.0, 23.3808555603027, 0.16666667163372, 746.991577148438, 0.0, 0.0, 4.91400766372681, 27.8798160552979, 0.0, 0.447005808353424, 0.70710676908493, 879.05810546875, 1.0, 0.0, 3.19255828857422, 0.0, 22.164493560791, 0.0, , 869.51220703125, 1.8198299407959, 0.0, 0.0706435441970825, 706.517272949219, 0.94701474905014, 0.0, 4.0, 0.0, 0.0, 0.0, 0.480935782194138, 1.0, 0.0, 0.0, 0.0, 0.123080663383007, 0.0, 0.0, 0.0519884414970875, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H10ClNO%2Fc14-10-7-5-9%286-8-10%2913%2816%2911-3-1-2-4-12%2811%2915%2Fh1-8H%2C15H2, 0.0, 4.32963848114014, , , , , 0.0, 4.0, 2.43880081176758 2.43880081176758, 0.832473039627075 0.832473039627075, , 3.51687669754028 3.51687669754028, 0.920912444591522 0.920912444591522, , 4.66897916793823 4.66897916793823, , 0.0, 0.0, 1.03374695777893 1.03374695777893, 0.0, 0.0, 23.0, 11.5436058044434, 0.0, , 0.188762947916985, 12.4567470550537, 7.68154048919678, 0.0, , -0.0388695523142815, , 1.0, 5.55765581130981, , 5.0, -0.0287047419697046, 1.0195769071579, 0.0, , 3.02972650527954, 6.80466413497925, , 0.0, 0.0, -0.0370303988456726, 0.0, , , 5.65725517272949, , 0.0, 0.0259053688496351, 0.271017521619797, 4.28728103637695, 0.0, 0.0, 0.0, 0.0, 3.27055549621582, 0.0, 0.0, 0.800000011920929, 1.88617920875549, , , 0.0, , 1.00756800174713, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 489.029998779297, 0.0555555559694767, 0.0, 0.0753123238682747, 232.0, , 0.0, , , 43.0900001525879, 0.0, 2.0, 0.444444447755814, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 441.0, 0.0, 0.0, 0.16666667163372, 1.0, 0.262891709804535, , 0.0, 0.0, 8.5731258392334, 10.0, , , 14.7861557006836, , 0.0, , 0.0, , 0.0, , 24.8472099304199, , 19.4500141143799, 80.0, 1021.55822753906, 0.0, 0.0, 0.0, 0.0, 9.23829460144043, , 27.9000301361084, 0.0, 1163.11999511719, , 1.0, 5.20846366882324, 28.7303981781006, , 0.478848725557327, 0.0, 1537.06799316406, , 0.0, 3.85970330238342, , 22.1659412384033, 0.0, , 1458.01171875, 2.56380248069763, , 0.0557979978621006, 1092.20971679688, 1.58654379844666, , 0.0, , 0.0, 0.0, 1.07518696784973, 0.0, 0.0, , , 0.499836266040802, 0.0, , 0.233091965317726, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.333333343267441, 3.0, 4.24264049530029, 0.0, 0.0, 0.363465756177902, 4.16666650772095, 3.0, 0.0, 0.0, -0.181732878088951, 0.0, 0.0, 2.22222232818604, 0.0, 3.58496260643005, -0.181732878088951, 0.0, 0.0, 0.0, 1.33333337306976, 2.12132024765015, 0.0, 0.0, 0.0, 0.181732878088951, 0.0, 0.0, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.0, 4.0, 0.75, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 166.020004272461, 0.0416666679084301, 0.0, 0.0, 36.0, 0.0, 0.0, 0.0, 0.0, 18.4599990844727, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.0, 0.0, 0.0, 0.125, 0.0, 0.0, 0.0, 0.0, 0.0, 3.30192732810974, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 2.0, 7.54893827438354, 0.0, 7.32836771011353, 24.0, 169.214233398438, 0.0, 0.0, 0.0, 0.0, 3.6449236869812, 0.0, 7.32836771011353, 0.0, 169.141845703125, 0.0, 0.0, 2.15470051765442, 3.77446913719177, 0.0, 0.0, 0.0, 169.141845703125, 0.0, 0.0, 1.22474491596222, 0.0, 0.0, 0.0, , 84.6071166992188, 0.744016945362091, 0.0, 0.0, 0.0, 0.439826399087906, 0.0, 0.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H12N2O2S%2Fc1-3-9-6%2811%295-7%2812%2910%284-2%298%289%2913%2Fh3-5H2%2C1-2H3, 4.0, 1.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.53813362121582 2.53813362121582, 1.11489295959473 1.11489295959473, 0.0, 4.45027303695679 4.45027303695679, 1.69744086265564 1.69744086265564, 0.0, 5.09907817840576 5.09907817840576, 0.0, 0.0, 0.0, 1.60666680335999 1.60666680335999, 0.0, 0.0, 21.0, 10.0080718994141, 0.0, 0.0, 0.38701993227005, 11.0769233703613, 6.11259078979492, 0.0, 0.0, -0.213902652263641, 0.0, 3.0, 4.48148155212402, 0.0, 4.70043992996216, 0.154560446739197, 0.936020135879517, 0.0, 0.0, 2.08333325386047, 5.19359254837036, 0.0, 0.0, 0.16666667163372, -0.3128522336483, 0.0, 0.0, 0.0, 4.4988751411438, 0.0, 2.21041893959045, 0.224781602621078, 0.349584937095642, 3.83826065063477, 0.0, 1.68686532974243, 0.0, 3.0, 1.82857739925385, 0.0, 0.0, 1.0, 1.32906639575958, 0.0, 0.0, 0.0, 2.0, 0.335167527198792, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 469.049987792969, 0.0176776703447104, 0.0, 0.0610843934118748, 119.0, 1.0, 0.0, 0.0, 0.0, 72.7099990844727, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 228.0, 0.0, 0.0, 0.0453609228134155, 0.0, 0.200232788920403, 0.0, 0.0, 0.0, 0.908560276031494, 1.0, 0.0, 0.0, 4.30176639556885, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 21.3966674804688, 0.0, 16.3310813903809, 62.0, 871.670166015625, 0.0, 0.0, 0.0, 0.0, 8.55698871612549, 0.0, 25.0227737426758, 0.25, 989.142395019531, 0.0, 0.0, 4.66882371902466, 30.3364334106445, 0.0, 0.40968781709671, 0.0, 1338.80822753906, 0.0, 0.0, 3.10049414634705, 0.0, 30.0001106262207, 0.0, , 1355.60241699219, 2.43959522247314, 0.0, 0.132246091961861, 862.436950683594, 1.7643529176712, 0.0, 2.0, 0.0, 0.0, 0.5, 0.712603032588959, 0.0, 0.0, 0.0, 0.0, 0.408052653074265, 0.0, 0.0, 0.126180171966553, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H7N%2Fc1-6-3-2-4-7-5-6%2Fh2-5H%2C1H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.40824830532074 0.40824830532074, 0.17076064646244 0.17076064646244, 0.0, 0.433012694120407 0.433012694120407, 0.141621857881546 0.141621857881546, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0, 0.0, 0.099380798637867 0.099380798637867, 0.0, 0.0, 5.0, 5.11288404464722, 0.0, 0.0, 0.063943512737751, 5.14285707473755, 3.3938467502594, 0.0, 0.0, -0.0353187918663025, 0.0, 0.0, 2.34375, 0.0, 3.80735492706299, 0.000924002146348357, 0.288675129413605, 0.0, 0.0, 1.5, 2.74318218231201, 0.0, 0.0, 0.0, 0.00229194154962897, 0.0, 0.0, 0.0, 1.89384686946869, 0.0, 1.51967132091522, 0.000131089851493016, 0.0, 1.30671286582947, 0.0, 1.0, 0.0, 0.0, 0.901047587394714, 0.0, 0.0, 0.333333343267441, 0.20412415266037, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 154.009994506836, 0.0248451996594667, 0.0, 0.0248451996594667, 45.0, 0.0, 0.0, 0.0, 0.0, 12.8900003433228, 0.0, 1.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 42.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.102062076330185, 0.0, 1.0, 0.0, 3.53277564048767, 2.0, 0.0, 0.0, 2.55577230453491, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 7.35998821258545, 0.0, 7.33237028121948, 30.0, 289.200286865234, 0.0, 0.0, 0.0, 0.0, 4.25661468505859, 0.0, 8.33237075805664, 0.0, 297.859436035156, 0.0, 0.0, 2.26041460037231, 5.33237028121948, 0.0, 0.16666667163372, 0.0, 330.921539306641, 0.0, 0.0, 1.53037548065186, 0.0, 1.0, 0.0, , 198.001373291016, 0.809419989585876, 0.0, 0.0, 34.5189247131348, 0.448139190673828, 0.0, 1.0, 0.0, 0.0, 0.0, 0.235137492418289, 0.0, 0.0, 0.0, 0.0, 0.0496903993189335, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H, 0.0, 0.0, , , , , 0.0, 1.0, 1.04044008255005 1.04044008255005, 0.189957499504089 0.189957499504089, , 1.05473780632019 1.05473780632019, 0.16965363919735 0.16965363919735, , 1.04044008255005 1.04044008255005, , 0.0, 0.0, 0.12663833796978, 0.0, 0.0, 9.0, 6.69023466110229, 0.0, , 0.065277062356472, 7.11111116409302, 4.30453062057495, 0.0, , 0.00701689021661878, , 0.0, 3.23966932296753, , 4.16992521286011, -0.0229502823203802, 0.5, , , 2.0, 3.6421070098877, , , 0.0, -0.0154836475849152, 0.0, , , 2.59263896942139, , 0.0, -0.00118250551167876, 0.16666667163372, 1.80083346366882, 0.0, 0.0, 0.0, 0.0, 1.25044357776642, 0.0, 0.0, 0.666666686534882, 0.451184451580048, , , 0.0, , 0.235702261328697, 5.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 124.029998779297, 0.0320750139653683, 0.0, 0.0143443830311298, 69.0, , 0.0, , , 45.8199996948242, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 88.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0589255653321743, , , , 6.08364343643188, 6.0, , , 3.04182171821594, , , , 0.0, , 0.0, , 10.9089260101318, , 10.2731170654297, 40.0, 326.585784912109, 0.0, 0.0, , 0.0, 4.65046167373657, , 12.7710237503052, 0.5, 350.343994140625, , 0.0, 2.49943876266479, 10.660737991333, , 0.111803397536278, 0.0, 409.316162109375, , 0.0, 1.59265899658203, , 6.49455308914185, 0.0, , 301.99365234375, 0.967012107372284, , 0.0124225998297334, 126.101943969727, 0.549710214138031, , 0.0, , 0.0, 0.0, 0.312413334846497, , 0.0, , , 0.0692608058452606, 0.0, , 0.0234242789447308, 0.0, , 0.0, 
-InChI%3D1S%2FC2H5ClO%2Fc3-1-2-4%2Fh4H%2C1-2H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 1.0, 3.41421365737915, 0.0, 0.0, 0.144259199500084, 4.0, 1.91421353816986, 0.0, 0.0, -0.0369667001068592, 0.0, 0.0, 3.0, 0.0, 3.0, -0.0696160346269608, 0.0, 0.0, 0.0, 4.0, 1.0, 0.0, 0.0, 0.0, 0.034453134983778, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 52.0200004577637, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 12.4872226715088, 0.0, 5.28382921218872, 10.0, 101.964263916016, 0.0, 0.0, 0.0, 0.0, 2.99532055854797, 0.0, 4.28382921218872, 0.0, 81.2007675170898, 0.0, 0.0, 1.61801147460938, 3.93198561668396, 0.0, 0.0, 0.0, 48.2859039306641, 0.0, 0.0, 0.790553510189056, 0.0, 0.0, 0.0, , 18.0514488220215, 0.253546267747879, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H6Br2O%2Fc4-1-3%285%292-6%2Fh3%2C6H%2C1-2H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.577350258827209 0.577350258827209, 1.36700749397278 1.36700749397278, 0.0, 0.288675129413605 0.288675129413605, 0.497954994440079 0.497954994440079, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 4.99156379699707, 0.0, 0.0, 0.159825444221497, 6.0, 2.80806040763855, 0.0, 0.0, -0.0318429954349995, 0.0, 0.0, 3.20000004768372, 0.0, 3.58496260643005, -0.0662257596850395, 0.288675129413605, 0.0, 0.0, 3.0, 1.92166829109192, 0.0, 0.0, 0.0, -0.0101871890947223, 0.0, 0.0, 0.0, 1.39384686946869, 0.0, 0.0, 0.0283432155847549, 0.0, 0.288675129413605, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 91.0299987792969, 0.0, 0.0, 0.0, 29.0, 0.0, 0.0, 2.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 31.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 1.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 93.2906494140625, 0.0, 16.6374435424805, 20.0, 364.503234863281, 0.0, 1.0, 0.0, 0.0, 6.36669921875, 0.0, 22.2901191711426, 0.0, 339.024841308594, 0.0, 0.0, 3.65534782409668, 61.1048355102539, 0.0, 0.566946685314178, 0.0, 306.55859375, 0.0, 0.0, 2.87660050392151, 0.0, 8.86197566986084, 0.0, , 180.809051513672, 2.62928676605225, 0.0, 0.0, 33.2800483703613, 0.253546267747879, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H3I3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, 0.0, 3.53277564048767, , , , , 0.0, 4.0, 2.00613451004028 2.00613451004028, 1.82985210418701 1.82985210418701, , 2.69851565361023 2.69851565361023, 4.58729219436646 4.58729219436646, , 3.27736973762512 3.27736973762512, , 0.0, 0.0, 4.29719686508179 4.29719686508179, 0.0, 0.0, 13.0, 7.72361469268799, 0.0, , 0.112901046872139, 8.10000038146973, 4.60906076431274, 0.0, , -0.0187863036990166, , 0.0, 2.93877553939819, , 4.32192802429199, -0.0442153625190258, 0.952529728412628, , , 1.75, 4.39026069641113, , 0.0, 0.0, 0.00215482874773443, 0.0, , , 3.34344482421875, , 0.0, -0.0122345164418221, 0.272165536880493, 2.35571956634521, 0.0, 0.0, 0.0, 0.0, 1.30466866493225, 0.0, 0.0, 0.666666686534882, 0.69780433177948, , , 0.0, , 0.111111111938953, 2.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 79.0400009155273, 0.020833333954215, 0.0, 0.167783379554749, 76.0, , 0.0, , , 20.2299995422363, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 110.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.222222223877907, , , , 0.5, 6.0, , , 5.11154460906982, , , , 0.0, , 0.0, , 342.690460205078, , 39.0298500061035, 48.0, 1512.39709472656, 0.0, 0.0, , 0.0, 11.2083024978638, , 72.059700012207, 0.0, 1661.36511230469, , 0.0, 5.6815013885498, 97.2092590332031, , 1.21040391921997, 0.0, 2140.10327148438, , 0.0, 5.28805541992188, , 367.945831298828, 0.0, , 1840.65600585938, 3.24910378456116, , 0.163663417100906, 863.8642578125, 4.11722755432129, , 0.0, , 0.0, 0.0, 0.903182327747345, , 0.0, , , 1.06736612319946, 0.0, , 0.0472455583512783, 0.0, , 0.0, 
-InChI%3D1S%2FC6H4Cl2O2%2Fc7-3-1-5%289%296%2810%292-4%283%298%2Fh1-2%2C9-10H, 0.0, 3.30192732810974, , , , , 0.0, 4.0, 2.15380668640137 2.15380668640137, 0.92061972618103 0.92061972618103, , 2.17273211479187 2.17273211479187, 0.738453805446625 0.738453805446625, , 3.37359476089478 3.37359476089478, , 0.0, 0.0, 0.889094352722168 0.889094352722168, 0.0, 0.0, 13.0, 7.72361469268799, 0.0, , 0.261346518993378, 8.10000038146973, 4.60906076431274, 0.0, , -0.0333403162658215, , 0.0, 2.93877553939819, , 4.32192802429199, -0.0824528485536575, 0.942809045314789, 0.0, , 1.75, 4.380539894104, , 0.0, 0.0, -0.0375123396515846, 0.0, , , 3.42994904518127, , 0.0, -0.0482204109430313, 0.333333343267441, 2.10210156440735, 0.0, 0.0, 0.0, 0.0, 1.57683420181274, 0.0, 0.0, 0.666666686534882, 0.601579308509827, , , 0.0, , 0.111111111938953, 2.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 106.040000915527, 0.020833333954215, 0.0, 0.0658794566988945, 80.0, , 0.0, , , 40.4599990844727, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 111.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.222222223877907, , 0.0, 0.0, 0.333333343267441, 6.0, , , 5.65685415267944, , 0.0, , 0.0, , 0.0, , 26.9744453430176, , 14.5676584243774, 48.0, 558.199890136719, 0.0, 0.0, , 0.0, 6.31691455841064, , 23.1353168487549, 0.333333343267441, 620.203002929688, , 0.0, 3.23580765724182, 30.6225395202637, , 0.456426292657852, 0.0, 803.541687011719, , 0.0, 2.56943154335022, , 16.4316291809082, 0.0, , 656.758361816406, 1.73962295055389, , 0.123809523880482, 259.969329833984, 0.841646730899811, , 0.0, , 0.0, 0.0, 0.51725047826767, , 0.0, , , 0.168355166912079, 0.0, , 0.0309523809701204, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC9H19NO%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh9H%2C3-8H2%2C1-2H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.492799282073975 0.492799282073975, 0.235278815031052 0.235278815031052, 0.0, 0.594861328601837 0.594861328601837, 0.268184781074524 0.268184781074524, 0.0, 0.55258584022522 0.55258584022522, 0.0, 0.0, 0.0, 0.273091167211533 0.273091167211533, 0.0, 0.0, 10.0, 8.52709770202637, 0.0, 0.0, 0.214923158288002, 11.0, 5.34606504440308, 0.0, 0.0, -0.170691668987274, 0.0, 0.0, 8.10000038146973, 0.0, 4.45943164825439, 0.102688163518906, 0.20412415266037, 0.0, 0.0, 6.40000009536743, 3.55873084068298, 0.0, 0.0, 0.125, -0.0304331202059984, 0.0, 0.0, 0.0, 2.509202003479, 0.0, 4.01203870773315, -0.00828574597835541, 0.0, 1.53818440437317, 0.0, 0.0, 0.0, 6.0, 1.07014954090118, 0.0, 0.0, 1.0, 0.564968049526215, 0.0, 0.0, 0.0, 1.0, 0.144337564706802, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 731.02001953125, 0.0, 0.0, 0.0, 116.0, 0.0, 0.0, 0.0, 0.0, 20.3099994659424, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 188.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.17888736724854, 4.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 12.1344566345215, 0.0, 10.8306474685669, 40.0, 486.927520751953, 0.0, 0.0, 0.0, 0.0, 7.675452709198, 0.0, 10.8858366012573, 0.0, 479.509063720703, 0.0, 0.0, 4.54057025909424, 10.9965543746948, 0.0, 0.129099443554878, 0.0, 485.759246826172, 0.0, 0.0, 2.84848475456238, 0.0, 9.99655437469482, 0.0, , 451.659790039062, 1.74683237075806, 0.0, 0.0, 376.435211181641, 0.939621388912201, 0.0, 2.0, 0.0, 0.0, 0.0, 0.638830482959747, 0.0, 0.0, 0.0, 0.0, 0.288551181554794, 0.0, 0.0, 0.111803397536278, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC14H9Cl5O%2Fc15-11-5-1-9%282-6-11%2913%2820%2C14%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C20H, 1.0, 1.53261888027191, , , , , 3.18108296394348, 4.0, 5.67183017730713 5.67183017730713, 3.2610764503479 3.2610764503479, , 8.12655830383301 8.12655830383301, 4.27517080307007 4.27517080307007, , 11.0436019897461 11.0436019897461, , 0.0, 0.0, 5.03488159179688 5.03488159179688, 0.0, 0.0, 35.0, 14.9662551879883, 0.0, , 0.292380005121231, 16.3718814849854, 9.24803733825684, 0.0, , -0.0997495949268341, , 0.0, 6.01171875, , 5.32192802429199, -0.0886950492858887, 2.65470051765442, 0.0, , 3.27662110328674, 9.4462833404541, , 0.0, 0.0, 0.0762806907296181, 0.333333343267441, , , 7.34388542175293, , 0.0, 0.0340955592691898, 1.51036298274994, 5.27759647369385, 0.0, 0.0, 0.705341815948486, 0.0, 4.07032012939453, 0.0, 0.0, 1.0, 2.62091851234436, , , 0.0, 0.0, 1.85684418678284, 8.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 520.059997558594, 0.0555555559694767, 0.0, 0.0907718539237976, 301.0, , 0.0, , , 20.2299995422363, 0.0, 3.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 744.0, 0.0, 0.0, 0.16666667163372, 0.0, 0.25, , 0.0, 0.0, 8.69190216064453, 10.0, , , 12.3619976043701, , 0.0, , 0.0, , 5.49271249771118, 0.0, 59.3382377624512, , 31.0907783508301, 106.0, 1788.92126464844, 0.0, 0.0, 0.0, 0.0, 13.7354831695557, , 69.7966995239258, 0.0, 2118.89111328125, , 0.0, 7.45107460021973, 64.6417007446289, , 2.46805334091187, 0.0, 3077.27563476562, , 0.0, 7.37605953216553, , 60.6526908874512, 0.392416596412659, , 3252.53540039062, 4.25868463516235, , 0.788515388965607, 2800.99780273438, 2.78280520439148, , 0.0, , 0.380554795265198, 0.0, 1.83735752105713, 1.0, 0.0, , , 1.0295535326004, 0.0, , 0.785712778568268, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H17N%2Fc1-2-3-4-5-6-7-8%2Fh2-8H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 5.0, 6.24264049530029, 0.0, 0.0, 0.0296331718564034, 8.0, 3.91421365737915, 0.0, 0.0, -0.0120891109108925, 0.0, 0.0, 7.0, 0.0, 4.0, -0.00252518872730434, 0.0, 0.0, 0.0, 7.19999980926514, 2.41421365737915, 0.0, 0.0, 0.0, -0.000196016044355929, 0.0, 0.0, 0.0, 1.45710682868958, 0.0, 2.00414514541626, -6.19201682638959e-06, 0.0, 0.853553414344788, 0.0, 0.0, 0.0, 6.0, 0.478553384542465, 0.0, 0.0, 0.75, 0.25, 0.0, 0.0, 0.0, 0.0, 0.125, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 520.010009765625, 0.0, 0.0, 0.0, 74.0, 0.0, 0.0, 0.0, 0.0, 26.0200004577637, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 84.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.47342491149902, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 8.35998821258545, 0.0, 7.16618537902832, 26.0, 323.898345947266, 0.0, 0.0, 0.0, 0.0, 5.81999111175537, 0.0, 6.16618537902832, 0.0, 297.338684082031, 0.0, 1.0, 3.61535501480103, 5.16618537902832, 0.0, 0.0, 0.0, 255.672561645508, 0.0, 0.0, 2.20288872718811, 0.0, 4.16618537902832, 0.0, , 207.22102355957, 1.30767750740051, 0.0, 0.0, 156.612869262695, 0.747890949249268, 0.0, 1.0, 0.0, 0.0, 0.0, 0.403838753700256, 0.0, 0.0, 0.0, 0.0, 0.197168782353401, 0.0, 0.0, 0.0721687823534012, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H10O3%2Fc1-6%2810%298-4-3-7%2812-2%295-9%288%2911%2Fh3-5%2C11H%2C1-2H3, 1.0, 3.14734530448914, , , , , 0.0, 3.0, 1.93399572372437 1.93399572372437, 0.570359647274017 0.570359647274017, , 2.79964995384216 2.79964995384216, 0.611829042434692 0.611829042434692, , 2.8740599155426 2.8740599155426, , 0.0, 0.0, 0.499862968921661 0.499862968921661, 0.0, 0.0, 16.0, 9.13782787322998, 0.0, , 0.375971794128418, 10.0833330154419, 5.64706563949585, 0.0, , -0.122756130993366, , 1.0, 4.296875, , 4.58496236801147, -0.0293258633464575, 0.909242510795593, , , 2.49307489395142, 4.9724817276001, , 0.0, 0.142857149243355, -0.117153704166412, 0.0, , , 3.7779233455658, , 1.73205077648163, 0.118219912052155, 0.232307806611061, 2.89228701591492, 0.0, 2.63586664199829, 0.0, 0.0, 1.73592889308929, 0.0, 0.0, 0.75, 1.13298404216766, , , 0.0, , 0.607878863811493, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 352.029998779297, 0.0240562614053488, 0.0, 0.0326073467731476, 122.0, , 0.0, , , 46.5299987792969, 0.0, 1.0, 0.428571432828903, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 197.0, 0.0, 0.0, 0.0680413842201233, 1.0, 0.155437618494034, , , , 1.65096366405487, 5.0, , , 6.83080291748047, , , , 0.0, , 0.0, , 14.3234071731567, , 13.3283681869507, 56.0, 560.180541992188, 0.0, 0.0, , 0.0, 6.99576091766357, , 17.9925518035889, 0.25, 621.234375, , 0.0, 3.52813720703125, 18.3246440887451, , 0.306821972131729, 0.40824830532074, 806.11376953125, , 0.0, 2.43926572799683, , 15.2093982696533, 0.0, , 735.420654296875, 1.58419382572174, , 0.0480966828763485, 458.888580322266, 0.93613600730896, , 2.0, , 0.0, 0.0, 0.494468659162521, , 0.0, , , 0.246500313282013, 0.0, , 0.111205689609051, 0.0, , 0.0, 
-InChI%3D1S%2FC5H10O%2Fc1-2-3-4-5-6%2Fh5H%2C2-4H2%2C1H3, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 4.8284273147583, 0.0, 0.0, 0.132066652178764, 6.0, 2.91421365737915, 0.0, 0.0, -0.0442661456763744, 0.0, 0.0, 5.0, 0.0, 3.58496260643005, -0.0192883852869272, 0.0, 0.0, 0.0, 5.33333349227905, 1.70710682868958, 0.0, 0.0, 0.0, -0.00233783689327538, 0.0, 0.0, 0.0, 0.95710676908493, 0.0, 1.80720400810242, -0.000136941438540816, 0.0, 0.5, 0.0, 0.0, 0.0, 3.0, 0.25, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 195.009994506836, 0.0, 0.0, 0.0, 38.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 1.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 35.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.96540641784668, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 6.77446889877319, 0.0, 5.33209180831909, 18.0, 178.732498168945, 0.0, 0.0, 0.0, 0.0, 4.1069188117981, 0.0, 4.33209180831909, 0.0, 157.791107177734, 0.0, 0.0, 2.35105729103088, 3.33209204673767, 0.0, 0.0, 0.0, 123.370758056641, 0.0, 0.0, 1.30889523029327, 0.0, 2.33209204673767, 0.0, , 83.2615280151367, 0.675528645515442, 0.0, 0.0, 45.4917640686035, 0.287457466125488, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H9NO%2Fc14-12%2810-4-2-1-3-5-10%2911-6-8-13-9-7-11%2Fh1-9H, 2.0, 2.38110160827637, , , , , 0.0, 2.0, 1.54151904582977 1.54151904582977, 0.461675941944122 0.461675941944122, , 2.28553605079651 2.28553605079651, 0.561244547367096 0.561244547367096, , 2.983478307724 2.983478307724, , 0.0, 0.0, 0.575930237770081 0.575930237770081, 0.0, 0.0, 18.0, 9.80311870574951, 0.0, , 0.183282747864723, 10.5155553817749, 6.87700986862183, 0.0, , -0.0567022152245045, , 1.0, 5.18559551239014, , 4.80735492706299, -0.0137330321595073, 0.52578341960907, 0.0, , 2.75, 5.65529680252075, , 0.0, 0.0, 0.00177895079832524, 0.0, , , 4.78679990768433, , 0.0, -0.0747613161802292, 0.19245009124279, 3.70480060577393, 0.0, 0.0, 0.0, 0.0, 2.8459792137146, 0.0, 0.0, 1.0, 1.33883595466614, , , 0.0, , 0.916116058826447, 9.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 394.019989013672, 0.0569202154874802, 0.0, 0.0284601077437401, 183.0, , 0.0, , , 29.9599990844727, 0.0, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 307.0, 0.0, 0.0, 0.20412415266037, 1.0, 0.117851130664349, , 1.0, 0.0, 11.3306121826172, 7.0, , , 11.1108913421631, , 0.0, , 0.0, , 0.0, , 15.1344566345215, , 15.6644620895386, 68.0, 778.337341308594, 0.0, 0.0, 0.0, 0.0, 7.55161428451538, , 19.9965553283691, 0.0, 875.009582519531, , 0.0, 4.37522268295288, 19.4945526123047, , 0.217697709798813, 0.0, 1111.03759765625, , 0.0, 2.93103837966919, , 15.494553565979, 0.0, , 1014.00256347656, 1.97848701477051, , 0.0340206921100616, 744.569702148438, 1.25948309898376, , 0.0, , 0.0, 0.0, 0.787653148174286, , 0.0, , , 0.30060750246048, 0.0, , 0.165538117289543, 0.0, 0.0, 0.0, 
-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, 3.0, 2.40685200691223, 0.0, 0.0, 0.0, 0.0, 5.38127613067627, 0.0, 7.19423627853394 7.19423627853394, 5.25473880767822 5.25473880767822, 0.0, 11.3045988082886 11.3045988082886, 8.56502246856689 8.56502246856689, 0.0, 15.7465448379517 15.7465448379517, 0.0, 0.0, 0.0, 11.2857599258423 11.2857599258423, 0.0, 0.0, 46.0, 16.1733627319336, 0.0, 0.0, 0.194829627871513, 16.84375, 10.2506017684937, 0.0, 0.0, -0.0969144254922867, 0.0, 2.0, 5.52268266677856, 0.0, 5.45943164825439, 0.0143301393836737, 2.98756384849548, 0.0, 0.0, 2.51239681243896, 10.4234132766724, 0.0, 0.0, 1.04277527332306, -0.00477427337318659, 0.41247895359993, 0.0, 0.0, 9.25158786773682, 0.0, 9.1124792098999, -0.0197735857218504, 1.09257674217224, 7.23648548126221, 0.0, 4.10960149765015, 0.249296993017197, 7.0, 5.7530345916748, 0.0, 3.77682709693909, 1.0, 4.46832084655762, 0.0, 0.0, 0.0, 1.0, 3.14135909080505, 0.0, 0.0, 0.0, 0.825481832027435, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 2454.02001953125, 0.136082768440247, 0.0, 0.45179671049118, 352.0, 0.0, 1.0, 0.0, 0.0, 37.2999992370605, 2.0, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 926.0, 0.0, 0.0, 0.158069118857384, 2.0, 0.54302453994751, 0.0, 0.0, 0.0, 10.9977159500122, 7.0, 0.0, 0.0, 12.8106775283813, 0.0, 0.0, 0.0, 1.0, , 10.0277080535889, 0.0, 23.5489387512207, 0.0, 24.6641845703125, 126.0, 1986.7763671875, 0.0, 2.0, 0.0, 0.0, 14.3217172622681, 0.0, 40.4386520385742, 0.5, 2449.72509765625, 0.0, 0.0, 8.81054210662842, 47.9925537109375, 0.0, 2.49027132987976, 0.0, 3851.10546875, 0.0, 0.0, 8.77551078796387, 0.0, 41.9925537109375, 0.364250779151917, , 4209.3828125, 7.42953157424927, 0.0, 0.623733997344971, 3418.43774414062, 5.86364459991455, 0.0, 3.0, 0.0, 0.138051629066467, 0.0, 4.3814902305603, 1.0, 0.0, 0.0, 0.0, 3.38740253448486, 0.0, 0.0, 2.14462399482727, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2%2Fb2-1%2B, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.12132024765015, 0.0, 0.0, 0.0772592276334763, 5.0, 2.41421365737915, 0.0, 0.0, -0.0332078598439693, 0.0, 0.0, 4.0, 0.0, 3.32192802429199, 0.0113530382514, 0.0, 0.0, 0.0, 4.0, 1.35355341434479, 0.0, 0.0, 0.0, -0.0365978591144085, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0198230687528849, 0.0, 0.353553384542465, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 44.0200004577637, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 20.4255065917969, 0.0, 7.90347480773926, 14.0, 206.063125610352, 0.0, 0.0, 0.0, 0.0, 4.12959432601929, 0.0, 6.90347480773926, 0.0, 174.897933959961, 0.0, 0.0, 2.19801902770996, 5.90347480773926, 0.0, 0.0, 0.0, 125.042137145996, 0.0, 0.0, 1.0765768289566, 0.0, 8.71275329589844, 0.0, , 74.689338684082, 0.534522473812103, 0.0, 0.0, 28.1061096191406, 0.303045749664307, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H2Cl4O2%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh11-12H, 0.0, 9.12546539306641, , 0.0, 0.0, , 0.0, 6.0, 3.64273452758789 3.64273452758789, 1.94658207893372 1.94658207893372, , 4.97606754302979 4.97606754302979, 2.28286099433899 2.28286099433899, , 7.01965713500977 7.01965713500977, 0.0, 0.0, 0.0, 2.75499200820923 2.75499200820923, 0.0, 0.0, 21.0, 9.46410179138184, 0.0, 0.0, 0.388659000396729, 10.0833330154419, 5.46410179138184, 0.0, , -0.00255934405140579, , 0.0, 3.3950617313385, 0.0, 4.58496236801147, -0.19413349032402, 1.15470051765442, 0.0, , 1.5625, 5.154700756073, , 0.0, 0.0, -0.0915005579590797, 0.0, , 0.0, 4.97606754302979, , 0.0, -0.000196010849322192, 0.666666686534882, 2.87293410301208, 0.0, 0.0, 0.0, 0.0, 1.65868926048279, 0.0, 0.0, 0.25, 0.829344630241394, 0.0, , 0.0, 0.0, 0.222222223877907, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 64.0599975585938, 0.015625, 0.0, 0.0848437622189522, 102.0, 0.0, 0.0, , , 40.4599990844727, 0.0, 0.0, 0.200000002980232, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , , 174.0, 0.0, 0.0, 0.0370370373129845, 0.0, 0.222222223877907, , 0.0, 0.0, 0.0, 6.0, 0.0, , 0.0, , 0.0, , 0.0, , 0.0, 0.0, 44.3999519348145, 0.0, 20.471134185791, 60.0, 879.179260253906, 0.0, 0.0, 0.0, 0.0, 8.4300012588501, , 34.942268371582, 0.333333343267441, 1014.87487792969, , 0.0, 4.21500062942505, 67.7189712524414, , 0.678750097751617, 0.0, 1413.4326171875, 0.0, 0.0, 3.46500039100647, , 47.624584197998, 0.0, , 1369.78271484375, 3.00033211708069, , 0.316958010196686, 663.156982421875, 1.44122493267059, 0.0, 0.0, , 0.0, 0.0, 0.720612466335297, 2.0, 0.0, , 0.0, 0.313431233167648, 0.0, , 0.0792395025491714, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H15Br%2Fc1-2-3-4-5-6-7-8%2Fh2-7H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 5.0, 6.24264049530029, 0.0, 0.0, 0.0292395427823067, 8.0, 3.91421365737915, 0.0, 0.0, -0.011964843608439, 0.0, 0.0, 7.0, 0.0, 4.0, -0.0024591232649982, 0.0, 0.0, 0.0, 7.19999980926514, 2.41421365737915, 0.0, 0.0, 0.0, -0.000189749858691357, 0.0, 0.0, 0.0, 1.45710682868958, 0.0, 2.00414514541626, -5.97926509726676e-06, 0.0, 0.853553414344788, 0.0, 0.0, 0.0, 6.0, 0.478553384542465, 0.0, 0.0, 0.75, 0.25, 0.0, 0.0, 0.0, 0.0, 0.125, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 428.010009765625, 0.0, 0.0, 0.0, 74.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.428571432828903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 84.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.47342491149902, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 51.2580909729004, 0.0, 12.6526756286621, 26.0, 399.975402832031, 0.0, 0.0, 0.0, 0.0, 7.20660161972046, 0.0, 11.6526756286621, 0.0, 363.579956054688, 0.0, 0.0, 4.59583711624146, 10.6526756286621, 0.0, 0.0, 0.0, 308.427764892578, 0.0, 0.0, 2.89619398117065, 0.0, 9.65267562866211, 0.0, , 251.769500732422, 1.79791843891144, 0.0, 0.0, 194.621551513672, 1.09454369544983, 0.0, 1.0, 0.0, 0.0, 0.0, 0.648959219455719, 0.0, 0.0, 0.0, 0.0, 0.370495140552521, 0.0, 0.0, 0.24549512565136, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H9NO%2Fc1-5-3-2-4%2Fh2-4H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.12132024765015, 0.0, 0.0, 0.215468630194664, 5.0, 2.41421365737915, 0.0, 0.0, -0.112928450107574, 0.0, 0.0, 4.0, 0.0, 3.32192802429199, -0.0419638343155384, 0.0, 0.0, 0.0, 4.0, 1.35355341434479, 0.0, 0.0, 0.0, 0.0695609524846077, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.816496610641479, -0.0224029868841171, 0.0, 0.353553384542465, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 149.020004272461, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 35.25, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 6.13445711135864, 0.0, 4.8303689956665, 14.0, 121.218475341797, 0.0, 0.0, 0.0, 0.0, 3.3998122215271, 0.0, 3.49827718734741, 0.0, 101.745040893555, 0.0, 1.0, 1.60517168045044, 2.55346608161926, 0.0, 0.0, 0.0, 74.084114074707, 0.0, 0.0, 0.781474411487579, 0.0, 1.16618525981903, 0.0, , 44.3887825012207, 0.321975260972977, 0.0, 0.0, 18.3813076019287, 0.117851130664349, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H4Cl2%2Fc7-5-2-1-3-6%288%294-5%2Fh1-4H, 0.0, 0.5, , , , , 0.0, 2.0, 0.741581618785858 0.741581618785858, 0.407200127840042 0.407200127840042, , 1.09341299533844 1.09341299533844, 0.558491766452789 0.558491766452789, , 1.02022004127502 1.02022004127502, , 0.0, 0.0, 0.437553197145462 0.437553197145462, 0.0, 0.0, 7.0, 5.98312759399414, 0.0, , 0.0816668495535851, 6.125, 3.78769373893738, 0.0, , -0.0206189267337322, , 0.0, 2.51999998092651, , 4.0, -0.00640978431329131, 0.577350258827209, 0.0, , 1.79999995231628, 3.37694931030273, , 0.0, 0.0, -0.0324755646288395, 0.0, , , 2.19858479499817, , 0.0, 0.0186708495020866, 0.0, 1.73736357688904, 0.0, 0.0, 0.0, 0.0, 0.971404492855072, 0.0, 0.0, 0.333333343267441, 0.451184451580048, , , 0.0, , 0.0, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 88.0199966430664, 0.0277777779847383, 0.0, 0.0629940778017044, 54.0, , 0.0, , , 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 61.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, , 0.0, 0.0, 3.53277564048767, 6.0, , , 5.11154460906982, , 0.0, , 0.0, , 0.0, , 23.4255065917969, , 11.9034748077393, 36.0, 457.002960205078, 0.0, 0.0, , 0.0, 5.57718801498413, , 17.8069496154785, 0.0, 486.5703125, , 0.0, 2.95526051521301, 14.8069496154785, , 0.377964466810226, 0.0, 571.2197265625, , 0.0, 2.31276178359985, , 14.6162281036377, 0.0, , 384.018829345703, 1.25685811042786, , 0.0, 129.127227783203, 0.896338224411011, , 0.0, , 0.0, 0.0, 0.384884566068649, , 0.0, , , 0.187847107648849, 0.0, , 0.0, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC10H23N%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh2-11H2%2C1H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 8.0, 8.3639612197876, 0.0, 0.0, 0.0296331718564034, 11.0, 5.41421365737915, 0.0, 0.0, -0.0120891109108925, 0.0, 0.0, 10.0, 0.0, 4.45943164825439, -0.00252518872730434, 0.0, 0.0, 0.0, 10.0, 3.47487378120422, 0.0, 0.0, 0.0, -0.000196016044355929, 0.0, 0.0, 0.0, 2.20710682868958, 0.0, 2.17015647888184, -6.19201682638959e-06, 0.0, 1.38388347625732, 0.0, 0.0, 0.0, 9.0, 0.853553414344788, 0.0, 0.0, 1.0, 0.515165030956268, 0.0, 0.0, 0.0, 0.0, 0.301776707172394, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 979.010009765625, 0.0, 0.0, 0.0, 150.0, 0.0, 0.0, 0.0, 0.0, 26.0200004577637, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 220.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.1851243972778, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 11.3599882125854, 0.0, 10.1661853790283, 38.0, 497.798522949219, 0.0, 0.0, 0.0, 0.0, 7.94131135940552, 0.0, 9.16618537902832, 0.0, 470.896453857422, 0.0, 1.0, 5.11535501480103, 8.16618537902832, 0.0, 0.0, 0.0, 428.315948486328, 0.0, 0.0, 3.26354885101318, 0.0, 7.16618537902832, 0.0, , 378.086212158203, 2.05767750740051, 0.0, 0.0, 324.249298095703, 1.2782210111618, 0.0, 1.0, 0.0, 0.0, 0.0, 0.778838753700256, 0.0, 0.0, 0.0, 0.0, 0.462333828210831, 0.0, 0.0, 0.264419376850128, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H16O%2Fc1-7%282%295-6-8%283%2C4%299-7%2Fh5-6H2%2C1-4H3, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.06066012382507 2.06066012382507, 1.40104758739471 1.40104758739471, 0.0, 3.87132024765015 3.87132024765015, 2.34077024459839 2.34077024459839, 0.0, 4.15165042877197 4.15165042877197, 0.0, 0.0, 0.0, 2.60828137397766 2.60828137397766, 0.0, 0.0, 8.0, 7.12132024765015, 0.0, 0.0, 0.154891967773438, 7.11111116409302, 3.91421365737915, 0.0, 0.0, -0.0497996956110001, 0.0, 0.0, 1.74222218990326, 0.0, 4.16992521286011, -0.0458194985985756, 2.41421365737915, 0.0, 0.0, 1.70414197444916, 5.00520372390747, 0.0, 0.0, 1.88988161087036, 0.0146049540489912, 0.5, 0.0, 0.0, 2.43566012382507, 0.0, 3.26598644256592, 0.00356825883500278, 0.0, 2.14904856681824, 0.0, 0.0, 0.0, 2.0, 1.20710682868958, 0.0, 4.61880207061768, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0510310381650925, 0.0, 2.0, 553.010009765625, 0.20412415266037, 0.0, 0.306186228990555, 56.0, 0.0, 0.0, 0.0, 0.0, 9.22999954223633, 0.0, 2.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 79.0, 0.0883883461356163, 0.0, 0.353553384542465, 0.0, 0.530330061912537, 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.82842707633972, 1.0, 9.77446937561035, 0.0, 9.66418361663818, 48.0, 475.127197265625, 0.0, 0.0, 0.0, 0.0, 6.82246208190918, 0.0, 16.9925518035889, 0.0, 531.43994140625, 0.0, 0.0, 3.61535501480103, 8.0, 0.0, 1.69270539283752, 0.0, 775.13916015625, 0.0, 0.0, 4.12144756317139, 0.0, 4.0, 0.288675129413605, , 403.101196289062, 1.88171005249023, 0.0, 0.0, 154.188095092773, 1.45207858085632, 0.0, 4.0, 0.0, 0.0, 0.0, 0.90824830532074, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H6N2O2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H%2C7H2, 0.0, 0.333333343267441, , , , , 0.0, 2.0, 1.44868838787079 1.44868838787079, 0.301068603992462 0.301068603992462, , 1.40419375896454 1.40419375896454, 0.25062695145607 0.25062695145607, , 1.49826681613922 1.49826681613922, , 0.0, 0.0, 0.225434228777885 0.225434228777885, 0.0, 0.0, 11.0, 7.56047773361206, 0.200000002980232, , 0.0926738679409027, 8.10000038146973, 4.69837713241577, 0.0, , 0.000441395677626133, , 0.0, 3.40828394889832, , 4.32192802429199, -0.0158612821251154, 0.788675129413605, 0.0, , 2.28571438789368, 4.26396894454956, , 0.0, 0.0, -0.00695121427997947, 0.0, , , 3.00332260131836, , 0.0, -0.0306083355098963, 0.16666667163372, 1.95252978801727, 0.0, 0.0, 0.0, 0.0, 1.44913530349731, 0.0, 0.0, 1.0, 0.919957399368286, , , 0.0, , 0.19245009124279, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 166.039993286133, 0.0277777779847383, 0.0, 0.0284601077437401, 88.0, , 0.0, , , 71.8399963378906, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 120.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.131445854902267, , , 0.0, 3.30192732810974, 6.0, , , 5.65685415267944, , , , 0.0, , 0.0, , 12.2689142227173, , 11.439302444458, 46.0, 397.485626220703, 0.0, 0.0, , 0.0, 5.15046167373657, , 15.1033935546875, 0.5, 433.122100830078, , 1.0, 2.69879746437073, 12.9931087493896, , 0.208028450608253, 0.0, 532.588928222656, , 0.0, 1.8486419916153, , 7.66073846817017, 0.0, , 411.584991455078, 1.10390663146973, , 0.0124225998297334, 182.236968994141, 0.596037983894348, , 0.0, , 0.0, 0.0, 0.369146585464478, , 0.0, , , 0.127193048596382, 0.0, , 0.0202860198915005, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC5H8O3%2Fc1-2-5%287%298-4-3-6%2Fh2%2C6H%2C1%2C3-4H2, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.492799282073975 0.492799282073975, 0.0680413842201233 0.0680413842201233, 0.0, 0.348461717367172 0.348461717367172, 0.0481125228106976 0.0481125228106976, 0.0, 0.288675129413605 0.288675129413605, 0.0, 0.0, 0.0, 0.0277686323970556 0.0277686323970556, 0.0, 0.0, 6.0, 6.40577745437622, 0.0, 0.0, 0.375927805900574, 8.0, 3.80806040763855, 0.0, 0.0, -0.205221518874168, 0.0, 1.0, 5.14285707473755, 0.0, 4.0, -0.00877491198480129, 0.288675129413605, 0.0, 0.0, 5.0, 2.65564846992493, 0.0, 0.0, 0.0, 0.0888329669833183, 0.0, 0.0, 0.0, 1.74740028381348, 0.0, 1.10520946979523, -0.104447320103645, 0.0, 0.75670999288559, 0.0, 0.5, 0.0, 2.0, 0.492799282073975, 0.0, 0.0, 1.0, 0.144337564706802, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 169.029998779297, 0.0, 0.0, 0.0, 63.0, 0.0, 0.0, 0.0, 0.0, 46.5299987792969, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 76.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.31037068367004, 0.0, 0.0, 0.0, 1.65096366405487, 0.0, 0.0, 0.0, 1.0, , 0.0, 1.0, 10.3234071731567, 0.0, 8.32836818695068, 28.0, 224.373260498047, 0.0, 0.0, 0.0, 0.0, 4.46238088607788, 0.0, 9.10283660888672, 0.200000002980232, 211.702728271484, 0.0, 0.0, 2.21007466316223, 7.77074480056763, 0.0, 0.0481125228106976, 0.816496610641479, 201.816757202148, 0.0, 0.0, 1.09522819519043, 0.0, 4.66418409347534, 0.0, , 161.382522583008, 0.502274751663208, 0.0, 0.0, 104.007804870605, 0.205161347985268, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0866528823971748, 1.0, 0.0, 0.0, 0.0, 0.0186339002102613, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H6O3%2Fc8-4-5-1-2-6%289%293-7%285%2910%2Fh1-4%2C9-10H, 0.0, 1.65096366405487, , , , , 0.0, 3.0, 1.40924251079559 1.40924251079559, 0.354624956846237 0.354624956846237, , 1.94750583171844 1.94750583171844, 0.33730536699295 0.33730536699295, , 2.06838130950928 2.06838130950928, , 0.0, 0.0, 0.301672488451004 0.301672488451004, 0.0, 0.0, 12.0, 7.56047773361206, 0.0, , 0.292695134878159, 8.10000038146973, 4.73638200759888, 0.0, , -0.0675194710493088, , 0.0, 3.40828394889832, , 4.32192802429199, -0.00881995726376772, 0.6910440325737, 0.0, , 1.99111115932465, 4.06383609771729, , 0.0, 0.0, -0.131871625781059, 0.0, , , 3.13352584838867, , 0.0, 0.0887501835823059, 0.117851130664349, 2.33458280563354, 0.0, 0.0, 0.0, 0.0, 1.39430165290833, 0.0, 0.0, 1.0, 0.830066502094269, , , 0.0, , 0.144337564706802, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 166.029998779297, 0.0240562614053488, 0.0, 0.0354054644703865, 84.0, , 0.0, , , 57.5299987792969, 1.0, 1.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 116.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.184195280075073, , , , 2.7494592666626, 5.0, , , 7.30836629867554, , , , 0.0, , 0.0, , 12.3234071731567, , 10.9962759017944, 46.0, 415.324676513672, 0.0, 0.0, , 0.0, 5.11207675933838, , 14.6604595184326, 0.655185341835022, 458.114013671875, , 0.0, 2.70962476730347, 14.3246440887451, , 0.222418650984764, 0.0, 575.706665039062, , 0.0, 1.86096978187561, , 9.87730598449707, 0.0, , 468.027191162109, 1.14098691940308, , 0.0215165745466948, 210.604507446289, 0.63171923160553, , 0.0, , 0.0, 0.0, 0.350392550230026, , 0.0, , , 0.116696782410145, 0.0, , 0.0175515301525593, 1.0, , 0.0, 
-InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3, 1.0, 0.0, , , , , 0.0, 1.0, 0.492799282073975 0.492799282073975, 0.253933906555176 0.253933906555176, , 0.594861328601837 0.594861328601837, 0.253933906555176 0.253933906555176, , 0.492799282073975 0.492799282073975, , 0.0, 0.0, 0.169289261102676, 0.0, 0.0, 7.0, 5.81999111175537, 0.0, , 0.0, 6.125, 3.9318516254425, 0.0, , 0.0, , 0.0, 3.11111116409302, , 4.0, 0.0, 0.20412415266037, , , 1.79999995231628, 2.91228413581848, , 0.0, 0.0, 0.0, 0.0, , , 2.30209517478943, , 2.00414514541626, 0.0, 0.0, 1.59538793563843, 0.0, 0.5, 0.0, 1.0, 1.10517168045044, 0.0, 0.0, 0.666666686534882, 0.348461717367172, , , 0.0, , 0.144337564706802, 5.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 268.0, 0.0320750139653683, 0.0, 0.0226804614067078, 60.0, , 0.0, , , 0.0, 0.0, 1.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 64.0, 0.0, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, , , , 7.73231601715088, 6.0, , , 3.96540641784668, , , , 0.0, , 0.0, , 8.0, , 8.0, 34.0, 380.579162597656, 0.0, 0.0, , 0.0, 5.09385824203491, , 9.0, 0.0, 395.764465332031, , 0.0, 2.97134375572205, 7.0, , 0.117851130664349, 0.0, 444.308013916016, , 0.0, 1.83915197849274, , 3.0, 0.0, , 321.839263916016, 1.25107300281525, , 0.0, 118.681030273438, 0.713712811470032, , 1.0, , 0.0, 0.0, 0.407100260257721, , 0.0, , , 0.123928338289261, 0.0, , 0.0453609228134155, 0.0, , 0.0, 
-InChI%3D1S%2FC8H10%2Fc1-7-3-5-8%282%296-4-7%2Fh3-6H%2C1-2H3, 2.0, 0.333333343267441, , , , , 0.0, 2.0, 0.816496610641479 0.816496610641479, 0.38490018248558 0.38490018248558, , 0.760079681873322 0.760079681873322, 0.303561210632324 0.303561210632324, , 1.13807117938995 1.13807117938995, , 0.0, 0.0, 0.414672315120697, 0.0, 0.0, 7.0, 5.98312759399414, 0.0, , 0.0, 6.125, 3.78769373893738, 0.0, , 0.0, , 0.0, 2.51999998092651, , 4.0, 0.0, 0.577350258827209, , , 1.79999995231628, 3.3650438785553, , , 0.200000002980232, 0.0, 0.0, , , 2.30453038215637, , 3.26598644256592, 0.0, 0.0, 1.4267463684082, 0.0, 2.0, 0.0, 0.0, 1.30473780632019, 0.0, 0.0, 0.666666686534882, 0.333333343267441, , , 0.0, , 0.0, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 268.0, 0.0277777779847383, 0.0, 0.0555555559694767, 58.0, , 0.0, , , 0.0, 0.0, 2.0, 0.400000005960464, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 62.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, , , , 3.30192732810974, 4.0, , , 5.65685415267944, , , , 0.0, , 0.0, , 8.0, , 8.0, 36.0, 392.244659423828, 0.0, 0.0, , 0.0, 5.30940103530884, , 10.0, 0.0, 412.980255126953, , 0.0, 2.82136726379395, 7.0, , 0.333333343267441, 0.0, 491.501800537109, , 0.0, 2.15470051765442, , 2.0, 0.0, , 330.009063720703, 1.21823346614838, , 0.0, 89.5500335693359, 0.636894524097443, , 2.0, , 0.0, 0.0, 0.52578341960907, , 0.0, , , 0.111111111938953, 0.0, , 0.0, 0.0, , 0.0, 
-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, 3.0, 3.53277564048767, , , , , 0.0, 4.0, 1.85495853424072 1.85495853424072, 0.612214744091034 0.612214744091034, , 3.24797606468201 3.24797606468201, 0.859746098518372 0.859746098518372, , 4.310142993927 4.310142993927, , 0.0, 0.0, 0.95635324716568 0.95635324716568, 0.0, 1.08148372173309, 26.0, 14.0875759124756, 0.0, , 0.773651838302612, 17.0526313781738, 9.26107978820801, 0.0, , -0.420289307832718, , 0.0, 9.83364868164062, , 5.24792766571045, -0.105541095137596, 0.673540234565735, 0.0, , 5.47919130325317, 6.94907760620117, , 0.0, 0.773526012897491, 0.201529026031494, 0.0, , , 5.71924829483032, , 4.28463840484619, -0.0800084471702576, 0.136082768440247, 4.56478214263916, 0.0, 3.97737908363342, 0.0, 4.0, 3.42327094078064, 0.0, 0.0, 1.0, 2.07142686843872, , , 0.0, , 1.32377338409424, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1422.05004882812, 0.020833333954215, 0.0, 0.0402469076216221, 347.0, , 0.0, , , 48.9500007629395, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 1.0, , 0.0, 0.0, 0.0, , , 806.0, 0.0, 0.0, 0.0555555559694767, 0.0, 0.157134845852852, , 0.0, 0.0, 5.32817316055298, 6.0, , , 7.54479265213013, , 0.0, , 0.0, , 0.0, , 22.4578647613525, , 21.989107131958, 84.0, 978.4990234375, 0.0, 0.0, 0.0, 0.0, 12.1161212921143, , 25.6570148468018, 0.0, 1075.9560546875, , 0.0, 6.24940156936646, 30.3721370697021, , 0.28673329949379, 0.0, 1364.93688964844, , 0.0, 4.05671739578247, , 29.649133682251, 0.0, , 1439.69506835938, 2.75565338134766, , 0.0240562614053488, 1240.61547851562, 1.8116819858551, , 4.0, , 0.0, 0.0, 1.16205608844757, , 0.0, , , 0.621584832668304, 0.0, , 0.338327020406723, 0.0, 0.0, 0.0, 
-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, 2.0, 9.47431087493896, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 3.93352317810059 3.93352317810059, 1.71170926094055 1.71170926094055, 0.0, 6.58551979064941 6.58551979064941, 2.17175650596619 2.17175650596619, , 8.28720951080322 8.28720951080322, 0.0, 0.0, 0.0, 2.24169683456421 2.24169683456421, 0.0, 0.200000002980232, 45.0, 21.5098609924316, 0.0, 0.0, 0.577065408229828, 24.638671875, 14.4735651016235, 0.0, 0.0, -0.263359725475311, 0.0, 1.0, 12.2963762283325, 0.0, 5.90689039230347, -0.0341635495424271, 1.87707018852234, 0.0, 0.0, 7.25925922393799, 12.7550821304321, 0.0, 0.0, 0.5, 0.0911571979522705, 0.0, , 0.0, 10.1120710372925, 0.0, 3.71375250816345, -0.164108142256737, 0.328567415475845, 8.53294658660889, 0.0, 4.50565052032471, 0.0, 0.0, 6.44185304641724, 0.0, 0.0, 1.0, 3.89177227020264, 0.0, 0.0, 0.0, 1.0, 3.02065110206604, 13.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 2046.05004882812, 0.087630569934845, 0.0, 0.088006854057312, 768.0, 0.0, 0.0, , , 59.3199996948242, 0.0, 4.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 2659.0, 0.0, 0.0, 0.268728733062744, 0.0, 0.310652732849121, , 0.0, 0.0, 17.0665702819824, 17.0, 0.0, 0.0, 26.4306735992432, 1.0, 0.0, , 0.0, , 0.0, 2.0, 40.3961486816406, 0.0, 35.7783813476562, 150.0, 1948.3681640625, 0.0, 3.0, 0.0, 0.0, 17.54345703125, 0.0, 50.5008659362793, 0.0, 2230.51098632812, , 0.0, 10.0389051437378, 53.2761383056641, 0.0, 1.041219830513, 0.534522473812103, 2973.07421875, 0.0, 0.0, 7.64330530166626, 0.0, 52.4316711425781, 0.0, , 3051.01879882812, 4.89270734786987, , 0.144641861319542, 2863.61865234375, 3.31338143348694, 0.0, 2.0, , 0.0, 0.0, 2.07508087158203, 0.0, 1.0, 0.0, 0.0, 1.06729102134705, 1.0, , 0.698325932025909, 1.0, 1.0, 0.0, 0.0
-InChI%3D1S%2FC8H8O4%2Fc1-12-8%2811%296-3-2-5%289%294-7%286%2910%2Fh2-4%2C9-10H%2C1H3, 0.0, 3.14734530448914, , , , , 0.0, 3.0, 1.90891540050507 1.90891540050507, 0.443208485841751 0.443208485841751, , 2.84120488166809 2.84120488166809, 0.482378453016281 0.482378453016281, , 3.27486515045166 3.27486515045166, , 0.0, 0.0, 0.452755302190781 0.452755302190781, 0.0, 0.0, 16.0, 9.13782787322998, 0.0, , 0.438665121793747, 10.0833330154419, 5.64706563949585, 0.0, , -0.200056299567223, , 1.0, 4.296875, , 4.58496236801147, 0.0930747538805008, 0.896162390708923, , , 2.49307489395142, 4.94489479064941, , 0.0, 0.0, -0.215236678719521, 0.0, , , 3.87270736694336, , 0.646330416202545, 0.160409450531006, 0.19245009124279, 2.83691382408142, 0.0, 1.15470051765442, 0.0, 0.0, 1.76171231269836, 0.0, 0.0, 0.75, 1.07993745803833, , , 0.0, , 0.384399861097336, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 268.040008544922, 0.0240562614053488, 0.0, 0.0335447043180466, 122.0, , 0.0, , , 66.7600021362305, 0.0, 1.0, 0.428571432828903, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 195.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.175366476178169, , , , 1.65096366405487, 5.0, , , 6.83080291748047, , , , 0.0, , 0.0, , 15.0978765487671, , 13.6604595184326, 56.0, 513.280578613281, 0.0, 0.0, , 0.0, 6.44297456741333, , 18.7670211791992, 0.655185341835022, 571.369995117188, , 0.0, 3.25174403190613, 19.3209190368652, , 0.252920776605606, 0.825481832027435, 738.917419433594, , 0.0, 2.19303369522095, , 16.3159580230713, 0.0, , 668.218933105469, 1.38662433624268, , 0.0306620299816132, 419.183258056641, 0.802601516246796, , 1.0, , 0.0, 0.0, 0.451205492019653, , 0.0, , , 0.172207355499268, 0.0, , 0.0575424358248711, 1.0, , 0.0, 
-InChI%3D1S%2FC9H18O%2Fc1-3-4-5-6-7-8-9%282%2910%2Fh3-8H2%2C1-2H3, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.102062076330185 0.102062076330185, 0.0, 0.20412415266037 0.20412415266037, 0.0721687823534012 0.0721687823534012, 0.0, 0.144337564706802 0.144337564706802, 0.0, 0.0, 0.0, 0.0510310381650925 0.0510310381650925, 0.0, 0.0, 7.0, 7.81999111175537, 0.0, 0.0, 0.121041655540466, 10.0, 4.77005577087402, 0.0, 0.0, -0.0234891343861818, 0.0, 1.0, 7.11111116409302, 0.0, 4.32192802429199, -0.0351925380527973, 0.40824830532074, 0.0, 0.0, 9.14285755157471, 3.59673547744751, 0.0, 0.0, 0.125, -0.00172985868994147, 0.0, 0.0, 0.0, 1.88502776622772, 0.0, 3.4082727432251, -0.000106062878330704, 0.0, 1.15613925457001, 0.0, 0.755928933620453, 0.0, 6.0, 0.692513883113861, 0.0, 0.0, 1.0, 0.40129292011261, 0.0, 0.0, 0.0, 1.0, 0.216506347060204, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 639.010009765625, 0.0, 0.0, 0.0, 111.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 158.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 7.47342491149902, 6.0, 0.0, 0.0, 2.00414514541626, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 10.7744693756104, 0.0, 9.33209228515625, 36.0, 412.594848632812, 0.0, 0.0, 0.0, 0.0, 7.15088891983032, 0.0, 9.66418361663818, 0.0, 392.928497314453, 0.0, 0.0, 4.26478433609009, 7.33209180831909, 0.0, 0.144337564706802, 0.0, 374.667388916016, 0.0, 0.0, 2.86622858047485, 0.0, 6.33209180831909, 0.0, , 302.905303955078, 1.63239216804504, 0.0, 0.0, 249.67350769043, 0.977498888969421, 0.0, 2.0, 0.0, 0.0, 0.0, 0.566196084022522, 0.0, 0.0, 0.0, 0.0, 0.311972737312317, 0.0, 0.0, 0.150515511631966, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H8Cl2O2%2Fc14-12-5-4-11%287-13%2812%2915%2917-10-3-1-2-9%286-10%298-16%2Fh1-8H, 0.0, 3.23105955123901, , , , , 0.0, 5.0, 2.33387970924377 2.33387970924377, 1.09406077861786 1.09406077861786, , 2.97453165054321 2.97453165054321, 1.00937259197235 1.00937259197235, , 3.86205959320068 3.86205959320068, , 0.0, 0.0, 1.07637071609497 1.07637071609497, 0.0, 0.0, 23.0, 12.2507123947144, 0.0, , 0.381754726171494, 13.4320983886719, 8.18587207794189, 0.0, , -0.120926335453987, , 0.0, 6.25, , 5.08746290206909, -0.0623124614357948, 1.08377695083618, 0.0, , 3.72889423370361, 7.17625284194946, , 0.0, 0.0, -0.0420256331562996, 0.0, , , 5.84220790863037, , 0.0, -0.0864340513944626, 0.16666667163372, 4.33170986175537, 0.0, 0.0, 0.0, 0.0, 3.44466972351074, 0.0, 0.0, 1.0, 2.07976794242859, , , 0.0, , 1.35886800289154, 7.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 404.040008544922, 0.0518340393900871, 0.0, 0.0917531400918961, 274.0, , 0.0, , , 26.2999992370605, 1.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , , 556.0, 0.0, 0.0, 0.151374712586403, 0.0, 0.302046418190002, , 0.0, 0.0, 8.4110107421875, 11.0, , , 13.8095893859863, , 0.0, , 0.0, , 0.0, , 33.9744453430176, , 22.8997497558594, 84.0, 1053.9765625, 0.0, 0.0, , 0.0, 10.203085899353, , 33.4674110412598, 0.0, 1191.32189941406, , 0.0, 5.62592029571533, 40.5122566223145, , 0.559634625911713, 0.200000002980232, 1552.82861328125, , 0.0, 4.18271827697754, , 25.4959201812744, 0.0, , 1411.50964355469, 2.85997247695923, , 0.107142858207226, 1025.44458007812, 1.61584985256195, , 0.0, , 0.0, 0.0, 1.0370796918869, , 0.0, , , 0.493082731962204, 0.0, , 0.250931710004807, 1.0, 0.0, 0.0, 
-InChI%3D1S%2FC8H8O3%2Fc1-11-7-4-2-3-6%285-9%298%287%2910%2Fh2-5%2C10H%2C1H3, 0.0, 2.38110160827637, , , , , 0.0, 3.0, 1.63915002346039 1.63915002346039, 0.429475396871567 0.429475396871567, , 2.42161870002747 2.42161870002747, 0.478892982006073 0.478892982006073, , 2.66466617584229 2.66466617584229, , 0.0, 0.0, 0.424698114395142 0.424698114395142, 0.0, 0.0, 15.0, 8.26758480072021, 0.0, , 0.396886914968491, 9.09090900421143, 5.29122352600098, 0.0, , -0.142051428556442, , 0.0, 4.13265323638916, , 4.45943164825439, -0.0689377188682556, 0.52578341960907, , , 1.9753086566925, 4.12667608261108, , 0.0, 0.0, 0.00371764600276947, 0.0, , , 3.68572473526001, , 0.961124539375305, -0.0713730230927467, 0.19245009124279, 2.70473051071167, 0.0, 1.04004192352295, 0.0, 0.0, 1.62027525901794, 0.0, 0.0, 1.0, 0.786432921886444, , , 0.0, , 0.406526267528534, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 251.029998779297, 0.0240562614053488, 0.0, 0.0344681032001972, 97.0, , 0.0, , , 46.5299987792969, 1.0, 1.0, 0.5, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 150.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.164266422390938, , , , 3.14734530448914, 5.0, , , 6.23320865631104, , , , 0.0, , 0.0, , 13.3234071731567, , 12.3283681869507, 50.0, 482.715423583984, 0.0, 0.0, , 0.0, 6.07311105728149, , 15.6604595184326, 0.25, 534.674194335938, , 0.0, 3.10437345504761, 18.0991134643555, , 0.198160603642464, 0.516397774219513, 678.915405273438, , 0.0, 2.015958070755, , 12.7670211791992, 0.0, , 622.16748046875, 1.3770934343338, , 0.0318100564181805, 336.411285400391, 0.799119412899017, , 1.0, , 0.0, 0.0, 0.425785154104233, , 0.0, , , 0.150117918848991, 0.0, , 0.0575552992522717, 1.0, , 0.0, 
-InChI%3D1S%2FC10H22N2%2Fc1-9%282%2C11%298-4-6-10%283%2C12%297-5-8%2Fh8H%2C4-7%2C11-12H2%2C1-3H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.15470051765442, 0.0, 3.06898856163025 3.06898856163025, 2.30213809013367 2.30213809013367, 0.0, 3.36135387420654 3.36135387420654, 2.44797587394714 2.44797587394714, 0.0, 3.32276844978333 3.32276844978333, 0.0, 0.0, 0.16666667163372, 2.4212372303009 2.4212372303009, 0.0, 0.0, 15.0, 9.40577697753906, 0.0, 0.0, 0.0502910949289799, 10.0833330154419, 5.31227827072144, 0.0, 0.0, -0.0120915835723281, 0.0, 0.0, 3.04709148406982, 0.0, 4.58496236801147, -0.0113337887451053, 2.71746969223022, 0.0, 0.0, 2.77777767181396, 6.30451250076294, 0.0, 0.0, 0.721124768257141, 0.00287771923467517, 0.538675129413605, 0.0, 0.0, 3.56389689445496, 0.0, 3.88832259178162, 0.000572712568100542, 0.433012694120407, 2.26529908180237, 0.0, 1.19055080413818, 0.144337564706802, 4.0, 1.66501092910767, 0.0, 2.68328166007996, 1.0, 1.53305554389954, 0.0, 0.0, 0.0, 0.0, 0.216506347060204, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 1024.02001953125, 0.0721687823534012, 0.0, 0.149919837713242, 110.0, 0.0, 0.0, 0.0, 0.0, 52.0400009155273, 0.0, 3.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 192.0, 0.0, 0.0, 0.0721687823534012, 0.0, 0.180421963334084, 0.0, 0.0, 0.0, 3.30192732810974, 4.0, 0.0, 0.0, 2.82842707633972, 0.0, 0.0, 0.0, 0.0, , 4.29827976226807, 0.0, 12.7199764251709, 0.0, 12.3323707580566, 62.0, 786.697631835938, 0.0, 1.0, 0.0, 0.0, 8.56047821044922, 0.0, 19.9971122741699, 0.0, 882.97705078125, 0.0, 2.0, 4.88962888717651, 15.664740562439, 0.0, 1.85760700702667, 0.0, 1233.36328125, 0.0, 0.0, 5.24967098236084, 0.0, 9.49855613708496, 0.311004221439362, , 971.455139160156, 3.18002581596375, 0.0, 0.311004221439362, 555.290466308594, 2.02128219604492, 0.0, 3.0, 0.0, 0.0833333358168602, 0.0, 1.45672941207886, 0.0, 0.0, 0.0, 0.0, 1.14967703819275, 0.0, 0.0, 0.186004236340523, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H14O3%2Fc1-4-10-5-6-11-8%289%297%282%293%2Fh2%2C4-6H2%2C1%2C3H3, 5.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.20710682868958 1.20710682868958, 0.244929805397987 0.244929805397987, 0.0, 0.617851138114929 0.617851138114929, 0.122160486876965 0.122160486876965, 0.0, 0.603553414344788 0.603553414344788, 0.0, 0.0, 0.0, 0.100987620651722 0.100987620651722, 0.0, 0.333333343267441, 10.0, 8.69023418426514, 0.0, 0.0, 0.452416032552719, 11.0, 5.180739402771, 0.0, 0.0, -0.276787459850311, 0.0, 2.0, 6.69421482086182, 0.0, 4.45943164825439, 0.0146207818761468, 0.569035589694977, 0.0, 0.0, 6.40000009536743, 4.07063627243042, 0.0, 0.0, 0.595275402069092, 0.125734999775887, 0.0, 0.0, 0.0, 2.65109062194824, 0.0, 2.27727842330933, -0.169114828109741, 0.235702261328697, 1.22642290592194, 0.0, 2.55426740646362, 0.0, 3.0, 0.742211937904358, 0.0, 0.0, 1.0, 0.429716378450394, 0.0, 0.0, 0.0, 1.0, 0.278838753700256, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 466.029998779297, 0.0, 0.0, 0.0, 124.0, 0.0, 1.0, 0.0, 0.0, 35.5299987792969, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 194.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.65096366405487, 0.0, 0.0, 0.0, 1.66881787776947, 0.0, 0.0, 0.0, 1.0, , 0.0, 2.0, 13.3234071731567, 0.0, 11.6604595184326, 42.0, 392.719024658203, 0.0, 0.0, 0.0, 0.0, 7.05317211151123, 0.0, 13.434928894043, 0.0, 383.820404052734, 0.0, 0.0, 3.58493375778198, 12.434928894043, 0.0, 0.218443363904953, 0.63245552778244, 401.39501953125, 0.0, 0.0, 2.11317276954651, 0.0, 7.99627590179443, 0.0, , 343.291046142578, 1.01341319084167, 0.0, 0.0294627826660872, 251.399200439453, 0.460827320814133, 0.0, 2.0, 0.0, 0.0, 0.0, 0.21334744989872, 0.0, 0.0, 0.0, 0.0, 0.0917870253324509, 0.0, 0.0, 0.0519075803458691, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H6BrN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2, 0.0, 0.333333343267441, , , , , 0.0, 2.0, 0.816496610641479 0.816496610641479, 0.489075571298599 0.489075571298599, , 0.760079681873322 0.760079681873322, 0.385721743106842 0.385721743106842, , 1.13807117938995 1.13807117938995, , 0.0, 0.0, 0.500585794448853 0.500585794448853, 0.0, 0.0, 7.0, 5.98312759399414, 0.0, , 0.0538970939815044, 6.125, 3.78769373893738, 0.0, , -0.0160047318786383, , 0.0, 2.51999998092651, , 4.0, -0.00254117953591049, 0.577350258827209, , , 1.79999995231628, 3.3650438785553, , 0.0, 0.0, -0.00167059688828886, 0.0, , , 2.30453038215637, , 0.0, -0.0244072899222374, 0.0, 1.4267463684082, 0.0, 0.0, 0.0, 0.0, 1.30473780632019, 0.0, 0.0, 0.666666686534882, 0.333333343267441, , , 0.0, , 0.0, 4.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 140.020004272461, 0.0277777779847383, 0.0, 0.0705919787287712, 58.0, , 0.0, , , 26.0200004577637, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 62.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.16666667163372, , , , 3.30192732810974, 6.0, , , 5.65685415267944, , , , 0.0, , 0.0, , 51.6180801391602, , 13.8188610076904, 36.0, 476.743927001953, 0.0, 0.0, , 0.0, 5.85071229934692, , 21.6377220153809, 0.0, 503.273559570312, , 1.0, 3.09202289581299, 18.6377220153809, , 0.423551887273788, 0.0, 590.605407714844, , 0.0, 2.46722674369812, , 7.81886053085327, 0.0, , 393.721466064453, 1.39867055416107, , 0.0, 108.16357421875, 0.72711306810379, , 0.0, , 0.0, 0.0, 0.600186705589294, , 0.0, , , 0.141183957457542, 0.0, , 0.0, 0.0, , 0.0, 
-InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.40824830532074 0.40824830532074, 0.115470051765442 0.115470051765442, 0.0, 0.433012694120407 0.433012694120407, 0.100000001490116 0.100000001490116, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.40577745437622, 0.0, 0.0, 0.126900359988213, 4.16666650772095, 2.8938467502594, 0.0, 0.0, -0.0846203714609146, 0.0, 0.0, 1.63265311717987, 0.0, 3.58496260643005, 0.0128357857465744, 0.288675129413605, 2.0, 0.0, 0.979591846466064, 2.38962864875793, 0.0, 0.0, 0.0, 0.00833440199494362, 0.0, 0.0, 0.0, 1.64384686946869, 0.0, 0.666666686534882, 0.0, 0.0, 1.12993609905243, 0.0, 1.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0333333350718021, 0.0, 0.0, 91.0199966430664, 0.0333333350718021, 0.0, 0.0, 29.0, 0.0, 0.0, 0.0, 0.0, 25.7800006866455, 0.0, 0.0, 0.333333343267441, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.0, 0.144337564706802, 0.0, 0.144337564706802, 0.0, 0.0, 0.0, 2.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 6.71997594833374, 0.0, 6.66474103927612, 26.0, 177.625076293945, 0.0, 0.0, 0.0, 0.0, 3.54912781715393, 0.0, 8.02472877502441, 0.0, 182.786804199219, 0.0, 0.0, 1.79694473743439, 2.0, 0.0, 0.100000001490116, 0.0, 206.013076782227, 0.0, 0.0, 1.10355484485626, 0.0, 0.0, 0.0, , 53.0506248474121, 0.589406788349152, 0.0, 0.0, 0.0, 0.315737873315811, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0666666701436043, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H6ClN%2Fc1-6-3-2-4-8%289%297%286%295-10%2Fh2-4H%2C1H3, 1.0, 2.38110160827637, , , , , 0.0, 3.0, 1.53953051567078 1.53953051567078, 0.719313383102417 0.719313383102417, , 2.45907616615295 2.45907616615295, 0.904225766658783 0.904225766658783, , 2.35705637931824 2.35705637931824, , 0.0, 0.0, 0.754548966884613 0.754548966884613, 0.0, 0.0, 13.0, 7.56047773361206, 0.0, , 0.142872869968414, 8.10000038146973, 4.75321865081787, 0.0, , -0.0170359220355749, , 0.0, 3.40828394889832, , 4.32192802429199, -0.0321604460477829, 0.607487261295319, 0.0, , 1.75, 3.95757436752319, , 0.0, 0.0, -0.0567133463919163, 0.0, , , 3.25214004516602, , 1.3731781244278, 0.0349977239966393, 0.19245009124279, 2.55553245544434, 0.0, 1.65096366405487, 0.0, 0.0, 1.23876953125, 0.0, 0.0, 0.666666686534882, 0.652908384799957, , , 0.0, , 0.19245009124279, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 166.020004272461, 0.0240562614053488, 0.0, 0.0633616298437119, 74.0, , 0.0, , , 23.7900009155273, 0.0, 2.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 112.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.184195280075073, , , , 2.94168281555176, 4.0, , , 6.4474196434021, , , , 0.0, , 0.0, , 18.0727424621582, , 12.1179227828979, 46.0, 551.184143066406, 0.0, 0.0, , 0.0, 6.31315803527832, , 17.0696601867676, 0.0, 608.357971191406, , 0.0, 3.28457045555115, 19.1875820159912, , 0.370500981807709, 0.0, 772.008728027344, , 0.0, 2.4507372379303, , 14.8443031311035, 0.0, , 663.305725097656, 1.64871752262115, , 0.0770002454519272, 303.427215576172, 1.03758001327515, , 1.0, , 0.0, 0.0, 0.42129710316658, , 1.0, , , 0.202794298529625, 1.0, , 0.0364250354468822, 0.0, , 0.0, 
-InChI%3D1S%2FC13H13NO%2Fc14-12-7-4-8-13%289-12%2915-10-11-5-2-1-3-6-11%2Fh1-9H%2C10%2C14H2, 1.0, 0.965489387512207, , , , , 0.0, 3.0, 1.21032977104187 1.21032977104187, 0.409280300140381 0.409280300140381, , 1.74684321880341 1.74684321880341, 0.462231695652008 0.462231695652008, , 2.01040077209473 2.01040077209473, , 0.0, 0.0, 0.433283030986786 0.433283030986786, 0.0, 0.0, 17.0, 10.5102252960205, 0.0, , 0.192089289426804, 11.484375, 7.34333658218384, 0.0, , -0.0843912214040756, , 0.0, 5.91499996185303, , 4.90689039230347, -0.0158413015305996, 0.696923434734344, 0.0, , 3.81096410751343, 6.21918916702271, , 0.0, 0.0, -0.0330576002597809, 0.0, , , 4.75290632247925, , 0.0, 0.0534950084984303, 0.0, 3.76913380622864, 0.0, 0.0, 0.0, 1.0, 2.87761092185974, 0.0, 0.0, 0.800000011920929, 1.5170863866806, , , 0.0, , 0.961336851119995, 9.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 631.02001953125, 0.0598527938127518, 0.0, 0.0500581972301006, 229.0, , 0.0, , , 35.25, 0.0, 1.0, 0.444444447755814, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 412.0, 0.0, 0.0, 0.185395404696465, 0.0, 0.214427679777145, , , , 13.0774021148682, 11.0, , , 10.4424104690552, , , , 0.0, , 0.0, , 16.1344566345215, , 16.8303699493408, 72.0, 813.228393554688, 0.0, 0.0, , 0.0, 8.3888578414917, , 21.3286457061768, 0.0, 893.828674316406, , 1.0, 4.86707878112793, 18.660737991333, , 0.282117545604706, 0.0, 1101.30541992188, , 0.0, 3.34676361083984, , 13.7159271240234, 0.0, , 936.406616210938, 2.10641884803772, , 0.0, 662.014221191406, 1.34523582458496, , 0.0, , 0.0, 0.0, 0.853196442127228, , 0.0, , , 0.344421952962875, 0.0, , 0.178317874670029, 0.0, , 0.0, 
-InChI%3D1S%2FC3H6O2.Na%2Fc1-2-3%284%295%3B%2Fh2H2%2C1H3%2C%28H%2C4%2C5%29%3B%2Fq%3B%2B1%2Fp-1, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 4.28445720672607, 0.0, 0.0, 0.267497152090073, 9.375, 2.27005553245544, 0.0, 0.0, -0.136074751615524, 0.0, 1.0, 5.0, 0.0, 3.58496260643005, 0.00861281715333462, 0.40824830532074, 0.0, 0.0, 12.0, 1.80209517478943, 0.0, 0.0, 0.0, -0.00628663599491119, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 1.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 51.0299987792969, 0.0, 0.0, 0.0, -589934592.0, 0.0, 0.0, 0.0, 0.0, 40.1300010681152, 0.0, 0.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5000000000.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 10.2127227783203, 0.0, 4.66418409347534, 16.0, 96.4982833862305, 0.0, 0.0, 0.0, 0.0, 2.61535501480103, 0.0, 5.43865299224854, 0.5, 83.2890625, 0.0, 0.0, 1.26478433609009, 2.66418385505676, 0.0, 0.0, 0.0, 69.9955902099609, 0.0, 0.0, 0.497890949249268, 0.0, 0.0, 0.0, , 31.2496662139893, 0.144337564706802, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H11NO%2Fc8-7-6-4-2-1-3-5-6%2Fh8H%2C1-5H2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.492799282073975 0.492799282073975, 0.208113878965378 0.208113878965378, 0.0, 0.594861328601837 0.594861328601837, 0.238415777683258 0.238415777683258, 0.0, 0.492799282073975 0.492799282073975, 0.0, 0.0, 0.0, 0.208113878965378 0.208113878965378, 0.0, 0.0, 7.0, 5.81999111175537, 0.0, 0.0, 0.0232657622545958, 6.125, 3.9318516254425, 0.0, 0.0, 0.0058974833227694, 0.0, 1.0, 3.11111116409302, 0.0, 4.0, -0.0105061186477542, 0.20412415266037, 0.0, 0.0, 1.79999995231628, 2.91228413581848, 0.0, 0.0, 0.0, -0.00612894864752889, 0.0, 0.0, 0.0, 2.30209517478943, 0.0, 0.0, -0.000845108355861157, 0.0, 1.59538793563843, 0.0, 0.0, 0.0, 5.0, 1.10517168045044, 0.0, 0.0, 0.666666686534882, 0.348461717367172, 0.0, 0.0, 0.0, 0.0, 0.144337564706802, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 305.019989013672, 0.0883883461356163, 0.0, 0.0395284704864025, 60.0, 0.0, 0.0, 0.0, 0.0, 32.5900001525879, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 64.0, 0.0, 0.0, 0.102062076330185, 1.0, 0.0721687823534012, 0.0, 0.0, 0.0, 6.08364343643188, 5.0, 0.0, 0.0, 3.04182171821594, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 9.13445663452148, 0.0, 8.719651222229, 34.0, 348.385192871094, 0.0, 0.0, 0.0, 0.0, 4.92996120452881, 0.0, 9.66446208953857, 0.0, 365.611114501953, 0.0, 0.0, 3.13071346282959, 7.99655437469482, 0.0, 0.111803397536278, 0.0, 411.458740234375, 0.0, 0.0, 2.22688794136047, 0.0, 3.83036923408508, 0.0, , 284.576232910156, 1.57213497161865, 0.0, 0.0, 92.2054672241211, 1.05989062786102, 0.0, 0.0, 0.0, 0.0, 0.0, 0.712844133377075, 1.0, 0.0, 0.0, 0.0, 0.129056945443153, 0.0, 0.0, 0.0353553406894207, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H5NO%2Fc1-2-3-4%2Fh2%2C4H%2C1H3, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 1.0, 3.41421365737915, 0.0, 0.0, 0.0278645977377892, 4.0, 1.91421353816986, 0.0, 0.0, 0.0015789350727573, 0.0, 0.0, 3.0, 0.0, 3.0, -0.0120510468259454, 0.0, 0.0, 0.0, 4.0, 1.0, 0.0, 0.0, 0.0, -0.00346018653362989, 0.0, 0.0, 0.0, 0.5, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 52.0200004577637, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.0, 0.0, 32.5900001525879, 1.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 5.13445711135864, 0.0, 3.719651222229, 10.0, 73.0121459960938, 0.0, 0.0, 0.0, 0.0, 2.47177743911743, 0.0, 2.49827718734741, 0.0, 56.7171516418457, 0.0, 0.0, 1.03554916381836, 1.33209192752838, 0.0, 0.0, 0.0, 35.2178611755371, 0.0, 0.0, 0.373668938875198, 0.0, 0.0, 0.0, , 14.790958404541, 0.115470051765442, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12ClN.ClH%2Fc7-3-6-8-4-1-2-5-8%3B%2Fh1-6H2%3B1H, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.433012694120407 0.433012694120407, 0.335410207509995 0.335410207509995, 0.0, 0.654647946357727 0.654647946357727, 0.522057831287384 0.522057831287384, 0.0, 0.348461717367172 0.348461717367172, 0.0, 0.0, 0.0, 0.291087687015533 0.291087687015533, 0.0, 0.0, 5.0, 5.81999111175537, 0.0, 0.0, 0.141942262649536, 9.0, 3.9318516254425, 0.0, 0.0, -0.0716133192181587, 0.0, 0.0, 4.83950614929199, 0.0, 4.16992521286011, -0.044579342007637, 0.20412415266037, 0.0, 0.0, 2.88000011444092, 2.93915748596191, 0.0, 0.0, 0.0, 0.0684031695127487, 0.0, 0.0, 0.0, 2.17166829109192, 0.0, 0.0, -0.0171613190323114, 0.0, 1.70728635787964, 0.0, 0.0, 0.0, 6.0, 0.696923434734344, 0.0, 0.0, 999.0009765625, 0.348461717367172, 0.0, 0.0, 0.0, 0.0, 0.144337564706802, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.111803397536278, 0.0, 0.0, 369.029998779297, 0.079056940972805, 0.0, 0.0559016987681389, -1179869184.0, 0.0, 0.0, 0.0, 0.0, 3.24000000953674, 0.0, 0.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8000000000.0, 0.144337564706802, 0.0, 0.102062076330185, 0.0, 0.0721687823534012, 0.0, 0.0, 0.0, 7.38313722610474, 2.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 24.7854957580566, 0.0, 10.4502935409546, 34.0, 409.889038085938, 0.0, 0.0, 0.0, 0.0, 7.04849243164062, 0.0, 11.4502935409546, 0.0, 418.554473876953, 0.0, 0.0, 3.75046706199646, 7.44227266311646, 0.0, 0.15811388194561, 0.0, 471.319366455078, 0.0, 0.0, 2.61569428443909, 0.0, 7.90347480773926, 0.0, , 252.324783325195, 1.76845729351044, 0.0, 0.0, 174.441711425781, 1.36479914188385, 0.0, 0.0, 0.0, 0.0, 0.0, 0.569774031639099, 0.0, 0.0, 0.0, 0.0, 0.291087687015533, 0.0, 0.0, 0.12677313387394, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H13N%2Fc1-3-10-9-6-4-5-8%282%297-9%2Fh4-7%2C10H%2C3H2%2C1-2H3, 3.0, 0.5, , , , , 0.0, 2.0, 0.777317047119141 0.777317047119141, 0.328263133764267 0.328263133764267, , 1.21420383453369 1.21420383453369, 0.43341326713562 0.43341326713562, , 1.30219197273254 1.30219197273254, , 0.0, 0.0, 0.39789667725563, 0.0, 0.0, 10.0, 7.39734125137329, 0.0, , 0.0623462572693825, 8.10000038146973, 4.8256983757019, 0.0, , -0.03105828166008, , 0.0, 4.0, , 4.32192802429199, -0.0051124426536262, 0.492799282073975, , , 2.65088748931885, 3.92647814750671, , , 0.16666667163372, 0.00400028889998794, 0.0, , , 2.7419216632843, , 3.11784672737122, 0.000925129861570895, 0.0, 2.23016285896301, 0.0, 1.54438960552216, 0.0, 1.0, 1.4678041934967, 0.0, 0.0, 1.0, 0.788948774337769, , , 0.0, , 0.260110020637512, 4.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.0, 439.010009765625, 0.0277777779847383, 0.0, 0.0416666679084301, 92.0, , 0.0, , , 12.0299997329712, 0.0, 1.0, 0.5, 0.0, 0.0, , , , 0.0, 0.0, 0.0, , , 124.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.142258897423744, , , , 4.32963848114014, 5.0, , , 5.67623996734619, , , , 0.0, , 0.0, , 10.3599882125854, , 10.3323707580566, 44.0, 519.255737304688, 0.0, 0.0, , 0.0, 6.51650762557983, , 12.498556137085, 0.0, 551.062561035156, , 0.0, 3.63202738761902, 10.3323707580566, , 0.25, 0.0, 654.420471191406, , 0.0, 2.39980983734131, , 7.33237028121948, 0.0, , 529.602111816406, 1.39897406101227, , 0.0, 322.82080078125, 0.959148287773132, , 2.0, , 0.0, 0.0, 0.535475373268127, , 0.0, , , 0.255924791097641, 0.0, , 0.0706728920340538, 0.0, , 0.0, 
-InChI%3D1S%2FC8H19N%2Fc1-7%282%2C3%296-8%284%2C5%299%2Fh6%2C9H2%2C1-5H3, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.06066012382507 1.06066012382507, 0.9112309217453 0.9112309217453, 0.0, 3.5355339050293 3.5355339050293, 2.78838777542114 2.78838777542114, 0.0, 2.65165042877197 2.65165042877197, 0.0, 0.0, 0.0, 1.90450417995453 1.90450417995453, 0.0, 0.0, 6.0, 7.707106590271, 0.0, 0.0, 0.0251940470188856, 9.0, 3.70710682868958, 0.0, 0.0, -0.00602218974381685, 0.0, 0.0, 2.31952667236328, 0.0, 4.16992521286011, -0.00643761642277241, 3.12132024765015, 0.0, 0.0, 8.0, 5.29809713363647, 0.0, 0.0, 3.29876971244812, -0.000122557787108235, 0.70710676908493, 0.0, 0.0, 1.06066012382507, 0.0, 2.5, -1.46594538819045e-05, 0.0, 1.5909903049469, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.77350282669067, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 657.010009765625, 0.0, 0.0, 0.0, 52.0, 0.0, 0.0, 0.0, 0.0, 26.0200004577637, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 88.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 9.35998821258545, 0.0, 8.16618537902832, 42.0, 493.097991943359, 0.0, 0.0, 0.0, 0.0, 7.28445720672607, 0.0, 13.498556137085, 0.0, 513.050903320312, 0.0, 1.0, 3.49578189849854, 6.16618537902832, 0.0, 2.61113691329956, 0.0, 673.202880859375, 0.0, 0.0, 4.72601795196533, 0.0, 9.49855613708496, 0.557677507400513, , 352.305419921875, 0.985945522785187, 0.0, 0.0, 373.756896972656, 1.3668464422226, 0.0, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H18O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7-8%2C11H%2C4-6H2%2C1-3H3%2Ft7-%2C8%2B%2C10%2B%2Fm0%2Fs1, 3.0, 0.5, 0.0, 0.0, 0.0, 0.0, 2.82842707633972, 0.0, 5.36296319961548 5.36296319961548, 4.79972982406616 4.79972982406616, 0.0, 7.61985778808594 7.61985778808594, 6.45046854019165 6.45046854019165, 0.0, 8.86732292175293 8.86732292175293, 0.0, 0.0, 0.0, 6.92865657806396 6.92865657806396, 0.0, 0.0, 19.0, 8.27602100372314, 0.0, 0.0, 0.0751043036580086, 7.63888883590698, 4.98299884796143, 0.0, 0.0, -0.0243192762136459, 0.0, 0.0, 1.83673465251923, 0.0, 4.45943164825439, -0.0110853081569076, 1.80311250686646, 0.0, 0.0, 0.665972948074341, 5.51150321960449, 0.0, 0.0, 1.14471423625946, -0.00206686905585229, 0.246399641036987, 0.0, 0.0, 5.23045110702515, 0.0, 3.13824582099915, -8.06973621365614e-05, 1.51906180381775, 3.60421967506409, 0.0, 2.44948983192444, 0.608571767807007, 3.0, 2.29124045372009, 0.0, 4.24264049530029, 1.0, 1.21065533161163, 0.0, 0.0, 0.0, 0.0, 0.436886727809906, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.131094351410866, 0.0, 2.0, 790.010009765625, 0.654591977596283, 0.0, 1.37731492519379, 73.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 1.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 123.0, 0.131094351410866, 0.0, 0.687165200710297, 0.0, 1.57670629024506, 0.0, 0.0, 0.0, 1.65096366405487, 4.0, 0.0, 0.0, 3.96540641784668, 0.0, 0.0, 0.0, 0.0, , 3.36738610267639, 0.0, 11.7744693756104, 0.0, 12.3320922851562, 66.0, 778.283996582031, 0.0, 2.0, 0.0, 0.0, 7.7232346534729, 0.0, 21.6641845703125, 0.0, 963.324462890625, 0.0, 0.0, 4.66384744644165, 20.3283672332764, 0.0, 1.69027543067932, 0.0, 1571.09948730469, 0.0, 0.0, 5.12625312805176, 0.0, 3.99627590179443, 0.246399641036987, , 1103.90551757812, 4.74795722961426, 0.0, 1.34296154975891, 123.357772827148, 3.16151285171509, 0.0, 3.0, 0.0, 0.568677842617035, 0.0, 1.95201563835144, 1.0, 0.0, 0.0, 0.0, 1.04383718967438, 0.0, 0.0, 0.325674682855606, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3, 3.0, 1.65096366405487, , , , , 0.0, 3.0, 1.47827804088593 1.47827804088593, 0.790402293205261 0.790402293205261, , 1.55802857875824 1.55802857875824, 0.711787641048431 0.711787641048431, , 2.07593297958374 2.07593297958374, , 0.0, 0.0, 0.838514804840088 0.838514804840088, 0.0, 0.0, 10.0, 6.85337114334106, 0.0, , 0.0, 7.11111116409302, 4.19837713241577, 0.0, , 0.0, , 0.0, 2.72222232818604, , 4.16992521286011, 0.0, 0.760079681873322, 0.0, , 1.70414197444916, 3.87279200553894, , 0.0, 0.766309440135956, 0.0, 0.0, , , 2.86036610603333, , 3.47938084602356, 0.0, 0.16666667163372, 1.81676292419434, 0.0, 4.44149208068848, 0.0, 0.0, 1.33160018920898, 0.0, 0.0, 0.666666686534882, 0.504473328590393, , , 0.0, , 0.0680413842201233, 3.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, 369.0, 0.0240562614053488, 0.0, 0.0721687823534012, 67.0, , 0.0, , , 0.0, 0.0, 3.0, 0.400000005960464, 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 84.0, 0.0, 0.0, 0.0680413842201233, 0.0, 0.20412415266037, , , 0.0, 1.65096366405487, 3.0, , , 5.85380077362061, , , , 0.0, , 0.0, , 9.0, , 9.0, 42.0, 487.7451171875, 0.0, 0.0, , 0.0, 6.23205089569092, , 12.0, 0.0, 525.672973632812, , 0.0, 3.23803377151489, 10.0, , 0.455341815948486, 0.0, 663.194458007812, , 0.0, 2.58771324157715, , 4.0, 0.0, , 510.820190429688, 1.66241073608398, , 0.0833333358168602, 182.159240722656, 0.891346037387848, , 3.0, , 0.0, 0.0, 0.562731385231018, , 0.0, , , 0.186004236340523, 0.0, , 0.0240562614053488, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC5H10O2%2Fc1-3-4-7-5%282%296%2Fh3-4H2%2C1-2H3, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.0589255653321743 0.0589255653321743, 0.0, 0.20412415266037 0.20412415266037, 0.0416666679084301 0.0416666679084301, 0.0, 0.20412415266037 0.20412415266037, 0.0, 0.0, 0.0, 0.0416666679084301 0.0416666679084301, 0.0, 0.0, 4.0, 5.69867038726807, 0.0, 0.0, 0.270854920148849, 7.0, 3.27005553245544, 0.0, 0.0, -0.165354937314987, 0.0, 1.0, 4.16666650772095, 0.0, 3.80735492706299, 0.0505950078368187, 0.40824830532074, 0.0, 0.0, 6.0, 2.53607535362244, 0.0, 0.0, 0.200000002980232, -0.0157460998743773, 0.0, 0.0, 0.0, 1.13502776622772, 0.0, 1.80720400810242, -0.00447178957983851, 0.0, 0.61237245798111, 0.0, 1.0, 0.0, 2.0, 0.40824830532074, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 214.020004272461, 0.0, 0.0, 0.0, 47.0, 0.0, 0.0, 0.0, 0.0, 26.2999992370605, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 52.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 8.54893779754639, 0.0, 6.99627590179443, 24.0, 192.582672119141, 0.0, 0.0, 0.0, 0.0, 4.73071002960205, 0.0, 7.77074480056763, 0.0, 174.898086547852, 0.0, 0.0, 2.40403032302856, 4.66418409347534, 0.0, 0.0833333358168602, 0.5, 160.859359741211, 0.0, 0.0, 1.34004330635071, 0.0, 3.33209204673767, 0.0, , 110.370445251465, 0.509449362754822, 0.0, 0.0, 76.2125625610352, 0.245790809392929, 0.0, 2.0, 0.0, 0.0, 0.0, 0.143728733062744, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H12O2%2Fc1-5%282%297%288%299-6%283%294%2Fh6H%2C1H2%2C2-4H3, 3.0, 1.65096366405487, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.41222512722015 1.41222512722015, 0.357374399900436 0.357374399900436, 0.0, 1.05219888687134 1.05219888687134, 0.237883880734444 0.237883880734444, 0.0, 1.36082768440247 1.36082768440247, 0.0, 0.0, 0.0, 0.307125389575958 0.307125389575958, 0.0, 0.0, 8.0, 7.43915748596191, 0.0, 0.0, 0.263841599225998, 9.0, 4.03658103942871, 0.0, 0.0, -0.178885534405708, 0.0, 2.0, 3.92000007629395, 0.0, 4.16992521286011, 0.0834374949336052, 0.977283895015717, 0.0, 0.0, 4.5, 3.85084986686707, 0.0, 0.0, 1.62865054607391, -0.0292562339454889, 0.0, 0.0, 0.0, 1.98126077651978, 0.0, 0.0, -0.00972561351954937, 0.235702261328697, 1.0157356262207, 0.0, 5.60793161392212, 0.0, 0.0, 0.544331073760986, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 328.019989013672, 0.0, 0.0, 0.0, 63.0, 0.0, 1.0, 0.0, 0.0, 26.2999992370605, 0.0, 0.0, 0.400000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 96.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, , 0.0, 1.0, 10.5489377975464, 0.0, 8.99627590179443, 36.0, 343.741729736328, 0.0, 1.0, 0.0, 0.0, 6.10095357894897, 0.0, 12.1028366088867, 0.0, 339.413970947266, 0.0, 0.0, 2.9022045135498, 9.66045951843262, 0.0, 0.454145610332489, 0.5, 378.554138183594, 0.0, 0.0, 2.23439359664917, 0.0, 6.66418409347534, 0.0, , 287.789184570312, 0.691202044487, 0.0, 0.0294627826660872, 209.351364135742, 0.314668416976929, 0.0, 3.0, 0.0, 0.0, 0.0, 0.201184466481209, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H12O%2Fc1-3-5-6-7%288%294-2%2Fh2%2C7-8H%2C3%2C5-6H2%2C1H3, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.492799282073975 0.492799282073975, 0.117254346609116 0.117254346609116, 0.0, 0.348461717367172 0.348461717367172, 0.082911342382431 0.082911342382431, 0.0, 0.288675129413605 0.288675129413605, 0.0, 0.0, 0.0, 0.0719958618283272 0.0719958618283272, 0.0, 0.0, 6.0, 6.40577745437622, 0.0, 0.0, 0.0947911664843559, 8.0, 3.80806040763855, 1.0, 0.0, -0.0441078767180443, 0.0, 0.0, 5.14285707473755, 0.0, 4.0, -0.00416907155886292, 0.288675129413605, 0.0, 0.0, 5.0, 2.65564846992493, 0.0, 0.0, 0.16666667163372, 0.000961047306191176, 0.0, 0.0, 0.0, 1.74740028381348, 0.0, 3.13459134101868, -7.76457018218935e-05, 0.0, 0.75670999288559, 0.0, 0.70710676908493, 0.0, 3.0, 0.492799282073975, 0.0, 0.0, 1.0, 0.144337564706802, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 305.010009765625, 0.0, 0.0, 0.0, 63.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 76.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.14734530448914, 4.0, 0.0, 0.0, 2.55577230453491, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 8.77446937561035, 0.0, 7.33209180831909, 28.0, 290.268768310547, 0.0, 1.0, 0.0, 0.0, 5.2232346534729, 0.0, 7.66418409347534, 0.0, 275.775817871094, 0.0, 0.0, 2.95090413093567, 6.66418409347534, 0.0, 0.0912870913743973, 0.0, 262.779266357422, 0.0, 0.0, 1.82469296455383, 0.0, 4.33209180831909, 0.0, , 206.448318481445, 1.02350127696991, 0.0, 0.0, 133.453216552734, 0.480806648731232, 0.0, 1.0, 0.0, 0.0, 0.0, 0.252274721860886, 1.0, 1.0, 0.0, 0.0, 0.0589255653321743, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H13N%2Fc1-4%282%295%283%296%2Fh4-5H%2C6H2%2C1-3H3, 3.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.33333337306976 1.33333337306976, 0.910683631896973 0.910683631896973, 0.0, 0.0 0.0, 0.0 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 5.154700756073, 0.0, 0.0, 0.0269859880208969, 6.0, 2.64273452758789, 0.0, 0.0, -0.00865465402603149, 0.0, 0.0, 2.22222232818604, 0.0, 3.58496260643005, -0.00449029682204127, 0.666666686534882, 0.0, 0.0, 3.0, 2.48803377151489, 0.0, 0.0, 1.14471423625946, -0.000348042667610571, 0.0, 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 4.24264049530029, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 294.010009765625, 0.0, 0.0, 0.0, 24.0, 0.0, 0.0, 0.0, 0.0, 26.0200004577637, 0.0, 1.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 29.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 6.35998821258545, 0.0, 5.16618537902832, 22.0, 239.745712280273, 0.0, 2.0, 0.0, 0.0, 4.73205089569092, 0.0, 6.33237028121948, 0.0, 225.758651733398, 0.0, 1.0, 2.39871740341187, 4.33237028121948, 0.0, 0.52578341960907, 0.0, 232.482452392578, 0.0, 0.0, 2.10313367843628, 0.0, 0.0, 0.0, , 126.55876159668, 1.05156683921814, 0.0, 0.19245009124279, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
\ No newline at end of file
diff --git a/5x_cv/MDD_constitutional.csv b/5x_cv/MDD_constitutional.csv
deleted file mode 100644
index 2de8ad0..0000000
--- a/5x_cv/MDD_constitutional.csv
+++ /dev/null
@@ -1,1216 +0,0 @@
-SMILES,AMR,LipinskiFailures,nAtomLAC,ALogp2,LipinksiFailures,nAtomP,nHBDon,nB,nAromBond,nAtomLC,naAromAtom,ALogP,nRotB,MLogP,nAtom,XLogP
-InChI%3D1S%2FC22H25N3O4S%2Fc1-2-29-22%2827%2923-16-7-8-20-18%2815-16%2925%2817-5-3-4-6-19%2817%2930-20%2921%2826%299-10-24-11-13-28-14-12-24%2Fh3-8%2C15H%2C2%2C9-14H2%2C1H3%2C%28H%2C23%2C27%29, 67.6804962158203, 0.0, 3.0, 0.532316148281097, , 19.0, 1.0, 33.0, 12.0, 6.0, 12.0, 0.729600012302399, 7.0, 3.0, 55.0, 3.6489999294281
-InChI%3D1S%2FC17H22NOS2.BrH%2Fc1-18%282%2911-13%2810-14%2812-18%2919-3%2917%2815-6-4-8-20-15%2916-7-5-9-21-16%3B%2Fh4-9%2C14H%2C10-12H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, , 0.0, 0.0, , , 12.0, 0.0, 23.0, 10.0, 2.0, 10.0, , 3.0, 2.77999997138977, 44.0, 3.69099998474121
-InChI%3D1S%2FC26H27NO10%2Fc1-9-21%2830%2913%2827%296-16%2836-9%2937-15-8-26%2835%2C10%282%2928%297-12-18%2815%2925%2834%2920-19%2823%2812%2932%2922%2831%2911-4-3-5-14%2829%2917%2811%2924%2820%2933%2Fh3-5%2C9%2C13%2C15-16%2C21%2C29-30%2C32%2C34-35H%2C6-8%2C27H2%2C1-2H3%2Ft9-%2C13%3F%2C15-%2C16-%2C21%2B%2C26-%2Fm0%2Fs1, 78.8345031738281, 1.0, 0.0, 17.2665176391602, , 19.0, 6.0, 41.0, 12.0, 2.0, 12.0, -4.15530014038086, 3.0, 3.10999989509583, 64.0, -1.5900000333786
-InChI%3D1S%2FC7H8O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5%2C8H%2C6H2, 7.27680015563965, 0.0, 0.0, 0.201331689953804, , 6.0, 1.0, 8.0, 6.0, 2.0, 6.0, -0.44870001077652, 1.0, 2.11999988555908, 16.0, 2.40899991989136
-InChI%3D1S%2FC11H17NO%2Fc1-9%2812-2%298-10-6-4-5-7-11%2810%2913-3%2Fh4-7%2C9%2C12H%2C8H2%2C1-3H3, 30.4745006561279, 0.0, 3.0, 0.0940035581588745, , 7.0, 1.0, 13.0, 6.0, 5.0, 6.0, -0.306600004434586, 4.0, 2.45000004768372, 30.0, 2.68400001525879
-InChI%3D1S%2FC5H11NO2%2Fc1-3-5%282%294-8-6-7%2Fh5H%2C3-4H2%2C1-2H3, 28.8693008422852, 0.0, 4.0, 4.58430910110474, , 3.0, 0.0, 7.0, 0.0, 8.0, 0.0, -2.14109992980957, 4.0, 1.67999994754791, 19.0, 2.49900007247925
-InChI%3D1S%2FC21H28N2O5%2Fc1-23%282%2910-11-28-17-8-6-15%287-9-17%2914-22-21%2824%2916-12-18%2825-3%2920%2827-5%2919%2813-16%2926-4%2Fh6-9%2C12-13H%2C10-11%2C14H2%2C1-5H3%2C%28H%2C22%2C24%29, 60.2840995788574, 0.0, 2.0, 0.131551295518875, , 12.0, 1.0, 29.0, 12.0, 6.0, 12.0, -0.36269998550415, 10.0, 3.0, 56.0, 2.59299993515015
-InChI%3D1S%2FC18H37N5O9%2Fc19-3-9-8%2825%292-7%2822%2917%2829-9%2931-15-5%2820%291-6%2821%2916%2814%2815%2928%2932-18-13%2827%2911%2823%2912%2826%2910%284-24%2930-18%2Fh5-18%2C24-28H%2C1-4%2C19-23H2%2Ft5-%2C6%2B%2C7%3F%2C8-%2C9%3F%2C10%2B%2C11-%2C12%2B%2C13%2B%2C14-%2C15%3F%2C16-%2C17%2B%2C18%3F%2Fm0%2Fs1, 102.787300109863, 2.0, 0.0, 57.1626739501953, , 0.0, 10.0, 34.0, 0.0, 2.0, 0.0, -7.56059980392456, 6.0, 1.89999997615814, 69.0, -5.38100004196167
-InChI%3D1S%2FC14H14N2O%2Fc1-14%282%2C12-6-4-8-16-10-12%2913%2817%2911-5-3-7-15-9-11%2Fh3-10H%2C1-2H3, 18.9706993103027, 0.0, 3.0, 0.423020154237747, , 8.0, 0.0, 18.0, 12.0, 5.0, 12.0, 0.65039998292923, 3.0, 2.67000007629395, 31.0, 2.10500001907349
-InChI%3D1S%2FC12H12N2O2S%2Fc13-9-1-5-11%286-2-9%2917%2815%2C16%2912-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, 17.0858001708984, 0.0, 0.0, 3.70562505722046, , 17.0, 2.0, 18.0, 12.0, 2.0, 12.0, -1.92499995231628, 2.0, 2.23000001907349, 29.0, 1.23300004005432
-InChI%3D1S%2FC18H21NO3%2Fc1-19-8-7-18-11-4-5-13%2820%2917%2818%2922-16-14%2821-2%296-3-10%2815%2816%2918%299-12%2811%2919%2Fh3-6%2C11-13%2C17%2C20H%2C7-9H2%2C1-2H3%2Ft11%3F%2C12%3F%2C13-%2C17%3F%2C18%2B%2Fm0%2Fs1, 60.8292999267578, 0.0, 0.0, 0.0952339619398117, , 8.0, 1.0, 26.0, 6.0, 2.0, 6.0, -0.308600008487701, 1.0, 3.0, 43.0, 1.31500005722046
-InChI%3D1S%2FC29H39FO7%2Fc1-6-8-25%2835%2937-29%2823%2833%2916-36-24%2834%297-2%2917%283%2913-21-20-10-9-18-14-19%2831%2911-12-26%2818%2C4%2928%2820%2C30%2922%2832%2915-27%2821%2C29%295%2Fh11-12%2C14%2C17%2C20-22%2C32H%2C6-10%2C13%2C15-16H2%2C1-5H3%2Ft17-%2C20-%2C21%3F%2C22-%2C26-%2C27-%2C28%3F%2C29-%2Fm0%2Fs1, 132.556900024414, 0.0, 4.0, 0.103297956287861, , 6.0, 1.0, 40.0, 0.0, 8.0, 0.0, -0.321399986743927, 9.0, 3.76999998092651, 76.0, 3.26399993896484
-InChI%3D1S%2FC23H31FO6%2Fc1-13%2825%2930-12-19%2828%2922%2829%299-7-16-17-5-4-14-10-15%2826%296-8-20%2814%2C2%2923%2817%2C24%2918%2827%2911-21%2816%2C22%293%2Fh10%2C16-18%2C27%2C29H%2C4-9%2C11-12H2%2C1-3H3%2Ft16%3F%2C17-%2C18-%2C20-%2C21-%2C22-%2C23%3F%2Fm0%2Fs1, 105.120796203613, 0.0, 2.0, 0.263579547405243, , 4.0, 2.0, 33.0, 0.0, 7.0, 0.0, -0.513400018215179, 4.0, 3.22000002861023, 61.0, 0.684000015258789
-InChI%3D1S%2FC10H12ClN5O3%2Fc11-10-14-8%2812%297-9%2815-10%2916%283-13-7%296-1-4%2818%295%282-17%2919-6%2Fh3-6%2C17-18H%2C1-2H2%2C%28H2%2C12%2C14%2C15%29%2Ft4-%2C5%3F%2C6%2B%2Fm0%2Fs1, 37.4575996398926, 0.0, 0.0, 3.08634614944458, , 9.0, 4.0, 21.0, 10.0, 2.0, 6.0, -1.75680005550385, 2.0, 1.57000005245209, 31.0, -0.691999971866608
-InChI%3D1S%2FC12H13N3O2%2Fc1-9-7-11%2815-17-9%2912%2816%2914-13-8-10-5-3-2-4-6-10%2Fh2-7%2C13H%2C8H2%2C1H3%2C%28H%2C14%2C16%29, 22.8052997589111, 0.0, 0.0, 0.574867248535156, , 6.0, 3.0, 18.0, 11.0, 5.0, 6.0, -0.758199989795685, 5.0, 2.23000001907349, 30.0, 3.76900005340576
-InChI%3D1S%2FC6H12O6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-12H%2Ft1-%2C2%2B%2C3-%2C4%3F%2C5%3F%2C6%2B, 35.7750015258789, 1.0, 0.0, 9.38932132720947, , 0.0, 6.0, 12.0, 0.0, 0.0, 0.0, -3.06419992446899, 0.0, 1.46000003814697, 24.0, -1.45799994468689
-InChI%3D1S%2FC13H24N4O3S%2Fc1-13%282%2C3%2914-8-10%2818%299-20-12-11%2815-21-16-12%2917-4-6-19-7-5-17%2Fh10%2C14%2C18H%2C4-9H2%2C1-3H3%2Ft10-%2Fm0%2Fs1, 70.9658966064453, 0.0, 3.0, 0.218743294477463, , 7.0, 4.0, 22.0, 5.0, 10.0, 5.0, 0.467700004577637, 7.0, 2.00999999046326, 45.0, 0.254000008106232
-InChI%3D1S%2FC17H19ClN2S%2Fc1-19%282%2910-5-11-20-14-6-3-4-7-16%2814%2921-17-9-8-13%2818%2912-15%2817%2920%2Fh3-4%2C6-9%2C12H%2C5%2C10-11H2%2C1-2H3, 42.9345016479492, 0.0, 3.0, 1.69286119937897, , 13.0, 0.0, 23.0, 12.0, 6.0, 12.0, 1.30110001564026, 4.0, 2.89000010490417, 40.0, 4.45699977874756
-InChI%3D1S%2FC22H28N2O2%2Fc1-17-5-3-4-15-24%2817%2916-14-18-6-10-20%2811-7-18%2923-22%2825%2919-8-12-21%2826-2%2913-9-19%2Fh6-13%2C17H%2C3-5%2C14-16H2%2C1-2H3%2C%28H%2C23%2C25%29, 50.5978012084961, 1.0, 2.0, 0.496320247650146, , 16.0, 1.0, 28.0, 12.0, 3.0, 12.0, -0.704500019550323, 6.0, 3.44000005722046, 54.0, 5.52199983596802
-InChI%3D1S%2FC19H15NO6%2Fc1-11%2821%2910-15%2812-6-8-13%289-7-12%2920%2824%2925%2917-18%2822%2914-4-2-3-5-16%2814%2926-19%2817%2923%2Fh2-9%2C15%2C22H%2C10H2%2C1H3, 37.6540985107422, 0.0, 4.0, 1.09516227245331, , 9.0, 1.0, 28.0, 12.0, 5.0, 12.0, -1.04649996757507, 5.0, 2.77999997138977, 43.0, 3.70099997520447
-InChI%3D1S%2FC7H8ClN3O4S2%2Fc8-4-1-5-7%282-6%284%2916%289%2C12%2913%2917%2814%2C15%2911-3-10-5%2Fh1-2%2C10-11H%2C3H2%2C%28H2%2C9%2C12%2C13%29, 35.4327011108398, 0.0, 0.0, 2.38270092010498, , 15.0, 3.0, 18.0, 6.0, 3.0, 6.0, -1.54359996318817, 1.0, 1.12999999523163, 25.0, -1.26300001144409
-InChI%3D1S%2FC28H44O3%2Fc1-3-4-5-6-7-8-9-10-27%2830%2931-26-16-15-25-24-13-11-20-19-21%2829%2912-14-22%2820%2923%2824%2917-18-28%2825%2C26%292%2Fh19%2C22-26H%2C3-18H2%2C1-2H3%2Ft22-%2C23%2B%2C24%3F%2C25-%2C26-%2C28-%2Fm0%2Fs1, 110.760902404785, 1.0, 10.0, 2.83686637878418, , 4.0, 0.0, 34.0, 0.0, 12.0, 0.0, -1.6842999458313, 10.0, 4.21000003814697, 75.0, 8.19900035858154
-InChI%3D1S%2FC14H11NO5%2Fc1-8-2-4-9%285-3-8%2913%2817%2910-6-11%2815%2819%2920%2914%2818%2912%2816%297-10%2Fh2-7%2C16%2C18H%2C1H3, 18.8631000518799, 0.0, 0.0, 0.346920996904373, , 19.0, 2.0, 21.0, 12.0, 2.0, 12.0, -0.58899998664856, 3.0, 2.33999991416931, 31.0, 4.61499977111816
-InChI%3D1S%2FC21H23BrFNO2%2Fc22-18-7-5-17%286-8-18%2921%2826%2911-14-24%2815-12-21%2913-1-2-20%2825%2916-3-9-19%2823%2910-4-16%2Fh3-10%2C26H%2C1-2%2C11-15H2, 50.0037994384766, 0.0, 4.0, 0.177830889821053, , 8.0, 1.0, 28.0, 12.0, 5.0, 12.0, -0.421700000762939, 6.0, 3.22000002861023, 49.0, 4.83500003814697
-InChI%3D1S%2FC11H12N2O2%2Fc1-2-13-10%2814%299%2812-11%2813%2915%298-6-4-3-5-7-8%2Fh3-7%2C9H%2C2H2%2C1H3%2C%28H%2C12%2C15%29, 29.2322998046875, 0.0, 2.0, 5.76000002183719e-06, , 6.0, 1.0, 16.0, 6.0, 2.0, 6.0, -0.00240000011399388, 2.0, 2.23000001907349, 27.0, 2.43799996376038
-InChI%3D1S%2FC24H34N2O%2Fc1-21%282%2919-27-20-24%2825-15-9-10-16-25%2918-26%2823-13-7-4-8-14-23%2917-22-11-5-3-6-12-22%2Fh3-8%2C11-14%2C21%2C24H%2C9-10%2C15-20H2%2C1-2H3, 59.1772003173828, 1.0, 3.0, 0.0124545600265265, , 7.0, 0.0, 29.0, 12.0, 10.0, 12.0, -0.111599996685982, 10.0, 3.76999998092651, 61.0, 6.7979998588562
-InChI%3D1S%2FC8H9NO5%2Fc10-2-1-4-7%288%2812%2913%299-5%2811%293-6%289%2914-4%2Fh1%2C6-7%2C10H%2C2-3H2%2C%28H%2C12%2C13%29%2Ft6-%2C7-%2Fm1%2Fs1, 44.252498626709, 0.0, 2.0, 2.09236216545105, , 3.0, 2.0, 15.0, 0.0, 3.0, 0.0, -1.44649994373322, 2.0, 1.67999994754791, 23.0, -1.51900005340576
-InChI%3D1S%2FC16H14N2O%2Fc1-11-7-3-6-10-15%2811%2918-12%282%2917-14-9-5-4-8-13%2814%2916%2818%2919%2Fh3-10H%2C1-2H3, 24.6993999481201, 0.0, 0.0, 0.00361201004125178, , 16.0, 1.0, 21.0, 12.0, 0.0, 12.0, 0.0601000003516674, 1.0, 2.89000010490417, 35.0, 4.57800006866455
-InChI%3D1S%2FC17H17Cl2N%2Fc1-20-17-9-7-12%2813-4-2-3-5-14%2813%2917%2911-6-8-15%2818%2916%2819%2910-11%2Fh2-6%2C8%2C10%2C12%2C17%2C20H%2C7%2C9H2%2C1H3%2Ft12-%2C17-%2Fm0%2Fs1, 34.7689018249512, 1.0, 0.0, 0.915466248989105, , 6.0, 1.0, 22.0, 12.0, 2.0, 12.0, 0.956799983978271, 2.0, 3.0, 37.0, 5.87400007247925
-InChI%3D1S%2FC19H22F2N4O3%2Fc1-8-5-24%286-9%282%2923-8%2917-13%2820%2915%2822%2912-16%2814%2817%2921%2925%2810-3-4-10%297-11%2818%2812%2926%2919%2827%2928%2Fh7-10%2C23H%2C3-6%2C22H2%2C1-2H3%2C%28H%2C27%2C28%29%2Ft8-%2C9%2B, 73.2008972167969, 0.0, 0.0, 2.02379083633423, , 11.0, 3.0, 31.0, 6.0, 2.0, 6.0, -1.42260003089905, 3.0, 2.55999994277954, 52.0, 0.462000012397766
-InChI%3D1S%2FC35H62N4O4.2BrH%2Fc1-24%2840%2942-32-21-26-9-10-27-28%2835%2826%2C4%2923-31%2832%2937-15-19-39%287%2C8%2920-16-37%2911-12-34%283%2929%2827%2922-30%2833%2834%2943-25%282%2941%2936-13-17-38%285%2C6%2918-14-36%3B%3B%2Fh26-33H%2C9-23H2%2C1-8H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Ft26%3F%2C27-%2C28%3F%2C29%3F%2C30%3F%2C31%2B%2C32%3F%2C33%2B%2C34%3F%2C35%2B%3B%3B%2Fm1..%2Fs1, , 1.0, 2.0, , , 3.0, 0.0, 48.0, 0.0, 4.0, 0.0, , 6.0, 4.21000003814697, 107.0, 5.8439998626709
-InChI%3D1S%2FC14H17N3O%2Fc1-16-9-3-5-13-11%287-9%2910-6-8%2814%2815%2918%292-4-12%2810%2917-13%2Fh2%2C4%2C6%2C9%2C16-17H%2C3%2C5%2C7H2%2C1H3%2C%28H2%2C15%2C18%29, 33.0998001098633, 0.0, 0.0, 0.176484003663063, , 10.0, 4.0, 20.0, 10.0, 2.0, 6.0, -0.420100003480911, 2.0, 2.55999994277954, 34.0, 2.2720000743866
-InChI%3D1S%2FC8H11NO3%2Fc1-5-8%2812%297%284-11%296%283-10%292-9-5%2Fh2%2C10-12H%2C3-4H2%2C1H3, 22.850700378418, 0.0, 0.0, 0.843091249465942, , 7.0, 3.0, 12.0, 6.0, 2.0, 6.0, -0.918200016021729, 2.0, 1.89999997615814, 23.0, -0.676999986171722
-InChI%3D1S%2FC9H10N4O2S2%2Fc1-6-11-12-9%2816-6%2913-17%2814%2C15%298-4-2-7%2810%293-5-8%2Fh2-5H%2C10H2%2C1H3%2C%28H%2C12%2C13%29, 29.0559005737305, 0.0, 0.0, 1.09098029136658, , 16.0, 3.0, 18.0, 11.0, 4.0, 11.0, -1.04449999332428, 3.0, 1.57000005245209, 27.0, 1.02999997138977
-InChI%3D1S%2FC21H32O2%2Fc1-13-11-14-12-15%2822%295-8-19%2814%2C2%2916-6-9-20%283%2917%2818%2813%2916%297-10-21%2820%2C4%2923%2Fh12-13%2C16-18%2C23H%2C5-11H2%2C1-4H3%2Ft13-%2C16-%2C17-%2C18%3F%2C19%3F%2C20%3F%2C21-%2Fm0%2Fs1, 92.8587036132812, 0.0, 0.0, 2.01214218139648, , 4.0, 1.0, 26.0, 0.0, 0.0, 0.0, 1.41849994659424, 0.0, 3.54999995231628, 55.0, 4.55999994277954
-InChI%3D1S%2FC13H18N4O3%2Fc1-9%2818%296-4-5-7-17-12%2819%2910-11%2814-8-15%2810%292%2916%283%2913%2817%2920%2Fh8H%2C4-7H2%2C1-3H3, 55.0304985046387, 0.0, 6.0, 1.73422563076019, , 6.0, 1.0, 21.0, 5.0, 7.0, 0.0, -1.31690001487732, 5.0, 2.11999988555908, 38.0, -0.104000002145767
-InChI%3D1S%2FC16H25NO4%2Fc1-12%282%2917-10-14%2818%2911-21-15-7-4-13%285-8-15%296-9-16%2819%2920-3%2Fh4-5%2C7-8%2C12%2C14%2C17-18H%2C6%2C9-11H2%2C1-3H3, 56.9043006896973, 0.0, 3.0, 0.812521934509277, , 7.0, 2.0, 21.0, 6.0, 9.0, 6.0, -0.901400029659271, 10.0, 2.67000007629395, 46.0, 2.2960000038147
-InChI%3D1S%2FC20H20N6O9S%2Fc1-25-19%2822-23-24-25%2936-8-10-7-35-18-20%2834-2%2C17%2833%2926%2818%2913%2810%2916%2831%2932%2921-14%2828%2912%2815%2829%2930%299-3-5-11%2827%296-4-9%2Fh3-6%2C12%2C18%2C27H%2C7-8H2%2C1-2H3%2C%28H%2C21%2C28%29%28H%2C29%2C30%29%28H%2C31%2C32%29%2Ft12%3F%2C18-%2C20%3F%2Fm1%2Fs1, 85.1945037841797, 1.0, 3.0, 1.69000005722046, , 8.0, 4.0, 39.0, 11.0, 7.0, 11.0, -1.29999995231628, 9.0, 1.89999997615814, 56.0, -1.15600001811981
-InChI%3D1S%2FC10H16N2O8%2Fc13-7%2814%293-11%284-8%2815%2916%291-2-12%285-9%2817%2918%296-10%2819%2920%2Fh1-6H2%2C%28H%2C13%2C14%29%28H%2C15%2C16%29%28H%2C17%2C18%29%28H%2C19%2C20%29, 62.3456001281738, 1.0, 2.0, 2.94740223884583, , 3.0, 4.0, 19.0, 0.0, 20.0, 0.0, -1.71679997444153, 11.0, 1.46000003814697, 36.0, -2.55599999427795
-InChI%3D1S%2FC30H60N3O3.3HI%2Fc1-10-31%2811-2%2C12-3%2922-25-34-28-20-19-21-29%2835-26-23-32%2813-4%2C14-5%2915-6%2930%2828%2936-27-24-33%2816-7%2C17-8%2918-9%3B%3B%3B%2Fh19-21H%2C10-18%2C22-27H2%2C1-9H3%3B3%2A1H%2Fq%2B3%3B%3B%3B%2Fp-3, , 2.0, 2.0, , , 9.0, 0.0, 36.0, 6.0, 10.0, 6.0, , 21.0, 3.76999998092651, 99.0, 7.40700006484985
-InChI%3D1S%2FC4H8O2%2Fc1-3-6-4%282%295%2Fh3H2%2C1-2H3, 21.706600189209, 0.0, 2.0, 0.0737122520804405, , 3.0, 0.0, 5.0, 0.0, 6.0, 0.0, 0.271499991416931, 2.0, 1.67999994754791, 14.0, 0.663999974727631
-InChI%3D1S%2FC12H6Cl2N2O6%2Fc13-5-1-7%2811%2817%299%283-5%2915%2819%2920%298-2-6%2814%294-10%2812%288%2918%2916%2821%2922%2Fh1-4%2C17-18H, 22.1319999694824, 0.0, 0.0, 0.22543503344059, , 20.0, 2.0, 23.0, 12.0, 2.0, 12.0, 0.474799990653992, 3.0, 1.67999994754791, 28.0, 4.51599979400635
-InChI%3D1S%2FC19H28ClN5O%2Fc1-3-18-21-25%2819%2826%2924%2818%294-2%2910-6-9-22-11-13-23%2814-12-22%2917-8-5-7-16%2820%2915-17%2Fh5%2C7-8%2C15H%2C3-4%2C6%2C9-14H2%2C1-2H3, 77.8172988891602, 0.0, 3.0, 0.0613057613372803, , 7.0, 1.0, 28.0, 6.0, 3.0, 6.0, -0.247600004076958, 7.0, 2.77999997138977, 56.0, 3.47000002861023
-InChI%3D1S%2FC18H19N%2Fc1-19-12-18-11-10-13%2814-6-2-4-8-16%2814%2918%2915-7-3-5-9-17%2815%2918%2Fh2-9%2C13%2C19H%2C10-12H2%2C1H3, 29.4263000488281, 1.0, 0.0, 0.239316642284393, , 6.0, 1.0, 22.0, 12.0, 3.0, 12.0, -0.489199995994568, 2.0, 3.32999992370605, 38.0, 7.01599979400635
-InChI%3D1S%2FC36H47N5O4.H2O%2Fc1-36%282%2C3%2939-35%2845%2931-24-40%2822-26-12-9-15-37-21-26%2916-17-41%2831%2923-29%2842%2919-28%2818-25-10-5-4-6-11-25%2934%2844%2938-33-30-14-8-7-13-27%2830%2920-32%2833%2943%3B%2Fh4-15%2C21%2C28-29%2C31-33%2C42-43H%2C16-20%2C22-24H2%2C1-3H3%2C%28H%2C38%2C44%29%28H%2C39%2C45%29%3B1H2%2Ft28-%2C29%2B%2C31%2B%2C32%3F%2C33%2B%3B%2Fm1.%2Fs1, 102.055999755859, , 5.0, 0.0117288902401924, , 6.0, 5.0, 49.0, 18.0, 9.0, 18.0, 0.108300000429153, 12.0, 4.32000017166138, 95.0, 
-InChI%3D1S%2FC13H11NO5%2Fc1-2-14-5-8%2813%2816%2917%2912%2815%297-3-10-11%284-9%287%2914%2919-6-18-10%2Fh3-5H%2C2%2C6H2%2C1H3%2C%28H%2C16%2C17%29, 41.2597007751465, 0.0, 2.0, 0.328902244567871, , 11.0, 1.0, 21.0, 6.0, 2.0, 6.0, -0.573499977588654, 2.0, 2.23000001907349, 32.0, 0.569999992847443
-InChI%3D1S%2FC20H20N6O7S4%2Fc1-7-10%283-11%2827%2928%2937-20%2822-7%2936-5-8-4-34-17-13%2816%2830%2926%2817%2914%288%2918%2831%2932%2924-15%2829%2912%2825-33-2%299-6-35-19%2821%2923-9%2Fh6%2C13%2C17H%2C3-5H2%2C1-2H3%2C%28H2%2C21%2C23%29%28H%2C24%2C29%29%28H%2C27%2C28%29%28H%2C31%2C32%29%2Fb25-12%2B%2Ft13%3F%2C17-%2Fm1%2Fs1, 126.816703796387, 1.0, 2.0, 1.44793093204498, , 8.0, 5.0, 40.0, 5.0, 7.0, 5.0, 1.20329999923706, 10.0, 1.78999996185303, 59.0, 0.757000029087067
-InChI%3D1S%2FC31H33N3O6S%2Fc1-20-8-4-7-11-29%2820%2941%2837%2C38%2933-30%2835%2922-13-12-21%2828%2817-22%2939-3%2916-23-19-34%282%2927-15-14-24%2818-26%2823%2927%2932-31%2836%2940-25-9-5-6-10-25%2Fh4%2C7-8%2C11-15%2C17-19%2C25H%2C5-6%2C9-10%2C16H2%2C1-3H3%2C%28H%2C32%2C36%29%28H%2C33%2C35%29, 67.803596496582, 1.0, 0.0, 0.52461051940918, , 19.0, 2.0, 45.0, 22.0, 6.0, 18.0, -0.724300026893616, 9.0, 3.76999998092651, 74.0, 6.99900007247925
-InChI%3D1S%2FC20H21FN2O%2Fc1-23%282%2911-3-10-20%2817-5-7-18%2821%298-6-17%2919-9-4-15%2813-22%2912-16%2819%2914-24-20%2Fh4-9%2C12H%2C3%2C10-11%2C14H2%2C1-2H3, 42.0723991394043, 0.0, 3.0, 0.080655999481678, , 8.0, 0.0, 26.0, 12.0, 6.0, 12.0, 0.284000009298325, 5.0, 3.22000002861023, 45.0, 3.95600008964539
-InChI%3D1S%2FC12H11ClN2O5S%2Fc13-9-5-10%2815-6-7-2-1-3-20-7%298%2812%2816%2917%294-11%289%2921%2814%2C18%2919%2Fh1-5%2C15H%2C6H2%2C%28H%2C16%2C17%29%28H2%2C14%2C18%2C19%29, 33.6077995300293, 0.0, 0.0, 0.989826023578644, , 14.0, 3.0, 22.0, 11.0, 3.0, 11.0, -0.994899988174438, 5.0, 1.78999996185303, 32.0, 0.88400000333786
-InChI%3D1S%2FC21H25ClO5%2Fc1-19-5-3-11%2824%297-14%2819%2915%2822%298-12-13-4-6-21%2827%2C17%2826%2910-23%2920%2813%2C2%299-16%2825%2918%2812%2919%2Fh3%2C5%2C7-8%2C12-13%2C16%2C18%2C23%2C25%2C27H%2C4%2C6%2C9-10H2%2C1-2H3%2Ft12%3F%2C13-%2C16-%2C18%2B%2C19-%2C20-%2C21-%2Fm0%2Fs1, 103.683296203613, 0.0, 2.0, 0.00454276008531451, , 8.0, 3.0, 30.0, 0.0, 4.0, 0.0, -0.0674000009894371, 2.0, 3.10999989509583, 52.0, 1.05799996852875
-InChI%3D1S%2FC10H14O4%2Fc1-13-9-4-2-3-5-10%289%2914-7-8%2812%296-11%2Fh2-5%2C8%2C11-12H%2C6-7H2%2C1H3, 26.8864002227783, 0.0, 3.0, 1.33102369308472, , 8.0, 2.0, 14.0, 6.0, 6.0, 6.0, -1.15369999408722, 5.0, 2.11999988555908, 28.0, 0.52700001001358
-InChI%3D1S%2FC19H16O4%2Fc1-12%2820%2911-15%2813-7-3-2-4-8-13%2917-18%2821%2914-9-5-6-10-16%2814%2923-19%2817%2922%2Fh2-10%2C15%2C21H%2C11H2%2C1H3, 34.7682991027832, 0.0, 4.0, 0.999800026416779, , 9.0, 1.0, 25.0, 12.0, 5.0, 12.0, -0.999899983406067, 4.0, 3.10999989509583, 41.0, 4.86899995803833
-InChI%3D1S%2FC12H8O4%2Fc1-14-12-10-8%284-5-15-10%296-7-2-3-9%2813%2916-11%287%2912%2Fh2-6H%2C1H3, 24.6411991119385, 0.0, 0.0, 0.0399200394749641, , 11.0, 0.0, 18.0, 10.0, 2.0, 6.0, -0.199799999594688, 1.0, 2.33999991416931, 26.0, 1.43499994277954
-InChI%3D1S%2FC17H21NO4%2Fc1-11%286-12-2-4-14%2819%295-3-12%2918-10-17%2822%2913-7-15%2820%299-16%2821%298-13%2Fh2-5%2C7-9%2C11%2C17-22H%2C6%2C10H2%2C1H3, 35.8305015563965, 0.0, 3.0, 5.00461626052856, , 8.0, 5.0, 23.0, 12.0, 7.0, 12.0, -2.23709988594055, 6.0, 2.77999997138977, 43.0, 1.63100004196167
-InChI%3D1S%2FC9H11Cl2N3O4S2%2Fc1-14-9%284-10%2913-6-2-5%2811%297%2819%2812%2C15%2916%293-8%286%2920%2814%2C17%2918%2Fh2-3%2C9%2C13H%2C4H2%2C1H3%2C%28H2%2C12%2C15%2C16%29, 50.4007987976074, 0.0, 0.0, 0.312145680189133, , 15.0, 2.0, 21.0, 6.0, 3.0, 6.0, -0.558700025081635, 2.0, 1.24000000953674, 31.0, -0.222000002861023
-InChI%3D1S%2FC16H13ClN2O%2Fc1-19-14-8-7-12%2817%299-13%2814%2916%2818-10-15%2819%2920%2911-5-3-2-4-6-11%2Fh2-9H%2C10H2%2C1H3, 29.9188995361328, 0.0, 0.0, 0.00913935992866755, , 17.0, 0.0, 22.0, 12.0, 0.0, 12.0, -0.095600001513958, 1.0, 2.77999997138977, 33.0, 3.85199999809265
-InChI%3D1S%2FC9H11NO2%2Fc1-2-12-8-6-4-3-5-7%288%299%2810%2911%2Fh3-6H%2C2H2%2C1H3%2C%28H2%2C10%2C11%29, 20.0860004425049, 0.0, 2.0, 0.013689000159502, , 10.0, 2.0, 12.0, 6.0, 3.0, 6.0, 0.116999998688698, 3.0, 2.11999988555908, 23.0, 2.62899994850159
-InChI%3D1S%2FC37H48I6N6O18%2Fc1-48%2832-28%2840%2922%2834%2864%2944-12%284-50%2916%2858%298-54%2926%2838%2923%2829%2832%2941%2935%2865%2945-13%285-51%2917%2859%299-55%2920%2862%293-21%2863%2949%282%2933-30%2842%2924%2836%2866%2946-14%286-52%2918%2860%2910-56%2927%2839%2925%2831%2833%2943%2937%2867%2947-15%287-53%2919%2861%2911-57%2Fh12-19%2C50-61H%2C3-11H2%2C1-2H3%2C%28H%2C44%2C64%29%28H%2C45%2C65%29%28H%2C46%2C66%29%28H%2C47%2C67%29, 243.690795898438, 3.0, 4.0, 0.777218580245972, , 15.0, 16.0, 68.0, 12.0, 10.0, 12.0, 0.881600022315979, 26.0, 2.23000001907349, 115.0, -2.13499999046326
-InChI%3D1S%2FC20H24O2%2Fc1-12-10-14-15-4-5-18%2822%2920%2815%2C3%299-7-16%2814%2919%282%298-6-13%2821%2911-17%2812%2919%2Fh6%2C8%2C11%2C14-16H%2C1%2C4-5%2C7%2C9-10H2%2C2-3H3%2Ft14%3F%2C15-%2C16-%2C19%3F%2C20%3F%2Fm0%2Fs1, 88.1526031494141, 0.0, 0.0, 2.59274411201477, , 8.0, 0.0, 25.0, 0.0, 0.0, 0.0, 1.61020004749298, 0.0, 3.44000005722046, 46.0, 3.81900000572205
-InChI%3D1S%2FC20H32O5%2Fc1-2-3-6-9-15%2821%2912-13-17-16%2818%2822%2914-19%2817%2923%2910-7-4-5-8-11-20%2824%2925%2Fh4%2C7%2C12-13%2C15-17%2C19%2C21%2C23H%2C2-3%2C5-6%2C8-11%2C14H2%2C1H3%2C%28H%2C24%2C25%29%2Fb7-4-%2C13-12%2B%2Ft15-%2C16%2B%2C17%3F%2C19%3F%2Fm0%2Fs1, 90.424201965332, 1.0, 8.0, 4.16690587997437, , 3.0, 3.0, 25.0, 0.0, 9.0, 0.0, -2.04130005836487, 12.0, 3.10999989509583, 57.0, 2.78999996185303
-InChI%3D1S%2FC17H24O3%2Fc1-12-9-14%2811-17%282%2C3%2910-12%2920-16%2819%2915%2818%2913-7-5-4-6-8-13%2Fh4-8%2C12%2C14-15%2C18H%2C9-11H2%2C1-3H3, 51.8087997436523, 1.0, 2.0, 0.860998392105103, , 6.0, 1.0, 21.0, 6.0, 5.0, 6.0, 0.927900016307831, 4.0, 3.0, 44.0, 5.66499996185303
-InChI%3D1S%2FC11H12N4O3S%2Fc1-18-11-7-6-10%2813-14-11%2915-19%2816%2C17%299-4-2-8%2812%293-5-9%2Fh2-7H%2C12H2%2C1H3%2C%28H%2C13%2C15%29, 22.679500579834, 0.0, 0.0, 3.02133917808533, , 18.0, 2.0, 20.0, 12.0, 4.0, 12.0, -1.73819994926453, 4.0, 1.78999996185303, 31.0, 1.26600003242493
-InChI%3D1S%2FC5H9NO3S%2Fc1-3%287%296-4%282-10%295%288%299%2Fh4%2C10H%2C2H2%2C1H3%2C%28H%2C6%2C7%29%28H%2C8%2C9%29%2Ft4-%2Fm0%2Fs1, 37.8466987609863, 0.0, 3.0, 0.00291600008495152, , 3.0, 2.0, 9.0, 0.0, 10.0, 0.0, 0.0540000014007092, 3.0, 1.46000003814697, 19.0, 0.0469999983906746
-InChI%3D1S%2FC43H48N2O6S2.Na%2Fc1-42%282%2938%2844%2828-14-16-30-52%2846%2C47%2948%2936-26-24-32-18-10-12-20-34%2832%2940%2836%2942%2922-8-6-5-7-9-23-39-43%283%2C4%2941-35-21-13-11-19-33%2835%2925-27-37%2841%2945%2839%2929-15-17-31-53%2849%2C50%2951%3B%2Fh5-13%2C18-27H%2C14-17%2C28-31H2%2C1-4H3%2C%28H-%2C46%2C47%2C48%2C49%2C50%2C51%29%3B%2Fq%3B%2B1%2Fp-1, , 2.0, 7.0, , , 31.0, 0.0, 58.0, 22.0, 8.0, 20.0, , 14.0, 4.98000001907349, 101.0, 10.539999961853
-InChI%3D1S%2FC23H24O4%2Fc1-16%2824%2926-21-12-8-19%289-13-21%2923%2818-6-4-3-5-7-18%2920-10-14-22%2815-11-20%2927-17%282%2925%2Fh8-15H%2C3-7H2%2C1-2H3, 49.7761993408203, 1.0, 2.0, 0.680625021457672, , 20.0, 0.0, 29.0, 12.0, 4.0, 12.0, -0.824999988079071, 6.0, 3.54999995231628, 51.0, 7.37099981307983
-InChI%3D1S%2FC16H21NO3.CH3Br%2Fc1-17-12-7-8-13%2817%2910-14%289-12%2920-16%2819%2915%2818%2911-5-3-2-4-6-11%3B1-2%2Fh2-6%2C12-15%2C18H%2C7-10H2%2C1H3%3B1H3%2Ft12-%2C13%2B%2C14%3F%2C15%3F%3B, 56.9096984863281, 0.0, 2.0, 0.81920599937439, , 6.0, 1.0, 23.0, 6.0, 5.0, 6.0, -0.905099987983704, 4.0, 2.77999997138977, 46.0, 4.56899976730347
-InChI%3D1S%2FC12H20N4O7%2Fc1-4%2818%2915-8-5%2816-12%2813%2914%292-7%2811%2821%2922%2923-10%288%299%2820%296%2819%293-17%2Fh2%2C5-6%2C8-10%2C17%2C19-20H%2C3H2%2C1H3%2C%28H%2C15%2C18%29%28H%2C21%2C22%29%28H4%2C13%2C14%2C16%29%2Ft5-%2C6%2B%2C8%2B%2C9%2B%2C10%3F%2Fm0%2Fs1, 72.8872985839844, 2.0, 3.0, 7.00925636291504, , 6.0, 8.0, 23.0, 0.0, 6.0, 0.0, -2.64750003814697, 7.0, 1.57000005245209, 43.0, -2.05800008773804
-InChI%3D1S%2FC19H35NO2%2Fc1-3-20%284-2%2915-16-22-18%2821%2919%2813-9-6-10-14-19%2917-11-7-5-8-12-17%2Fh17H%2C3-16H2%2C1-2H3, 80.1223983764648, 1.0, 2.0, 1.24813580513, , 3.0, 0.0, 23.0, 0.0, 10.0, 0.0, -1.1172000169754, 8.0, 3.22000002861023, 57.0, 5.4980001449585
-InChI%3D1S%2FC15H14ClN3O4S%2Fc16-8-6-24-14-10%2813%2821%2919%2814%2911%288%2915%2822%2923%2918-12%2820%299%2817%297-4-2-1-3-5-7%2Fh1-5%2C9-10%2C14H%2C6%2C17H2%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft9-%2C10%3F%2C14-%2Fm1%2Fs1, 64.0505981445312, 0.0, 2.0, 0.803174436092377, , 8.0, 3.0, 26.0, 6.0, 5.0, 6.0, -0.896200001239777, 4.0, 2.11999988555908, 38.0, -0.609000027179718
-InChI%3D1S%2FC38H69NO13%2Fc1-15-26-38%2810%2C45%2931%2842%2921%284%2928%2840%2919%282%2917-37%289%2C47-14%2933%2852-35-29%2841%2925%2839%2811%2912%2916-20%283%2948-35%2922%285%2930%2823%286%2934%2844%2950-26%2951-27-18-36%288%2C46-13%2932%2843%2924%287%2949-27%2Fh19-27%2C29-33%2C35%2C41-43%2C45H%2C15-18H2%2C1-14H3%2Ft19-%2C20-%2C21%2B%2C22%3F%2C23-%2C24%2B%2C25%3F%2C26-%2C27%2B%2C29-%2C30%2B%2C31-%2C32%2B%2C33-%2C35%3F%2C36-%2C37-%2C38-%2Fm1%2Fs1, 186.231994628906, 1.0, 2.0, 4.21727275848389, , 3.0, 4.0, 54.0, 0.0, 2.0, 0.0, -2.05360007286072, 8.0, 4.09999990463257, 121.0, 1.6599999666214
-InChI%3D1S%2FC11H16N2O2%2Fc1-3-10-8%286-15-11%2810%2914%294-9-5-12-7-13%289%292%2Fh5%2C7-8%2C10H%2C3-4%2C6H2%2C1-2H3%2Ft8-%2C10%3F%2Fm0%2Fs1, 39.6986999511719, 0.0, 2.0, 0.347038805484772, , 5.0, 0.0, 16.0, 5.0, 2.0, 5.0, -0.589100003242493, 3.0, 2.23000001907349, 31.0, 1.307000041008
-InChI%3D1S%2FC13H17N%2Fc1-4-10-14%283%2912%282%2911-13-8-6-5-7-9-13%2Fh1%2C5-9%2C12H%2C10-11H2%2C2-3H3, 35.2331008911133, 0.0, 3.0, 0.912598073482513, , 6.0, 0.0, 14.0, 6.0, 8.0, 6.0, 0.955299973487854, 4.0, 2.77999997138977, 31.0, 4.47900009155273
-InChI%3D1S%2FC11H16N4O4%2Fc16-3-8-6%2817%291-9%2819-8%2915-5-14-10-7%2818%292-12-4-13-11%2810%2915%2Fh4-9%2C16-18H%2C1-3H2%2C%28H%2C12%2C13%29%2Ft6-%2C7%2B%2C8%3F%2C9%2B%2Fm0%2Fs1, 47.782299041748, 0.0, 0.0, 6.6321702003479, , 3.0, 5.0, 21.0, 5.0, 2.0, 0.0, -2.57529997825623, 2.0, 1.78999996185303, 35.0, -1.48099994659424
-InChI%3D1S%2FC6H13NO2%2Fc7-5-3-1-2-4-6%288%299%2Fh1-5%2C7H2%2C%28H%2C8%2C9%29, 29.4375991821289, 0.0, 6.0, 3.26633334159851, , 3.0, 2.0, 8.0, 0.0, 9.0, 0.0, -1.80729997158051, 5.0, 1.78999996185303, 22.0, 0.0480000004172325
-InChI%3D1S%2FC32H32O13S%2Fc1-37-19-6-13%287-20%2838-2%2925%2819%2933%2923-14-8-17-18%2842-12-41-17%299-15%2814%2928%2816-10-39-30%2836%2924%2816%2923%2944-32-27%2835%2926%2834%2929-21%2843-32%2911-40-31%2845-29%2922-4-3-5-46-22%2Fh3-9%2C16%2C21%2C23-24%2C26-29%2C31-35H%2C10-12H2%2C1-2H3%2Ft16%3F%2C21%3F%2C23-%2C24%2B%2C26-%2C27-%2C28%3F%2C29-%2C31%3F%2C32%3F%2Fm1%2Fs1, 93.2767028808594, 0.0, 0.0, 5.38611268997192, , 9.0, 3.0, 53.0, 17.0, 2.0, 17.0, -2.32080006599426, 6.0, 3.44000005722046, 78.0, 1.37399995326996
-InChI%3D1S%2FC56H78N2O16.2ClH%2Fc1-57%2823-19-37-33-45%2865-7%2953%2869-11%2955%2871-13%2949%2837%2939%2857%2927-35-29-41%2861-3%2951%2867-9%2942%2830-35%2962-4%2921-15-25-73-47%2859%2917-18-48%2860%2974-26-16-22-58%282%2924-20-38-34-46%2866-8%2954%2870-12%2956%2872-14%2950%2838%2940%2858%2928-36-31-43%2863-5%2952%2868-10%2944%2832-36%2964-6%3B%3B%2Fh29-34%2C39-40H%2C15-28H2%2C1-14H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Ft39-%2C40%2B%2C57%3F%2C58%3F%3B%3B, , 2.0, 4.0, , , 9.0, 0.0, 79.0, 24.0, 14.0, 24.0, , 29.0, 5.42000007629395, 154.0, 5.23199987411499
-InChI%3D1S%2FC10H15N3O5%2Fc11-6%284-14%2910%2818%2913-12-3-5-1-2-7%2815%299%2817%298%285%2916%2Fh1-2%2C6%2C12%2C14-17H%2C3-4%2C11H2%2C%28H%2C13%2C18%29, 39.0041007995605, 1.0, 3.0, 10.4135293960571, , 9.0, 7.0, 18.0, 6.0, 9.0, 6.0, -3.22699999809265, 5.0, 1.67999994754791, 33.0, -0.0599999986588955
-InChI%3D1S%2FC29H24N4O8%2Fc34-25%2821-5-1-9-30-13-21%2938-17-29%2818-39-26%2835%2922-6-2-10-31-14-22%2C19-40-27%2836%2923-7-3-11-32-15-23%2920-41-28%2837%2924-8-4-12-33-16-24%2Fh1-16H%2C17-20H2, 46.636100769043, 2.0, 3.0, 0.473068833351135, , 9.0, 0.0, 44.0, 24.0, 17.0, 24.0, -0.687799990177155, 16.0, 3.32999992370605, 65.0, 3.40599989891052
-InChI%3D1S%2FC9H7N7O2S%2Fc1-15-4-14-7%2816%2817%2918%299%2815%2919-8-5-6%2811-2-10-5%2912-3-13-8%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C12%2C13%29, 19.2740001678467, 0.0, 0.0, 0.434940248727798, , 8.0, 3.0, 21.0, 15.0, 2.0, 6.0, 0.659500002861023, 3.0, 1.35000002384186, 25.0, 0.365000009536743
-InChI%3D1S%2FC17H22N2O%2Fc1-17%2820-14-13-19%282%293%2C15-9-5-4-6-10-15%2916-11-7-8-12-18-16%2Fh4-12H%2C13-14H2%2C1-3H3, 33.3703994750977, 0.0, 2.0, 0.0583222508430481, , 6.0, 0.0, 21.0, 12.0, 8.0, 12.0, 0.241500005125999, 6.0, 3.0, 42.0, 4.49900007247925
-InChI%3D1S%2FC19H29NO%2Fc21-19%2817-9-3-1-4-10-17%2C18-11-5-2-6-12-18%2913-16-20-14-7-8-15-20%2Fh1%2C3-4%2C9-10%2C18%2C21H%2C2%2C5-8%2C11-16H2, 51.0782012939453, 1.0, 3.0, 4.92884397506714, , 6.0, 1.0, 23.0, 6.0, 4.0, 6.0, -2.22009992599487, 5.0, 3.32999992370605, 50.0, 5.60200023651123
-InChI%3D1S%2FC11H15NO2%2Fc1-8%282%297-14-11%2813%299-3-5-10%2812%296-4-9%2Fh3-6%2C8H%2C7%2C12H2%2C1-2H3, 29.4937992095947, 0.0, 3.0, 0.0657922476530075, , 10.0, 1.0, 14.0, 6.0, 7.0, 6.0, -0.256500005722046, 4.0, 2.33999991416931, 29.0, 2.40199995040894
-InChI%3D1S%2FC18H18ClN3S%2Fc1-21-8-10-22%2811-9-21%2918-14-12-13%2819%296-7-16%2814%2923-17-5-3-2-4-15%2817%2920-18%2Fh2-7%2C12H%2C8-11H2%2C1H3, 49.5512008666992, 0.0, 0.0, 1.04080808162689, , 15.0, 0.0, 26.0, 12.0, 0.0, 12.0, 1.02020001411438, 1.0, 2.89000010490417, 41.0, 4.63899993896484
-InChI%3D1S%2FC18H22ClNO%2Fc1-18%2821-14-13-20%282%293%2C15-7-5-4-6-8-15%2916-9-11-17%2819%2912-10-16%2Fh4-12H%2C13-14H2%2C1-3H3, 38.9860000610352, 1.0, 2.0, 0.97180163860321, , 6.0, 0.0, 22.0, 12.0, 8.0, 12.0, 0.98580002784729, 6.0, 3.10999989509583, 43.0, 5.60599994659424
-InChI%3D1S%2FC35H45Cl2NO6%2Fc1-33-14-12-26%2839%2920-24%2833%298-11-27-28-13-15-35%2843%2C34%2828%2C2%2921-29%2840%2932%2827%2933%2930%2841%2922-44-31%2842%295-3-4-23-6-9-25%2810-7-23%2938%2818-16-36%2919-17-37%2Fh6-7%2C9-10%2C12%2C14%2C20%2C27-29%2C32%2C40%2C43H%2C3-5%2C8%2C11%2C13%2C15-19%2C21-22H2%2C1-2H3%2Ft27%3F%2C28-%2C29-%2C32%2B%2C33-%2C34%3F%2C35-%2Fm0%2Fs1, 146.226898193359, 2.0, 4.0, 0.754987180233002, , 7.0, 2.0, 48.0, 6.0, 9.0, 6.0, 0.868900001049042, 13.0, 4.32000017166138, 89.0, 5.7039999961853
-InChI%3D1S%2FC12H16F3N%2Fc1-3-16-9%282%297-10-5-4-6-11%288-10%2912%2813%2C14%2915%2Fh4-6%2C8-9%2C16H%2C3%2C7H2%2C1-2H3, 33.8871002197266, 0.0, 3.0, 1.19617974758148, , 6.0, 1.0, 16.0, 6.0, 6.0, 6.0, 1.09370005130768, 5.0, 2.33999991416931, 32.0, 4.87599992752075
-InChI%3D1S%2FC14H10N4O5%2Fc19-13-8-17%2814%2820%2916-13%2915-7-11-5-6-12%2823-11%299-1-3-10%284-2-9%2918%2821%2922%2Fh1-7H%2C8H2%2C%28H%2C16%2C19%2C20%29, 32.3368988037109, 0.0, 0.0, 1.64070475101471, , 22.0, 1.0, 25.0, 11.0, 2.0, 11.0, -1.28090000152588, 4.0, 2.00999999046326, 33.0, 3.05299997329712
-InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29, 12.7256002426147, 0.0, 0.0, 1.51363813877106, , 10.0, 2.0, 10.0, 6.0, 4.0, 6.0, -1.230299949646, 2.0, 1.67999994754791, 17.0, -0.570999979972839
-InChI%3D1S%2FC18H34N2O6S%2Fc1-5-6-10-7-11%2820%283%298-10%2917%2825%2919-12%289%282%2921%2916-14%2823%2913%2822%2915%2824%2918%2826-16%2927-4%2Fh9-16%2C18%2C21-24H%2C5-8H2%2C1-4H3%2C%28H%2C19%2C25%29%2Ft9-%2C10-%2C11%2B%2C12-%2C13%2B%2C14-%2C15-%2C16%3F%2C18-%2Fm1%2Fs1, 100.360702514648, 0.0, 3.0, 2.81098747253418, , 3.0, 5.0, 28.0, 0.0, 7.0, 0.0, -1.67659997940063, 7.0, 2.45000004768372, 61.0, 0.745000004768372
-InChI%3D1S%2FC17H26N2O4S%2Fc1-4-19-10-6-7-13%2819%2912-18-17%2820%2915-11-14%2824%2821%2C22%295-2%298-9-16%2815%2923-3%2Fh8-9%2C11%2C13H%2C4-7%2C10%2C12H2%2C1-3H3%2C%28H%2C18%2C20%29, 65.7714996337891, 0.0, 2.0, 0.445422768592834, , 13.0, 1.0, 25.0, 6.0, 5.0, 6.0, -0.667400002479553, 7.0, 2.55999994277954, 50.0, 2.11999988555908
-InChI%3D1S%2FC6H12O3%2Fc1-4-7-5%282%299-6%283%298-4%2Fh4-6H%2C1-3H3, 30.2247009277344, 0.0, 0.0, 0.916997730731964, , 0.0, 0.0, 9.0, 0.0, 0.0, 0.0, 0.957599997520447, 0.0, 1.78999996185303, 21.0, 1.22099995613098
-InChI%3D1S%2FC11H16N2O3%2Fc1-4-6-11%287%283%295-2%298%2814%2912-10%2816%2913-9%2811%2915%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 56.3633003234863, 0.0, 4.0, 0.255125999450684, , 8.0, 2.0, 16.0, 0.0, 4.0, 0.0, -0.505100011825562, 4.0, 2.11999988555908, 32.0, 2.70300006866455
-InChI%3D1S%2FC10H16N2O3%2Fc1-4-6%283%2910%285-2%297%2813%2911-9%2815%2912-8%2810%2914%2Fh6H%2C4-5H2%2C1-3H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29, 51.8120002746582, 0.0, 4.0, 1.50528359413147, , 8.0, 2.0, 15.0, 0.0, 4.0, 0.0, -1.22689998149872, 3.0, 2.00999999046326, 31.0, 2.5
-InChI%3D1S%2FC23H28N4O11S%2Fc1-11%2838-21%2831%2923%282%2C3%2933-4%2937-20%2830%2916-12%289-36-22%2824%2932%2910-39-19-15%2818%2829%2927%2816%2919%2925-17%2828%2914%2826-34-5%2913-7-6-8-35-13%2Fh6-8%2C11%2C15%2C19H%2C9-10H2%2C1-5H3%2C%28H2%2C24%2C32%29%28H%2C25%2C28%29%2Fb26-14-%2Ft11%3F%2C15%3F%2C19-%2Fm1%2Fs1, 115.551002502441, 2.0, 3.0, 0.474721014499664, , 11.0, 3.0, 41.0, 5.0, 13.0, 5.0, 0.689000010490417, 14.0, 2.23000001907349, 67.0, 1.49500000476837
-InChI%3D1S%2FC22H30N4O2S2%2Fc1-23%282%2930%2827%2C28%2918-9-10-22-20%2817-18%2926%2819-7-4-5-8-21%2819%2929-22%2912-6-11-25-15-13-24%283%2914-16-25%2Fh4-5%2C7-10%2C17H%2C6%2C11-16H2%2C1-3H3, 75.9039993286133, 0.0, 3.0, 0.0474368408322334, , 17.0, 0.0, 33.0, 12.0, 6.0, 12.0, -0.217800006270409, 6.0, 3.0, 60.0, 2.71700000762939
-InChI%3D1S%2FC12H13I3N2O2%2Fc1-17%282%296-16-12-9%2814%295-8%2813%297%2811%2812%2915%293-4-10%2818%2919%2Fh5-6H%2C3-4H2%2C1-2H3%2C%28H%2C18%2C19%29, 79.9169006347656, 0.0, 3.0, 14.2642183303833, , 9.0, 1.0, 19.0, 6.0, 5.0, 6.0, 3.77679991722107, 5.0, 2.00999999046326, 32.0, 4.49700021743774
-InChI%3D1S%2FC11H9FN2O3%2Fc12-6-1-2-8-7%285-6%2911%283-4-17-8%299%2815%2913-10%2816%2914-11%2Fh1-2%2C5H%2C3-4H2%2C%28H2%2C13%2C14%2C15%2C16%29, 29.1723003387451, 0.0, 0.0, 0.277412891387939, , 7.0, 2.0, 19.0, 6.0, 0.0, 6.0, -0.526700019836426, 0.0, 2.00999999046326, 26.0, 0.976000010967255
-InChI%3D1S%2FC12H14N4O4S%2Fc1-19-11-7-10%2812%2820-2%2915-14-11%2916-21%2817%2C18%299-5-3-8%2813%294-6-9%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C16%29, 29.9953002929688, 0.0, 0.0, 3.20409989356995, , 19.0, 2.0, 22.0, 12.0, 4.0, 12.0, -1.78999996185303, 5.0, 1.78999996185303, 35.0, 0.822000026702881
-InChI%3D1S%2FC28H33ClN2%2Fc1-28%282%2C3%2925-13-9-22%2810-14-25%2921-30-17-19-31%2820-18-30%2927%2823-7-5-4-6-8-23%2924-11-15-26%2829%2916-12-24%2Fh4-16%2C27H%2C17-21H2%2C1-3H3, 57.4972991943359, 1.0, 0.0, 5.44989013671875, , 6.0, 0.0, 34.0, 18.0, 3.0, 18.0, 2.3345000743866, 6.0, 4.21000003814697, 64.0, 9.93599987030029
-InChI%3D1S%2FC19H19N3O5S%2Fc1-9-11%2812%2821-27-9%2910-7-5-4-6-8-10%2915%2823%2920-13-16%2824%2922-14%2818%2825%2926%2919%282%2C3%2928-17%2813%2922%2Fh4-8%2C13-14%2C17H%2C1-3H3%2C%28H%2C20%2C23%29%28H%2C25%2C26%29%2Ft13%3F%2C14-%2C17%2B%2Fm0%2Fs1, 61.8734016418457, 0.0, 0.0, 0.110157608985901, , 6.0, 3.0, 31.0, 11.0, 3.0, 6.0, 0.331900000572205, 4.0, 2.55999994277954, 47.0, 3.08299994468689
-InChI%3D1S%2FC7H7NO3%2Fc8-4-1-2-5%287%2810%2911%296%289%293-4%2Fh1-3%2C9H%2C8H2%2C%28H%2C10%2C11%29, 14.0059995651245, 0.0, 0.0, 2.10249996185303, , 11.0, 3.0, 11.0, 6.0, 2.0, 6.0, -1.45000004768372, 1.0, 1.78999996185303, 18.0, 0.46900001168251
-InChI%3D1S%2FC27H34O3%2Fc1-27-16-15-22-21-11-9-20%2828%2917-19%2821%298-10-23%2822%2924%2827%2912-13-25%2827%2930-26%2829%2914-7-18-5-3-2-4-6-18%2Fh2-6%2C17%2C21-25H%2C7-16H2%2C1H3%2Ft21%3F%2C22-%2C23%3F%2C24%2B%2C25%2B%2C27%3F%2Fm1%2Fs1, 89.3463973999023, 1.0, 3.0, 0.117511838674545, , 6.0, 0.0, 34.0, 6.0, 5.0, 6.0, 0.342799991369247, 5.0, 4.09999990463257, 64.0, 7.69199991226196
-InChI%3D1S%2FC15H25NO3%2Fc1-12%282%2916-10-14%2817%2911-19-15-6-4-13%285-7-15%298-9-18-3%2Fh4-7%2C12%2C14%2C16-17H%2C8-11H2%2C1-3H3, 51.9810981750488, 0.0, 3.0, 0.631071388721466, , 7.0, 2.0, 19.0, 6.0, 9.0, 6.0, -0.794399976730347, 9.0, 2.67000007629395, 44.0, 2.03399991989136
-InChI%3D1S%2FC16H14FN3O%2Fc1-10-4-2-3-5-14%2810%2920-15%289-17%2919-13-7-6-11%2818%298-12%2813%2916%2820%2921%2Fh2-8H%2C9%2C18H2%2C1H3, 29.2278995513916, 0.0, 0.0, 0.29116815328598, , 17.0, 2.0, 23.0, 12.0, 2.0, 12.0, -0.539600014686584, 2.0, 2.67000007629395, 37.0, 3.54200005531311
-InChI%3D1S%2FC13H15N3O4S%2Fc1-8-9%282%2915-20-13%288%2916%2810%283%2917%2921%2818%2C19%2912-6-4-11%2814%295-7-12%2Fh4-7H%2C14H2%2C1-3H3, 38.5833015441895, 0.0, 0.0, 0.761430740356445, , 13.0, 2.0, 22.0, 11.0, 7.0, 6.0, -0.872600018978119, 4.0, 2.00999999046326, 36.0, 1.48599994182587
-InChI%3D1S%2FC7H11NO3%2Fc1-4-7%282%295%289%298%283%296%2810%2911-7%2Fh4H2%2C1-3H3, 36.276798248291, 0.0, 2.0, 0.0350812897086143, , 6.0, 0.0, 11.0, 0.0, 2.0, 0.0, -0.187299996614456, 1.0, 1.78999996185303, 22.0, 0.349000006914139
-InChI%3D1S%2FC16H22ClNO4%2Fc1-16%282%2C22-13-9-7-12%2817%298-10-13%2915%2820%2921-11-5-6-14%2819%2918%283%294%2Fh7-10H%2C5-6%2C11H2%2C1-4H3, 58.3022994995117, 0.0, 4.0, 0.177577957510948, , 7.0, 0.0, 22.0, 6.0, 15.0, 6.0, 0.421400010585785, 9.0, 2.55999994277954, 44.0, 2.61700010299683
-InChI%3D1S%2FC19H31NO%2Fc1-20%282%2915-10-16-21-19%2813-8-3-4-9-14-19%2917-18-11-6-5-7-12-18%2Fh5-7%2C11-12H%2C3-4%2C8-10%2C13-17H2%2C1-2H3, 55.8540992736816, 1.0, 3.0, 0.648991346359253, , 6.0, 0.0, 22.0, 6.0, 7.0, 6.0, -0.805599987506866, 7.0, 3.32999992370605, 52.0, 6.30999994277954
-InChI%3D1S%2FC22H30N2O2S%2Fc1-3-21%2825%2924%2819-8-5-4-6-9-19%2922%2818-26-2%2912-15-23%2816-13-22%2914-11-20-10-7-17-27-20%2Fh4-10%2C17H%2C3%2C11-16%2C18H2%2C1-2H3, 65.7833023071289, 0.0, 3.0, 1.20824062824249, , 9.0, 0.0, 29.0, 11.0, 5.0, 11.0, -1.09920001029968, 9.0, 3.32999992370605, 57.0, 4.80399990081787
-InChI%3D1S%2FC17H22NO.C11H8O3%2Fc1-18%282%2C15-16-9-5-3-6-10-16%2913-14-19-17-11-7-4-8-12-17%3B12-10-6-8-4-2-1-3-7%288%295-9%2810%2911%2813%2914%2Fh3-12H%2C13-15H2%2C1-2H3%3B1-6%2C12H%2C%28H%2C13%2C14%29%2Fq%2B1%3B%2Fp-1, 34.3684005737305, 1.0, 2.0, 5.72405624389648, , 14.0, 1.0, 35.0, 23.0, 7.0, 22.0, -2.39249992370605, 7.0, 3.99000000953674, 62.0, 8.7189998626709
-InChI%3D1S%2FC7H5I2NO3.C4H11NO2%2Fc8-4-1-10%283-6%2811%2912%292-5%289%297%284%2913%3B6-3-1-5-2-4-7%2Fh1-2H%2C3H2%2C%28H%2C11%2C12%29%3B5-7H%2C1-4H2, 91.2657012939453, , 2.0, 0.316293746232986, , 3.0, 4.0, 19.0, 0.0, 7.0, 0.0, 0.562399983406067, 6.0, 1.67999994754791, 40.0, 
-InChI%3D1S%2FC16H17N3O4S%2Fc1-8-7-24-15-11%2814%2821%2919%2815%2912%288%2916%2822%2923%2918-13%2820%2910%2817%299-5-3-2-4-6-9%2Fh2-6%2C10-11%2C15H%2C7%2C17H2%2C1H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft10-%2C11%3F%2C15-%2Fm1%2Fs1, 63.6164016723633, 0.0, 2.0, 0.669942259788513, , 8.0, 3.0, 26.0, 6.0, 5.0, 6.0, -0.818499982357025, 4.0, 2.33999991416931, 41.0, -1.00499999523163
-InChI%3D1S%2FC20H22N2%2Fc1-22-13-10-16%2811-14-22%2919-18-7-3-2-5-15%2818%298-9-17-6-4-12-21-20%2817%2919%2Fh2-7%2C12H%2C8-11%2C13-14H2%2C1H3, 44.5318984985352, 0.0, 0.0, 0.724711716175079, , 14.0, 0.0, 25.0, 12.0, 0.0, 12.0, 0.851300001144409, 0.0, 3.44000005722046, 44.0, 4.83900022506714
-InChI%3D1S%2FC19H24N2O3%2Fc1-13%287-8-14-5-3-2-4-6-14%2921-12-18%2823%2915-9-10-17%2822%2916%2811-15%2919%2820%2924%2Fh2-6%2C9-11%2C13%2C18%2C21-23H%2C7-8%2C12H2%2C1H3%2C%28H2%2C20%2C24%29, 42.089298248291, 1.0, 4.0, 2.842933177948, , 10.0, 5.0, 25.0, 12.0, 8.0, 12.0, -1.68610000610352, 8.0, 3.0, 48.0, 5.25299978256226
-InChI%3D1S%2FC17H17N3O6S2%2Fc1-9%2821%2926-6-10-7-28-16-13%2815%2823%2920%2816%2914%2810%2917%2824%2925%2919-12%2822%298-27-11-2-4-18-5-3-11%2Fh2-5%2C13%2C16H%2C6-8H2%2C1H3%2C%28H%2C19%2C22%29%28H%2C24%2C25%29%2Ft13%3F%2C16-%2Fm1%2Fs1, 79.3532028198242, 0.0, 2.0, 0.0548964887857437, , 8.0, 2.0, 30.0, 6.0, 5.0, 6.0, -0.234300002455711, 8.0, 2.11999988555908, 45.0, -0.0790000036358833
-InChI%3D1S%2FC13H19ClN2O2%2Fc1-3-16%284-2%297-8-18-13%2817%2911-6-5-10%2815%299-12%2811%2914%2Fh5-6%2C9H%2C3-4%2C7-8%2C15H2%2C1-2H3, 48.4328002929688, 0.0, 2.0, 0.416153997182846, , 10.0, 1.0, 18.0, 6.0, 10.0, 6.0, 0.645099997520447, 7.0, 2.33999991416931, 37.0, 2.11899995803833
-InChI%3D1S%2FC12H15N5O3S%2Fc1-7-8%282%2920-12%2815-7%2916-11%2814%2917-21%2818%2C19%2910-5-3-9%2813%294-6-10%2Fh3-6H%2C13H2%2C1-2H3%2C%28H3%2C14%2C15%2C16%2C17%29, 37.1474990844727, 0.0, 0.0, 0.845848083496094, , 14.0, 5.0, 22.0, 11.0, 7.0, 6.0, -0.919700026512146, 5.0, 1.78999996185303, 36.0, 2.66599988937378
-InChI%3D1S%2FC32H41NO2%2Fc1-31%282%2C3%2926-18-16-25%2817-19-26%2930%2834%2915-10-22-33-23-20-29%2821-24-33%2932%2835%2C27-11-6-4-7-12-27%2928-13-8-5-9-14-28%2Fh4-9%2C11-14%2C16-19%2C29-30%2C34-35H%2C10%2C15%2C20-24H2%2C1-3H3, 61.4407005310059, 1.0, 4.0, 1.23165607452393, , 6.0, 2.0, 38.0, 18.0, 5.0, 18.0, -1.10979998111725, 9.0, 4.65000009536743, 76.0, 10.8970003128052
-InChI%3D1S%2FC25H35NO5%2Fc1-6-26%2819%282%2917-20-9-12-22%2828-3%2913-10-20%2915-7-8-16-31-25%2827%2921-11-14-23%2829-4%2924%2818-21%2930-5%2Fh9-14%2C18-19H%2C6-8%2C15-17H2%2C1-5H3, 70.5372009277344, 2.0, 4.0, 0.136974006891251, , 11.0, 0.0, 32.0, 12.0, 13.0, 12.0, -0.370099991559982, 14.0, 3.54999995231628, 66.0, 5.10699987411499
-InChI%3D1S%2FC20H25N3O%2Fc1-4-23%285-2%2920%2824%2914-9-16-15-7-6-8-17-19%2815%2913%2811-21-17%2910-18%2816%2922%283%2912-14%2Fh6-9%2C11%2C14%2C18%2C21H%2C4-5%2C10%2C12H2%2C1-3H3%2Ft14-%2C18-%2Fm1%2Fs1, 61.7127990722656, 0.0, 2.0, 0.113703839480877, , 9.0, 1.0, 27.0, 10.0, 7.0, 6.0, 0.337199985980988, 4.0, 3.22000002861023, 48.0, 2.22099995613098
-InChI%3D1S%2FC10H16N2OS%2Fc1-4-5-12-9%2813%298%286-7%282%293%2911-10%2812%2914%2Fh4%2C7-8H%2C1%2C5-6H2%2C2-3H3%2C%28H%2C11%2C14%29, 59.2346000671387, 0.0, 3.0, 3.31167197227478, , 5.0, 0.0, 14.0, 0.0, 4.0, 0.0, 1.81980001926422, 4.0, 2.11999988555908, 30.0, 1.88199996948242
-InChI%3D1S%2FC13H19NO%2Fc1-4-14%285-2%2911%283%2913%2815%2912-9-7-6-8-10-12%2Fh6-11H%2C4-5H2%2C1-3H3, 37.4464988708496, 0.0, 3.0, 0.121800996363163, , 8.0, 0.0, 15.0, 6.0, 9.0, 6.0, 0.349000006914139, 5.0, 2.67000007629395, 34.0, 3.82800006866455
-InChI%3D1S%2FC10H14N2O4%2Fc1-10%2812-11%2C9%2815%2916%295-6-2-3-7%2813%298%2814%294-6%2Fh2-4%2C12-14H%2C5%2C11H2%2C1H3%2C%28H%2C15%2C16%29%2Ft10-%2Fm0%2Fs1, 33.7226982116699, 0.0, 3.0, 2.89170026779175, , 8.0, 5.0, 16.0, 6.0, 8.0, 6.0, -1.70050001144409, 4.0, 1.89999997615814, 30.0, -0.0590000003576279
-InChI%3D1S%2FC12H19N3O%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29, 39.6456985473633, 0.0, 0.0, 1.71479022502899, , 9.0, 3.0, 16.0, 6.0, 6.0, 6.0, -1.30949997901917, 6.0, 2.33999991416931, 35.0, 2.76900005340576
-InChI%3D1S%2FC17H21NO%2Fc1-18%282%2913-14-19-17%2815-9-5-3-6-10-15%2916-11-7-4-8-12-16%2Fh3-12%2C17H%2C13-14H2%2C1-2H3, 28.7327995300293, 1.0, 2.0, 0.00133224995806813, , 6.0, 0.0, 20.0, 12.0, 7.0, 12.0, 0.0364999994635582, 6.0, 3.10999989509583, 40.0, 5.72599983215332
-InChI%3D1S%2FC29H53NO5%2Fc1-5-7-9-11-12-13-14-15-16-18-24%2834-29%2833%2926%2830-22-31%2920-23%283%294%2921-27-25%2828%2832%2935-27%2919-17-10-8-6-2%2Fh22-27H%2C5-21H2%2C1-4H3%2C%28H%2C30%2C31%29%2Ft24-%2C25-%2C26%3F%2C27%3F%2Fm0%2Fs1, 114.795196533203, 2.0, 13.0, 14.9660663604736, , 3.0, 1.0, 35.0, 0.0, 24.0, 0.0, -3.8685998916626, 23.0, 3.99000000953674, 88.0, 10.4409999847412
-InChI%3D1S%2FC20H23N7O7%2Fc21-20-25-16-15%2818%2832%2926-20%2927%289-28%2912%288-23-16%297-22-11-3-1-10%282-4-11%2917%2831%2924-13%2819%2833%2934%295-6-14%2829%2930%2Fh1-4%2C9%2C12-13%2C22H%2C5-8H2%2C%28H%2C24%2C31%29%28H%2C29%2C30%29%28H%2C33%2C34%29%28H4%2C21%2C23%2C25%2C26%2C32%29, 84.397102355957, 3.0, 5.0, 14.5328683853149, , 10.0, 9.0, 36.0, 6.0, 12.0, 6.0, -3.81220006942749, 11.0, 2.11999988555908, 61.0, -1.05099999904633
-InChI%3D1S%2FC22H30N2%2Fc1-3-23%284-2%2915-10-16-24%2821-13-6-5-7-14-21%2922-17-19-11-8-9-12-20%2819%2918-22%2Fh5-9%2C11-14%2C22H%2C3-4%2C10%2C15-18H2%2C1-2H3, 51.24169921875, 1.0, 3.0, 0.293113946914673, , 7.0, 0.0, 26.0, 12.0, 9.0, 12.0, 0.541400015354156, 8.0, 3.66000008583069, 54.0, 7.01399993896484
-InChI%3D1S%2FC19H21NS%2Fc1-20%282%2913-7-11-17-16-9-4-3-8-15%2816%2914-21-19-12-6-5-10-18%2817%2919%2Fh3-6%2C8-12H%2C7%2C13-14H2%2C1-2H3, 43.519401550293, 1.0, 3.0, 0.665529668331146, , 14.0, 0.0, 23.0, 12.0, 6.0, 12.0, 0.81580001115799, 3.0, 3.32999992370605, 42.0, 5.85099983215332
-InChI%3D1S%2FC12H19NO3%2Fc1-9%282%2913-7-11%2815%298-16-12-5-3-10%2814%294-6-12%2Fh3-6%2C9%2C11%2C13-15H%2C7-8H2%2C1-2H3, 38.0658988952637, 0.0, 3.0, 2.16119408607483, , 8.0, 3.0, 16.0, 6.0, 9.0, 6.0, -1.47010004520416, 6.0, 2.33999991416931, 35.0, 1.21399998664856
-InChI%3D1S%2FC24H21I6N5O8%2Fc1-7%2837%2935%283%2920-17%2829%2910%2821%2839%2931-2%2913%2825%2911%2818%2820%2930%2923%2841%2933-6-8%2838%2934-19-15%2827%299%2822%2840%2932-4-5-36%2914%2826%2912%2816%2819%2928%2924%2842%2943%2Fh36H%2C4-6H2%2C1-3H3%2C%28H%2C31%2C39%29%28H%2C32%2C40%29%28H%2C33%2C41%29%28H%2C34%2C38%29%28H%2C42%2C43%29, 165.145401000977, 3.0, 2.0, 40.1284255981445, , 15.0, 6.0, 44.0, 12.0, 7.0, 12.0, 6.33470010757446, 11.0, 2.00999999046326, 64.0, 4.76200008392334
-InChI%3D1S%2FC15H14O3%2Fc1-11%2815%2816%2917%2912-6-5-9-14%2810-12%2918-13-7-3-2-4-8-13%2Fh2-11H%2C1H3%2C%28H%2C16%2C17%29, 18.1924991607666, 0.0, 3.0, 0.00982080958783627, , 13.0, 1.0, 19.0, 12.0, 5.0, 12.0, -0.0991000011563301, 4.0, 2.77999997138977, 32.0, 4.62799978256226
-InChI%3D1S%2FC19H27N5O3%2Fc1-4-6-17%2825%2923-7-5-8-24%2810-9-23%2919-21-14-12-16%2827-3%2915%2826-2%2911-13%2814%2918%2820%2922-19%2Fh11-12H%2C4-10H2%2C1-3H3%2C%28H2%2C20%2C21%2C22%29, 75.4775009155273, 0.0, 4.0, 1.81521725654602, , 12.0, 3.0, 29.0, 6.0, 5.0, 6.0, -1.34730005264282, 6.0, 2.67000007629395, 56.0, 1.52900004386902
-InChI%3D1S%2FC5H15N2O3PS%2Fc6-2-1-3-7-4-5-12-11%288%2C9%2910%2Fh7H%2C1-6H2%2C%28H2%2C8%2C9%2C10%29, 48.5896987915039, 0.0, 3.0, 1.56200003623962, , 4.0, 4.0, 11.0, 0.0, 12.0, 0.0, -1.24979996681213, 7.0, 1.24000000953674, 27.0, -1.86600005626678
-InChI%3D1S%2FC17H18N2O5S%2Fc18-25%2822%2C23%2915-11-12%2817%2820%2921%2910-14%2819-8-4-5-9-19%2916%2815%2924-13-6-2-1-3-7-13%2Fh1-3%2C6-7%2C10-11H%2C4-5%2C8-9H2%2C%28H%2C20%2C21%29%28H2%2C18%2C22%2C23%29, 38.1255989074707, 0.0, 0.0, 3.49690008163452, , 21.0, 2.0, 27.0, 12.0, 3.0, 12.0, -1.87000000476837, 5.0, 2.45000004768372, 43.0, 2.32100009918213
-InChI%3D1S%2FC24H33NO3%2Fc1-3-25%284-2%2914-16-28-24%2826%2921%2818-22-12-8-15-27-22%2917-20-11-7-10-19-9-5-6-13-23%2819%2920%2Fh5-7%2C9-11%2C13%2C21-22H%2C3-4%2C8%2C12%2C14-18H2%2C1-2H3, 66.9755020141602, 2.0, 3.0, 0.0985332131385803, , 10.0, 0.0, 30.0, 11.0, 13.0, 10.0, 0.313899993896484, 11.0, 3.66000008583069, 61.0, 7.12599992752075
-InChI%3D1S%2FC8H7ClN2O2S%2Fc1-5-10-7-3-2-6%289%294-8%287%2914%2812%2C13%2911-5%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%29, 28.380199432373, 0.0, 0.0, 0.0217857602983713, , 12.0, 1.0, 15.0, 6.0, 0.0, 6.0, -0.147599995136261, 0.0, 1.67999994754791, 21.0, 1.42700004577637
-InChI%3D1S%2FC14H12O3%2Fc1-7-4-12%2815%2917-14-9%283%2913-10%286-11%287%2914%295-8%282%2916-13%2Fh4-6H%2C1-3H3, 32.2299003601074, 0.0, 0.0, 1.00902020931244, , 12.0, 0.0, 19.0, 10.0, 0.0, 9.0, 1.00450003147125, 0.0, 2.67000007629395, 31.0, 2.99600005149841
-InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H, 15.7062997817993, 0.0, 0.0, 3.72100003005471e-05, , 9.0, 0.0, 12.0, 6.0, 0.0, 6.0, 0.00609999988228083, 0.0, 2.23000001907349, 19.0, 2.45099997520447
-InChI%3D1S%2FC19H20N2O2%2Fc1-2-3-14-17-18%2822%2920%2815-10-6-4-7-11-15%2921%2819%2817%2923%2916-12-8-5-9-13-16%2Fh4-13%2C17H%2C2-3%2C14H2%2C1H3, 34.6782989501953, 1.0, 4.0, 2.83383560180664, , 18.0, 0.0, 25.0, 12.0, 4.0, 12.0, -1.68340003490448, 5.0, 3.10999989509583, 43.0, 5.66400003433228
-InChI%3D1S%2FC10H14N4O4%2Fc1-12-8-7%289%2817%2913%282%2910%2812%2918%2914%285-11-8%293-6%2816%294-15%2Fh5-6%2C15-16H%2C3-4H2%2C1-2H3, 47.1269989013672, 0.0, 3.0, 2.19395351409912, , 6.0, 3.0, 19.0, 5.0, 5.0, 0.0, -1.4811999797821, 3.0, 1.67999994754791, 32.0, -2.00600004196167
-InChI%3D1S%2FC19H25N5O4%2Fc1-26-15-10-12-13%2811-16%2815%2927-2%2921-19%2822-17%2812%2920%2924-7-5-23%286-8-24%2918%2825%2914-4-3-9-28-14%2Fh10-11%2C14H%2C3-9H2%2C1-2H3%2C%28H2%2C20%2C21%2C22%29, 74.6837005615234, 0.0, 0.0, 3.00328898429871, , 12.0, 3.0, 31.0, 6.0, 2.0, 6.0, -1.73300004005432, 5.0, 2.55999994277954, 55.0, 0.439999997615814
-InChI%3D1S%2FC28H37FO7%2Fc1-15%282%2924%2834%2936-28%2823%2833%2914-35-17%284%2930%2916%283%2911-21-20-8-7-18-12-19%2831%299-10-25%2818%2C5%2927%2820%2C29%2922%2832%2913-26%2821%2C28%296%2Fh9-10%2C12%2C15-16%2C20-22%2C32H%2C7-8%2C11%2C13-14H2%2C1-6H3%2Ft16-%2C20-%2C21%3F%2C22-%2C25-%2C26-%2C27%3F%2C28-%2Fm0%2Fs1, 129.260498046875, 0.0, 3.0, 0.290089964866638, , 6.0, 1.0, 39.0, 0.0, 7.0, 0.0, 0.538600027561188, 7.0, 3.66000008583069, 73.0, 2.73499989509583
-InChI%3D1S%2FC17H35N5O6%2Fc1-7%2819%299-5-4-8%2820%2917%2827-9%2928-15-11%2821%2913%2824%2916%2826-3%2912%2814%2815%2925%2922%282%2910%2823%296-18%2Fh7-9%2C11-17%2C24-25H%2C4-6%2C18-21H2%2C1-3H3%2Ft7-%2C8%3F%2C9-%2C11-%2C12-%2C13-%2C14%2B%2C15%3F%2C16%3F%2C17%2B%2Fm0%2Fs1, 95.7522964477539, 2.0, 2.0, 34.3466339111328, , 3.0, 6.0, 29.0, 0.0, 6.0, 0.0, -5.86059999465942, 7.0, 2.11999988555908, 63.0, -3.91300010681152
-InChI%3D1S%2FC22H22N2O8%2Fc1-7-8-5-4-6-9%2825%2911%288%2916%2826%2912-10%287%2917%2827%2914-15%2824%282%293%2918%2828%2913%2821%2823%2931%2920%2830%2922%2814%2C32%2919%2812%2929%2Fh4-6%2C10%2C14-15%2C17%2C25%2C27-29%2C32H%2C1H2%2C2-3H3%2C%28H2%2C23%2C31%29%2Ft10-%2C14-%2C15%2B%2C17%2B%2C22%2B%2Fm1%2Fs1, 87.1699981689453, 1.0, 0.0, 7.10169219970703, , 14.0, 7.0, 35.0, 6.0, 2.0, 6.0, -2.66490006446838, 2.0, 2.77999997138977, 54.0, 0.695999979972839
-InChI%3D1S%2FC18H23NO%2Fc1-15-9-7-8-12-17%2815%2918%2820-14-13-19%282%293%2916-10-5-4-6-11-16%2Fh4-12%2C18H%2C13-14H2%2C1-3H3, 34.2349014282227, 1.0, 2.0, 0.460362255573273, , 6.0, 0.0, 21.0, 12.0, 7.0, 12.0, 0.67849999666214, 6.0, 3.22000002861023, 43.0, 6.04899978637695
-InChI%3D1S%2FC4H6O4%2Fc5-3%286%291-2-4%287%298%2Fh1-2H2%2C%28H%2C5%2C6%29%28H%2C7%2C8%29, 23.5370006561279, 0.0, 4.0, 0.168099999427795, , 3.0, 2.0, 7.0, 0.0, 8.0, 0.0, -0.409999996423721, 3.0, 1.46000003814697, 14.0, -0.709999978542328
-InChI%3D1S%2FC9H8O4%2Fc1-6%2810%2913-8-5-3-2-4-7%288%299%2811%2912%2Fh2-5H%2C1H3%2C%28H%2C11%2C12%29, 18.9354000091553, 0.0, 2.0, 0.103041000664234, , 12.0, 1.0, 13.0, 6.0, 4.0, 6.0, -0.321000009775162, 3.0, 2.00999999046326, 21.0, 2.02099990844727
-InChI%3D1S%2FC17H16ClN3O%2Fc18-12-5-6-15-13%2811-12%2917%2821-9-7-19-8-10-21%2920-14-3-1-2-4-16%2814%2922-15%2Fh1-6%2C11%2C19H%2C7-10H2, 38.0820999145508, 0.0, 0.0, 0.0678081586956978, , 16.0, 1.0, 25.0, 12.0, 0.0, 12.0, -0.260399997234344, 1.0, 2.77999997138977, 38.0, 4.06899976730347
-InChI%3D1S%2FC27H43NO9%2Fc1-11-4-5-14-24%283%2C34%2916-12%2810-28%2814%299-11%2913-8-25-21%2826%2813%2C35%2922%2833%2917%2816%2930%2919%2832%2918%2831%2920-23%2825%2C2%297-6-15%2829%2927%2820%2C36%2937-25%2Fh11-22%2C29-36H%2C4-10H2%2C1-3H3%2Ft11-%2C12%3F%2C13-%2C14-%2C15-%2C16%2B%2C17%2B%2C18-%2C19%2B%2C20-%2C21%2B%2C22-%2C23-%2C24%2B%2C25%3F%2C26%3F%2C27%3F%2Fm0%2Fs1, 120.46549987793, 1.0, 0.0, 33.8514518737793, , 0.0, 8.0, 43.0, 0.0, 0.0, 0.0, -5.81820011138916, 0.0, 3.32999992370605, 80.0, -0.41499999165535
-InChI%3D1S%2FC7H11NO2%2Fc1-3-7%282%294-5%289%298-6%287%2910%2Fh3-4H2%2C1-2H3%2C%28H%2C8%2C9%2C10%29, 36.2402000427246, 0.0, 0.0, 0.0563587583601475, , 5.0, 1.0, 10.0, 0.0, 1.0, 0.0, -0.237399995326996, 1.0, 1.89999997615814, 21.0, 0.750999987125397
-InChI%3D1S%2FC16H16N2O6S2%2Fc1-8%2819%2924-6-9-7-26-15-12%2814%2821%2918%2815%2913%289%2916%2822%2923%2917-11%2820%295-10-3-2-4-25-10%2Fh2-4%2C12%2C15H%2C5-7H2%2C1H3%2C%28H%2C17%2C20%29%28H%2C22%2C23%29%2Ft12-%2C15-%2Fm1%2Fs1, 79.3404006958008, 0.0, 2.0, 5.28999999005464e-06, , 8.0, 2.0, 28.0, 5.0, 5.0, 5.0, 0.00230000005103648, 7.0, 2.11999988555908, 42.0, 0.384999990463257
-InChI%3D1S%2FC27H29NO10%2Fc1-10-22%2830%2914%2828%297-17%2837-10%2938-16-9-27%2835%2C11%282%2929%298-13-19%2816%2926%2834%2921-20%2824%2813%2932%2923%2831%2912-5-4-6-15%2836-3%2918%2812%2925%2821%2933%2Fh4-6%2C10%2C14%2C16-17%2C22%2C30%2C32%2C34-35H%2C7-9%2C28H2%2C1-3H3%2Ft10-%2C14-%2C16-%2C17-%2C22%2B%2C27-%2Fm0%2Fs1, 83.5857009887695, 0.0, 0.0, 14.0385103225708, , 19.0, 5.0, 42.0, 12.0, 2.0, 12.0, -3.7467999458313, 4.0, 3.22000002861023, 67.0, -1.07099997997284
-InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5%2C9H%2C1H3, 14.5530004501343, 0.0, 0.0, 0.201690807938576, , 10.0, 1.0, 11.0, 6.0, 4.0, 6.0, -0.449099987745285, 2.0, 2.00999999046326, 19.0, 1.39100003242493
-InChI%3D1S%2FC19H17ClN2O%2Fc20-15-8-9-17-16%2810-15%2919%2814-4-2-1-3-5-14%2921-11-18%2823%2922%2817%2912-13-6-7-13%2Fh1-5%2C8-10%2C13H%2C6-7%2C11-12H2, 40.6408004760742, 0.0, 0.0, 0.000353440002072603, , 17.0, 0.0, 26.0, 12.0, 0.0, 12.0, 0.0187999997287989, 3.0, 3.10999989509583, 40.0, 4.59000015258789
-InChI%3D1S%2FC9H13N3O5%2Fc10-5-1-2-12%289%2816%2911-5%298-7%2815%296%2814%294%283-13%2917-8%2Fh1-2%2C4%2C6-8%2C13-15H%2C3H2%2C%28H2%2C10%2C11%2C16%29%2Ft4%3F%2C6-%2C7%2B%2C8%3F%2Fm1%2Fs1, 54.2067985534668, 1.0, 0.0, 2.89442157745361, , 3.0, 6.0, 18.0, 0.0, 2.0, 0.0, -1.70130002498627, 2.0, 1.57000005245209, 34.0, -1.93099999427795
-InChI%3D1S%2FC10H14N4O3%2Fc1-6%2815%294-14-5-11-8-7%2814%299%2816%2913%283%2910%2817%2912%288%292%2Fh5-6%2C15H%2C4H2%2C1-3H3, 45.7489013671875, 0.0, 3.0, 0.962753415107727, , 6.0, 2.0, 18.0, 5.0, 4.0, 0.0, -0.981199979782104, 2.0, 1.78999996185303, 31.0, -0.874000012874603
-InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3, 23.6714992523193, 0.0, 2.0, 0.175728633999825, , 2.0, 2.0, 12.0, 5.0, 3.0, 0.0, -0.419200003147125, 3.0, 1.46000003814697, 21.0, 0.017000000923872
-InChI%3D1S%2FC14H10N2O6%2Fc17-11-3-1-7%285-9%2811%2913%2819%2920%2915-16-8-2-4-12%2818%2910%286-8%2914%2821%2922%2Fh1-6%2C17-18H%2C%28H%2C19%2C20%29%28H%2C21%2C22%29, 19.5678005218506, 0.0, 0.0, 1.96056008338928, , 22.0, 4.0, 23.0, 12.0, 3.0, 12.0, -1.40020000934601, 4.0, 2.11999988555908, 32.0, 3.08400011062622
-InChI%3D1S%2FC11H11ClO3%2Fc1-2-5-15-10-4-3-8%286-9%2810%2912%297-11%2813%2914%2Fh2-4%2C6H%2C1%2C5%2C7H2%2C%28H%2C13%2C14%29, 33.8625984191895, 0.0, 3.0, 1.21947848796844, , 7.0, 1.0, 15.0, 6.0, 4.0, 6.0, 1.10430002212524, 5.0, 2.23000001907349, 26.0, 2.29200005531311
-InChI%3D1S%2FC13H21NO3%2Fc1-13%282%2C3%2914-7-12%2817%299-4-5-11%2816%2910%286-9%298-15%2Fh4-6%2C12%2C14-17H%2C7-8H2%2C1-3H3, 43.3166007995605, 0.0, 2.0, 0.631866037845612, , 7.0, 4.0, 17.0, 6.0, 8.0, 6.0, -0.794900000095367, 5.0, 2.45000004768372, 38.0, 1.17299997806549
-InChI%3D1S%2FC11H21N%2Fc1-10%282%298-5-6-9%287-8%2911%2810%2C3%2912-4%2Fh8-9%2C12H%2C5-7H2%2C1-4H3, 50.0315017700195, 0.0, 0.0, 0.507086396217346, , 0.0, 1.0, 13.0, 0.0, 2.0, 0.0, 0.712100028991699, 1.0, 2.55999994277954, 33.0, 2.65700006484985
-InChI%3D1S%2FC14H21N3O3S%2Fc1-12-6-8-13%289-7-12%2921%2819%2C20%2916-14%2818%2915-17-10-4-2-3-5-11-17%2Fh6-9H%2C2-5%2C10-11H2%2C1H3%2C%28H2%2C15%2C16%2C18%29, 49.0900001525879, 0.0, 0.0, 0.947312891483307, , 14.0, 2.0, 22.0, 6.0, 7.0, 6.0, -0.973299980163574, 4.0, 2.23000001907349, 42.0, 3.71499991416931
-InChI%3D1S%2FC19H19NOS%2Fc1-20-9-6-13%287-10-20%2918-15-5-3-2-4-14%2815%2912-17%2821%2919-16%2818%298-11-22-19%2Fh2-5%2C8%2C11H%2C6-7%2C9-10%2C12H2%2C1H3, 52.4897994995117, 0.0, 0.0, 1.18396162986755, , 15.0, 0.0, 25.0, 11.0, 0.0, 11.0, 1.08809995651245, 0.0, 3.22000002861023, 41.0, 3.88599991798401
-InChI%3D1S%2FC28H31FN4O%2Fc1-34-25-12-8-21%289-13-25%2914-17-32-18-15-24%2816-19-32%2930-28-31-26-4-2-3-5-27%2826%2933%2828%2920-22-6-10-23%2829%2911-7-22%2Fh2-13%2C24H%2C14-20H2%2C1H3%2C%28H%2C30%2C31%29, 54.714298248291, 1.0, 2.0, 0.216132014989853, , 10.0, 1.0, 38.0, 18.0, 2.0, 18.0, -0.464899986982346, 7.0, 3.88000011444092, 65.0, 7.51800012588501
-InChI%3D1S%2FC14H21N3O3S%2Fc1-10-7-8-12%289-13%2810%2915%2921%2819%2C20%2917-14%2818%2916-11-5-3-2-4-6-11%2Fh7-9%2C11H%2C2-6%2C15H2%2C1H3%2C%28H2%2C16%2C17%2C18%29, 47.2057991027832, 0.0, 0.0, 4.8845419883728, , 14.0, 3.0, 22.0, 6.0, 7.0, 6.0, -2.21009993553162, 4.0, 2.23000001907349, 42.0, 2.45199990272522
-InChI%3D1S%2FC8H8F3N3O4S2%2Fc9-8%2810%2C11%294-1-5-7%282-6%284%2919%2812%2C15%2916%2920%2817%2C18%2914-3-13-5%2Fh1-2%2C13-14H%2C3H2%2C%28H2%2C12%2C15%2C16%29, 36.2517013549805, 0.0, 0.0, 1.41562402248383, , 15.0, 3.0, 21.0, 6.0, 4.0, 6.0, -1.18980002403259, 2.0, 1.01999998092651, 28.0, -0.245000004768372
-InChI%3D1S%2FC28H31N3O6%2Fc1-18-24%2827%2832%2936-3%2926%2821-11-7-12-22%2815-21%2931%2834%2935%2925%2819%282%2929-18%2928%2833%2937-23-13-8-14-30%2817-23%2916-20-9-5-4-6-10-20%2Fh4-7%2C9-12%2C15%2C23%2C26%2C29H%2C8%2C13-14%2C16-17H2%2C1-3H3%2Ft23-%2C26-%2Fm1%2Fs1, 82.6865005493164, 1.0, 0.0, 0.280370235443115, , 11.0, 1.0, 40.0, 12.0, 4.0, 12.0, -0.529500007629395, 9.0, 3.54999995231628, 68.0, 7.21400022506714
-InChI%3D1S%2FC20H31NO%2Fc22-20%2818-10-4-1-5-11-18%2C19-12-6-2-7-13-19%2914-17-21-15-8-3-9-16-21%2Fh1%2C4-5%2C10-11%2C19%2C22H%2C2-3%2C6-9%2C12-17H2, 53.9897994995117, 1.0, 3.0, 6.29056549072266, , 6.0, 1.0, 24.0, 6.0, 4.0, 6.0, -2.5081000328064, 5.0, 3.44000005722046, 53.0, 5.96000003814697
-InChI%3D1S%2FC21H26O2%2Fc1-4-21%2822%2912-10-19-18-7-5-14-13-15%2823-3%296-8-16%2814%2917%2818%299-11-20%2819%2C21%292%2Fh1%2C6%2C8%2C13%2C17-19%2C22H%2C5%2C7%2C9-12H2%2C2-3H3%2Ft17-%2C18%3F%2C19%2B%2C20%3F%2C21%2B%2Fm1%2Fs1, 65.5568008422852, 1.0, 2.0, 1.02535879611969, , 7.0, 1.0, 26.0, 6.0, 2.0, 6.0, 1.01259994506836, 1.0, 3.54999995231628, 49.0, 5.18599987030029
-InChI%3D1S%2FC18H26ClN3O%2Fc1-3-22%2811-12-23%2910-4-5-14%282%2921-17-8-9-20-18-13-15%2819%296-7-16%2817%2918%2Fh6-9%2C13-14%2C23H%2C3-5%2C10-12H2%2C1-2H3%2C%28H%2C20%2C21%29, 53.6250991821289, 0.0, 5.0, 0.0965966433286667, , 11.0, 2.0, 24.0, 11.0, 12.0, 10.0, -0.310799986124039, 9.0, 2.89000010490417, 49.0, 3.01600003242493
-InChI%3D1S%2FC15H14FN3O3%2Fc1-3-22-15%2821%2913-12-7-18%282%2914%2820%2910-6-9%2816%294-5-11%2810%2919%2812%298-17-13%2Fh4-6%2C8H%2C3%2C7H2%2C1-2H3, 37.9030990600586, 0.0, 2.0, 0.0545689612627029, , 10.0, 1.0, 24.0, 11.0, 5.0, 6.0, 0.233600005507469, 3.0, 2.33999991416931, 36.0, 1.82299995422363
-InChI%3D1S%2FC19H21N5O2%2Fc1-22-9-11-23%2812-10-22%2913-17%2825%2924-16-7-3-2-5-14%2816%2919%2826%2921-15-6-4-8-20-18%2815%2924%2Fh2-8H%2C9-13H2%2C1H3%2C%28H%2C21%2C26%29, 50.8213996887207, 0.0, 2.0, 0.552197635173798, , 18.0, 1.0, 29.0, 12.0, 3.0, 12.0, -0.743099987506866, 3.0, 2.77999997138977, 47.0, 2.1489999294281
-InChI%3D1S%2FC18H24I3N3O8%2Fc1-24%284-9%2828%296-26%2918%2831%2912-13%2819%2911%2817%2830%2922-3-8%2827%295-25%2914%2820%2916%2815%2812%2921%2923-10%2829%297-32-2%2Fh8-9%2C25-28H%2C3-7H2%2C1-2H3%2C%28H%2C22%2C30%29%28H%2C23%2C29%29, 119.523597717285, 3.0, 3.0, 1.41895747184753, , 15.0, 6.0, 32.0, 6.0, 9.0, 6.0, 1.19120001792908, 12.0, 1.89999997615814, 56.0, -0.135000005364418
-InChI%3D1S%2FC10H20O2%2Fc1-9%282%2C11%298-4-6-10%283%2C12%297-5-8%2Fh8%2C11-12H%2C4-7H2%2C1-3H3, 47.5427017211914, 0.0, 0.0, 0.29637137055397, , 0.0, 2.0, 12.0, 0.0, 3.0, 0.0, 0.544399976730347, 1.0, 2.33999991416931, 32.0, 1.57700002193451
-InChI%3D1S%2FC10H13N5O4%2Fc11-8-5-9%2813-2-12-8%2915%283-14-5%2910-7%2818%296%2817%294%281-16%2919-10%2Fh2-4%2C6-7%2C10%2C16-18H%2C1H2%2C%28H2%2C11%2C12%2C13%29%2Ft4%3F%2C6-%2C7-%2C10%3F%2Fm1%2Fs1, 34.5163993835449, 0.0, 0.0, 5.19429683685303, , 9.0, 5.0, 21.0, 10.0, 2.0, 6.0, -2.27909994125366, 2.0, 1.57000005245209, 32.0, -1.80900001525879
-InChI%3D1S%2FC5H11NO2%2Fc1-6%282%2C3%294-5%287%298%2Fh4H2%2C1-3H3, 26.593599319458, 0.0, 2.0, 5.09134101867676, , 3.0, 0.0, 7.0, 0.0, 8.0, 0.0, -2.2564001083374, 2.0, 1.67999994754791, 19.0, -1.22699999809265
-InChI%3D1S%2FC10H22Cl2N2O4%2Fc11-1-3-13-5-7%2815%299%2817%2910%2818%298%2816%296-14-4-2-12%2Fh7-10%2C13-18H%2C1-6H2%2Ft7-%2C8-%2C9-%2C10-%2Fm1%2Fs1, 69.9543991088867, 2.0, 6.0, 1.75668513774872, , 0.0, 6.0, 17.0, 0.0, 18.0, 0.0, -1.32539999485016, 11.0, 1.67999994754791, 40.0, -1.72000002861023
-InChI%3D1S%2FC33H49NO10S%2Fc1-21-17-23-24-12-14-33%2840%2C32%2824%2C3%2919-26%2836%2930%2823%2931%282%2913-11-22%2835%2918-25%2821%2931%2927%2837%2920-44-29%2839%2910-8-6-5-7-9-28%2838%2934%284%2915-16-45%2841%2C42%2943%2Fh11%2C13%2C18%2C21%2C23-24%2C26%2C30%2C36%2C40H%2C5-10%2C12%2C14-17%2C19-20H2%2C1-4H3%2C%28H%2C41%2C42%2C43%29%2Ft21-%2C23-%2C24%3F%2C26-%2C30%3F%2C31-%2C32-%2C33-%2Fm0%2Fs1, 159.233001708984, 2.0, 8.0, 7.52898740768433, , 6.0, 3.0, 48.0, 0.0, 22.0, 0.0, -2.74390006065369, 15.0, 3.76999998092651, 94.0, 1.87999999523163
-InChI%3D1S%2FC24H31N3O2S%2Fc1-2-22%2829%2919-8-9-24-21%2818-19%2927%2820-6-3-4-7-23%2820%2930-24%2911-5-10-25-12-14-26%2815-13-25%2916-17-28%2Fh3-4%2C6-9%2C18%2C28H%2C2%2C5%2C10-17H2%2C1H3, 75.4552001953125, 0.0, 3.0, 0.0412090010941029, , 15.0, 1.0, 33.0, 12.0, 4.0, 12.0, -0.202999994158745, 8.0, 3.44000005722046, 61.0, 3.04999995231628
-InChI%3D1S%2FC11H12Cl2N2O%2Fc1-7%2811-14-5-6-15-11%2916-10-8%2812%293-2-4-9%2810%2913%2Fh2-4%2C7H%2C5-6H2%2C1H3%2C%28H%2C14%2C15%29, 40.007999420166, 0.0, 2.0, 0.303711205720901, , 7.0, 1.0, 17.0, 6.0, 3.0, 6.0, 0.551100015640259, 3.0, 2.11999988555908, 28.0, 2.50200009346008
-InChI%3D1S%2FC10H24N2O2%2Fc1-3-9%287-13%2911-5-6-12-10%284-2%298-14%2Fh9-14H%2C3-8H2%2C1-2H3%2Ft9-%2C10-%2Fm0%2Fs1, 54.9944000244141, 0.0, 4.0, 5.24043655395508, , 0.0, 4.0, 13.0, 0.0, 14.0, 0.0, -2.28920006752014, 9.0, 2.11999988555908, 38.0, -0.34400001168251
-InChI%3D1S%2FC12H18O2%2Fc1-2-3-4-5-6-10-7-8-11%2813%299-12%2810%2914%2Fh7-9%2C13-14H%2C2-6H2%2C1H3, 27.5396995544434, 0.0, 6.0, 3.83728909492493, , 8.0, 2.0, 14.0, 6.0, 6.0, 6.0, -1.958899974823, 5.0, 2.55999994277954, 32.0, 3.82699990272522
-InChI%3D1S%2FC11H12N2O2S%2Fc1-7%2813%2815%2911%2812%2914%2910-6-8-4-2-3-5-9%288%2916-10%2Fh2-7%2C15H%2C1H3%2C%28H2%2C12%2C14%29, 30.6322002410889, 0.0, 0.0, 0.00321488990448415, , 9.0, 3.0, 17.0, 10.0, 7.0, 9.0, 0.0566999986767769, 3.0, 2.11999988555908, 28.0, 2.60199999809265
-InChI%3D1S%2FC8H10N6%2Fc9-11-7-5-3-1-2-4-6%285%298%2812-10%2914-13-7%2Fh1-4H%2C9-10H2%2C%28H%2C11%2C13%29%28H%2C12%2C14%29, 27.9654006958008, 0.0, 0.0, 4.59759378433228, , 14.0, 4.0, 15.0, 6.0, 2.0, 6.0, -2.14420008659363, 0.0, 1.67999994754791, 24.0, 1.20000004768372
-InChI%3D1S%2FC42H69NO15%2Fc1-23%282%2919-32%2847%2956-40-27%286%2953-34%2822-42%2840%2C8%2950%2957-37-26%285%2954-41%2836%2849%2935%2837%2943%289%2910%2958-38-29%2817-18-44%2920-24%283%2930%2846%2916-14-12-13-15-25%284%2952-33%2848%2921-31%2839%2838%2951-11%2955-28%287%2945%2Fh12-14%2C16%2C18%2C23-27%2C29-31%2C34-41%2C46%2C49-50H%2C15%2C17%2C19-22H2%2C1-11H3%2Fb13-12-%2C16-14-%2Ft24-%2C25-%2C26-%2C27%2B%2C29%3F%2C30%2B%2C31-%2C34%2B%2C35-%2C36-%2C37-%2C38%2B%2C39%3F%2C40-%2C41%3F%2C42-%2Fm1%2Fs1, 207.953796386719, 2.0, 4.0, 0.637442588806152, , 4.0, 3.0, 60.0, 0.0, 7.0, 0.0, -0.798399984836578, 14.0, 4.32000017166138, 127.0, 2.95099997520447
-InChI%3D1S%2FC5H5N5%2Fc6-4-3-5%289-1-7-3%2910-2-8-4%2Fh1-2H%2C%28H3%2C6%2C7%2C8%2C9%2C10%29, 4.22209978103638, 0.0, 0.0, 0.562350034713745, , 9.0, 3.0, 11.0, 10.0, 0.0, 6.0, -0.749899983406067, 0.0, 1.46000003814697, 14.0, -0.551999986171722
-InChI%3D1S%2FC40H52O2%2Fc1-29%2817-13-19-31%283%2921-23-35-33%285%2937%2841%2925-27-39%2835%2C7%298%2915-11-12-16-30%282%2918-14-20-32%284%2922-24-36-34%286%2938%2842%2926-28-40%2836%2C9%2910%2Fh11-24H%2C25-28H2%2C1-10H3, 193.526992797852, 1.0, 18.0, 79.7127532958984, , 26.0, 0.0, 43.0, 0.0, 22.0, 0.0, 8.92819976806641, 10.0, 5.6399998664856, 94.0, 10.7880001068115
-InChI%3D1S%2FC11H17N%2Fc1-11%282%2C12-3%299-10-7-5-4-6-8-10%2Fh4-8%2C12H%2C9H2%2C1-3H3, 27.5193004608154, 0.0, 3.0, 0.356647849082947, , 6.0, 1.0, 12.0, 6.0, 6.0, 6.0, 0.597199976444244, 3.0, 2.55999994277954, 29.0, 4.38899993896484
-InChI%3D1S%2FC15H11I4NO4%2Fc16-8-4-7%285-9%2817%2913%288%2921%2924-14-10%2818%291-6%282-11%2814%2919%293-12%2820%2915%2822%2923%2Fh1-2%2C4-5%2C12%2C21H%2C3%2C20H2%2C%28H%2C22%2C23%29%2Ft12-%2Fm0%2Fs1, 79.5980987548828, 0.0, 3.0, 15.853138923645, , 14.0, 3.0, 25.0, 12.0, 6.0, 12.0, 3.98160004615784, 5.0, 2.11999988555908, 35.0, 2.84699988365173
-InChI%3D1S%2FC19H29IO2%2Fc1-3-22-19%2821%2915-9-7-5-4-6-8-12-16%282%2917-13-10-11-14-18%2817%2920%2Fh10-11%2C13-14%2C16H%2C3-9%2C12%2C15H2%2C1-2H3, 65.2342987060547, 2.0, 11.0, 0.142506256699562, , 6.0, 0.0, 22.0, 6.0, 15.0, 6.0, 0.377499997615814, 12.0, 3.22000002861023, 51.0, 8.2519998550415
-InChI%3D1S%2FC27H20N4O9S2.2Na%2Fc32-14-15-13-22%2830-28-20-9-11-23%2841%2835%2C36%2937%2918-7-3-1-5-16%2818%2920%2927%2834%2925%2826%2815%2933%2931-29-21-10-12-24%2842%2838%2C39%2940%2919-8-4-2-6-17%2819%2921%3B%3B%2Fh1-13%2C32-34H%2C14H2%2C%28H%2C35%2C36%2C37%29%28H%2C38%2C39%2C40%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb30-28%2B%2C31-29%2B%3B%3B, , 2.0, 0.0, , , 40.0, 3.0, 46.0, 28.0, 3.0, 26.0, , 7.0, 2.55999994277954, 62.0, 5.38899993896484
-InChI%3D1S%2FC19H21ClN4O5%2Fc1-19%282%2C29-13-7-5-12%2820%296-8-13%2917%2826%2928-10-9-24-11-21-15-14%2824%2916%2825%2923%284%2918%2827%2922%2815%293%2Fh5-8%2C11H%2C9-10H2%2C1-4H3, 65.8943023681641, 0.0, 3.0, 0.339888989925385, , 7.0, 1.0, 31.0, 11.0, 9.0, 6.0, 0.583000004291534, 7.0, 2.45000004768372, 50.0, 1.95200002193451
-InChI%3D1S%2FC11H17NO3%2Fc1-7%2812%2911%2813%299-6-8%2814-2%294-5-10%289%2915-3%2Fh4-7%2C11%2C13H%2C12H2%2C1-3H3, 34.1128005981445, 0.0, 3.0, 1.85858690738678, , 8.0, 2.0, 15.0, 6.0, 5.0, 6.0, -1.36329996585846, 4.0, 2.23000001907349, 32.0, 0.609000027179718
-InChI%3D1S%2FC18H19N3O%2Fc1-12-19-9-10-21%2812%2911-13-7-8-16-17%2818%2813%2922%2914-5-3-4-6-15%2814%2920%2816%292%2Fh3-6%2C9-10%2C13H%2C7-8%2C11H2%2C1-2H3, 39.9748001098633, 0.0, 0.0, 0.0866124927997589, , 11.0, 1.0, 25.0, 15.0, 0.0, 9.0, 0.294299989938736, 2.0, 3.0, 41.0, 2.92300009727478
-InChI%3D1S%2FC23H24N2O4S%2Fc1-2-3-6-21-24-14-19%2812-18%2823%2828%2929%2913-20-5-4-11-30-20%2925%2821%2915-16-7-9-17%2810-8-16%2922%2826%2927%2Fh4-5%2C7-12%2C14H%2C2-3%2C6%2C13%2C15H2%2C1H3%2C%28H%2C26%2C27%29%28H%2C28%2C29%29, 58.3288993835449, 1.0, 4.0, 0.00697225006297231, , 10.0, 3.0, 32.0, 16.0, 6.0, 16.0, -0.0834999978542328, 10.0, 3.22000002861023, 54.0, 5.50899982452393
-InChI%3D1S%2FC19H23N3O4S%2Fc1-18%282%2913%2817%2825%2926%2921-15%2824%2912%2816%2821%2927-18%2922-14%2823%2911%2820-19%2822%2C3%294%2910-8-6-5-7-9-10%2Fh5-9%2C11-13%2C16%2C20H%2C1-4H3%2C%28H%2C25%2C26%29%2Ft11%3F%2C12-%2C13%2B%2C16-%2Fm1%2Fs1, 74.2077026367188, 0.0, 0.0, 0.924674570560455, , 6.0, 2.0, 30.0, 6.0, 2.0, 6.0, -0.961600005626678, 3.0, 2.67000007629395, 50.0, 3.20600008964539
-InChI%3D1S%2FC16H19BrN2%2Fc1-19%282%2912-10-15%2816-5-3-4-11-18-16%2913-6-8-14%2817%299-7-13%2Fh3-9%2C11%2C15H%2C10%2C12H2%2C1-2H3%2Ft15-%2Fm0%2Fs1, 34.0872001647949, 0.0, 3.0, 0.633456826210022, , 6.0, 0.0, 20.0, 12.0, 6.0, 12.0, 0.795899987220764, 5.0, 2.89000010490417, 38.0, 4.62599992752075
-InChI%3D1S%2FC21H18ClNO6%2Fc1-12-16%2810-20%2826%2929-11-19%2824%2925%2917-9-15%2828-2%297-8-18%2817%2923%2812%2921%2827%2913-3-5-14%2822%296-4-13%2Fh3-9H%2C10-11H2%2C1-2H3%2C%28H%2C24%2C25%29, 48.7276000976562, 0.0, 2.0, 4.8999999080479e-07, , 18.0, 1.0, 31.0, 16.0, 8.0, 15.0, -0.000699999975040555, 8.0, 2.89000010490417, 47.0, 3.46099996566772
-InChI%3D1S%2FC17H20N2O6S%2Fc1-17%282%2912%2816%2822%2923%2919-14%2821%2911%2815%2819%2926-17%2918-13%2820%2910-8%2824-3%296-5-7-9%2810%2925-4%2Fh5-7%2C11-12%2C15H%2C1-4H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft11%3F%2C12-%2C15%2B%2Fm0%2Fs1, 69.1533966064453, 0.0, 0.0, 0.00326040992513299, , 11.0, 2.0, 28.0, 6.0, 3.0, 6.0, -0.0571000017225742, 5.0, 2.33999991416931, 46.0, 0.939000010490417
-InChI%3D1S%2FC30H30O8%2Fc1-11%282%2919-15-7-13%285%2921%2827%2835%2923%2815%2917%289-31%2925%2833%2929%2819%2937%2922-14%286%298-16-20%2812%283%294%2930%2838%2926%2834%2918%2810-32%2924%2816%2928%2822%2936%2Fh7-12%2C33-38H%2C1-6H3, 67.5151977539062, 2.0, 0.0, 0.513802230358124, , 30.0, 6.0, 41.0, 22.0, 2.0, 20.0, -0.716799974441528, 5.0, 3.88000011444092, 68.0, 5.51000022888184
-InChI%3D1S%2FC21H32O3%2Fc1-12%2822%2916-6-7-17-15-5-4-13-10-14%2823%298-9-20%2813%2C2%2919%2815%2918%2824%2911-21%2816%2C17%293%2Fh13-17%2C19%2C23H%2C4-11H2%2C1-3H3%2Ft13-%2C14%2B%2C15%3F%2C16%2B%2C17-%2C19%2B%2C20%3F%2C21%3F%2Fm0%2Fs1, 89.3310012817383, 0.0, 0.0, 0.110689289867878, , 1.0, 1.0, 27.0, 0.0, 2.0, 0.0, -0.33270001411438, 1.0, 3.44000005722046, 56.0, 3.59999990463257
-InChI%3D1S%2FC3H7NO2S%2Fc4-2%281-7%293%285%296%2Fh2%2C7H%2C1%2C4H2%2C%28H%2C5%2C6%29%2Ft2-%2Fm0%2Fs1, 28.1679992675781, 0.0, 3.0, 0.389625638723373, , 3.0, 2.0, 6.0, 0.0, 7.0, 0.0, -0.624199986457825, 2.0, 1.35000002384186, 14.0, -2.57500004768372
-InChI%3D1S%2FC13H13N5O5S2%2Fc1-23-17-7%285-4-25-13%2814%2915-5%299%2819%2916-8-10%2820%2918-6%2812%2821%2922%292-3-24-11%288%2918%2Fh2%2C4%2C8%2C11H%2C3H2%2C1H3%2C%28H2%2C14%2C15%29%28H%2C16%2C19%29%28H%2C21%2C22%29%2Fb17-7%2B%2Ft8-%2C11-%2Fm1%2Fs1, 90.2366027832031, 0.0, 2.0, 0.000806559983175248, , 8.0, 4.0, 27.0, 0.0, 7.0, 0.0, -0.0284000001847744, 5.0, 1.57000005245209, 40.0, 0.508000016212463
-InChI%3D1S%2FC6H9NO6%2Fc8-3-1-11-6-4%2813-7%289%2910%292-12-5%283%296%2Fh3-6%2C8H%2C1-2H2%2Ft3-%2C4%3F%2C5%3F%2C6%2B%2Fm0%2Fs1, 33.0547981262207, 0.0, 0.0, 0.923713207244873, , 4.0, 1.0, 14.0, 0.0, 4.0, 0.0, -0.961099982261658, 2.0, 1.35000002384186, 22.0, -0.907999992370605
-InChI%3D1S%2FC20H24O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C5%2C7%2C12%2C16-18%2C21-22H%2C4%2C6%2C8-11H2%2C2H3%2Ft16-%2C17%3F%2C18%3F%2C19%2B%2C20%2B%2Fm1%2Fs1, 60.8055992126465, 0.0, 2.0, 0.364936798810959, , 7.0, 2.0, 25.0, 6.0, 2.0, 6.0, 0.604099988937378, 0.0, 3.44000005722046, 46.0, 4.66699981689453
-InChI%3D1S%2FC25H29I2NO3%2Fc1-4-7-11-22-23%2818-10-8-9-12-21%2818%2931-22%2924%2829%2917-15-19%2826%2925%2820%2827%2916-17%2930-14-13-28%285-2%296-3%2Fh8-10%2C12%2C15-16H%2C4-7%2C11%2C13-14H2%2C1-3H3, 84.9536972045898, 2.0, 4.0, 7.51253271102905, , 9.0, 0.0, 33.0, 16.0, 8.0, 12.0, 2.74090003967285, 11.0, 3.54999995231628, 60.0, 7.77699995040894
-InChI%3D1S%2FC25H27N9O8S2%2Fc1-3-32-8-9-33%2821%2839%2920%2832%2938%2924%2842%2927-15%2812-4-6-14%2835%297-5-12%2918%2836%2926-16-19%2837%2934-17%2823%2840%2941%2913%2810-43-22%2816%2934%2911-44-25-28-29-30-31%2825%292%2Fh4-7%2C15-16%2C22%2C35H%2C3%2C8-11H2%2C1-2H3%2C%28H%2C26%2C36%29%28H%2C27%2C42%29%28H%2C40%2C41%29%2Ft15-%2C16%3F%2C22-%2Fm1%2Fs1, 120.33260345459, 1.0, 2.0, 0.828281998634338, , 9.0, 4.0, 48.0, 11.0, 7.0, 11.0, -0.910099983215332, 10.0, 2.11999988555908, 71.0, -0.647000014781952
-InChI%3D1S%2FC16H14O3%2Fc17-15%2810-11-16%2818%2919%2914-8-6-13%287-9-14%2912-4-2-1-3-5-12%2Fh1-9H%2C10-11H2%2C%28H%2C18%2C19%29, 21.6637001037598, 1.0, 4.0, 0.188355997204781, , 14.0, 1.0, 20.0, 12.0, 7.0, 12.0, -0.433999985456467, 5.0, 2.89000010490417, 33.0, 5.5310001373291
-InChI%3D1S%2FC9H13N3O%2Fc1-7%282%2911-12-9%2813%298-3-5-10-6-4-8%2Fh3-7%2C11H%2C1-2H3%2C%28H%2C12%2C13%29, 25.9368000030518, 0.0, 3.0, 1.00600898265839, , 10.0, 2.0, 13.0, 6.0, 7.0, 6.0, -1.00300002098083, 4.0, 2.00999999046326, 26.0, 1.68599998950958
-InChI%3D1S%2FC23H29ClO4%2Fc1-13%2825%2923%2828-14%282%2926%2910-7-18-16-12-20%2824%2919-11-15%2827%295-8-21%2819%2C3%2917%2816%296-9-22%2818%2C23%294%2Fh11-12%2C16-18H%2C5-10H2%2C1-4H3%2Ft16%3F%2C17-%2C18-%2C21%2B%2C22-%2C23-%2Fm0%2Fs1, 108.792999267578, 0.0, 0.0, 2.20849323272705, , 6.0, 0.0, 31.0, 0.0, 4.0, 0.0, 1.4860999584198, 3.0, 3.44000005722046, 57.0, 3.39000010490417
-InChI%3D1S%2FC20H28O2%2Fc1-15%288-6-9-16%282%2914-19%2821%2922%2911-12-18-17%283%2910-7-13-20%2818%2C4%295%2Fh6%2C8-9%2C11-12%2C14H%2C7%2C10%2C13H2%2C1-5H3%2C%28H%2C21%2C22%29, 96.6302032470703, 1.0, 9.0, 15.109546661377, , 13.0, 1.0, 22.0, 0.0, 13.0, 0.0, 3.88709998130798, 5.0, 3.44000005722046, 50.0, 6.25400018692017
-InChI%3D1S%2FC10H14N5O4%2Fc1-5-3-15%2810%2818%2912-9%285%2917%298-2-6%2813-14-11%297%284-16%2919-8%2Fh3%2C6-8%2C11%2C16H%2C2%2C4H2%2C1H3%2C%28H%2C12%2C17%2C18%29%2Ft6-%2C7%3F%2C8%2B%2Fm0%2Fs1, 55.6195983886719, 0.0, 0.0, 18.0523014068604, , 4.0, 4.0, 20.0, 0.0, 3.0, 0.0, -4.2487998008728, 3.0, 1.57000005245209, 36.0, -0.907000005245209
-InChI%3D1S%2FC17H21NO4%2Fc1-18-13-7-11%288-14%2818%2916-15%2813%2922-16%2921-17%2820%2912%289-19%2910-5-3-2-4-6-10%2Fh2-6%2C11-16%2C19H%2C7-9H2%2C1H3%2Ft11-%2C12-%2C13-%2C14%2B%2C15%3F%2C16%2B%2Fm1%2Fs1, 50.2165985107422, 0.0, 3.0, 2.4059112071991, , 6.0, 1.0, 25.0, 6.0, 6.0, 6.0, -1.55110001564026, 5.0, 2.77999997138977, 43.0, 2.49600005149841
-InChI%3D1S%2FC10H12ClNO4%2Fc11-7-1-3-9%284-2-7%2915-5-8%2813%296-16-10%2812%2914%2Fh1-4%2C8%2C13H%2C5-6H2%2C%28H2%2C12%2C14%29, 32.4492988586426, 0.0, 3.0, 0.327069610357285, , 7.0, 3.0, 16.0, 6.0, 9.0, 6.0, 0.571900010108948, 6.0, 1.89999997615814, 28.0, 2.06299996376038
-InChI%3D1S%2FC11H16N2O3%2Fc1-4-5-11%286-7%282%293%298%2814%2912-10%2816%2913-9%2811%2915%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 58.0401000976562, 0.0, 3.0, 0.242359295487404, , 8.0, 2.0, 16.0, 0.0, 4.0, 0.0, 0.492300003767014, 4.0, 2.11999988555908, 32.0, 2.70300006866455
-InChI%3D1S%2FC17H22NO%2Fc1-18%282%2C15-16-9-5-3-6-10-16%2913-14-19-17-11-7-4-8-12-17%2Fh3-12H%2C13-15H2%2C1-2H3%2Fq%2B1, 27.1490993499756, 1.0, 2.0, 1.84579396247864, , 7.0, 0.0, 20.0, 12.0, 7.0, 12.0, -1.35860002040863, 6.0, 3.10999989509583, 41.0, 5.13299989700317
-InChI%3D1S%2FC29H32O13%2Fc1-11-36-9-20-27%2840-11%2924%2831%2925%2832%2929%2841-20%2942-26-14-7-17-16%2838-10-39-17%296-13%2814%2921%2822-15%2826%298-37-28%2822%2933%2912-4-18%2834-2%2923%2830%2919%285-12%2935-3%2Fh4-7%2C11%2C15%2C20-22%2C24-27%2C29-32H%2C8-10H2%2C1-3H3%2Ft11-%2C15%3F%2C20%3F%2C21%3F%2C22%2B%2C24-%2C25-%2C26%3F%2C27-%2C29%3F%2Fm1%2Fs1, 90.7614974975586, 0.0, 0.0, 6.60644197463989, , 9.0, 3.0, 48.0, 12.0, 2.0, 12.0, -2.57030010223389, 5.0, 3.22000002861023, 74.0, 0.199000000953674
-InChI%3D1S%2FC14H24N2O7%2Fc1-5-4-6%2817%2914%2820%2913%2821-5%2922-12-10%2819%297%2815-2%299%2818%298%2816-3%2911%2812%2923-14%2Fh5%2C7-13%2C15-16%2C18-20H%2C4H2%2C1-3H3%2Ft5-%2C7%3F%2C8%2B%2C9%2B%2C10%2B%2C11-%2C12%3F%2C13%2B%2C14%2B%2Fm1%2Fs1, 75.6017990112305, 0.0, 0.0, 8.16644954681396, , 1.0, 5.0, 25.0, 0.0, 2.0, 0.0, -2.85770010948181, 2.0, 2.00999999046326, 47.0, -1.91299998760223
-InChI%3D1S%2FC10H22N4%2Fc11-10%2812%2913-6-9-14-7-4-2-1-3-5-8-14%2Fh1-9H2%2C%28H4%2C11%2C12%2C13%29, 47.5045013427734, 0.0, 2.0, 3.42213010787964, , 4.0, 3.0, 14.0, 0.0, 6.0, 0.0, -1.84990000724792, 4.0, 2.11999988555908, 36.0, 1.46099996566772
-InChI%3D1S%2FCHBr3%2Fc2-1%283%294%2Fh1H, 29.7896995544434, 0.0, 0.0, 4.96665811538696, , 0.0, 0.0, 3.0, 0.0, 4.0, 0.0, 2.228600025177, 0.0, 1.24000000953674, 5.0, 3.08800005912781
-InChI%3D1S%2FC12H26N4O6%2Fc13-2-5-8%2818%299%2819%296%2816%2912%2821-5%2922-11-4%2815%291-3%2814%297%2817%2910%2811%2920%2Fh3-12%2C17-20H%2C1-2%2C13-16H2%2Ft3-%2C4%3F%2C5%3F%2C6-%2C7%2B%2C8-%2C9-%2C10-%2C11%3F%2C12%3F%2Fm1%2Fs1, 71.7674026489258, 1.0, 0.0, 33.0257110595703, , 0.0, 8.0, 23.0, 0.0, 2.0, 0.0, -5.7467999458313, 3.0, 1.67999994754791, 48.0, -3.51999998092651
-InChI%3D1S%2FC18H25NO%2Fc1-19-10-9-18-8-4-3-5-15%2818%2917%2819%2911-13-6-7-14%2820-2%2912-16%2813%2918%2Fh6-7%2C12%2C15%2C17H%2C3-5%2C8-11H2%2C1-2H3%2Ft15-%2C17%3F%2C18%3F%2Fm0%2Fs1, 53.9015007019043, 0.0, 0.0, 0.349281013011932, , 7.0, 0.0, 23.0, 6.0, 2.0, 6.0, -0.591000020503998, 1.0, 3.22000002861023, 45.0, 4.20699977874756
-InChI%3D1S%2FC15H21N3O%2Fc1-11%285-3-7-16%2918-14-10-13%2819-2%299-12-6-4-8-17-15%2812%2914%2Fh4%2C6%2C8-11%2C18H%2C3%2C5%2C7%2C16H2%2C1-2H3, 34.6698989868164, 0.0, 5.0, 3.18836736679077, , 12.0, 2.0, 20.0, 11.0, 7.0, 10.0, -1.78559994697571, 6.0, 2.67000007629395, 40.0, 2.13299989700317
-InChI%3D1S%2FC19H17ClFN3O5S%2Fc1-7-10%2812%2823-29-7%2911-8%2820%295-4-6-9%2811%2921%2915%2825%2922-13-16%2826%2924-14%2818%2827%2928%2919%282%2C3%2930-17%2813%2924%2Fh4-6%2C13-14%2C17H%2C1-3H3%2C%28H%2C22%2C25%29%28H%2C27%2C28%29%2Ft13%3F%2C14-%2C17%2B%2Fm0%2Fs1, 68.3615036010742, 0.0, 0.0, 2.42082476615906, , 6.0, 3.0, 33.0, 11.0, 3.0, 6.0, 1.55589997768402, 4.0, 2.33999991416931, 47.0, 2.50500011444092
-InChI%3D1S%2FC18H21NO3%2Fc1-19-8-7-18-11-4-5-13%2820%2917%2818%2922-16-14%2821-2%296-3-10%2815%2816%2918%299-12%2811%2919%2Fh3%2C6%2C11-12%2C17H%2C4-5%2C7-9H2%2C1-2H3%2Ft11-%2C12%3F%2C17-%2C18%3F%2Fm0%2Fs1, 58.0499992370605, 0.0, 0.0, 0.381429761648178, , 8.0, 0.0, 26.0, 6.0, 2.0, 6.0, -0.61760002374649, 1.0, 3.0, 43.0, 1.42599999904633
-InChI%3D1S%2FC9H11FN2O5%2Fc10-4-2-12%289%2816%2911-8%284%2915%297-1-5%2814%296%283-13%2917-7%2Fh2%2C5-7%2C13-14H%2C1%2C3H2%2C%28H%2C11%2C15%2C16%29%2Ft5-%2C6%3F%2C7%2B%2Fm0%2Fs1, 49.0126991271973, 0.0, 0.0, 3.36575722694397, , 4.0, 4.0, 18.0, 0.0, 2.0, 0.0, -1.83459997177124, 2.0, 1.57000005245209, 32.0, -1.53400003910065
-InChI%3D1S%2FC23H46N6O13%2Fc24-2-7-13%2832%2915%2834%2910%2828%2921%2837-7%2940-18-6%2827%291-5%2826%2912%2831%2920%2818%2942-23-17%2836%2919%289%284-30%2939-23%2941-22-11%2829%2916%2835%2914%2833%298%283-25%2938-22%2Fh5-23%2C30-36H%2C1-4%2C24-29H2%2Ft5-%2C6%2B%2C7-%2C8%2B%2C9-%2C10-%2C11%3F%2C12%2B%2C13-%2C14-%2C15-%2C16-%2C17-%2C18-%2C19%3F%2C20%3F%2C21%3F%2C22-%2C23%2B%2Fm1%2Fs1, 133.946502685547, 2.0, 0.0, 86.6593399047852, , 0.0, 13.0, 45.0, 0.0, 2.0, 0.0, -9.30910015106201, 9.0, 1.89999997615814, 88.0, -6.91400003433228
-InChI%3D1S%2FC49H76O21%2Fc1-20-43%2868-37-15-30%2853%2944%2821%282%2963-37%2969-38-16-32%2865-23%284%2951%2945%2822%283%2964-38%2970-46-42%2859%2941%2858%2940%2857%2933%2818-50%2967-46%2929%2852%2914-36%2862-20%2966-26-9-10-47%285%2925%2812-26%297-8-27-28%2847%2913-34%2855%2948%286%2939%2824-11-35%2856%2961-19-24%2931%2854%2917-49%2827%2C48%2960%2Fh11%2C20-22%2C25-34%2C36-46%2C50%2C52-55%2C57-60H%2C7-10%2C12-19H2%2C1-6H3%2Ft20-%2C21-%2C22-%2C25%3F%2C26%3F%2C27-%2C28%2B%2C29%2B%2C30%2B%2C31%3F%2C32%2B%2C33%3F%2C34%3F%2C36%2B%2C37%2B%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42-%2C43%3F%2C44%3F%2C45%3F%2C46%2B%2C47%3F%2C48%3F%2C49%3F%2Fm1%2Fs1, 227.539505004883, 3.0, 0.0, 33.7828330993652, , 5.0, 9.0, 78.0, 0.0, 4.0, 0.0, -5.81230020523071, 12.0, 4.53999996185303, 146.0, 0.347000002861023
-InChI%3D1S%2FC49H76O19%2Fc1-22-43%2866-38-18-33%2853%2944%2823%282%2961-38%2967-39-19-34%2863-25%284%2951%2945%2824%283%2962-39%2968-46-42%2857%2941%2856%2940%2855%2935%2820-50%2965-46%2932%2852%2917-37%2860-22%2964-28-9-12-47%285%2927%2816-28%297-8-31-30%2847%2910-13-48%286%2929%2811-14-49%2831%2C48%2958%2926-15-36%2854%2959-21-26%2Fh15%2C22-24%2C27-35%2C37-46%2C50%2C52-53%2C55-58H%2C7-14%2C16-21H2%2C1-6H3%2Ft22-%2C23-%2C24-%2C27-%2C28%3F%2C29-%2C30%3F%2C31-%2C32%2B%2C33%2B%2C34%2B%2C35%3F%2C37%2B%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42-%2C43%3F%2C44%3F%2C45%3F%2C46%2B%2C47%3F%2C48-%2C49%3F%2Fm1%2Fs1, 224.931701660156, 3.0, 0.0, 20.0068340301514, , 5.0, 7.0, 76.0, 0.0, 4.0, 0.0, -4.47289991378784, 12.0, 4.76000022888184, 144.0, 2.61800003051758
-InChI%3D1S%2FC6H12N4O9%2Fc11-8%2812%2917-4-1-7%282-5-18-9%2813%2914%293-6-19-10%2815%2916%2Fh1-6H2, 43.8791999816895, 1.0, 2.0, 0.00161604001186788, , 4.0, 0.0, 18.0, 0.0, 19.0, 0.0, 0.0401999987661839, 12.0, 0.689999997615814, 31.0, 0.791999995708466
-InChI%3D1S%2FC24H26FNO4%2Fc1-15%282%2926-21-6-4-3-5-20%2821%2924%2816-7-9-17%2825%2910-8-16%2922%2826%2912-11-18%2827%2913-19%2828%2914-23%2829%2930%2Fh3-12%2C15%2C18-19%2C27-28H%2C13-14H2%2C1-2H3%2C%28H%2C29%2C30%29%2Fb12-11%2B%2Ft18-%2C19-%2Fm1%2Fs1, 55.8894996643066, 0.0, 7.0, 0.251502245664597, , 17.0, 3.0, 32.0, 16.0, 11.0, 15.0, -0.501500010490417, 8.0, 3.44000005722046, 56.0, 4.95800018310547
-InChI%3D1S%2FC12H14N4O2S%2Fc1-8-7-9%282%2915-12%2814-8%2916-19%2817%2C18%2911-5-3-10%2813%294-6-11%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29, 26.8286991119385, 0.0, 0.0, 0.651894748210907, , 17.0, 2.0, 20.0, 12.0, 4.0, 12.0, -0.807399988174438, 3.0, 2.00999999046326, 33.0, 1.73399996757507
-InChI%3D1S%2FC20H33N3O4%2Fc1-7-23%288-2%2919%2826%2922-15-9-10-18%2817%2811-15%2914%283%2924%2927-13-16%2825%2912-21-20%284%2C5%296%2Fh9-11%2C16%2C21%2C25H%2C7-8%2C12-13H2%2C1-6H3%2C%28H%2C22%2C26%29, 81.535400390625, 1.0, 3.0, 0.121521957218647, , 13.0, 3.0, 27.0, 6.0, 10.0, 6.0, 0.348600000143051, 11.0, 2.89000010490417, 60.0, 3.24000000953674
-InChI%3D1S%2FC21H26NO3.BrH%2Fc1-22%282%2915-9-14-19%2816-22%2925-20%2823%2921%2824%2C17-10-5-3-6-11-17%2918-12-7-4-8-13-18%3B%2Fh3-8%2C10-13%2C19%2C24H%2C9%2C14-16H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1, , 1.0, 2.0, , , 6.0, 1.0, 27.0, 12.0, 5.0, 12.0, , 5.0, 3.22000002861023, 52.0, 5.86499977111816
-InChI%3D1S%2FC19H18ClFN2O3%2Fc20-13-5-6-17-15%2811-13%2919%2814-3-1-2-4-16%2814%2921%2922%288-10-26-19%2912-18%2825%2923%2817%297-9-24%2Fh1-6%2C11%2C24H%2C7-10%2C12H2, 46.7226982116699, 0.0, 2.0, 0.0217267591506243, , 9.0, 1.0, 29.0, 12.0, 3.0, 12.0, -0.147400006651878, 3.0, 2.77999997138977, 44.0, 2.78800010681152
-InChI%3D1S%2FC21H32N6O3%2Fc1-4-19%2828%2927%2818-9-7-6-8-10-18%2921%2817-30-3%2911-13-24%2814-12-21%2915-16-26-20%2829%2925%285-2%2922-23-26%2Fh6-10H%2C4-5%2C11-17H2%2C1-3H3, 86.3235015869141, 0.0, 3.0, 6.28003597259521, , 9.0, 2.0, 32.0, 6.0, 5.0, 6.0, -2.50600004196167, 10.0, 2.77999997138977, 64.0, 3.53099989891052
-InChI%3D1S%2FC10H12N2%2Fc1-2-4-9%285-3-1%298-10-11-6-7-12-10%2Fh1-5H%2C6-8H2%2C%28H%2C11%2C12%29, 22.4853992462158, 0.0, 0.0, 0.413191825151443, , 6.0, 1.0, 13.0, 6.0, 0.0, 6.0, -0.642799973487854, 2.0, 2.33999991416931, 24.0, 3.13000011444092
-InChI%3D1S%2FC15H22O3%2Fc1-11-6-7-12%282%2913%2810-11%2918-9-5-8-15%283%2C4%2914%2816%2917%2Fh6-7%2C10H%2C5%2C8-9H2%2C1-4H3%2C%28H%2C16%2C17%29, 45.9565010070801, 0.0, 5.0, 2.52905416488647, , 7.0, 1.0, 18.0, 6.0, 10.0, 6.0, 1.59029996395111, 6.0, 2.77999997138977, 40.0, 3.74799990653992
-InChI%3D1S%2FC22H26F3N3OS%2Fc23-22%2824%2C25%2917-6-7-21-19%2816-17%2928%2818-4-1-2-5-20%2818%2930-21%299-3-8-26-10-12-27%2813-11-26%2914-15-29%2Fh1-2%2C4-7%2C16%2C29H%2C3%2C8-15H2, 66.0959014892578, 0.0, 3.0, 1.15089988708496, , 13.0, 1.0, 33.0, 12.0, 3.0, 12.0, 1.07280004024506, 7.0, 3.0, 56.0, 4.40899991989136
-InChI%3D1S%2FC18H31NO4%2Fc1-14%282%2919-11-17%2820%2913-23-18-7-5-16%286-8-18%2912-21-9-10-22-15%283%294%2Fh5-8%2C14-15%2C17%2C19-20H%2C9-13H2%2C1-4H3, 68.071403503418, 1.0, 3.0, 1.51536095142365, , 7.0, 2.0, 23.0, 6.0, 9.0, 6.0, -1.23099994659424, 12.0, 2.89000010490417, 54.0, 2.36899995803833
-InChI%3D1S%2FC22H32N2O5%2Fc1-6-23%287-2%2922%2826%2917-13-24-9-8-15-10-20%2827-4%2921%2828-5%2911-16%2815%2918%2824%2912-19%2817%2929-14%283%2925%2Fh10-11%2C17-19H%2C6-9%2C12-13H2%2C1-5H3, 83.8733978271484, 0.0, 2.0, 0.126522496342659, , 8.0, 0.0, 31.0, 6.0, 7.0, 6.0, -0.355699986219406, 8.0, 3.10999989509583, 61.0, 1.72800004482269
-InChI%3D1S%2FC19H24N2O4%2Fc1-13%289-14-3-6-16%2825-2%297-4-14%2920-11-19%2824%2915-5-8-18%2823%2917%2810-15%2921-12-22%2Fh3-8%2C10%2C12-13%2C19-20%2C23-24H%2C9%2C11H2%2C1-2H3%2C%28H%2C21%2C22%29%2Ft13-%2C19%2B%2Fm1%2Fs1, 47.8459014892578, 0.0, 3.0, 2.30675339698792, , 10.0, 4.0, 26.0, 12.0, 7.0, 12.0, -1.5188000202179, 8.0, 2.89000010490417, 49.0, 2.71000003814697
-InChI%3D1S%2FC6H10N6O%2Fc1-12%282%2911-10-6-4%285%287%2913%298-3-9-6%2Fh3H%2C1-2H3%2C%28H2%2C7%2C13%29%28H%2C8%2C9%29%2Fb11-10-, 26.0491008758545, 0.0, 0.0, 0.271128475666046, , 3.0, 3.0, 13.0, 5.0, 5.0, 0.0, -0.520699977874756, 3.0, 1.35000002384186, 22.0, -1.77999997138977
-InChI%3D1S%2FC13H20N6O4%2Fc1-7%282%298%2814%2912%2821%2923-4-3-22-6-19-5-16-9-10%2819%2917-13%2815%2918-11%289%2920%2Fh5%2C7-8H%2C3-4%2C6%2C14H2%2C1-2H3%2C%28H3%2C15%2C17%2C18%2C20%29%2Ft8-%2Fm0%2Fs1, 63.2215995788574, 0.0, 4.0, 1.78222501277924, , 4.0, 6.0, 24.0, 5.0, 12.0, 0.0, -1.33500003814697, 8.0, 1.78999996185303, 45.0, -0.170000001788139
-InChI%3D1S%2FC30H42O8%2Fc1-16-24%2832%2925%2833%2926%2834%2927%2837-16%2938-19-8-11-28%282%2918%2814-19%295-6-22-21%2828%299-12-29%283%2920%2810-13-30%2822%2C29%2935%2917-4-7-23%2831%2936-15-17%2Fh4%2C7%2C14-16%2C19-22%2C24-27%2C32-35H%2C5-6%2C8-13H2%2C1-3H3%2Ft16-%2C19-%2C20%2B%2C21%3F%2C22%2B%2C24-%2C25%2B%2C26%3F%2C27-%2C28-%2C29%2B%2C30%3F%2Fm0%2Fs1, 135.280303955078, 0.0, 0.0, 1.52399027347565, , 3.0, 4.0, 43.0, 0.0, 0.0, 0.0, -1.23450005054474, 3.0, 3.88000011444092, 84.0, 3.10500001907349
-InChI%3D1S%2FC3H9O6P%2Fc4-1-3%282-5%299-10%286%2C7%298%2Fh3-5H%2C1-2H2%2C%28H2%2C6%2C7%2C8%29, 30.8153991699219, 0.0, 3.0, 1.80606722831726, , 5.0, 4.0, 9.0, 0.0, 10.0, 0.0, -1.34389996528625, 4.0, 1.01999998092651, 19.0, -3.10899996757507
-InChI%3D1S%2FC18H21NO%2Fc20-18%2815-9-3-1-4-10-15%2C16-11-5-2-6-12-16%2917-13-7-8-14-19-17%2Fh1-6%2C9-12%2C17%2C19-20H%2C7-8%2C13-14H2, 25.0125007629395, 1.0, 0.0, 4.27827835083008, , 6.0, 2.0, 22.0, 12.0, 2.0, 12.0, -2.06839990615845, 3.0, 3.22000002861023, 41.0, 5.86299991607666
-InChI%3D1S%2FC18H26O2%2Fc1-18-9-8-14-13-5-3-12%2819%2910-11%2813%292-4-15%2814%2916%2818%296-7-17%2818%2920%2Fh10%2C13-17%2C20H%2C2-9H2%2C1H3%2Ft13%3F%2C14-%2C15%3F%2C16%2B%2C17%2B%2C18%3F%2Fm1%2Fs1, 76.2046966552734, 0.0, 0.0, 0.0152769600972533, , 4.0, 1.0, 23.0, 0.0, 0.0, 0.0, -0.123599998652935, 0.0, 3.22000002861023, 46.0, 3.22300004959106
-InChI%3D1S%2FC11H12Cl2N2O5%2Fc12-10%2813%2911%2818%2914-8%285-16%299%2817%296-1-3-7%284-2-6%2915%2819%2920%2Fh1-4%2C8-10%2C16-17H%2C5H2%2C%28H%2C14%2C18%29%2Ft8-%2C9-%2Fm1%2Fs1, 43.3061981201172, 0.0, 3.0, 0.00203400989994407, , 9.0, 3.0, 20.0, 6.0, 11.0, 6.0, -0.045099999755621, 6.0, 1.67999994754791, 32.0, 1.66299998760223
-InChI%3D1S%2FC17H20N2O2S%2Fc1-2-21-17%2820%2915-13-8-9-19%2811-14%2813%2922-16%2815%2918%2910-12-6-4-3-5-7-12%2Fh3-7H%2C2%2C8-11%2C18H2%2C1H3, 49.7841987609863, 0.0, 2.0, 0.164754807949066, , 9.0, 1.0, 24.0, 11.0, 5.0, 11.0, 0.405900001525879, 5.0, 2.77999997138977, 42.0, 3.78600001335144
-InChI%3D1S%2FC15H11ClN2O2%2Fc16-10-6-7-12-11%288-10%2913%289-4-2-1-3-5-9%2918-15%2820%2914%2819%2917-12%2Fh1-8%2C15%2C20H%2C%28H%2C17%2C19%29, 26.4554996490479, 0.0, 0.0, 0.054943360388279, , 17.0, 2.0, 22.0, 12.0, 0.0, 12.0, 0.234400004148483, 1.0, 2.55999994277954, 31.0, 4.36499977111816
-InChI%3D1S%2FC12H18Cl2N2O%2Fc1-12%282%2C3%2916-6-10%2817%297-4-8%2813%2911%2815%299%2814%295-7%2Fh4-5%2C10%2C16-17H%2C6%2C15H2%2C1-3H3, 48.9285011291504, 0.0, 2.0, 0.727267861366272, , 7.0, 3.0, 17.0, 6.0, 8.0, 6.0, 0.852800011634827, 4.0, 2.23000001907349, 35.0, 1.88900005817413
-InChI%3D1S%2FC19H28O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh3%2C13-16%2C20H%2C4-11H2%2C1-2H3%2Ft13-%2C14%3F%2C15-%2C16-%2C18%3F%2C19%3F%2Fm0%2Fs1, 82.4268035888672, 0.0, 0.0, 0.0306250005960464, , 2.0, 1.0, 24.0, 0.0, 0.0, 0.0, 0.174999997019768, 0.0, 3.32999992370605, 49.0, 3.03500008583069
-InChI%3D1S%2FC10H12N4O3%2Fc15-3-6-1-2-7%2817-6%2914-5-13-8-9%2814%2911-4-12-10%288%2916%2Fh4-7%2C15H%2C1-3H2%2C%28H%2C11%2C12%2C16%29%2Ft6-%2C7%2B%2Fm0%2Fs1, 26.7570991516113, 0.0, 0.0, 2.38424491882324, , 9.0, 3.0, 19.0, 10.0, 2.0, 6.0, -1.54410004615784, 2.0, 1.78999996185303, 29.0, -0.540000021457672
-InChI%3D1S%2FC12H12N2O3%2Fc1-3-14-6-9%2812%2816%2917%2910%2815%298-5-4-7%282%2913-11%288%2914%2Fh4-6H%2C3H2%2C1-2H3%2C%28H%2C16%2C17%29, 39.5200996398926, 0.0, 2.0, 0.0284596905112267, , 9.0, 1.0, 18.0, 6.0, 2.0, 6.0, 0.168699994683266, 2.0, 2.23000001907349, 31.0, 1.13199996948242
-InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2%2Ft3-%2C4%2B%2C5%2B%2C6-, 50.472599029541, 0.0, 6.0, 0.0585639998316765, , 0.0, 4.0, 11.0, 0.0, 12.0, 0.0, -0.241999998688698, 5.0, 1.46000003814697, 24.0, -0.272000014781952
-InChI%3D1S%2FC5H9NO4%2Fc6-3%285%289%2910%291-2-4%287%298%2Fh3H%2C1-2%2C6H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29%2Ft3-%2Fm0%2Fs1, 29.444299697876, 0.0, 5.0, 2.68894410133362, , 3.0, 3.0, 9.0, 0.0, 10.0, 0.0, -1.63979995250702, 4.0, 1.46000003814697, 19.0, -3.34899997711182
-InChI%3D1S%2FC20H31NO3%2Fc1-3-21%284-2%2914-15-23-16-17-24-19%2822%2920%2812-8-9-13-20%2918-10-6-5-7-11-18%2Fh5-7%2C10-11H%2C3-4%2C8-9%2C12-17H2%2C1-2H3, 67.813102722168, 2.0, 2.0, 0.0907214432954788, , 6.0, 0.0, 25.0, 6.0, 13.0, 6.0, -0.30120000243187, 11.0, 3.22000002861023, 55.0, 5.2020001411438
-InChI%3D1S%2FC8H8O3%2Fc9-7%288%2810%2911%296-4-2-1-3-5-6%2Fh1-5%2C7%2C9H%2C%28H%2C10%2C11%29, 13.1066999435425, 0.0, 2.0, 0.734791815280914, , 6.0, 2.0, 11.0, 6.0, 5.0, 6.0, -0.857200026512146, 2.0, 2.00999999046326, 19.0, 1.89400005340576
-InChI%3D1S%2FC19H20N8O5%2Fc20-15-14-16%2827-19%2821%2926-15%2923-8-11%2824-14%297-22-10-3-1-9%282-4-10%2917%2830%2925-12%2818%2831%2932%295-6-13%2828%2929%2Fh1-4%2C8%2C12%2C22H%2C5-7H2%2C%28H%2C25%2C30%29%28H%2C28%2C29%29%28H%2C31%2C32%29%28H4%2C20%2C21%2C23%2C26%2C27%29, 59.2751998901367, 2.0, 5.0, 9.1246280670166, , 10.0, 8.0, 34.0, 12.0, 12.0, 12.0, -3.02069997787476, 10.0, 2.11999988555908, 54.0, -2.15400004386902
-InChI%3D1S%2FC9H12N4O3%2Fc1-11-7-6%288%2815%2912%282%299%2811%2916%2913%283-4-14%295-10-7%2Fh5%2C14H%2C3-4H2%2C1-2H3, 41.1645011901855, 0.0, 2.0, 0.941870272159576, , 6.0, 2.0, 17.0, 5.0, 3.0, 0.0, -0.970499992370605, 2.0, 1.67999994754791, 28.0, -1.33399999141693
-InChI%3D1S%2FC13H18ClNO%2Fc1-9%2815-13%282%2C3%294%2912%2816%2910-6-5-7-11%2814%298-10%2Fh5-9%2C15H%2C1-4H3, 42.9836006164551, 0.0, 3.0, 0.975946426391602, , 8.0, 1.0, 16.0, 6.0, 9.0, 6.0, 0.987900018692017, 4.0, 2.55999994277954, 34.0, 3.50600004196167
-InChI%3D1S%2FC10H15NO2%2Fc1-2-11-7-10%2813%298-4-3-5-9%2812%296-8%2Fh3-6%2C10-13H%2C2%2C7H2%2C1H3, 26.5298004150391, 0.0, 2.0, 1.05493438243866, , 7.0, 3.0, 13.0, 6.0, 6.0, 6.0, -1.02709996700287, 4.0, 2.23000001907349, 28.0, 0.887000024318695
-InChI%3D1S%2FC17H17NO2%2Fc1-18-8-7-10-3-2-4-12-15%2810%2913%2818%299-11-5-6-14%2819%2917%2820%2916%2811%2912%2Fh2-6%2C13%2C19-20H%2C7-9H2%2C1H3, 31.1511993408203, 0.0, 0.0, 0.276570796966553, , 14.0, 2.0, 23.0, 12.0, 0.0, 12.0, -0.52590000629425, 0.0, 3.0, 37.0, 3.1489999294281
-InChI%3D1S%2FC15H17FN4O3%2Fc1-2-19-8-10%2815%2822%2923%2912%2821%299-7-11%2816%2914%2818-13%289%2919%2920-5-3-17-4-6-20%2Fh7-8%2C17H%2C2-6H2%2C1H3%2C%28H%2C22%2C23%29, 59.706901550293, 0.0, 2.0, 0.0230736099183559, , 10.0, 2.0, 25.0, 6.0, 2.0, 6.0, -0.151899993419647, 3.0, 2.23000001907349, 42.0, 0.0970000028610229
-InChI%3D1S%2FC10H16N2O3S%2Fc13-8%2814%294-2-1-3-7-9-6%285-16-7%2911-10%2815%2912-9%2Fh6-7%2C9H%2C1-5H2%2C%28H%2C13%2C14%29%28H2%2C11%2C12%2C15%29%2Ft6-%2C7-%2C9%3F%2Fm0%2Fs1, 54.086799621582, 0.0, 5.0, 0.647381186485291, , 4.0, 3.0, 17.0, 0.0, 7.0, 0.0, -0.80460000038147, 5.0, 1.89999997615814, 32.0, 1.20899999141693
-InChI%3D1S%2FC19H24N2OS%2Fc1-14%2812-20%282%293%2913-21-16-7-5-6-8-18%2816%2923-19-10-9-15%2822-4%2911-17%2819%2921%2Fh5-11%2C14H%2C12-13H2%2C1-4H3, 50.2583999633789, 0.0, 3.0, 0.858216941356659, , 14.0, 0.0, 25.0, 12.0, 7.0, 12.0, 0.926400005817413, 5.0, 3.10999989509583, 47.0, 4.21400022506714
-InChI%3D1S%2FC10H14ClN%2Fc1-10%282%2C12%297-8-3-5-9%2811%296-4-8%2Fh3-6H%2C7%2C12H2%2C1-2H3, 28.3603000640869, 0.0, 3.0, 0.827554106712341, , 6.0, 1.0, 12.0, 6.0, 5.0, 6.0, 0.909699976444244, 2.0, 2.33999991416931, 26.0, 3.03999996185303
-InChI%3D1S%2FC16H12FN3O3%2Fc1-19-14-7-6-10%2820%2822%2923%298-12%2814%2916%2818-9-15%2819%2921%2911-4-2-3-5-13%2811%2917%2Fh2-8H%2C9H2%2C1H3, 28.0615997314453, 0.0, 0.0, 0.165486246347427, , 20.0, 0.0, 25.0, 12.0, 2.0, 12.0, -0.406800001859665, 2.0, 2.45000004768372, 35.0, 3.1800000667572
-InChI%3D1S%2FC20H20N2O2%2Fc1-15%282%2913-14-18-19%2823%2921%2816-9-5-3-6-10-16%2922%2820%2818%2924%2917-11-7-4-8-12-17%2Fh3-13%2C18H%2C14H2%2C1-2H3, 43.4726982116699, 1.0, 4.0, 0.0417384915053844, , 18.0, 0.0, 26.0, 12.0, 5.0, 12.0, 0.204300001263618, 4.0, 3.22000002861023, 44.0, 5.31500005722046
-InChI%3D1S%2FC18H34O2.C2H7NO%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%3B3-1-2-4%2Fh9-10H%2C2-8%2C11-17H2%2C1H3%2C%28H%2C19%2C20%29%3B4H%2C1-3H2%2Fb10-9-%3B, 85.1280975341797, 2.0, 18.0, 12.4587821960449, , 3.0, 3.0, 22.0, 0.0, 20.0, 0.0, -3.52970004081726, 16.0, 3.22000002861023, 65.0, 6.91699981689453
-InChI%3D1S%2FC4H6O4S2%2Fc5-3%286%291%289%292%2810%294%287%298%2Fh1-2%2C9-10H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29, 38.467399597168, 0.0, 4.0, 0.0520752407610416, , 3.0, 2.0, 9.0, 0.0, 10.0, 0.0, 0.228200003504753, 3.0, 1.24000000953674, 16.0, -0.342000007629395
-InChI%3D1S%2FC21H41N7O12%2Fc1-5-21%2836%2C4-30%2916%2840-17-9%2826-2%2913%2834%2910%2831%296%283-29%2938-17%2918%2837-5%2939-15-8%2828-20%2824%2925%2911%2832%297%2827-19%2822%2923%2912%2833%2914%2815%2935%2Fh5-18%2C26%2C29-36H%2C3-4H2%2C1-2H3%2C%28H4%2C22%2C23%2C27%29%28H4%2C24%2C25%2C28%29%2Ft5-%2C6%3F%2C7%2B%2C8%3F%2C9-%2C10-%2C11%2B%2C12-%2C13-%2C14%2B%2C15%2B%2C16-%2C17%3F%2C18%3F%2C21%2B%2Fm0%2Fs1, 123.145202636719, 3.0, 0.0, 37.2917861938477, , 4.0, 15.0, 42.0, 0.0, 4.0, 0.0, -6.10669994354248, 11.0, 1.67999994754791, 81.0, -3.77500009536743
-InChI%3D1S%2FC5H11Cl2N%2Fc1-8%284-2-6%295-3-7%2Fh2-5H2%2C1H3, 38.6747016906738, 0.0, 2.0, 2.72415018081665, , 0.0, 0.0, 7.0, 0.0, 8.0, 0.0, 1.65050005912781, 4.0, 1.67999994754791, 19.0, 1.59300005435944
-InChI%3D1S%2FC11H14N2O4%2Fc12-10%2814%2916-6-9%287-17-11%2813%2915%298-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2%2C%28H2%2C12%2C14%29%28H2%2C13%2C15%29, 31.8826007843018, 0.0, 3.0, 0.42968025803566, , 6.0, 4.0, 17.0, 6.0, 11.0, 6.0, 0.655499994754791, 7.0, 2.00999999046326, 31.0, 4.34600019454956
-InChI%3D1S%2FC35H60N2O4.2BrH%2Fc1-24%2838%2940-32-21-26-13-14-27-28%2835%2826%2C4%2923-31%2832%2937%286%2919-11-8-12-20-37%2915-16-34%283%2929%2827%2922-30%2833%2834%2941-25%282%2939%2936%285%2917-9-7-10-18-36%3B%3B%2Fh26-33H%2C7-23H2%2C1-6H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Ft26-%2C27%3F%2C28-%2C29-%2C30-%2C31-%2C32%3F%2C33-%2C34%3F%2C35%3F%3B%3B%2Fm0..%2Fs1, , 1.0, 2.0, , , 3.0, 0.0, 46.0, 0.0, 4.0, 0.0, , 6.0, 4.42999982833862, 103.0, 8.28600025177002
-InChI%3D1S%2FC4H4N2OS%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29, 11.256199836731, 0.0, 0.0, 0.00257048988714814, , 7.0, 1.0, 8.0, 6.0, 0.0, 6.0, 0.0507000014185905, 0.0, 1.46000003814697, 12.0, 0.428999990224838
-InChI%3D1S%2FC11H16ClN3O4S2%2Fc1-6%282%293-11-14-8-4-7%2812%299%2820%2813%2C16%2917%295-10%288%2921%2818%2C19%2915-11%2Fh4-6%2C11%2C14-15H%2C3H2%2C1-2H3%2C%28H2%2C13%2C16%2C17%29, 51.5556983947754, 0.0, 3.0, 1.28142404556274, , 15.0, 3.0, 22.0, 6.0, 4.0, 6.0, -1.13199996948242, 3.0, 1.57000005245209, 37.0, 0.632000029087067
-InChI%3D1S%2FC40H56%2Fc1-31%2819-13-21-33%283%2925-27-37-35%285%2923-15-29-39%2837%2C7%298%2917-11-12-18-32%282%2920-14-22-34%284%2926-28-38-36%286%2924-16-30-40%2838%2C9%2910%2Fh11-14%2C17-22%2C25-28H%2C15-16%2C23-24%2C29-30H2%2C1-10H3%2Fb12-11%2B%2C19-13%2B%2C20-14%2B%2C27-25%2B%2C28-26%2B%2C31-17-%2C32-18%2B%2C33-21%2B%2C34-22%2B, 189.290603637695, 1.0, 18.0, 79.834228515625, , 22.0, 0.0, 41.0, 0.0, 22.0, 0.0, 8.9350004196167, 10.0, 5.8600001335144, 96.0, 14.7340002059937
-InChI%3D1S%2FC11H9I3N2O4%2Fc1-3%2817%2916-9-7%2813%294%2810%2818%2915-2%296%2812%295%288%289%2914%2911%2819%2920%2Fh1-2H3%2C%28H%2C15%2C18%29%28H%2C16%2C17%29%28H%2C19%2C20%29, 76.8516006469727, 0.0, 0.0, 13.2001419067383, , 15.0, 3.0, 20.0, 6.0, 4.0, 6.0, 3.63319993019104, 3.0, 1.67999994754791, 29.0, 3.37899994850159
-InChI%3D1S%2FC18H21NO4%2Fc1-19-8-7-17-14-10-3-4-12%2822-2%2915%2814%2923-16%2817%2911%2820%295-6-18%2817%2C21%2913%2819%299-10%2Fh3-4%2C13%2C16%2C21H%2C5-9H2%2C1-2H3%2Ft13-%2C16%2B%2C17%2B%2C18-%2Fm1%2Fs1, 60.1147994995117, 0.0, 0.0, 1.11661493778229, , 8.0, 1.0, 27.0, 6.0, 2.0, 6.0, -1.0566999912262, 1.0, 2.89000010490417, 44.0, 0.515999972820282
-InChI%3D1S%2FC21H30NO4.BrH%2Fc1-3-4-10-22%282%2917-11-15%2812-18%2822%2920-19%2817%2926-20%2925-21%2824%2916%2813-23%2914-8-6-5-7-9-14%3B%2Fh5-9%2C15-20%2C23H%2C3-4%2C10-13H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft15-%2C16-%2C17-%2C18%3F%2C19%3F%2C20%2B%2C22%3F%3B%2Fm1.%2Fs1, , 0.0, 4.0, , , 6.0, 1.0, 29.0, 6.0, 6.0, 6.0, , 8.0, 3.10999989509583, 57.0, 4.50500011444092
-InChI%3D1S%2FC12H14N2O2%2Fc1-2-12%289-6-4-3-5-7-9%2910%2815%2913-8-14-11%2812%2916%2Fh3-7H%2C2%2C8H2%2C1H3%2C%28H%2C13%2C15%29%28H%2C14%2C16%29, 32.5567016601562, 0.0, 2.0, 1.57904350757599, , 6.0, 2.0, 17.0, 6.0, 2.0, 6.0, -1.25660002231598, 2.0, 2.33999991416931, 30.0, 3.51799988746643
-InChI%3D1S%2FC20H25NO2%2Fc1-3-21%284-2%2915-16-23-20%2822%2919%2817-11-7-5-8-12-17%2918-13-9-6-10-14-18%2Fh5-14%2C19H%2C3-4%2C15-16H2%2C1-2H3, 42.2167015075684, 1.0, 2.0, 0.256036013364792, , 6.0, 0.0, 24.0, 12.0, 11.0, 12.0, 0.505999982357025, 9.0, 3.32999992370605, 48.0, 7.30000019073486
-InChI%3D1S%2FC30H50O%2Fc1-8-22%2819%282%293%2910-9-20%284%2924-13-14-26-23-11-12-25-21%285%2928%2831%2916-18-30%2825%2C7%2927%2823%2915-17-29%2824%2C26%296%2Fh8%2C11%2C19-21%2C24-28%2C31H%2C9-10%2C12-18H2%2C1-7H3%2Ft20-%2C21%3F%2C24-%2C25%3F%2C26%2B%2C27%2B%2C28%2B%2C29%3F%2C30%2B%2Fm1%2Fs1, 132.361206054688, 1.0, 7.0, 6.30461883544922, , 2.0, 1.0, 34.0, 0.0, 10.0, 0.0, 2.51090002059937, 5.0, 4.65000009536743, 81.0, 11.1160001754761
-InChI%3D1S%2FC6H6Cl2N2O4S2%2Fc7-4-1-3%2815%289%2C11%2912%292-5%286%284%298%2916%2810%2C13%2914%2Fh1-2H%2C%28H2%2C9%2C11%2C12%29%28H2%2C10%2C13%2C14%29, 33.5144004821777, 0.0, 0.0, 0.147763356566429, , 14.0, 2.0, 16.0, 6.0, 3.0, 6.0, -0.384400010108948, 2.0, 1.01999998092651, 22.0, -0.843999981880188
-InChI%3D1S%2FC18H19F3N2S%2Fc1-22%282%2910-5-11-23-14-6-3-4-7-16%2814%2924-17-9-8-13%2812-15%2817%2923%2918%2819%2C20%2921%2Fh3-4%2C6-9%2C12H%2C5%2C10-11H2%2C1-2H3, 43.7535018920898, 1.0, 3.0, 2.73869395256042, , 13.0, 0.0, 26.0, 12.0, 6.0, 12.0, 1.65489995479584, 5.0, 2.77999997138977, 43.0, 5.47499990463257
-InChI%3D1S%2FC18H22N2O2S%2Fc1-14%2812-19%282%293%2913-20-15-8-4-6-10-17%2815%2923%2821%2C22%2918-11-7-5-9-16%2818%2920%2Fh4-11%2C14H%2C12-13H2%2C1-3H3, 43.790699005127, 0.0, 3.0, 0.00141376000829041, , 16.0, 0.0, 25.0, 12.0, 7.0, 12.0, -0.0375999994575977, 4.0, 2.89000010490417, 45.0, 3.43700003623962
-InChI%3D1S%2FC20H34O5%2Fc1-2-3-6-9-15%2821%2912-13-17-16%2818%2822%2914-19%2817%2923%2910-7-4-5-8-11-20%2824%2925%2Fh4%2C7%2C12-13%2C15-19%2C21-23H%2C2-3%2C5-6%2C8-11%2C14H2%2C1H3%2C%28H%2C24%2C25%29%2Fb7-4-%2C13-12%2B%2Ft15-%2C16%2B%2C17%3F%2C18-%2C19%3F%2Fm0%2Fs1, 88.5842971801758, 1.0, 8.0, 7.68620157241821, , 3.0, 4.0, 25.0, 0.0, 9.0, 0.0, -2.77239990234375, 12.0, 3.10999989509583, 59.0, 3.20300006866455
-InChI%3D1S%2FC20H28O2%2Fc1-18-9-6-14%2821%2912-13%2818%294-5-15-16%2818%297-10-19%282%2917%2815%298-11-20%2819%2C3%2922%2Fh6%2C9%2C12%2C15-17%2C22H%2C4-5%2C7-8%2C10-11H2%2C1-3H3%2Ft15%3F%2C16-%2C17-%2C18%3F%2C19%3F%2C20-%2Fm0%2Fs1, 88.9448013305664, 0.0, 0.0, 1.62307596206665, , 6.0, 1.0, 25.0, 0.0, 0.0, 0.0, 1.27400004863739, 0.0, 3.44000005722046, 50.0, 4.51999998092651
-InChI%3D1S%2FC22H30O4%2Fc1-20-9-5-15%2823%2913-14%2820%293-4-16-17%2820%296-10-21%282%2918%2816%297-11-22%2821%2C26%2912-8-19%2824%2925%2Fh3-4%2C13%2C16-18%2C26H%2C5-12H2%2C1-2H3%2C%28H%2C24%2C25%29%2Ft16%3F%2C17-%2C18-%2C20-%2C21-%2C22%2B%2Fm0%2Fs1, 100.375198364258, 0.0, 3.0, 1.08743178844452, , 6.0, 2.0, 29.0, 0.0, 5.0, 0.0, 1.042799949646, 3.0, 3.44000005722046, 56.0, 3.40899991989136
-InChI%3D1S%2FC15H13NO2S%2Fc1-16-11-4-2-3-5-13%2811%2919-14-7-6-10%288-12%2814%2916%299-15%2817%2918%2Fh2-8H%2C9H2%2C1H3%2C%28H%2C17%2C18%29, 28.1567001342773, 0.0, 2.0, 0.251101195812225, , 13.0, 1.0, 21.0, 12.0, 4.0, 12.0, 0.50110000371933, 2.0, 2.67000007629395, 32.0, 3.37899994850159
-InChI%3D1S%2FC14H11ClN2O4S%2Fc15-11-6-5-8%287-12%2811%2922%2816%2C20%2921%2914%2819%2910-4-2-1-3-9%2810%2913%2818%2917-14%2Fh1-7%2C19H%2C%28H%2C17%2C18%29%28H2%2C16%2C20%2C21%29, 30.0988006591797, 0.0, 0.0, 0.509938836097717, , 10.0, 3.0, 24.0, 12.0, 3.0, 12.0, -0.714100003242493, 2.0, 2.11999988555908, 33.0, 1.81500005722046
-InChI%3D1S%2FC17H13ClN4%2Fc1-11-20-21-16-10-19-17%2812-5-3-2-4-6-12%2914-9-13%2818%297-8-15%2814%2922%2811%2916%2Fh2-9H%2C10H2%2C1H3, 25.5408000946045, 1.0, 0.0, 0.240688353776932, , 19.0, 1.0, 25.0, 17.0, 0.0, 17.0, 0.490599989891052, 1.0, 2.77999997138977, 35.0, 5.44399976730347
-InChI%3D1S%2FC21H23ClFN3O%2Fc1-3-25%284-2%2911-12-26-19-10-9-15%2822%2913-17%2819%2921%2824-14-20%2826%2927%2916-7-5-6-8-18%2816%2923%2Fh5-10%2C13H%2C3-4%2C11-12%2C14H2%2C1-2H3, 57.3981018066406, 0.0, 2.0, 1.0477569103241, , 17.0, 0.0, 29.0, 12.0, 7.0, 12.0, 1.02359998226166, 6.0, 3.10999989509583, 50.0, 4.08799982070923
-InChI%3D1S%2FC10H16N6S%2Fc1-8-9%2816-7-15-8%295-17-4-3-13-10%2812-2%2914-6-11%2Fh7H%2C3-5H2%2C1-2H3%2C%28H%2C15%2C16%29%28H2%2C12%2C13%2C14%29, 50.934398651123, 0.0, 2.0, 0.246313691139221, , 6.0, 4.0, 17.0, 5.0, 11.0, 0.0, 0.496300011873245, 7.0, 1.78999996185303, 32.0, 1.37899994850159
-InChI%3D1S%2FC18H20O2%2Fc1-3-17%2813-5-9-15%2819%2910-6-13%2918%284-2%2914-7-11-16%2820%2912-8-14%2Fh5-12%2C19-20H%2C3-4H2%2C1-2H3, 33.7085990905762, 1.0, 6.0, 0.0529920384287834, , 16.0, 2.0, 21.0, 12.0, 6.0, 12.0, -0.230199992656708, 4.0, 3.22000002861023, 40.0, 5.66200017929077
-InChI%3D1S%2FC13H13N3O6S%2Fc1-6%2817%2922-4-7-5-23-12-9%2815-8%2818%292-3-14%2911%2819%2916%2812%2910%287%2913%2820%2921%2Fh9%2C12H%2C2%2C4-5H2%2C1H3%2C%28H%2C15%2C18%29%28H%2C20%2C21%29%2Ft9-%2C12-%2Fm1%2Fs1, 77.7454986572266, 0.0, 3.0, 0.306472957134247, , 8.0, 2.0, 24.0, 0.0, 6.0, 0.0, -0.553600013256073, 6.0, 1.78999996185303, 36.0, -1.73099994659424
-InChI%3D1S%2FC21H27N5O9S2%2Fc1-9%282%2933-21%2830%2935-10%283%2934-19%2829%2915-11%286-31-4%297-36-18-14%2817%2828%2926%2815%2918%2924-16%2827%2913%2825-32-5%2912-8-37-20%2822%2923-12%2Fh8-10%2C14%2C18H%2C6-7H2%2C1-5H3%2C%28H2%2C22%2C23%29%28H%2C24%2C27%29%2Fb25-13%2B%2Ft10%3F%2C14-%2C18-%2Fm1%2Fs1, 131.410995483398, 2.0, 2.0, 0.75637811422348, , 8.0, 3.0, 39.0, 0.0, 12.0, 0.0, 0.869700014591217, 13.0, 2.00999999046326, 66.0, 1.84399998188019
-InChI%3D1S%2FC25H32O8.Na%2Fc1-23-9-7-15%2826%2911-14%2823%293-4-16-17-8-10-25%2832%2C24%2817%2C2%2912-18%2827%2922%2816%2923%2919%2828%2913-33-21%2831%296-5-20%2829%2930%3B%2Fh7%2C9%2C11%2C16-18%2C22%2C27%2C32H%2C3-6%2C8%2C10%2C12-13H2%2C1-2H3%2C%28H%2C29%2C30%29%3B%2Fq%3B%2B1%2Fp-1%2Ft16%3F%2C17-%2C18-%2C22%2B%2C23-%2C24-%2C25-%3B%2Fm0.%2Fs1, , 0.0, 4.0, , , 6.0, 2.0, 36.0, 0.0, 11.0, 0.0, , 7.0, 3.22000002861023, 65.0, 0.221000000834465
-InChI%3D1S%2FC27H44O3%2Fc1-18%288-6-14-26%283%2C4%2930%2923-12-13-24-20%289-7-15-27%2823%2C24%295%2910-11-21-16-22%2828%2917-25%2829%2919%2821%292%2Fh10-11%2C18%2C22-25%2C28-30H%2C2%2C6-9%2C12-17H2%2C1%2C3-5H3%2Fb20-10%2B%2C21-11%2B%2Ft18-%2C22-%2C23-%2C24%2B%2C25%2B%2C27%3F%2Fm1%2Fs1, 120.530403137207, 1.0, 7.0, 0.5695720911026, , 6.0, 3.0, 32.0, 0.0, 9.0, 0.0, 0.754700005054474, 6.0, 4.09999990463257, 74.0, 6.74499988555908
-InChI%3D1S%2FC18H36N4O11%2Fc19-4-1-5%2820%2916%2833-18-13%2828%298%2821%2910%2825%296%282-23%2931-18%2914%2829%2915%284%2932-17-9%2822%2912%2827%2911%2826%297%283-24%2930-17%2Fh4-18%2C23-29H%2C1-3%2C19-22H2%2Ft4-%2C5%2B%2C6%3F%2C7%2B%2C8-%2C9%3F%2C10%2B%2C11%2B%2C12%2B%2C13%2B%2C14-%2C15%3F%2C16%3F%2C17%2B%2C18%3F%2Fm0%2Fs1, 104.180702209473, 2.0, 0.0, 56.1555404663086, , 0.0, 11.0, 35.0, 0.0, 2.0, 0.0, -7.49370002746582, 6.0, 1.78999996185303, 69.0, -5.48600006103516
-InChI%3D1S%2FC18H27NO2%2Fc1-3-19%284-2%2914-15-21-17%2820%2918%2812-8-9-13-18%2916-10-6-5-7-11-16%2Fh5-7%2C10-11H%2C3-4%2C8-9%2C12-15H2%2C1-2H3, 56.7695999145508, 1.0, 2.0, 0.0290020909160376, , 6.0, 0.0, 22.0, 6.0, 10.0, 6.0, -0.170300006866455, 8.0, 3.10999989509583, 48.0, 5.39200019836426
-InChI%3D1S%2FC6H9N3O2%2Fc7-5%286%2810%2911%291-4-2-8-3-9-4%2Fh2-3%2C5H%2C1%2C7H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%2Ft5-%2Fm0%2Fs1, 19.2159996032715, 0.0, 3.0, 0.794237434864044, , 3.0, 4.0, 11.0, 5.0, 6.0, 0.0, -0.891200006008148, 3.0, 1.57000005245209, 19.0, -3.0220000743866
-InChI%3D1S%2FC2H5NO2%2Fc1-2%284%293-5%2Fh5H%2C1H3%2C%28H%2C3%2C4%29, 16.1786003112793, 0.0, 0.0, 0.0353440009057522, , 4.0, 2.0, 4.0, 0.0, 5.0, 0.0, -0.187999993562698, 0.0, 1.35000002384186, 10.0, 0.163000002503395
-InChI%3D1S%2FC11H15Cl2N5%2Fc1-6%282%2916-10%2814%2918-11%2815%2917-7-3-4-8%2812%299%2813%295-7%2Fh3-6H%2C1-2H3%2C%28H5%2C14%2C15%2C16%2C17%2C18%29, 46.3259010314941, 0.0, 3.0, 1.23899161815643, , 13.0, 5.0, 18.0, 6.0, 10.0, 6.0, 1.11310005187988, 6.0, 1.89999997615814, 33.0, 3.86500000953674
-InChI%3D1S%2FC21H26O3%2Fc1-14%288-7-9-15%282%2912-21%2822%2923%2910-11-19-16%283%2913-20%2824-6%2918%285%2917%2819%294%2Fh7-13H%2C1-6H3%2C%28H%2C22%2C23%29, 80.8047027587891, 1.0, 9.0, 18.4186897277832, , 18.0, 1.0, 24.0, 6.0, 13.0, 6.0, 4.29169988632202, 6.0, 3.44000005722046, 50.0, 6.02899980545044
-InChI%3D1S%2FC6H13NO2%2Fc1-4%282%293-5%287%296%288%299%2Fh4-5H%2C3%2C7H2%2C1-2H3%2C%28H%2C8%2C9%29%2Ft5-%2Fm0%2Fs1, 33.4837989807129, 0.0, 5.0, 0.101314887404442, , 3.0, 2.0, 8.0, 0.0, 9.0, 0.0, -0.318300008773804, 3.0, 1.78999996185303, 22.0, -1.38900005817413
-InChI%3D1S%2FC18H23NO3%2Fc1-13%282-3-14-4-7-16%2820%298-5-14%2919-11-10-15-6-9-17%2821%2918%2822%2912-15%2Fh4-9%2C12-13%2C19-22H%2C2-3%2C10-11H2%2C1H3, 37.2313995361328, 0.0, 4.0, 3.09337735176086, , 8.0, 4.0, 23.0, 12.0, 7.0, 12.0, -1.75880002975464, 7.0, 3.0, 45.0, 3.65899991989136
-InChI%3D1S%2FC15H24N2O4S%2Fc1-5-17%286-2%2910-9-16-15%2818%2913-11-12%2822%284%2C19%2920%297-8-14%2813%2921-3%2Fh7-8%2C11H%2C5-6%2C9-10H2%2C1-4H3%2C%28H%2C16%2C18%29, 62.2471008300781, 0.0, 2.0, 0.00375769007951021, , 13.0, 1.0, 22.0, 6.0, 10.0, 6.0, 0.0612999983131886, 8.0, 2.33999991416931, 46.0, 1.64199995994568
-InChI%3D1S%2FC27H36N2O4%2Fc1-4-33-25-17-20%2812-13-22%2825%2927%2831%2932%2918-26%2830%2928-23%2816-19%282%293%2921-10-6-7-11-24%2821%2929-14-8-5-9-15-29%2Fh6-7%2C10-13%2C17%2C19%2C23H%2C4-5%2C8-9%2C14-16%2C18H2%2C1-3H3%2C%28H%2C28%2C30%29%28H%2C31%2C32%29, 74.9357986450195, 1.0, 4.0, 0.0623001605272293, , 10.0, 2.0, 35.0, 12.0, 9.0, 12.0, -0.249599993228912, 10.0, 3.76999998092651, 69.0, 6.57000017166138
-InChI%3D1S%2FC19H23N5O3%2Fc1-10-11%285-6-13-16%2810%2918%2820%2924-19%2821%2923-13%299-22-12-7-14%2825-2%2917%2827-4%2915%288-12%2926-3%2Fh5-8%2C22H%2C9H2%2C1-4H3%2C%28H4%2C20%2C21%2C23%2C24%29, 52.8600006103516, 0.0, 0.0, 0.127449005842209, , 12.0, 5.0, 29.0, 12.0, 2.0, 12.0, -0.35699999332428, 6.0, 2.67000007629395, 50.0, 3.21000003814697
-InChI%3D1S%2FC39H69NO14.C18H36O2%2Fc1-15-27-39%2811%2C47%2932%2843%2921%284%2929%2842%2919%282%2917-37%289%2C46%2934%2854-36-31%2851-25%288%2941%2926%2840%2812%2913%2916-20%283%2949-36%2922%285%2930%2823%286%2935%2845%2952-27%2953-28-18-38%2810%2C48-14%2933%2844%2924%287%2950-28%3B1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh19-24%2C26-28%2C30-34%2C36%2C43-44%2C46-47H%2C15-18H2%2C1-14H3%3B2-17H2%2C1H3%2C%28H%2C19%2C20%29%2Ft19-%2C20-%2C21%2B%2C22%2B%2C23-%2C24%2B%2C26%2B%2C27-%2C28%2B%2C30%2B%2C31%3F%2C32-%2C33%2B%2C34-%2C36%2B%2C37-%2C38-%2C39-%3B%2Fm1.%2Fs1, 251.973495483398, , 18.0, 42.9903144836426, , 3.0, 5.0, 75.0, 0.0, 20.0, 0.0, -6.55670022964478, 25.0, 5.8600001335144, 179.0, 
-InChI%3D1S%2FC15H20N2O2%2Fc18-14-16-12-15%2819-14%297-10-17%2811-8-15%299-6-13-4-2-1-3-5-13%2Fh1-5H%2C6-12H2%2C%28H%2C16%2C18%29, 43.9656982421875, 0.0, 2.0, 0.0904204919934273, , 6.0, 1.0, 21.0, 6.0, 2.0, 6.0, -0.300700008869171, 3.0, 2.67000007629395, 39.0, 4.16699981689453
-InChI%3D1S%2FC22H24N2O2%2Fc1-17-7-9-18%2810-8-17%2920%2813-16-24-14-2-3-15-24%2921-6-4-5-19%2823-21%2911-12-22%2825%2926%2Fh4-13H%2C2-3%2C14-16H2%2C1H3%2C%28H%2C25%2C26%29, 54.921199798584, 1.0, 3.0, 0.257556259632111, , 19.0, 1.0, 28.0, 12.0, 5.0, 12.0, 0.507499992847443, 6.0, 3.44000005722046, 50.0, 6.17399978637695
-InChI%3D1S%2FC9H7Cl2N5%2Fc10-5-3-1-2-4%286%285%2911%297-8%2812%2914-9%2813%2916-15-7%2Fh1-3H%2C%28H4%2C12%2C13%2C14%2C16%29, 36.5284004211426, 0.0, 0.0, 0.00481635984033346, , 6.0, 5.0, 17.0, 6.0, 0.0, 6.0, -0.0693999975919724, 1.0, 1.67999994754791, 27.0, 2.11199998855591
-InChI%3D1S%2FC22H28N2O%2Fc1-2-22%2825%2924%2820-11-7-4-8-12-20%2921-14-17-23%2818-15-21%2916-13-19-9-5-3-6-10-19%2Fh3-12%2C21H%2C2%2C13-18H2%2C1H3, 48.5969009399414, 1.0, 3.0, 0.75951224565506, , 9.0, 0.0, 27.0, 12.0, 5.0, 12.0, -0.871500015258789, 7.0, 3.54999995231628, 53.0, 6.73199987411499
-InChI%3D1S%2FC14H19N3O%2Fc1-3-17%284-2%2911-10-13-15-14%2816-18-13%2912-8-6-5-7-9-12%2Fh5-9H%2C3-4%2C10-11H2%2C1-2H3, 32.121898651123, 0.0, 2.0, 0.0830016136169434, , 6.0, 2.0, 19.0, 11.0, 7.0, 6.0, 0.288100004196167, 6.0, 2.55999994277954, 37.0, 4.28999996185303
-InChI%3D1S%2FC18H21N3O%2Fc1-19%282%2912-13-21-17-11-7-6-10-16%2817%2920%283%2915-9-5-4-8-14%2815%2918%2821%2922%2Fh4-11H%2C12-13H2%2C1-3H3, 39.7519989013672, 0.0, 2.0, 0.0774508863687515, , 16.0, 0.0, 24.0, 12.0, 5.0, 12.0, -0.278299987316132, 3.0, 3.0, 43.0, 3.49600005149841
-InChI%3D1S%2FC22H20O13%2Fc1-4-8-5%282-6%2824%299%284%2922%2833%2934%2913%2825%2910-11%2815%288%2927%2916%2828%2912%2818%2830%2917%2810%2929%2921-20%2832%2919%2831%2914%2826%297%283-23%2935-21%2Fh2%2C7%2C14%2C19-21%2C23-24%2C26%2C28-32H%2C3H2%2C1H3%2C%28H%2C33%2C34%29%2Ft7-%2C14%3F%2C19%2B%2C20-%2C21-%2Fm1%2Fs1, 67.2509994506836, 1.0, 0.0, 17.6593246459961, , 23.0, 9.0, 38.0, 12.0, 2.0, 12.0, -4.20230007171631, 3.0, 2.45000004768372, 55.0, -2.27900004386902
-InChI%3D1S%2FC37H40N2O6.2ClH%2Fc1-38-14-12-24-19-32%2842-4%2933-21-27%2824%2928%2838%2916-22-6-9-26%2810-7-22%2944-37-35-25%2820-34%2843-5%2936%2837%2941%2913-15-39%282%2C3%2929%2835%2917-23-8-11-30%2840%2931%2818-23%2945-33%3B%3B%2Fh6-11%2C18-21%2C28-29H%2C12-17H2%2C1-5H3%2C%28H-%2C40%2C41%29%3B2%2A1H%2Ft28-%2C29%2B%3B%3B%2Fm0..%2Fs1, 75.277099609375, 1.0, 0.0, 4.9800386428833, , 15.0, 1.0, 51.0, 24.0, 2.0, 24.0, -2.23160004615784, 2.0, 4.42999982833862, 89.0, 5.89300012588501
-InChI%3D1S%2FC15H14ClNO3%2Fc1-9-7-12%288-13%2818%2919%2917%282%2914%289%2915%2820%2910-3-5-11%2816%296-4-10%2Fh3-7H%2C8H2%2C1-2H3%2C%28H%2C18%2C19%29, 36.8269004821777, 0.0, 2.0, 1.06708896160126, , 13.0, 1.0, 21.0, 11.0, 4.0, 11.0, 1.03299999237061, 4.0, 2.55999994277954, 34.0, 2.88599991798401
-InChI%3D1S%2FC24H31FO6%2Fc1-12-7-16-15-9-18%2825%2917-8-14%2827%295-6-22%2817%2C3%2921%2815%2919%2828%2910-23%2816%2C4%2924%2812%2C30%2920%2829%2911-31-13%282%2926%2Fh5-6%2C8%2C12%2C15-16%2C18-19%2C21%2C28%2C30H%2C7%2C9-11H2%2C1-4H3%2Ft12-%2C15%3F%2C16%2B%2C18%2B%2C19%2B%2C21-%2C22%2B%2C23%2B%2C24%2B%2Fm1%2Fs1, 110.249198913574, 0.0, 2.0, 0.182414412498474, , 6.0, 2.0, 34.0, 0.0, 7.0, 0.0, -0.427100002765656, 4.0, 3.32999992370605, 62.0, 1.34700000286102
-InChI%3D1S%2FC14H18N2O3%2Fc1-5-7-8-10%283%2914%289-6-2%2911%2817%2915-13%2819%2916%284%2912%2814%2918%2Fh6%2C10H%2C2%2C5%2C9H2%2C1%2C3-4H3%2C%28H%2C15%2C17%2C19%29, 72.0988006591797, 0.0, 6.0, 1.20121598243713, , 8.0, 1.0, 19.0, 0.0, 6.0, 0.0, 1.09599995613098, 3.0, 2.45000004768372, 37.0, 2.11400008201599
-InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29, 22.619499206543, 0.0, 2.0, 0.931611061096191, , 3.0, 1.0, 5.0, 0.0, 6.0, 0.0, 0.965200006961823, 1.0, 1.24000000953674, 8.0, 0.570999979972839
-InChI%3D1S%2FC23H32O3%2Fc1-3-4-5-22%2825%2926-21-11-10-20-19-8-6-15-14-16%2824%297-9-17%2815%2918%2819%2912-13-23%2820%2C21%292%2Fh7%2C9%2C14%2C18-21%2C24H%2C3-6%2C8%2C10-13H2%2C1-2H3%2Ft18-%2C19%3F%2C20%2B%2C21%2B%2C23%2B%2Fm1%2Fs1, 72.5942993164062, 1.0, 5.0, 0.348808348178864, , 7.0, 1.0, 29.0, 6.0, 7.0, 6.0, -0.59060001373291, 5.0, 3.66000008583069, 58.0, 6.77699995040894
-InChI%3D1S%2FC26H37N5O2%2Fc1-5-11-30-17-19%2825%2832%2931%2826%2833%2927-6-2%2913-8-12-29%283%294%2914-21-20-9-7-10-22-24%2820%2918%2816-28-22%2915-23%2821%2930%2Fh5%2C7%2C9-10%2C16%2C19%2C21%2C23%2C28H%2C1%2C6%2C8%2C11-15%2C17H2%2C2-4H3%2C%28H%2C27%2C33%29%2Ft19-%2C21%3F%2C23-%2Fm1%2Fs1, 94.372802734375, 0.0, 3.0, 0.0630009993910789, , 7.0, 2.0, 36.0, 10.0, 14.0, 6.0, 0.250999987125397, 10.0, 3.54999995231628, 69.0, 2.87700009346008
-InChI%3D1S%2FC20H27N5O5S%2Fc1-15-14-18%2823-30-15%2919%2826%2921-11-10-16-6-8-17%289-7-16%2931%2828%2C29%2924-20%2827%2922-25-12-4-2-3-5-13-25%2Fh6-9%2C14H%2C2-5%2C10-13H2%2C1H3%2C%28H%2C21%2C26%29%28H2%2C22%2C24%2C27%29, 67.5449981689453, 0.0, 2.0, 2.8815062046051, , 14.0, 4.0, 33.0, 11.0, 7.0, 6.0, -1.69749999046326, 9.0, 2.45000004768372, 58.0, 3.50300002098083
-InChI%3D1S%2FC19H24O3%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15%2818%298-10-19%282%2916%2814%295-6-17%2821%2922-19%2Fh7%2C9%2C11%2C14-16H%2C3-6%2C8%2C10H2%2C1-2H3%2Ft14%3F%2C15-%2C16-%2C18%3F%2C19%3F%2Fm0%2Fs1, 83.4629974365234, 0.0, 0.0, 1.14832651615143, , 6.0, 0.0, 25.0, 0.0, 0.0, 0.0, 1.07159996032715, 0.0, 3.22000002861023, 46.0, 3.68300008773804
-InChI%3D1S%2FC43H55N5O7%2Fc1-6-39%2852%2921-25-22-42%2838%2851%2955-5%2C33-27%2813-17-47%2823-25%2924-39%2926-11-8-9-12-30%2826%2945-33%2929-19-28-31%2820-32%2829%2954-4%2946%283%2935-41%2828%2915-18-48-16-10-14-40%287-2%2C34%2841%2948%2936%2849%2943%2835%2C53%2937%2844%2950%2Fh8-12%2C14%2C19-20%2C25%2C27%2C34-36%2C49%2C52-53H%2C6-7%2C13%2C15-18%2C21-24H2%2C1-5H3%2C%28H2%2C44%2C50%29%2Ft25-%2C27%3F%2C34%2B%2C35-%2C36-%2C39%2B%2C40%3F%2C41-%2C42%2B%2C43%2B%2Fm1%2Fs1, 155.577606201172, 1.0, 0.0, 7.84448051452637, , 8.0, 5.0, 63.0, 12.0, 4.0, 12.0, -2.80080008506775, 7.0, 4.86999988555908, 110.0, 3.94700002670288
-InChI%3D1S%2FC14H17N3O9%2Fc1-6%2818%2923-5-9-11%2824-7%282%2919%2912%2825-8%283%2920%2913%2826-9%2917-14%2822%2916-10%2821%294-15-17%2Fh4%2C9%2C11-13H%2C5H2%2C1-3H3%2C%28H%2C16%2C21%2C22%29%2Ft9%3F%2C11-%2C12%3F%2C13-%2Fm1%2Fs1, 78.5476989746094, 1.0, 2.0, 3.13183808326721, , 5.0, 3.0, 27.0, 0.0, 5.0, 0.0, -1.769700050354, 8.0, 1.67999994754791, 47.0, -0.46000000834465
-InChI%3D1S%2FC17H23N3O%2Fc1-19%282%2912-13-20%2817-6-4-5-11-18-17%2914-15-7-9-16%2821-3%2910-8-15%2Fh4-11H%2C12-14H2%2C1-3H3, 38.6417999267578, 0.0, 2.0, 0.0457959994673729, , 7.0, 0.0, 22.0, 12.0, 7.0, 12.0, 0.214000001549721, 7.0, 2.89000010490417, 44.0, 3.18300008773804
-InChI%3D1S%2FC12H11I3N2O4%2Fc1-4%2818%2916-3-6-8%2813%297%2812%2820%2921%2910%2815%2911%289%286%2914%2917-5%282%2919%2Fh3H2%2C1-2H3%2C%28H%2C16%2C18%29%28H%2C17%2C19%29%28H%2C20%2C21%29, 81.3849029541016, 0.0, 2.0, 13.428560256958, , 12.0, 3.0, 21.0, 6.0, 5.0, 6.0, 3.66449999809265, 4.0, 1.78999996185303, 32.0, 3.375
-InChI%3D1S%2FC20H24N2OS%2Fc1-5-18%2823%2915-10-11-20-17%2812-15%2922%2813-14%282%2921%283%294%2916-8-6-7-9-19%2816%2924-20%2Fh6-12%2C14H%2C5%2C13H2%2C1-4H3, 54.7855987548828, 0.0, 3.0, 0.430860966444016, , 15.0, 0.0, 26.0, 12.0, 6.0, 12.0, 0.6564000248909, 5.0, 3.22000002861023, 48.0, 4.21799993515015
-InChI%3D1S%2FC16H23NO2%2Fc1-4-15%2818%2919-16%2814-8-6-5-7-9-14%2910-11-17%283%2912-13%2816%292%2Fh5-9%2C13H%2C4%2C10-12H2%2C1-3H3%2Ft13-%2C16%3F%2Fm1%2Fs1, 48.5085983276367, 0.0, 3.0, 0.0935136377811432, , 6.0, 0.0, 20.0, 6.0, 5.0, 6.0, -0.30579999089241, 4.0, 2.89000010490417, 42.0, 4.08900022506714
-InChI%3D1S%2FC22H23NO7%2Fc1-23-8-7-11-9-14-20%2829-10-28-14%2921%2827-4%2915%2811%2917%2823%2918-12-5-6-13%2825-2%2919%2826-3%2916%2812%2922%2824%2930-18%2Fh5-6%2C9%2C17-18H%2C7-8%2C10H2%2C1-4H3%2Ft17-%2C18%2B%2Fm1%2Fs1, 60.2657012939453, 0.0, 0.0, 0.0714492872357368, , 11.0, 0.0, 34.0, 12.0, 2.0, 12.0, -0.267300009727478, 4.0, 3.0, 53.0, 1.5789999961853
-InChI%3D1S%2FC24H29N5O3%2Fc1-4-5-10-21%2830%2929%2822%2816%282%293%2924%2831%2932%2915-17-11-13-18%2814-12-17%2919-8-6-7-9-20%2819%2923-25-27-28-26-23%2Fh6-9%2C11-14%2C16%2C22H%2C4-5%2C10%2C15H2%2C1-3H3%2C%28H%2C31%2C32%29%28H%2C25%2C26%2C27%2C28%29%2Ft22-%2Fm1%2Fs1, 53.2346992492676, 2.0, 5.0, 0.878156423568726, , 12.0, 5.0, 34.0, 17.0, 15.0, 12.0, -0.937099993228912, 11.0, 3.22000002861023, 60.0, 6.90000009536743
-InChI%3D1S%2FC4H11N5%2Fc1-9%282%294%287%298-3%285%296%2Fh1-2H3%2C%28H5%2C5%2C6%2C7%2C8%29, 31.2928009033203, 0.0, 0.0, 0.0497736111283302, , 7.0, 4.0, 8.0, 0.0, 9.0, 0.0, -0.223100006580353, 3.0, 1.35000002384186, 20.0, 0.558000028133392
-InChI%3D1S%2FC20H28N2O3%2Fc1-22-14-8-13-21-18%2822%2915-25-19%2823%2920%2824%2C16-9-4-2-5-10-16%2917-11-6-3-7-12-17%2Fh2%2C4-5%2C9-10%2C17%2C24H%2C3%2C6-8%2C11-15H2%2C1H3, 62.7070007324219, 0.0, 2.0, 6.55513620376587, , 6.0, 1.0, 27.0, 6.0, 6.0, 6.0, -2.56030011177063, 6.0, 3.10999989509583, 53.0, 4.82000017166138
-InChI%3D1S%2FC9H23NO3PS.HI%2Fc1-6-12-14%2811%2C13-7-2%2915-9-8-10%283%2C4%295%3B%2Fh6-9H2%2C1-5H3%3B1H%2Fq%2B1%3B%2Fp-1, , 0.0, 2.0, , , 4.0, 0.0, 14.0, 0.0, 15.0, 0.0, , 8.0, 1.67999994754791, 39.0, 1.53400003910065
-InChI%3D1S%2FC21H21N%2Fc1-22-14-12-18%2813-15-22%2921-19-8-4-2-6-16%2819%2910-11-17-7-3-5-9-20%2817%2921%2Fh2-11H%2C12-15H2%2C1H3, 45.119701385498, 1.0, 0.0, 1.42635250091553, , 16.0, 0.0, 25.0, 12.0, 0.0, 12.0, 1.19430005550385, 0.0, 3.66000008583069, 43.0, 7.96199989318848
-InChI%3D1S%2FC22H29NO2%2Fc1-5-21%2824%2925-22%2818%282%2917-23%283%294%2C20-14-10-7-11-15-20%2916-19-12-8-6-9-13-19%2Fh6-15%2C18H%2C5%2C16-17H2%2C1-4H3%2Ft18-%2C22%2B%2Fm1%2Fs1, 51.3361015319824, 1.0, 4.0, 0.155314803123474, , 6.0, 0.0, 26.0, 12.0, 13.0, 12.0, 0.39410001039505, 9.0, 3.54999995231628, 54.0, 7.62900018692017
-InChI%3D1S%2FC28H37FO7%2Fc1-6-23%2833%2935-15-22%2832%2928%2836-24%2834%297-2%2916%283%2912-20-19-9-8-17-13-18%2830%2910-11-25%2817%2C4%2927%2819%2C29%2921%2831%2914-26%2820%2C28%295%2Fh10-11%2C13%2C16%2C19-21%2C31H%2C6-9%2C12%2C14-15H2%2C1-5H3%2Ft16-%2C19%2B%2C20%3F%2C21%2B%2C25%2B%2C26%2B%2C27%3F%2C28%2B%2Fm1%2Fs1, 129.645294189453, 0.0, 3.0, 0.0011155599495396, , 6.0, 1.0, 39.0, 0.0, 8.0, 0.0, -0.0333999991416931, 8.0, 3.66000008583069, 73.0, 2.6949999332428
-InChI%3D1S%2FC14H14ClNS%2Fc15-13-4-2-1-3-11%2813%299-16-7-5-14-12%2810-16%296-8-17-14%2Fh1-4%2C6%2C8H%2C5%2C7%2C9-10H2, 33.3553009033203, 0.0, 0.0, 1.19880604743958, , 6.0, 0.0, 19.0, 11.0, 0.0, 11.0, 1.0949000120163, 2.0, 2.67000007629395, 31.0, 4.07999992370605
-InChI%3D1S%2FC28H24N6.2BrH%2Fc1-21-27%2823-13-5-3-6-14-23%2933%2825-17-9-11-19-31%2821%2925%2929-30-34-26-18-10-12-20-32%2826%2922%282%2928%2834%2924-15-7-4-8-16-24%3B%3B%2Fh3-20H%2C1-2H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2, , 1.0, 0.0, , , 6.0, 2.0, 39.0, 32.0, 2.0, 12.0, , 4.0, 3.66000008583069, 62.0, 10.2559995651245
-InChI%3D1S%2FC14H21N3O2S%2Fc1-15-20%2818%2C19%2910-11-4-5-14-13%288-11%2912%289-16-14%296-7-17%282%293%2Fh4-5%2C8-9%2C15-16H%2C6-7%2C10H2%2C1-3H3, 45.0059013366699, 0.0, 2.0, 0.113973759114742, , 7.0, 2.0, 21.0, 10.0, 6.0, 6.0, -0.337599992752075, 6.0, 2.33999991416931, 40.0, 1.08299994468689
-InChI%3D1S%2FC18H22I3N3O8%2Fc1-5%2826%2922-12-9%2819%298%2810%2820%2914%2811%2812%2921%2924%283%296%282%2927%2917%2830%2923-13-16%2829%2915%2828%297%284-25%2932-18%2813%2931%2Fh7%2C13%2C15-16%2C18%2C25%2C28-29%2C31H%2C4H2%2C1-3H3%2C%28H%2C22%2C26%29%28H%2C23%2C30%29%2Ft7%3F%2C13%3F%2C15-%2C16-%2C18%3F%2Fm1%2Fs1, 116.043800354004, 2.0, 0.0, 2.01412868499756, , 15.0, 6.0, 33.0, 6.0, 5.0, 6.0, 1.41919994354248, 6.0, 1.89999997615814, 54.0, 1.37399995326996
-InChI%3D1S%2FC13H16ClNO%2Fc1-15-13%289-5-4-8-12%2813%2916%2910-6-2-3-7-11%2810%2914%2Fh2-3%2C6-7%2C15H%2C4-5%2C8-9H2%2C1H3, 37.0854988098145, 0.0, 0.0, 0.166545614600182, , 6.0, 1.0, 17.0, 6.0, 2.0, 6.0, -0.408100008964539, 2.0, 2.55999994277954, 32.0, 2.96600008010864
-InChI%3D1S%2FCH5N3%2Fc2-1%283%294%2Fh%28H5%2C2%2C3%2C4%29, 11.1997003555298, 0.0, 0.0, 0.220430254936218, , 4.0, 3.0, 3.0, 0.0, 4.0, 0.0, -0.469500005245209, 0.0, 1.24000000953674, 9.0, -0.646000027656555
-InChI%3D1S%2FC17H24N2O2%2Fc1-3-19%284-2%2913-12-17%2814-8-6-5-7-9-14%2911-10-15%2820%2918-16%2817%2921%2Fh5-9H%2C3-4%2C10-13H2%2C1-2H3%2C%28H%2C18%2C20%2C21%29, 57.2960014343262, 0.0, 2.0, 0.0190716106444597, , 6.0, 1.0, 22.0, 6.0, 7.0, 6.0, -0.138099998235703, 6.0, 2.89000010490417, 45.0, 4.08099985122681
-InChI%3D1S%2FC20H23N5O6S%2Fc1-20%282%2913%2817%2828%2929%2925-15%2827%2912%2816%2825%2932-20%2922-14%2826%2911%2810-6-4-3-5-7-10%2923-19%2831%2924-9-8-21-18%2824%2930%2Fh3-7%2C11-13%2C16H%2C8-9H2%2C1-2H3%2C%28H%2C21%2C30%29%28H%2C22%2C26%29%28H%2C23%2C31%29%28H%2C28%2C29%29%2Ft11-%2C12%3F%2C13-%2C16%2B%2Fm0%2Fs1, 86.5372009277344, 1.0, 2.0, 0.00257048988714814, , 7.0, 4.0, 35.0, 6.0, 7.0, 6.0, 0.0507000014185905, 6.0, 2.33999991416931, 55.0, 2.80900001525879
-InChI%3D1S%2FC18H28N4O%2Fc1-3-5-13-22%2814-6-4-2%2915-12-19-18-20-17%2821-23-18%2916-10-8-7-9-11-16%2Fh7-11H%2C3-6%2C12-15H2%2C1-2H3%2C%28H%2C19%2C20%2C21%29, 61.5312004089355, 1.0, 4.0, 2.03918409347534, , 6.0, 2.0, 24.0, 6.0, 12.0, 6.0, -1.42799997329712, 10.0, 2.89000010490417, 53.0, 5.59899997711182
-InChI%3D1S%2FC10H15N3%2Fc1-11-10%2812-2%2913-8-9-6-4-3-5-7-9%2Fh3-7H%2C8H2%2C1-2H3%2C%28H2%2C11%2C12%2C13%29, 27.0251007080078, 0.0, 0.0, 0.347628146409988, , 6.0, 2.0, 13.0, 6.0, 7.0, 6.0, -0.589600026607513, 4.0, 2.23000001907349, 28.0, 3.15599989891052
-InChI%3D1S%2FC12H18N2O4%2Fc1-17-8-3-4-11%2818-2%299%285-8%2910%2815%297-14-12%2816%296-13%2Fh3-5%2C10%2C15H%2C6-7%2C13H2%2C1-2H3%2C%28H%2C14%2C16%29, 42.3800010681152, 0.0, 2.0, 3.46034407615662, , 8.0, 3.0, 18.0, 6.0, 8.0, 6.0, -1.86020004749298, 6.0, 2.11999988555908, 36.0, -0.261000007390976
-InChI%3D1S%2FC21H25NO3%2Fc23-20%2825-17-16-22-14-8-3-9-15-22%2921%2824%2C18-10-4-1-5-11-18%2919-12-6-2-7-13-19%2Fh1-2%2C4-7%2C10-13%2C24H%2C3%2C8-9%2C14-17H2, 41.6408996582031, 1.0, 2.0, 2.69189643859863, , 6.0, 1.0, 27.0, 12.0, 7.0, 12.0, -1.64069998264313, 7.0, 3.32999992370605, 50.0, 5.52699995040894
-InChI%3D1S%2FC5H9NO4S%2Fc6-3%285%289%2910%291-11-2-4%287%298%2Fh3H%2C1-2%2C6H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29, 39.0512008666992, 0.0, 3.0, 0.972590446472168, , 3.0, 3.0, 10.0, 0.0, 11.0, 0.0, -0.986199975013733, 5.0, 1.35000002384186, 20.0, -3.09400010108948
-InChI%3D1S%2FC24H34N2O5%2Fc1-3-31-24%2830%2919%2814-13-17-9-5-4-6-10-17%2925-16%282%2922%2827%2926-20-12-8-7-11-18%2820%2915-21%2826%2923%2828%2929%2Fh4-6%2C9-10%2C16%2C18-21%2C25H%2C3%2C7-8%2C11-15H2%2C1-2H3%2C%28H%2C28%2C29%29%2Ft16-%2C18%3F%2C19-%2C20-%2C21-%2Fm0%2Fs1, 81.7261962890625, 2.0, 4.0, 5.70397710800171, , 6.0, 2.0, 33.0, 6.0, 13.0, 6.0, -2.3882999420166, 11.0, 3.32999992370605, 65.0, 5.4850001335144
-InChI%3D1S%2FC35H42N2O9%2Fc1-40-21-8-9-22-23-11-12-37-18-20-15-29%2846-30%2838%2910-7-19-13-27%2841-2%2933%2843-4%2928%2814-19%2942-3%2934%2844-5%2931%2835%2839%2945-6%2924%2820%2917-26%2837%2932%2823%2936-25%2822%2916-21%2Fh7-10%2C13-14%2C16%2C20%2C24%2C26%2C29%2C31%2C34%2C36H%2C11-12%2C15%2C17-18H2%2C1-6H3%2Fb10-7%2B%2Ft20%3F%2C24%3F%2C26-%2C29%3F%2C31%2B%2C34%2B%2Fm1%2Fs1, 110.201301574707, 1.0, 3.0, 0.00683928979560733, , 14.0, 1.0, 51.0, 16.0, 5.0, 12.0, -0.0826999992132187, 11.0, 4.09999990463257, 87.0, 3.5
-InChI%3D1S%2FC20H22N2S%2Fc1-3-7-19-17%285-1%2922%2818-6-2-4-8-20%2818%2923-19%2914-16-13-21-11-9-15%2816%2910-12-21%2Fh1-8%2C15-16H%2C9-14H2, 43.8670997619629, 0.0, 0.0, 0.275415033102036, , 13.0, 0.0, 27.0, 12.0, 0.0, 12.0, -0.524800002574921, 2.0, 3.32999992370605, 45.0, 4.76300001144409
-InChI%3D1S%2FC15H16N4O%2Fc1-3-19-15-13%2810%282%2918-19%2917-12%2820%299-16-14%2815%2911-7-5-4-6-8-11%2Fh4-8H%2C3%2C9H2%2C1-2H3%2C%28H%2C17%2C20%29, 38.2625007629395, 0.0, 2.0, 0.173388957977295, , 8.0, 2.0, 22.0, 11.0, 2.0, 6.0, 0.416399985551834, 2.0, 2.55999994277954, 36.0, 2.91000008583069
-InChI%3D1S%2FC17H27NO2%2Fc1-18%282%2913-16%2817%2819%2911-5-4-6-12-17%2914-7-9-15%2820-3%2910-8-14%2Fh7-10%2C16%2C19H%2C4-6%2C11-13H2%2C1-3H3, 51.6282005310059, 0.0, 2.0, 1.50430226325989, , 7.0, 1.0, 21.0, 6.0, 5.0, 6.0, -1.22650003433228, 5.0, 3.0, 47.0, 3.23900008201599
-InChI%3D1S%2FC15H23N3O4S%2Fc1-14%282%299%2812%2820%2921%2918-10%2819%298%2811%2818%2923-14%2917-13%2822%2915%2816%296-4-3-5-7-15%2Fh8-9%2C11H%2C3-7%2C16H2%2C1-2H3%2C%28H%2C17%2C22%29%28H%2C20%2C21%29%2Ft8-%2C9%2B%2C11-%2Fm1%2Fs1, 78.685302734375, 0.0, 0.0, 1.79854917526245, , 3.0, 3.0, 25.0, 0.0, 3.0, 0.0, -1.34109997749329, 3.0, 2.23000001907349, 46.0, -1.97500002384186
-InChI%3D1S%2FC17H25NO4%2Fc1-20-13-11-15%2821-2%2917%2816%2812-13%2922-3%2914%2819%297-6-10-18-8-4-5-9-18%2Fh11-12H%2C4-10H2%2C1-3H3, 57.6119995117188, 0.0, 4.0, 1.4409601688385, , 11.0, 0.0, 23.0, 6.0, 5.0, 6.0, -1.20039999485016, 8.0, 2.77999997138977, 47.0, 1.51300001144409
-InChI%3D1S%2FC14H15N3O5S2.Na%2Fc1-9%2818%2917-24%2821%2C22%2914-8-11%2816%294-7-13%2814%2923%2819%2C20%2912-5-2-10%2815%293-6-12%3B%2Fh2-8H%2C15-16H2%2C1H3%2C%28H%2C17%2C18%29%3B%2Fq%3B%2B1%2Fp-1, , 0.0, 0.0, , , 23.0, 2.0, 25.0, 12.0, 7.0, 12.0, , 4.0, 1.78999996185303, 39.0, 0.177000001072884
-InChI%3D1S%2FC14H22ClNO2%2Fc1-10-5-6-12%2815%2913%287-10%2918-9-11%2817%298-16-14%282%2C3%294%2Fh5-7%2C11%2C16-17H%2C8-9H2%2C1-4H3, 50.9241981506348, 0.0, 3.0, 1.84389245510101, , 7.0, 2.0, 18.0, 6.0, 10.0, 6.0, 1.35790002346039, 6.0, 2.55999994277954, 40.0, 3.01300001144409
-InChI%3D1S%2FC5H10N2O3%2Fc6-3%285%289%2910%291-2-4%287%298%2Fh3H%2C1-2%2C6H2%2C%28H2%2C7%2C8%29%28H%2C9%2C10%29, 30.7014007568359, 0.0, 5.0, 2.19513845443726, , 3.0, 4.0, 9.0, 0.0, 10.0, 0.0, -1.48160004615784, 4.0, 1.46000003814697, 20.0, -2.94300007820129
-InChI%3D1S%2FC18H22N2%2Fc1-19-12-14-20%2815-13-19%2918%2816-8-4-2-5-9-16%2917-10-6-3-7-11-17%2Fh2-11%2C18H%2C12-15H2%2C1H3, 33.7393989562988, 1.0, 0.0, 0.0155500900000334, , 6.0, 0.0, 22.0, 12.0, 0.0, 12.0, 0.124700002372265, 3.0, 3.22000002861023, 42.0, 5.55900001525879
-InChI%3D1S%2FC13H18ClN3O4S2%2Fc14-9-6-10-12%287-11%289%2922%2815%2C18%2919%2923%2820%2C21%2917-13%2816-10%295-8-3-1-2-4-8%2Fh6-8%2C13%2C16-17H%2C1-5H2%2C%28H2%2C15%2C18%2C19%29, 54.8175010681152, 0.0, 0.0, 4.30894565582275, , 15.0, 3.0, 25.0, 6.0, 3.0, 6.0, -2.0757999420166, 3.0, 1.78999996185303, 41.0, 1.42999994754791
-InChI%3D1S%2FC17H12ClF3N2O%2Fc18-12-6-7-14-13%288-12%2916%2811-4-2-1-3-5-11%2922-9-15%2824%2923%2814%2910-17%2819%2C20%2921%2Fh1-8H%2C9-10H2, 35.3689994812012, 1.0, 2.0, 0.831379234790802, , 17.0, 0.0, 26.0, 12.0, 5.0, 12.0, 0.911800026893616, 3.0, 2.55999994277954, 36.0, 5.27699995040894
-InChI%3D1S%2FC8H12N4O5%2Fc9-7-10-2-12%288%2816%2911-7%296-5%2815%294%2814%293%281-13%2917-6%2Fh2-6%2C13-15H%2C1H2%2C%28H2%2C9%2C11%2C16%29%2Ft3%3F%2C4-%2C5-%2C6%3F%2Fm1%2Fs1, 51.6804008483887, 1.0, 0.0, 3.01057195663452, , 4.0, 7.0, 18.0, 0.0, 2.0, 0.0, -1.73510003089905, 2.0, 1.35000002384186, 33.0, -1.72200000286102
-InChI%3D1S%2FC4H7NO2S%2Fc6-4%287%293-1-8-2-5-3%2Fh3%2C5H%2C1-2H2%2C%28H%2C6%2C7%29, 30.5816993713379, 0.0, 0.0, 0.0439321584999561, , 3.0, 2.0, 8.0, 0.0, 3.0, 0.0, -0.209600001573563, 1.0, 1.46000003814697, 15.0, -0.287999987602234
-InChI%3D1S%2FC21H24ClN3O3%2Fc1-24%2815-20%2826%2925-10-12-28-13-11-25%2914-17-18%2822%298-5-9-19%2817%2923-21%2827%2916-6-3-2-4-7-16%2Fh2-9H%2C10-15H2%2C1H3%2C%28H%2C23%2C27%29, 59.8703002929688, 0.0, 2.0, 0.023870250210166, , 15.0, 1.0, 30.0, 12.0, 6.0, 12.0, -0.154499992728233, 7.0, 3.0, 52.0, 3.92700004577637
-InChI%3D1S%2FC16H25NO3%2Fc1-11%282%2914-10-15%2820-13%284%2918%2912%283%299-16%2814%2919-8-7-17%285%296%2Fh9-11H%2C7-8H2%2C1-6H3, 56.8208999633789, 0.0, 2.0, 1.48986434936523, , 10.0, 0.0, 20.0, 6.0, 6.0, 6.0, 1.22060000896454, 7.0, 2.77999997138977, 45.0, 3.28299999237061
-InChI%3D1S%2FC16H20N4O3S%2Fc1-11%282%2918-16%2821%2920-24%2822%2C23%2915-10-17-8-7-14%2815%2919-13-6-4-5-12%283%299-13%2Fh4-11H%2C1-3H3%2C%28H%2C17%2C19%29%28H2%2C18%2C20%2C21%29, 67.4225997924805, 0.0, 0.0, 0.294523298740387, , 8.0, 3.0, 25.0, 6.0, 10.0, 6.0, -0.542699992656708, 5.0, 2.33999991416931, 48.0, 3.16000008583069
-InChI%3D1S%2FC20H28N2O5S%2Fc1-4-26-17-7-5-6-8-18%2817%2927-12-11-22-15%282%2913-16-9-10-19%2825-3%2920%2814-16%2928%2821%2C23%2924%2Fh5-10%2C14-15%2C22H%2C4%2C11-13H2%2C1-3H3%2C%28H2%2C21%2C23%2C24%29%2Ft15-%2Fm1%2Fs1, 58.5724983215332, 1.0, 3.0, 1.63251733779907, , 11.0, 2.0, 29.0, 12.0, 7.0, 12.0, -1.27769994735718, 11.0, 2.77999997138977, 56.0, 2.67799997329712
-InChI%3D1S%2FC16H25NO2%2Fc1-17%282%2912-14-7-4-5-10-16%2814%2C18%2913-8-6-9-15%2811-13%2919-3%2Fh6%2C8-9%2C11%2C14%2C18H%2C4-5%2C7%2C10%2C12H2%2C1-3H3%2Ft14-%2C16%3F%2Fm1%2Fs1, 48.7165985107422, 0.0, 0.0, 0.880782246589661, , 7.0, 1.0, 20.0, 6.0, 4.0, 6.0, -0.938499987125397, 4.0, 2.89000010490417, 44.0, 2.88100004196167
-InChI%3D1S%2FC6H14N2O2.ClH%2Fc1-8%282%2C3%294-5-10-6%287%299%3B%2Fh4-5H2%2C1-3H3%2C%28H-%2C7%2C9%29%3B1H, 34.0643997192383, 0.0, 2.0, 1.74874174594879, , 4.0, 1.0, 9.0, 0.0, 10.0, 0.0, -1.32239997386932, 4.0, 1.57000005245209, 26.0, 0.671000003814697
-InChI%3D1S%2FC17H28N2O%2Fc1-6-12-19%288-3%2915%287-2%2917%2820%2918-16-13%284%2910-9-11-14%2816%295%2Fh9-11%2C15H%2C6-8%2C12H2%2C1-5H3%2C%28H%2C18%2C20%29, 58.0247001647949, 0.0, 4.0, 0.901360332965851, , 9.0, 1.0, 20.0, 6.0, 12.0, 6.0, 0.949400007724762, 7.0, 3.0, 48.0, 4.67700004577637
-InChI%3D1S%2FC27H44O2%2Fc1-19-10-13-23%2828%2918-22%2819%2912-11-21-9-7-17-27%285%2924%2814-15-25%2821%2927%2920%282%298-6-16-26%283%2C4%2929%2Fh11-12%2C20%2C23-25%2C28-29H%2C1%2C6-10%2C13-18H2%2C2-5H3%2Fb21-11%2B%2C22-12%3F%2Ft20-%2C23%2B%2C24-%2C25%2B%2C27%3F%2Fm1%2Fs1, 119.433296203613, 1.0, 7.0, 1.76305282115936, , 6.0, 2.0, 31.0, 0.0, 9.0, 0.0, 1.32780003547668, 6.0, 4.21000003814697, 73.0, 7.93100023269653
-InChI%3D1S%2FC7H11NO7P2%2Fc9-7%2816%2810%2C11%2912%2C17%2813%2C14%2915%294-6-2-1-3-8-5-6%2Fh1-3%2C5%2C9H%2C4H2%2C%28H2%2C10%2C11%2C12%29%28H2%2C13%2C14%2C15%29, 32.5373001098633, 0.0, 2.0, 0.787301301956177, , 6.0, 5.0, 17.0, 6.0, 11.0, 6.0, -0.88730001449585, 4.0, 1.12999999523163, 28.0, -3.00099992752075
-InChI%3D1S%2FC46H78N2O15%2Fc1-13-35%2850%2960-34-24-36%2851%2956-27%283%2917-15-14-16-18-33%2861-37-20-19-32%2847%288%299%2928%284%2957-37%2926%282%2923-31%2821-22-49%2942%2843%2834%2955-12%2963-45-40%2852%2939%2848%2810%2911%2941%2829%285%2959-45%2962-38-25-46%287%2C54%2944%2853%2930%286%2958-38%2Fh14-16%2C18%2C22%2C26-34%2C37-45%2C52-54H%2C13%2C17%2C19-21%2C23-25H2%2C1-12H3%2Fb15-14-%2C18-16-%2Ft26%3F%2C27-%2C28-%2C29-%2C30%2B%2C31%3F%2C32%2B%2C33%2B%2C34-%2C37-%2C38%2B%2C39-%2C40-%2C41-%2C42%2B%2C43%2B%2C44%2B%2C45%3F%2C46-%2Fm1%2Fs1, 227.093399047852, 2.0, 3.0, 3.32150626182556, , 4.0, 3.0, 66.0, 0.0, 5.0, 0.0, -1.82249999046326, 14.0, 4.65000009536743, 141.0, 2.92199993133545
-InChI%3D1S%2FC3H11NO7P2%2Fc4-2-1-3%285%2C12%286%2C7%298%2913%289%2C10%2911%2Fh5H%2C1-2%2C4H2%2C%28H2%2C6%2C7%2C8%29%28H2%2C9%2C10%2C11%29, 39.9314002990723, 1.0, 3.0, 4.70542860031128, , 4.0, 6.0, 12.0, 0.0, 13.0, 0.0, -2.16919994354248, 4.0, 0.689999997615814, 24.0, -4.6560001373291
-InChI%3D1S%2FC16H14N2O4%2Fc1-7%282%298-3-4-12-9%285-8%2913%2819%2910-6-11%2816%2820%2921%2914%2817%2918-15%2810%2922-12%2Fh3-7H%2C1-2H3%2C%28H2%2C17%2C18%29%28H%2C20%2C21%29, 32.6743011474609, 0.0, 3.0, 0.696724116802216, , 19.0, 2.0, 24.0, 12.0, 3.0, 12.0, -0.834699988365173, 2.0, 2.55999994277954, 36.0, 3.35400009155273
-InChI%3D1S%2FC41H64O14%2Fc1-19-36%2847%2928%2842%2915-34%2850-19%2954-38-21%283%2952-35%2817-30%2838%2944%2955-37-20%282%2951-33%2816-29%2837%2943%2953-24-8-10-39%284%2923%2813-24%296-7-26-27%2839%2914-31%2845%2940%285%2925%289-11-41%2826%2C40%2948%2922-12-32%2846%2949-18-22%2Fh12%2C19-21%2C23-31%2C33-38%2C42-45%2C47-48H%2C6-11%2C13-18H2%2C1-5H3%2Ft19-%2C20-%2C21-%2C23-%2C24%2B%2C25-%2C26%3F%2C27%2B%2C28%2B%2C29%2B%2C30%2B%2C31-%2C33%2B%2C34%2B%2C35%2B%2C36-%2C37-%2C38-%2C39%2B%2C40%2B%2C41%3F%2Fm1%2Fs1, 184.464004516602, 2.0, 0.0, 13.5291547775269, , 5.0, 6.0, 62.0, 0.0, 0.0, 0.0, -3.67820000648499, 7.0, 4.42999982833862, 119.0, 2.17400002479553
-InChI%3D1S%2FC16H18N2%2Fc1-18-10-14%2812-6-3-2-4-7-12%2913-8-5-9-16%2817%2915%2813%2911-18%2Fh2-9%2C14H%2C10-11%2C17H2%2C1H3, 25.8141002655029, 0.0, 0.0, 0.416670262813568, , 7.0, 1.0, 20.0, 12.0, 0.0, 12.0, -0.645500004291534, 1.0, 3.0, 36.0, 4.55999994277954
-InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2, 50.7221984863281, 0.0, 0.0, 0.579273223876953, , 5.0, 0.0, 13.0, 0.0, 2.0, 0.0, -0.761099994182587, 3.0, 1.57000005245209, 23.0, 0.759999990463257
-InChI%3D1S%2FC10H12ClNO2%2Fc11-9-3-1-7%282-4-9%298%286-12%295-10%2813%2914%2Fh1-4%2C8H%2C5-6%2C12H2%2C%28H%2C13%2C14%29, 29.1212005615234, 0.0, 4.0, 0.255125999450684, , 6.0, 2.0, 14.0, 6.0, 7.0, 6.0, -0.505100011825562, 4.0, 2.11999988555908, 26.0, 1.57700002193451
-InChI%3D1S%2FC12H14N4O3S%2Fc1-8-14-11%287-12%2815-8%2919-2%2916-20%2817%2C18%2910-5-3-9%2813%294-6-10%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29, 28.5781993865967, 0.0, 0.0, 2.84563159942627, , 18.0, 2.0, 21.0, 12.0, 4.0, 12.0, -1.68690001964569, 4.0, 1.89999997615814, 34.0, 1.33299994468689
-InChI%3D1S%2FC16H15N5O7S2%2Fc1-2-6-4-29-14-10%2813%2825%2921%2814%2911%286%2915%2826%2927%2919-12%2824%299%2820-28-3-8%2822%2923%297-5-30-16%2817%2918-7%2Fh2%2C5%2C10%2C14H%2C1%2C3-4H2%2C%28H2%2C17%2C18%29%28H%2C19%2C24%29%28H%2C22%2C23%29%28H%2C26%2C27%29%2Fb20-9%2B%2Ft10-%2C14-%2Fm1%2Fs1, 105.24829864502, 0.0, 2.0, 0.00364816002547741, , 10.0, 5.0, 32.0, 0.0, 10.0, 0.0, -0.0604000017046928, 8.0, 1.67999994754791, 47.0, 0.24099999666214
-InChI%3D1S%2FC12H11N7%2Fc13-9-7%286-4-2-1-3-5-6%2916-8-10%2814%2918-12%2815%2919-11%288%2917-9%2Fh1-5H%2C%28H6%2C13%2C14%2C15%2C17%2C18%2C19%29, 40.4961013793945, 1.0, 0.0, 4.24154043197632, , 6.0, 7.0, 21.0, 6.0, 0.0, 6.0, -2.05949997901917, 1.0, 2.00999999046326, 36.0, 1.93400001525879
-InChI%3D1S%2FC16H17N5O7S2%2Fc1-6%2822%2928-3-7-4-29-14-10%2813%2824%2921%2814%2911%287%2915%2825%2926%2919-12%2823%299%2820-27-2%298-5-30-16%2817%2918-8%2Fh5%2C10%2C14H%2C3-4H2%2C1-2H3%2C%28H2%2C17%2C18%29%28H%2C19%2C23%29%28H%2C25%2C26%29%2Fb20-9-%2Ft10%3F%2C14-%2Fm1%2Fs1, 105.444801330566, 0.0, 2.0, 0.0862009599804878, , 8.0, 4.0, 32.0, 0.0, 7.0, 0.0, -0.293599992990494, 8.0, 1.67999994754791, 49.0, 0.061999998986721
-InChI%3D1S%2FC14H18Cl2N2O6S.ClH%2Fc1-25%2822%2C23%299-4-2-8%283-5-9%2912%2820%2910%287-24-11%2819%296-17%2918-14%2821%2913%2815%2916%3B%2Fh2-5%2C10%2C12-13%2C20H%2C6-7%2C17H2%2C1H3%2C%28H%2C18%2C21%29%3B1H%2Ft10-%2C12%2B%3B%2Fm0.%2Fs1, 67.2698974609375, 0.0, 3.0, 0.81703519821167, , 9.0, 3.0, 25.0, 6.0, 15.0, 6.0, -0.903900027275085, 9.0, 1.67999994754791, 45.0, 1.07000005245209
-InChI%3D1S%2FC12H11I3N2O4%2Fc1-4%2818%2916-10-7%2813%296%2812%2820%2921%298%2814%2911%289%2810%2915%2917%283%295%282%2919%2Fh1-3H3%2C%28H%2C16%2C18%29%28H%2C20%2C21%29, 81.5213012695312, 0.0, 2.0, 11.7388467788696, , 15.0, 2.0, 21.0, 6.0, 5.0, 6.0, 3.4261999130249, 4.0, 1.78999996185303, 32.0, 3.15599989891052
-InChI%3D1S%2FC8H14N2O2%2Fc1-2-6%288%289%2912%2910-5-3-4-7%2810%2911%2Fh6H%2C2-5H2%2C1H3%2C%28H2%2C9%2C12%29%2Ft6-%2Fm0%2Fs1, 40.2239990234375, 0.0, 4.0, 1.82736325263977, , 3.0, 2.0, 12.0, 0.0, 6.0, 0.0, -1.35179996490479, 3.0, 1.89999997615814, 26.0, 0.501999974250793
-InChI%3D1S%2FC11H18N2O3%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 56.263801574707, 0.0, 5.0, 0.943423688411713, , 8.0, 2.0, 16.0, 0.0, 5.0, 0.0, -0.971300005912781, 4.0, 2.11999988555908, 34.0, 3.06900000572205
-InChI%3D1S%2FCH3O5P.3Na%2Fc2-1%283%297%284%2C5%296%3B%3B%3B%2Fh%28H%2C2%2C3%29%28H2%2C4%2C5%2C6%29%3B%3B%3B%2Fq%3B3%2A%2B1%2Fp-3, , 0.0, 0.0, , , 7.0, 0.0, 6.0, 0.0, 7.0, 0.0, , 1.0, 0.579999983310699, 10.0, -2.60800004005432
-InChI%3D1S%2FC8H12N2O3%2Fc1-3-8%284-2%295%2811%299-7%2813%2910-6%288%2912%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29, 44.8168983459473, 0.0, 2.0, 0.666998863220215, , 8.0, 2.0, 13.0, 0.0, 2.0, 0.0, -0.816699981689453, 2.0, 1.78999996185303, 25.0, 1.42299997806549
-InChI%3D1S%2FC11H11NO2%2Fc1-12-10%2813%297-9%2811%2812%2914%298-5-3-2-4-6-8%2Fh2-6%2C9H%2C7H2%2C1H3, 26.2504997253418, 0.0, 0.0, 0.586602807044983, , 6.0, 0.0, 15.0, 6.0, 0.0, 6.0, -0.765900015830994, 1.0, 2.33999991416931, 25.0, 2.37199997901917
-InChI%3D1S%2FC19H23ClN2%2Fc1-21%282%2912-5-13-22-18-7-4-3-6-15%2818%298-9-16-10-11-17%2820%2914-19%2816%2922%2Fh3-4%2C6-7%2C10-11%2C14H%2C5%2C8-9%2C12-13H2%2C1-2H3, 44.8717994689941, 1.0, 3.0, 0.69772607088089, , 13.0, 0.0, 24.0, 12.0, 6.0, 12.0, 0.835300028324127, 4.0, 3.22000002861023, 45.0, 5.12900018692017
-InChI%3D1S%2FC22H30N6O4S%2Fc1-5-7-17-19-20%2827%284%2925-17%2922%2829%2924-21%2823-19%2916-14-15%288-9-18%2816%2932-6-2%2933%2830%2C31%2928-12-10-26%283%2911-13-28%2Fh8-9%2C14H%2C5-7%2C10-13H2%2C1-4H3%2C%28H%2C23%2C24%2C29%29, 85.9704971313477, 0.0, 3.0, 1.86213314533234, , 11.0, 3.0, 36.0, 11.0, 3.0, 6.0, -1.36459994316101, 7.0, 2.67000007629395, 65.0, 0.970000028610229
-InChI%3D1S%2FC19H22N2O3%2Fc1-2-3-14-17%2819%2823%2924%2918%2822%2921%2816-12-8-5-9-13-16%2920-15-10-6-4-7-11-15%2Fh4-13%2C17%2C20H%2C2-3%2C14H2%2C1H3%2C%28H%2C23%2C24%29, 37.7560997009277, 1.0, 6.0, 2.91999745368958, , 16.0, 2.0, 25.0, 12.0, 12.0, 12.0, -1.70879995822906, 9.0, 3.0, 46.0, 6.76800012588501
-InChI%3D1S%2FC17H20BrNO%2Fc1-19%282%2912-13-20-17%2814-6-4-3-5-7-14%2915-8-10-16%2818%2911-9-15%2Fh3-11%2C17H%2C12-13H2%2C1-2H3, 37.331901550293, 1.0, 2.0, 0.85618007183075, , 6.0, 0.0, 21.0, 12.0, 7.0, 12.0, 0.925300002098083, 6.0, 3.0, 40.0, 5.52699995040894
-InChI%3D1S%2FC18H29NO3%2Fc1-14%282%2919-11-17%2820%2913-22-18-7-5-15%286-8-18%299-10-21-12-16-3-4-16%2Fh5-8%2C14%2C16-17%2C19-20H%2C3-4%2C9-13H2%2C1-2H3, 62.7029991149902, 1.0, 3.0, 0.462399989366531, , 7.0, 2.0, 23.0, 6.0, 9.0, 6.0, -0.680000007152557, 11.0, 3.0, 51.0, 2.7720000743866
-InChI%3D1S%2FC31H36N2O11.Na%2Fc1-14%282%297-8-16-13-17%289-11-19%2816%2934%2927%2837%2933-21-22%2835%2918-10-12-20%2815%283%2924%2818%2942-28%2821%2938%2941-29-23%2836%2925%2843-30%2832%2939%2926%2840-6%2931%284%2C5%2944-29%3B%2Fh7%2C9-13%2C23%2C25-26%2C29%2C34-36H%2C8H2%2C1-6H3%2C%28H2%2C32%2C39%29%28H%2C33%2C37%29%3B%2Fq%3B%2B1%2Fp-1%2Ft23-%2C25%2B%2C26-%2C29%3F%3B%2Fm1.%2Fs1, , 0.0, 4.0, , , 10.0, 5.0, 47.0, 12.0, 5.0, 12.0, , 10.0, 3.32999992370605, 82.0, 3.95099997520447
-InChI%3D1S%2FC12H17NO%2Fc1-10-12%2814-9-8-13%2810%292%2911-6-4-3-5-7-11%2Fh3-7%2C10%2C12H%2C8-9H2%2C1-2H3, 32.3326988220215, 0.0, 0.0, 0.00421201018616557, , 6.0, 0.0, 15.0, 6.0, 0.0, 6.0, -0.0649000033736229, 1.0, 2.55999994277954, 31.0, 3.06800007820129
-InChI%3D1S%2FC12H15N3O2S2%2Fc1-12%282%2C3%2910-13-14-11%2818-10%2915-19%2816%2C17%299-7-5-4-6-8-9%2Fh4-8H%2C1-3H3%2C%28H%2C14%2C15%29, 38.0619010925293, 0.0, 3.0, 1.46482610702515, , 15.0, 2.0, 20.0, 11.0, 4.0, 11.0, 1.21029996871948, 4.0, 2.00999999046326, 34.0, 3.32100009918213
-InChI%3D1S%2FC35H36ClNO3S%2Fc1-34%282%2C40%2930-9-4-3-7-25%2830%2913-17-32%2841-23-35%2818-19-35%2922-33%2838%2939%2927-8-5-6-24%2820-27%2910-15-29-16-12-26-11-14-28%2836%2921-31%2826%2937-29%2Fh3-12%2C14-16%2C20-21%2C32%2C40H%2C13%2C17-19%2C22-23H2%2C1-2H3%2C%28H%2C38%2C39%29, 80.0671997070312, 2.0, 3.0, 1.49352836608887, , 18.0, 2.0, 45.0, 23.0, 5.0, 22.0, 1.22210001945496, 12.0, 4.65000009536743, 77.0, 11.0950002670288
-InChI%3D1S%2FC9H13NO3%2Fc1-10-5-9%2813%296-2-3-7%2811%298%2812%294-6%2Fh2-4%2C9-13H%2C5H2%2C1H3%2Ft9-%2Fm0%2Fs1, 24.8006000518799, 0.0, 2.0, 3.01994872093201, , 8.0, 4.0, 13.0, 6.0, 5.0, 6.0, -1.73780000209808, 3.0, 2.00999999046326, 26.0, -0.0700000002980232
-InChI%3D1S%2FC12H19NO3%2Fc1-12%282%2C3%2913-7-11%2816%298-4-9%2814%296-10%2815%295-8%2Fh4-6%2C11%2C13-16H%2C7H2%2C1-3H3, 38.6044006347656, 0.0, 2.0, 0.650442242622375, , 8.0, 4.0, 16.0, 6.0, 8.0, 6.0, -0.806500017642975, 4.0, 2.33999991416931, 35.0, 0.800999999046326
-InChI%3D1S%2FC47H73NO17%2Fc1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34%2864-46-44%2858%2941%2848%2943%2857%2930%284%2963-46%2924-38-40%2845%2859%2960%2937%2854%2926-47%2861%2C65-38%2925-33%2851%2922-36%2853%2935%2852%2920-19-31%2849%2921-32%2850%2923-39%2855%2962-29%283%2928%282%2942%2827%2956%2Fh5-18%2C27-38%2C40-44%2C46%2C49-54%2C56-58%2C61H%2C19-26%2C48H2%2C1-4H3%2C%28H%2C59%2C60%29%2Fb6-5%2B%2C9-7%2B%2C10-8%2B%2C13-11%2B%2C14-12%2B%2C17-15%2B%2C18-16%2B%2Ft27-%2C28-%2C29-%2C30%2B%2C31%2B%2C32%2B%2C33-%2C34-%2C35%2B%2C36%2B%2C37-%2C38-%2C40%2B%2C41-%2C42%2B%2C43%2B%2C44%3F%2C46-%2C47%2B%2Fm0%2Fs1, 230.935302734375, 2.0, 0.0, 26.8469066619873, , 14.0, 12.0, 67.0, 0.0, 2.0, 0.0, -5.18139982223511, 3.0, 4.65000009536743, 138.0, 2.06800007820129
-InChI%3D1S%2FC15H12N2O%2Fc16-15%2818%2917-13-7-3-1-5-11%2813%299-10-12-6-2-4-8-14%2812%2917%2Fh1-10H%2C%28H2%2C16%2C18%29, 21.2961006164551, 1.0, 0.0, 0.154684886336327, , 18.0, 2.0, 20.0, 12.0, 3.0, 12.0, 0.393299996852875, 1.0, 2.77999997138977, 30.0, 6.09700012207031
-InChI%3D1S%2FC22H24N2O9.2H2O%2Fc1-21%2832%297-5-4-6-8%2825%299%287%2915%2826%2910-12%2821%2917%2828%2913-14%2824%282%293%2916%2827%2911%2820%2823%2931%2919%2830%2922%2813%2C33%2918%2810%2929%3B%3B%2Fh4-6%2C12-14%2C17%2C25%2C27-29%2C32-33H%2C1-3H3%2C%28H2%2C23%2C31%29%3B2%2A1H2%2Ft12%3F%2C13-%2C14%2B%2C17%2B%2C21-%2C22%2B%3B%3B%2Fm1..%2Fs1, 88.6361999511719, , 0.0, 11.464319229126, , 12.0, 10.0, 36.0, 6.0, 3.0, 6.0, -3.38590002059937, 2.0, 2.45000004768372, 63.0, 
-InChI%3D1S%2FC9H11NO4%2Fc10-6%289%2813%2914%293-5-1-2-7%2811%298%2812%294-5%2Fh1-2%2C4%2C6%2C11-12H%2C3%2C10H2%2C%28H%2C13%2C14%29%2Ft6-%2Fm0%2Fs1, 24.7588005065918, 0.0, 3.0, 4.02002477645874, , 8.0, 4.0, 14.0, 6.0, 6.0, 6.0, -2.00500011444092, 3.0, 1.89999997615814, 25.0, -2.11100006103516
-InChI%3D1S%2FC15H20N2O4S%2Fc1-11%2818%2912-7-9-14%2810-8-12%2922%2820%2C21%2917-15%2819%2916-13-5-3-2-4-6-13%2Fh7-10%2C13H%2C2-6H2%2C1H3%2C%28H2%2C16%2C17%2C19%29, 48.2519989013672, 0.0, 0.0, 5.55120706558228, , 15.0, 2.0, 23.0, 6.0, 7.0, 6.0, -2.35610008239746, 5.0, 2.33999991416931, 42.0, 2.87199997901917
-InChI%3D1S%2FC22H28N6O3S%2Fc1-15%282%2924-19-5-4-8-23-21%2819%2927-9-11-28%2812-10-27%2922%2829%2920-14-16-13-17%2826-32%283%2C30%2931%296-7-18%2816%2925-20%2Fh4-8%2C13-15%2C24-26H%2C9-12H2%2C1-3H3, 64.5218963623047, 0.0, 3.0, 3.15986180305481, , 11.0, 3.0, 35.0, 16.0, 5.0, 12.0, -1.77760004997253, 7.0, 2.77999997138977, 59.0, 2.18400001525879
-InChI%3D1S%2FC52H76O24%2Fc1-18-29%2872-34-14-30%2843%2858%2921%284%2968-34%2973-33-13-28%2854%2942%2857%2920%283%2967-33%2912-26-10-25-11-27%2849%2866-9%2948%2863%2941%2856%2919%282%2953%2950%2847%2862%2939%2825%2946%2861%2938%2826%2940%2818%2955%2976-36-16-31%2844%2859%2923%286%2970-36%2974-35-15-32%2845%2860%2922%285%2969-35%2975-37-17-52%288%2C65%2951%2864%2924%287%2971-37%2Fh10%2C12%2C19-24%2C27-28%2C30-37%2C41-45%2C49-51%2C53-61%2C64-65H%2C11%2C13-17H2%2C1-9H3%2Ft19-%2C20-%2C21-%2C22-%2C23-%2C24-%2C27%3F%2C28-%2C30-%2C31-%2C32-%2C33%2B%2C34%2B%2C35%2B%2C36%2B%2C37%2B%2C41%2B%2C42-%2C43%2B%2C44-%2C45-%2C49%2B%2C50%2B%2C51-%2C52%2B%2Fm1%2Fs1, 210.279006958008, 3.0, 5.0, 65.1329727172852, , 15.0, 11.0, 83.0, 11.0, 10.0, 10.0, -8.07050037384033, 15.0, 4.53999996185303, 152.0, -1.6139999628067
-InChI%3D1S%2FC24H29ClO4%2Fc1-12%2826%2924%2829-13%282%2927%298-6-16-14-10-20%2825%2919-11-21%2828%2915-9-18%2815%2923%2819%2C4%2917%2814%295-7-22%2816%2C24%293%2Fh10-11%2C14-18H%2C5-9H2%2C1-4H3%2Ft14%3F%2C15%3F%2C16-%2C17-%2C18-%2C22-%2C23-%2C24-%2Fm0%2Fs1, 111.438301086426, 0.0, 2.0, 1.61874723434448, , 6.0, 0.0, 33.0, 0.0, 4.0, 0.0, 1.27230000495911, 3.0, 3.54999995231628, 58.0, 3.28200006484985
-InChI%3D1S%2FC21H28O5%2Fc1-19-7-5-13%2823%299-12%2819%293-4-14-15-6-8-21%2826%2C17%2825%2911-22%2920%2815%2C2%2910-16%2824%2918%2814%2919%2Fh9%2C14-15%2C18%2C22%2C26H%2C3-8%2C10-11H2%2C1-2H3%2Ft14%3F%2C15-%2C18%2B%2C19-%2C20-%2C21-%2Fm0%2Fs1, 95.4826965332031, 0.0, 2.0, 1.02556133270264, , 4.0, 2.0, 29.0, 0.0, 4.0, 0.0, -1.01269996166229, 2.0, 3.22000002861023, 54.0, 0.140000000596046
-InChI%3D1S%2FC30H53NO11%2Fc1-3-4-9-31-29-7-5-28%286-8-29%2930%2832%2942-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2%2Fh5-8%2C31H%2C3-4%2C9-27H2%2C1-2H3, 131.113998413086, 2.0, 4.0, 4.41168022155762, , 10.0, 1.0, 42.0, 6.0, 31.0, 6.0, -2.1003999710083, 33.0, 3.44000005722046, 95.0, 1.35399997234344
-InChI%3D1S%2FC40H48N2O6.2HI%2Fc1-41%282%2917-15-27-22-34%2844-6%2936-24-30%2827%2931%2841%2919-25-9-12-29%2813-10-25%2947-40-38-28%2823-37%2845-7%2939%2840%2946-8%2916-18-42%283%2C4%2932%2838%2920-26-11-14-33%2843-5%2935%2821-26%2948-36%3B%3B%2Fh9-14%2C21-24%2C31-32H%2C15-20H2%2C1-8H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Ft31-%2C32%2B%3B%3B%2Fm0..%2Fs1, , 1.0, 0.0, , , 15.0, 0.0, 54.0, 24.0, 2.0, 24.0, , 4.0, 4.76000022888184, 98.0, 7.81599998474121
-InChI%3D1S%2FC11H10O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6%2C12-13H%2C1H3, 10.6312999725342, 0.0, 0.0, 0.0776179581880569, , 12.0, 2.0, 14.0, 11.0, 0.0, 10.0, -0.278600007295609, 0.0, 2.45000004768372, 23.0, 2.43600010871887
-InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, 16.4654006958008, 0.0, 0.0, 0.28302401304245, , 10.0, 2.0, 11.0, 6.0, 4.0, 6.0, -0.532000005245209, 1.0, 2.00999999046326, 20.0, 1.66600000858307
-InChI%3D1S%2FC21H28O2%2Fc1-4-21%2823%2912-9-18-16-6-5-14-13-15%2822%297-10-19%2814%2C2%2917%2816%298-11-20%2818%2C21%293%2Fh1%2C13%2C16-18%2C23H%2C5-12H2%2C2-3H3%2Ft16%3F%2C17-%2C18-%2C19%3F%2C20%3F%2C21-%2Fm0%2Fs1, 90.1475982666016, 0.0, 2.0, 1.78356027603149, , 4.0, 1.0, 26.0, 0.0, 2.0, 0.0, 1.33550000190735, 0.0, 3.54999995231628, 51.0, 3.65599989891052
-InChI%3D1S%2FC35H38Cl2N8O4%2Fc1-3-25%282%2945-34%2846%2944%2824-40-45%2929-7-5-27%286-8-29%2941-14-16-42%2817-15-41%2928-9-11-30%2812-10-28%2947-19-31-20-48-35%2849-31%2C21-43-23-38-22-39-43%2932-13-4-26%2836%2918-33%2832%2937%2Fh4-13%2C18%2C22-25%2C31H%2C3%2C14-17%2C19-21H2%2C1-2H3%2Ft25%3F%2C31-%2C35-%2Fm0%2Fs1, 99.0497970581055, 3.0, 4.0, 0.0261468905955553, , 12.0, 3.0, 55.0, 23.0, 4.0, 18.0, -0.161699995398521, 11.0, 3.76999998092651, 89.0, 6.25299978256226
-InChI%3D1S%2FC43H58N4O12%2Fc1-21-12-11-13-22%282%2942%2855%2945-33-28%2820-44-47-17-15-46%289%2916-18-47%2937%2852%2930-31%2838%2833%2953%2936%2851%2926%286%2940-32%2830%2941%2854%2943%288%2C59-40%2957-19-14-29%2856-10%2923%283%2939%2858-27%287%2948%2925%285%2935%2850%2924%284%2934%2821%2949%2Fh11-14%2C19-21%2C23-25%2C29%2C34-35%2C39%2C49-53H%2C15-18H2%2C1-10H3%2C%28H%2C45%2C55%29%2Fb12-11%2B%2C19-14%2B%2C22-13%3F%2C44-20%2B%2Ft21%3F%2C23-%2C24-%2C25-%2C29%3F%2C34%2B%2C35-%2C39-%2C43%2B%2Fm1%2Fs1, 182.721694946289, 2.0, 0.0, 0.328443616628647, , 26.0, 6.0, 63.0, 11.0, 4.0, 10.0, -0.573099970817566, 5.0, 4.42999982833862, 117.0, 2.12199997901917
-InChI%3D1S%2FC19H21NS%2Fc1-20-11-8-15%289-12-20%2919-16-5-3-2-4-14%2816%296-7-18-17%2819%2910-13-21-18%2Fh2-5%2C10%2C13H%2C6-9%2C11-12H2%2C1H3, 51.9118003845215, 1.0, 0.0, 2.6735520362854, , 13.0, 0.0, 24.0, 11.0, 0.0, 11.0, 1.63510000705719, 0.0, 3.32999992370605, 42.0, 5.17000007629395
-InChI%3D1S%2FC8H11NO5S%2Fc1-8%282%296%287%2811%2912%299-4%2810%293-5%289%2915%288%2C13%2914%2Fh5-6H%2C3H2%2C1-2H3%2C%28H%2C11%2C12%29, 48.1198997497559, 0.0, 0.0, 0.484137654304504, , 3.0, 1.0, 16.0, 0.0, 2.0, 0.0, -0.695800006389618, 1.0, 1.57000005245209, 26.0, -1.13199996948242
-InChI%3D1S%2FC21H26ClNO%2Fc1-21%2817-7-4-3-5-8-17%2C18-10-12-19%2822%2913-11-18%2924-16-14-20-9-6-15-23%2820%292%2Fh3-5%2C7-8%2C10-13%2C20H%2C6%2C9%2C14-16H2%2C1-2H3%2Ft20-%2C21-%2Fm1%2Fs1, 45.4220008850098, 1.0, 2.0, 0.000954810006078333, , 6.0, 0.0, 26.0, 12.0, 5.0, 12.0, -0.0308999996632338, 6.0, 3.44000005722046, 50.0, 6.50699996948242
-InChI%3D1S%2FC23H23N2S2.HI%2Fc1-3-24-18-12-8-10-14-20%2818%2926-22%2824%2916-6-5-7-17-23-25%284-2%2919-13-9-11-15-21%2819%2927-23%3B%2Fh5-17H%2C3-4H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1, , 1.0, 5.0, , , 13.0, 1.0, 30.0, 16.0, 5.0, 12.0, , 5.0, 3.44000005722046, 52.0, 8.15499973297119
-InChI%3D1S%2FC17H15ClN4S%2Fc1-3-11-8-13-16%2812-6-4-5-7-14%2812%2918%2919-9-15-21-20-10%282%2922%2815%2917%2813%2923-11%2Fh4-8H%2C3%2C9H2%2C1-2H3, 42.1445999145508, 0.0, 2.0, 0.713180243968964, , 18.0, 0.0, 26.0, 16.0, 2.0, 16.0, 0.844500005245209, 2.0, 2.67000007629395, 38.0, 4.81500005722046
-InChI%3D1S%2FC9H8ClN5S%2Fc10-5-1-2-6-8%2815-16-14-6%297%285%2913-9-11-3-4-12-9%2Fh1-2H%2C3-4H2%2C%28H2%2C11%2C12%2C13%29, 33.8464012145996, 0.0, 0.0, 0.44142735004425, , 13.0, 4.0, 18.0, 10.0, 0.0, 9.0, 0.664399981498718, 2.0, 1.67999994754791, 24.0, 1.56299996376038
-InChI%3D1S%2FC62H86N12O16%2Fc1-27%282%2942-59%2884%2973-23-17-19-36%2873%2957%2882%2969%2813%2925-38%2875%2971%2815%2948%2829%285%296%2961%2886%2988-33%2811%2944%2855%2880%2965-42%2967-53%2878%2935-22-21-31%289%2951-46%2835%2964-47-40%2841%2863%2950%2877%2932%2810%2952%2847%2990-51%2954%2879%2968-45-34%2812%2989-62%2887%2949%2830%287%298%2972%2816%2939%2876%2926-70%2814%2958%2883%2937-20-18-24-74%2837%2960%2885%2943%2828%283%294%2966-56%2845%2981%2Fh21-22%2C27-30%2C33-34%2C36-37%2C42-45%2C48-49H%2C17-20%2C23-26%2C63H2%2C1-16H3%2C%28H%2C65%2C80%29%28H%2C66%2C81%29%28H%2C67%2C78%29%28H%2C68%2C79%29%2Ft33-%2C34-%2C36-%2C37-%2C42%2B%2C43%2B%2C44%3F%2C45%3F%2C48-%2C49-%2Fm0%2Fs1, 289.450012207031, 2.0, 0.0, 29.7897644042969, , 11.0, 6.0, 96.0, 6.0, 3.0, 6.0, -5.45800018310547, 8.0, 5.19999980926514, 182.0, 1.51999998092651
-InChI%3D1S%2FC13H21N3O%2Fc1-3-16%284-2%2910-9-15-13%2817%2911-5-7-12%2814%298-6-11%2Fh5-8H%2C3-4%2C9-10%2C14H2%2C1-2H3%2C%28H%2C15%2C17%29, 43.9669990539551, 0.0, 2.0, 0.413320422172546, , 10.0, 2.0, 17.0, 6.0, 10.0, 6.0, -0.642899990081787, 7.0, 2.45000004768372, 38.0, 1.49199998378754
-InChI%3D1S%2FC21H26NO3.BrH%2Fc1-4-22%283%2C5-2%2914-15-24-21%2823%2920-16-10-6-8-12-18%2816%2925-19-13-9-7-11-17%2819%2920%3B%2Fh6-13%2C20H%2C4-5%2C14-15H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, , 1.0, 2.0, , , 13.0, 0.0, 27.0, 12.0, 11.0, 12.0, , 7.0, 3.22000002861023, 52.0, 5.36299991607666
-InChI%3D1S%2FC25H48N6O8%2Fc1-21%2832%2929%2837%2918-9-3-6-16-27-22%2833%2912-14-25%2836%2931%2839%2920-10-4-7-17-28-23%2834%2911-13-24%2835%2930%2838%2919-8-2-5-15-26%2Fh37-39H%2C2-20%2C26H2%2C1H3%2C%28H%2C27%2C33%29%28H%2C28%2C34%29, 128.918395996094, 2.0, 5.0, 49.2818031311035, , 4.0, 6.0, 38.0, 0.0, 39.0, 0.0, -7.02010011672974, 26.0, 2.67000007629395, 87.0, -1.32000005245209
-InChI%3D1S%2FC5H4N4S%2Fc10-5-3-4%287-1-6-3%298-2-9-5%2Fh1-2H%2C%28H2%2C6%2C7%2C8%2C9%2C10%29, 8.69159984588623, 0.0, 0.0, 0.26112100481987, , 8.0, 2.0, 11.0, 10.0, 0.0, 6.0, 0.510999977588654, 0.0, 1.46000003814697, 13.0, 0.36599999666214
-InChI%3D1S%2FC13H21N5O4.C6H5NO2%2Fc1-15%284-5-19%296-9%2820%297-18-8-14-11-10%2818%2912%2821%2917%283%2913%2822%2916%2811%292%3B8-6%289%295-2-1-3-7-4-5%2Fh8-9%2C19-20H%2C4-7H2%2C1-3H3%3B1-4H%2C%28H%2C8%2C9%29, 72.3654022216797, , 3.0, 2.50367331504822, , 9.0, 3.0, 32.0, 11.0, 9.0, 6.0, -1.58229994773865, 7.0, 2.23000001907349, 57.0, 
-InChI%3D1S%2FC31H46O2%2Fc1-22%282%2912-9-13-23%283%2914-10-15-24%284%2916-11-17-25%285%2920-21-27-26%286%2930%2832%2928-18-7-8-19-29%2828%2931%2827%2933%2Fh7-8%2C18-20%2C22-24H%2C9-17%2C21H2%2C1-6H3%2Fb25-20%2B%2Ft23-%2C24-%2Fm1%2Fs1, 110.625297546387, 2.0, 16.0, 7.52130603790283, , 12.0, 0.0, 34.0, 6.0, 20.0, 6.0, 2.7425000667572, 14.0, 4.65000009536743, 79.0, 12.0109996795654
-InChI%3D1S%2FC21H43N5O7%2Fc1-9%2825-3%2913-6-5-10%2822%2919%2831-13%2932-16-11%2823%297-12%2824%2917%2814%2816%2927%2933-20-15%2828%2918%2826-4%2921%282%2C29%298-30-20%2Fh9-20%2C25-29H%2C5-8%2C22-24H2%2C1-4H3%2Ft9%3F%2C10-%2C11%2B%2C12-%2C13%2B%2C14%2B%2C15-%2C16%3F%2C17%3F%2C18-%2C19%3F%2C20%3F%2C21%3F%2Fm1%2Fs1, 112.545097351074, 2.0, 0.0, 33.2848243713379, , 0.0, 8.0, 35.0, 0.0, 4.0, 0.0, -5.76929998397827, 7.0, 2.45000004768372, 76.0, -2.88000011444092
-InChI%3D1S%2FC9H13NO2%2Fc1-2-9%2812-8%2810%2911%296-4-3-5-7-9%2Fh1H%2C3-7H2%2C%28H2%2C10%2C11%29, 37.5332984924316, 0.0, 2.0, 0.355692952871323, , 4.0, 2.0, 12.0, 0.0, 4.0, 0.0, 0.596400022506714, 2.0, 2.11999988555908, 25.0, 2.34599995613098
-InChI%3D1S%2FC22H29FO5%2Fc1-12-8-16-15-5-4-13-9-14%2825%296-7-19%2813%2C2%2921%2815%2C23%2917%2826%2910-20%2816%2C3%2922%2812%2C28%2918%2827%2911-24%2Fh6-7%2C9%2C12%2C15-17%2C24%2C26%2C28H%2C4-5%2C8%2C10-11H2%2C1-3H3%2Ft12-%2C15%2B%2C16%3F%2C17%2B%2C19%2B%2C20%2B%2C21%3F%2C22%2B%2Fm1%2Fs1, 101.295303344727, 0.0, 2.0, 0.891135990619659, , 6.0, 3.0, 31.0, 0.0, 4.0, 0.0, -0.944000005722046, 2.0, 3.22000002861023, 57.0, 1.13800001144409
-InChI%3D1S%2FC3H8O3%2Fc4-1-3%286%292-5%2Fh3-6H%2C1-2H2, 20.5160999298096, 0.0, 3.0, 1.98274564743042, , 0.0, 3.0, 5.0, 0.0, 6.0, 0.0, -1.40810000896454, 2.0, 1.46000003814697, 14.0, -1.87999999523163
-InChI%3D1S%2FC20H25N3O2%2Fc1-3-14%2811-24%2922-20%2825%2913-7-16-15-5-4-6-17-19%2815%2912%289-21-17%298-18%2816%2923%282%2910-13%2Fh4-7%2C9%2C13-14%2C18%2C21%2C24H%2C3%2C8%2C10-11H2%2C1-2H3%2C%28H%2C22%2C25%29%2Ft13-%2C14%2B%2C18-%2Fm1%2Fs1, 62.1582984924316, 0.0, 4.0, 0.439436405897141, , 9.0, 3.0, 28.0, 10.0, 8.0, 6.0, -0.662899971008301, 4.0, 3.10999989509583, 49.0, 1.82599997520447
-InChI%3D1S%2FC19H21NO4%2Fc1-2-8-20-9-7-18-15-11-3-4-12%2821%2916%2815%2924-17%2818%2913%2822%295-6-19%2818%2C23%2914%2820%2910-11%2Fh2-4%2C14%2C17%2C21%2C23H%2C1%2C5-10H2%2Ft14-%2C17%2B%2C18%2B%2C19-%2Fm1%2Fs1, 64.5262985229492, 0.0, 3.0, 0.719782531261444, , 8.0, 2.0, 28.0, 6.0, 3.0, 6.0, -0.848399996757507, 2.0, 3.0, 45.0, 0.611999988555908
-InChI%3D1S%2FC19H24N2S%2Fc1-4-20%285-2%2915%283%2914-21-16-10-6-8-12-18%2816%2922-19-13-9-7-11-17%2819%2921%2Fh6-13%2C15H%2C4-5%2C14H2%2C1-3H3, 47.5792999267578, 1.0, 3.0, 1.78195798397064, , 13.0, 0.0, 24.0, 12.0, 8.0, 12.0, 1.33490002155304, 5.0, 3.22000002861023, 46.0, 5.30900001525879
-InChI%3D1S%2FC18H18ClNS%2Fc1-20%282%2911-5-7-14-15-6-3-4-8-17%2815%2921-18-10-9-13%2819%2912-16%2814%2918%2Fh3-4%2C6-10%2C12H%2C5%2C11H2%2C1-2H3, 44.4227981567383, 0.0, 3.0, 2.39785218238831, , 14.0, 0.0, 23.0, 12.0, 6.0, 12.0, 1.54849994182587, 3.0, 3.10999989509583, 39.0, 4.95599985122681
-InChI%3D1S%2FC11H13N3O3S%2Fc1-7-8%282%2913-17-11%287%2914-18%2815%2C16%2910-5-3-9%2812%294-6-10%2Fh3-6%2C14H%2C12H2%2C1-2H3, 28.217399597168, 0.0, 0.0, 0.576080977916718, , 11.0, 3.0, 19.0, 11.0, 4.0, 6.0, -0.75900000333786, 3.0, 1.89999997615814, 31.0, 1.45799994468689
-InChI%3D1S%2FC14H14N8O4S3%2Fc1-6-17-18-14%2829-6%2928-4-7-3-27-12-9%2811%2824%2922%2812%2910%287%2913%2825%2926%2916-8%2823%292-21-5-15-19-20-21%2Fh5%2C9%2C12H%2C2-4H2%2C1H3%2C%28H%2C16%2C23%29%28H%2C25%2C26%29%2Ft9%3F%2C12-%2Fm1%2Fs1, 84.2273025512695, 1.0, 2.0, 0.252003997564316, , 8.0, 2.0, 32.0, 10.0, 4.0, 5.0, 0.501999974250793, 7.0, 1.35000002384186, 43.0, -0.851000010967255
-InChI%3D1S%2FC15H17N5O6S2%2Fc1-25-3-6-4-27-13-9%2812%2822%2920%2813%2910%286%2914%2823%2924%2918-11%2821%298%2819-26-2%297-5-28-15%2816%2917-7%2Fh5%2C9%2C13H%2C3-4H2%2C1-2H3%2C%28H2%2C16%2C17%29%28H%2C18%2C21%29%28H%2C23%2C24%29%2Fb19-8%2B%2Ft9-%2C13-%2Fm1%2Fs1, 101.044502258301, 0.0, 2.0, 0.0698016434907913, , 8.0, 4.0, 30.0, 0.0, 7.0, 0.0, -0.264200001955032, 7.0, 1.67999994754791, 47.0, -0.158999994397163
-InChI%3D1S%2FC32H53N2O4.BrH%2Fc1-5-14-34%2815-6-7-16-34%2928-20-26-24-9-8-23-19-29%2836%2927%2833-12-17-37-18-13-33%2921-32%2823%2C4%2925%2824%2910-11-31%2826%2C3%2930%2828%2938-22%282%2935%3B%2Fh5%2C23-30%2C36H%2C1%2C6-21H2%2C2-4H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft23-%2C24%3F%2C25-%2C26%3F%2C27-%2C28%3F%2C29-%2C30-%2C31-%2C32-%3B%2Fm0.%2Fs1, , 1.0, 3.0, , , 3.0, 1.0, 43.0, 0.0, 4.0, 0.0, , 6.0, 4.21000003814697, 92.0, 5.88000011444092
-InChI%3D1S%2FC13H12N8O4S3%2Fc22-7%281-20-4-14-18-19-20%2916-8-10%2823%2921-9%2812%2824%2925%296%282-26-11%288%2921%293-27-13-17-15-5-28-13%2Fh4-5%2C8%2C11H%2C1-3H2%2C%28H%2C16%2C22%29%28H%2C24%2C25%29%2Ft8%3F%2C11-%2Fm1%2Fs1, 78.3285980224609, 1.0, 2.0, 0.203130483627319, , 8.0, 2.0, 31.0, 10.0, 4.0, 5.0, 0.450700014829636, 7.0, 1.24000000953674, 40.0, -1.34800004959106
-InChI%3D1S%2FC8H17NO%2Fc1-3-5-7%286-4-2%298%289%2910%2Fh7H%2C3-6H2%2C1-2H3%2C%28H2%2C9%2C10%29, 38.622200012207, 0.0, 7.0, 0.0355322510004044, , 3.0, 2.0, 9.0, 0.0, 10.0, 0.0, -0.188500002026558, 5.0, 2.11999988555908, 27.0, 3.14800000190735
-InChI%3D1S%2FC17H23NO2%2Fc1-4-20-16%2819%2917%2814-10-6-5-7-11-14%2913-9-8-12-15%2817%2918%282%293%2Fh5-8%2C10-12%2C15H%2C4%2C9%2C13H2%2C1-3H3%2Ft15-%2C17%3F%2Fm1%2Fs1, 56.2277984619141, 0.0, 2.0, 0.714025020599365, , 6.0, 0.0, 21.0, 6.0, 5.0, 6.0, 0.845000028610229, 5.0, 3.0, 43.0, 4.54500007629395
-InChI%3D1S%2FC20H27NO3%2Fc1-18-7-6-14-12%2813%2818%293-4-15%2818%2922%295-8-20-17%2824-20%2916%2823%2911%2810-21%299-19%2814%2C20%292%2Fh12-15%2C17%2C22-23H%2C3-9H2%2C1-2H3%2Ft12-%2C13-%2C14%3F%2C15-%2C17%2B%2C18%3F%2C19%2B%2C20%2B%2Fm0%2Fs1, 86.5641021728516, 0.0, 0.0, 0.0276889596134424, , 5.0, 2.0, 28.0, 0.0, 2.0, 0.0, 0.166400000452995, 0.0, 3.22000002861023, 51.0, 2.64400005340576
-InChI%3D1S%2FC20H26N2%2Fc1-16%2814-21%282%293%2915-22-19-10-6-4-8-17%2819%2912-13-18-9-5-7-11-20%2818%2922%2Fh4-11%2C16H%2C12-15H2%2C1-3H3, 44.8799018859863, 1.0, 3.0, 0.262553751468658, , 13.0, 0.0, 24.0, 12.0, 7.0, 12.0, 0.512399971485138, 4.0, 3.44000005722046, 48.0, 5.54099988937378
-InChI%3D1S%2FC22H22FN3O3%2Fc23-17-7-5-15%286-8-17%2920%2827%2916-9-11-25%2812-10-16%2913-14-26-21%2828%2918-3-1-2-4-19%2818%2924-22%2826%2929%2Fh1-8%2C16H%2C9-14H2%2C%28H%2C24%2C29%29, 54.1040992736816, 0.0, 2.0, 1.54330933094025, , 10.0, 2.0, 32.0, 12.0, 2.0, 12.0, -1.24230003356934, 5.0, 3.10999989509583, 53.0, 3.03399991989136
-InChI%3D1S%2FC20H14I6N2O6%2Fc21-7-5-9%2823%2917%2815%2825%2913%287%2919%2831%2932%2927-11%2829%293-1-2-4-12%2830%2928-18-10%2824%296-8%2822%2914%2816%2818%2926%2920%2833%2934%2Fh5-6H%2C1-4H2%2C%28H%2C27%2C29%29%28H%2C28%2C30%29%28H%2C31%2C32%29%28H%2C33%2C34%29, 129.990203857422, 1.0, 6.0, 54.3375396728516, , 12.0, 4.0, 35.0, 12.0, 10.0, 12.0, 7.37139987945557, 9.0, 2.11999988555908, 48.0, 7.7020001411438
-InChI%3D1S%2FC10H14N5O7P%2Fc11-8-5-9%2813-2-12-8%2915%283-14-5%2910-7%2817%296%2816%294%2822-10%291-21-23%2818%2C19%2920%2Fh2-4%2C6-7%2C10%2C16-17H%2C1H2%2C%28H2%2C11%2C12%2C13%29%28H2%2C18%2C19%2C20%29%2Ft4%3F%2C6-%2C7%3F%2C10-%2Fm1%2Fs1, 44.8157005310059, 1.0, 0.0, 4.9057822227478, , 9.0, 6.0, 25.0, 10.0, 6.0, 6.0, -2.21490001678467, 4.0, 1.12999999523163, 37.0, -3.46700000762939
-InChI%3D1S%2FC14H17N5O3%2Fc1-2-18-8-10%2813%2821%2922%2911%2820%299-7-16-14%2817-12%289%2918%2919-5-3-15-4-6-19%2Fh7-8%2C15H%2C2-6H2%2C1H3%2C%28H%2C21%2C22%29, 58.834400177002, 0.0, 2.0, 0.398918569087982, , 10.0, 2.0, 24.0, 6.0, 2.0, 6.0, -0.631600022315979, 3.0, 2.11999988555908, 41.0, -0.797999978065491
-InChI%3D1S%2FC14H30N2O4.2ClH%2Fc1-15%282%2C3%299-11-19-13%2817%297-8-14%2818%2920-12-10-16%284%2C5%296%3B%3B%2Fh7-12H2%2C1-6H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2, , 1.0, 4.0, , , 3.0, 0.0, 19.0, 0.0, 20.0, 0.0, , 11.0, 2.11999988555908, 52.0, 0.280000001192093
-InChI%3D1S%2FC16H19N3O5S%2Fc1-24-9-7-25-15-11%2814%2821%2919%2815%2912%289%2916%2822%2923%2918-13%2820%2910%2817%298-5-3-2-4-6-8%2Fh2-3%2C6%2C10-11%2C15H%2C4-5%2C7%2C17H2%2C1H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft10-%2C11-%2C15-%2Fm1%2Fs1, 95.0149993896484, 0.0, 2.0, 0.409472018480301, , 9.0, 3.0, 27.0, 0.0, 5.0, 0.0, -0.639900028705597, 5.0, 2.23000001907349, 44.0, -2.65499997138977
-InChI%3D1S%2FC27H30O6%2Fc1-19%282%2913-15-31-22-8-5-21%286-9-22%297-12-25%2828%2924-11-10-23%2832-16-14-20%283%294%2917-26%2824%2933-18-27%2829%2930%2Fh5-14%2C17H%2C15-16%2C18H2%2C1-4H3%2C%28H%2C29%2C30%29, 81.8579025268555, 2.0, 4.0, 5.424241065979, , 19.0, 1.0, 34.0, 12.0, 6.0, 12.0, 2.3289999961853, 12.0, 3.76999998092651, 63.0, 5.67600011825562
-InChI%3D1S%2FC28H31NO5%2Fc1-18-6-10-20%2811-7-18%2926%2831%2933-24-15-14-22%2823%2830%2917-29-28%283%2C4%295%2916-25%2824%2934-27%2832%2921-12-8-19%282%299-13-21%2Fh6-16%2C23%2C29-30H%2C17H2%2C1-5H3, 57.062801361084, 1.0, 2.0, 1.47841286659241, , 24.0, 2.0, 36.0, 18.0, 8.0, 18.0, 1.21589994430542, 10.0, 3.88000011444092, 65.0, 8.41899967193604
-InChI%3D1S%2FC17H19N5%2Fc1-16%282%2C9-18%2914-5-13%288-22-12-20-11-21-22%296-15%287-14%2917%283%2C4%2910-19%2Fh5-7%2C11-12H%2C8H2%2C1-4H3, 47.2568016052246, 0.0, 3.0, 3.69639086723328, , 6.0, 2.0, 23.0, 11.0, 5.0, 6.0, 1.92260003089905, 4.0, 2.77999997138977, 41.0, 1.88499999046326
-InChI%3D1S%2FC7H13BrN2O2%2Fc1-3-7%288%2C4-2%295%2811%2910-6%289%2912%2Fh3-4H2%2C1-2H3%2C%28H3%2C9%2C10%2C11%2C12%29, 45.2765998840332, 0.0, 5.0, 0.0257602501660585, , 6.0, 3.0, 11.0, 0.0, 12.0, 0.0, -0.160500004887581, 4.0, 1.67999994754791, 25.0, 1.60300004482269
-InChI%3D1S%2FC20H30O%2Fc1-16%288-6-9-17%282%2913-15-21%2911-12-19-18%283%2910-7-14-20%2819%2C4%295%2Fh6%2C8-9%2C11-13%2C21H%2C7%2C10%2C14-15H2%2C1-5H3, 96.7628021240234, 1.0, 9.0, 14.3254680633545, , 10.0, 1.0, 21.0, 0.0, 12.0, 0.0, 3.78489995002747, 5.0, 3.54999995231628, 51.0, 6.15799999237061
-InChI%3D1S%2FC21H27NO%2Fc23-21%2819-11-4-1-5-12-19%2C20-13-6-2-7-14-20%2915-10-18-22-16-8-3-9-17-22%2Fh1-2%2C4-7%2C11-14%2C23H%2C3%2C8-10%2C15-18H2, 38.0004005432129, 1.0, 4.0, 2.5395610332489, , 6.0, 1.0, 25.0, 12.0, 5.0, 12.0, -1.59360003471375, 6.0, 3.54999995231628, 50.0, 6.7810001373291
-InChI%3D1S%2FC22H26NO3.BrH%2Fc1-23-14-12-17%2813-15-23%2920%2816-23%2926-21%2824%2922%2825%2C18-8-4-2-5-9-18%2919-10-6-3-7-11-19%3B%2Fh2-11%2C17%2C20%2C25H%2C12-16H2%2C1H3%3B1H%2Fq%2B1%3B%2Fp-1, , 1.0, 2.0, , , 6.0, 1.0, 29.0, 12.0, 5.0, 12.0, , 5.0, 3.32999992370605, 53.0, 5.88700008392334
-InChI%3D1S%2FC21H26N2S2%2Fc1-22-13-6-5-7-16%2822%2912-14-23-18-8-3-4-9-20%2818%2925-21-11-10-17%2824-2%2915-19%2821%2923%2Fh3-4%2C8-11%2C15-16H%2C5-7%2C12-14H2%2C1-2H3, 57.2450981140137, 1.0, 2.0, 0.0542889982461929, , 13.0, 0.0, 28.0, 12.0, 2.0, 12.0, 0.232999995350838, 4.0, 3.32999992370605, 51.0, 5.62900018692017
-InChI%3D1S%2FC10H12ClN3O3S%2Fc1-2-9-13-7-4-6%2811%298%2818%2812%2C16%2917%293-5%287%2910%2815%2914-9%2Fh3-4%2C9%2C13H%2C2H2%2C1H3%2C%28H%2C14%2C15%29%28H2%2C12%2C16%2C17%29, 40.5528984069824, 0.0, 2.0, 1.83277440071106, , 14.0, 2.0, 19.0, 6.0, 3.0, 6.0, -1.35380005836487, 2.0, 1.67999994754791, 30.0, 0.592000007629395
-InChI%3D1S%2FC15H23N3O3S%2Fc1-15%282%2911%2814%2820%2921%2918-12%2819%2910%2813%2818%2922-15%2916-9-17-7-5-3-4-6-8-17%2Fh9-11%2C13H%2C3-8H2%2C1-2H3%2C%28H%2C20%2C21%29%2Fb16-9%2B%2Ft10-%2C11%2B%2C13-%2Fm1%2Fs1, 77.1671981811523, 0.0, 0.0, 2.39073443412781, , 3.0, 1.0, 24.0, 0.0, 2.0, 0.0, -1.54620003700256, 3.0, 2.33999991416931, 45.0, 1.43499994277954
-InChI%3D1S%2FC20H30O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh12%2C15-18%2C22H%2C3-11H2%2C1-2H3%2Ft15-%2C16%2B%2C17%3F%2C18-%2C19-%2C20-%2Fm0%2Fs1, 85.4602966308594, 0.0, 2.0, 0.00262143998406827, , 4.0, 1.0, 25.0, 0.0, 2.0, 0.0, -0.0511999987065792, 1.0, 3.44000005722046, 52.0, 3.99799990653992
-InChI%3D1S%2FC16H22FNO%2Fc1-13-8-11-18%2812-9-13%2910-2-3-16%2819%2914-4-6-15%2817%297-5-14%2Fh4-7%2C13H%2C2-3%2C8-12H2%2C1H3, 45.0723991394043, 0.0, 4.0, 0.186537608504295, , 8.0, 0.0, 20.0, 6.0, 5.0, 6.0, -0.43189999461174, 5.0, 2.89000010490417, 41.0, 3.67000007629395
-InChI%3D1S%2FC7H6ClN3O4S2%2Fc8-4-1-5-7%282-6%284%2916%289%2C12%2913%2917%2814%2C15%2911-3-10-5%2Fh1-3H%2C%28H%2C10%2C11%29%28H2%2C9%2C12%2C13%29, 35.4497985839844, 0.0, 0.0, 1.35233640670776, , 16.0, 2.0, 18.0, 6.0, 3.0, 6.0, -1.1628999710083, 1.0, 1.12999999523163, 23.0, -0.725000023841858
-InChI%3D1S%2FC18H23N9O4S3%2Fc1-25%282%293-4-26-18%2822-23-24-26%2934-7-9-6-32-15-12%2814%2829%2927%2815%2913%289%2916%2830%2931%2921-11%2828%295-10-8-33-17%2819%2920-10%2Fh8%2C12%2C15H%2C3-7H2%2C1-2H3%2C%28H2%2C19%2C20%29%28H%2C21%2C28%29%28H%2C30%2C31%29%2Ft12-%2C15-%2Fm1%2Fs1, 118.841400146484, 1.0, 2.0, 0.867319703102112, , 8.0, 7.0, 37.0, 5.0, 5.0, 0.0, 0.931299984455109, 10.0, 1.67999994754791, 59.0, -0.474000006914139
-InChI%3D1S%2FC10H17NO2%2Fc1-4-10%285-2%298%2812%297%283%296-11-9%2810%2913%2Fh7H%2C4-6H2%2C1-3H3%2C%28H%2C11%2C13%29, 51.0233993530273, 0.0, 2.0, 0.00036864000139758, , 3.0, 1.0, 13.0, 0.0, 2.0, 0.0, -0.0192000009119511, 2.0, 2.23000001907349, 30.0, 1.56900000572205
-InChI%3D1S%2FC20H24N2O2%2Fc1-3-13-12-22-9-7-14%2813%2910-19%2822%2920%2823%2916-6-8-21-18-5-4-15%2824-2%2911-17%2816%2918%2Fh3-6%2C8%2C11%2C13-14%2C19-20%2C23H%2C1%2C7%2C9-10%2C12H2%2C2H3%2Ft13-%2C14%3F%2C19%2B%2C20-%2Fm0%2Fs1, 52.1147994995117, 0.0, 2.0, 0.263784974813461, , 11.0, 1.0, 27.0, 11.0, 2.0, 10.0, -0.513599991798401, 4.0, 3.22000002861023, 48.0, 2.66199994087219
-InChI%3D1S%2FC32H40BrN5O5%2Fc1-16%282%2912-24-29%2840%2937-11-7-10-25%2837%2932%2842%2938%2824%2930%2841%2931%2843-32%2C17%283%294%2935-28%2839%2918-13-20-19-8-6-9-22-26%2819%2921%2827%2833%2934-22%2914-23%2820%2936%285%2915-18%2Fh6%2C8-9%2C13%2C16-18%2C23-25%2C34%2C42H%2C7%2C10-12%2C14-15H2%2C1-5H3%2C%28H%2C35%2C39%29%2Ft18-%2C23-%2C24%2B%2C25%2B%2C31-%2C32%3F%2Fm1%2Fs1, 126.259002685547, 0.0, 3.0, 0.235322013497353, , 9.0, 3.0, 49.0, 10.0, 4.0, 6.0, 0.485100001096725, 5.0, 3.76999998092651, 82.0, 3.7590000629425
-InChI%3D1S%2FC18H14N4O5S%2Fc23-16-9-6-13%2811-15%2816%2918%2824%2925%2921-20-12-4-7-14%288-5-12%2928%2826%2C27%2922-17-3-1-2-10-19-17%2Fh1-11%2C23H%2C%28H%2C19%2C22%29%28H%2C24%2C25%29, 20.925500869751, 0.0, 0.0, 2.67845964431763, , 28.0, 3.0, 30.0, 18.0, 4.0, 18.0, -1.63660001754761, 6.0, 2.33999991416931, 42.0, 4.29099988937378
-InChI%3D1S%2FC5H7N5S%2Fc6-5-9-3-2%284%2811%2910-5%297-1-8-3%2Fh1-2%2C4%2C11H%2C%28H3%2C6%2C7%2C8%2C9%2C10%29, 39.9412002563477, 0.0, 0.0, 0.395766824483871, , 8.0, 3.0, 12.0, 0.0, 0.0, 0.0, -0.629100024700165, 0.0, 1.35000002384186, 18.0, -0.379999995231628
-InChI%3D1S%2FC22H29FO5%2Fc1-12-8-16-15-5-4-13-9-14%2825%296-7-19%2813%2C2%2921%2815%2C23%2917%2826%2910-20%2816%2C3%2922%2812%2C28%2918%2827%2911-24%2Fh6-7%2C9%2C12%2C15-17%2C24%2C26%2C28H%2C4-5%2C8%2C10-11H2%2C1-3H3%2Ft12-%2C15-%2C16%3F%2C17-%2C19-%2C20-%2C21%3F%2C22-%2Fm0%2Fs1, 101.295303344727, 0.0, 2.0, 0.891135990619659, , 6.0, 3.0, 31.0, 0.0, 4.0, 0.0, -0.944000005722046, 2.0, 3.22000002861023, 57.0, 1.13800001144409
-InChI%3D1S%2FC18H19N3O3S.C4H4O4%2Fc1-21%2816-4-2-3-9-19-16%2910-11-24-14-7-5-13%286-8-14%2912-15-17%2822%2920-18%2823%2925-15%3B5-3%286%291-2-4%287%298%2Fh2-9%2C15H%2C10-12H2%2C1H3%2C%28H%2C20%2C22%2C23%29%3B1-2H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29%2Fb%3B2-1-, 73.4458999633789, , 4.0, 0.00602175993844867, , 8.0, 3.0, 34.0, 12.0, 8.0, 12.0, -0.0776000022888184, 9.0, 2.67000007629395, 56.0, 
-InChI%3D1S%2FC16H38N2.2BrH%2Fc1-17%282%2C3%2915-13-11-9-7-8-10-12-14-16-18%284%2C5%296%3B%3B%2Fh7-16H2%2C1-6H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2, , 1.0, 10.0, , , 0.0, 0.0, 17.0, 0.0, 18.0, 0.0, , 11.0, 2.77999997138977, 58.0, 4.94199991226196
-InChI%3D1S%2FC19H18ClN3O5S%2Fc1-8-11%2812%2822-28-8%299-6-4-5-7-10%289%2920%2915%2824%2921-13-16%2825%2923-14%2818%2826%2927%2919%282%2C3%2929-17%2813%2923%2Fh4-7%2C13-14%2C17H%2C1-3H3%2C%28H%2C21%2C24%29%28H%2C26%2C27%29%2Ft13-%2C14%2B%2C17-%2Fm0%2Fs1, 67.4889984130859, 0.0, 0.0, 1.15820646286011, , 6.0, 3.0, 32.0, 11.0, 3.0, 6.0, 1.07620000839233, 4.0, 2.45000004768372, 47.0, 2.75699996948242
-InChI%3D1S%2FC21H31N5O2%2Fc27-18-16-21%286-1-2-7-21%2917-19%2828%2926%2818%2911-4-3-10-24-12-14-25%2815-13-24%2920-22-8-5-9-23-20%2Fh5%2C8-9H%2C1-4%2C6-7%2C10-17H2, 79.5483016967773, 0.0, 4.0, 3.95890617370605, , 7.0, 0.0, 31.0, 6.0, 4.0, 6.0, -1.98969995975494, 6.0, 3.0, 59.0, 2.15400004386902
-InChI%3D1S%2FC16H19ClN2%2Fc1-19%282%2912-10-15%2816-5-3-4-11-18-16%2913-6-8-14%2817%299-7-13%2Fh3-9%2C11%2C15H%2C10%2C12H2%2C1-2H3, 31.1037006378174, 0.0, 3.0, 0.424321949481964, , 6.0, 0.0, 20.0, 12.0, 6.0, 12.0, 0.651400029659271, 5.0, 2.89000010490417, 38.0, 4.28800010681152
-InChI%3D1S%2FC17H20F6N2O3%2Fc18-16%2819%2C20%299-27-12-4-5-14%2828-10-17%2821%2C22%2923%2913%287-12%2915%2826%2925-8-11-3-1-2-6-24-11%2Fh4-5%2C7%2C11%2C24H%2C1-3%2C6%2C8-10H2%2C%28H%2C25%2C26%29, 58.6785011291504, 0.0, 2.0, 0.0863184407353401, , 11.0, 2.0, 29.0, 6.0, 6.0, 6.0, 0.293799996376038, 9.0, 2.11999988555908, 48.0, 4.71799993515015
-InChI%3D1S%2FC22H23F4NO2%2Fc23-19-8-6-16%287-9-19%2920%2828%295-2-12-27-13-10-21%2829%2C11-14-27%2917-3-1-4-18%2815-17%2922%2824%2C25%2926%2Fh1%2C3-4%2C6-9%2C15%2C29H%2C2%2C5%2C10-14H2, 47.839298248291, 1.0, 4.0, 0.0451137609779835, , 8.0, 1.0, 31.0, 12.0, 5.0, 12.0, -0.212400004267693, 7.0, 3.10999989509583, 52.0, 5.72599983215332
-InChI%3D1S%2FC19H21N3O5%2Fc1-9%282%2926-19%2824%2915-11%284%2920-10%283%2914%2818%2823%2925-5%2916%2815%2912-7-6-8-13-17%2812%2922-27-21-13%2Fh6-9%2C16%2C20H%2C1-5H3, 70.3593978881836, 0.0, 0.0, 4.09599997510668e-05, , 11.0, 3.0, 29.0, 10.0, 6.0, 6.0, -0.0063999998383224, 6.0, 2.67000007629395, 48.0, 3.70300006866455
-InChI%3D1S%2FC12H14N4O3S%2Fc1-2-16-8-7-11%2814-12%2816%2917%2915-20%2818%2C19%2910-5-3-9%2813%294-6-10%2Fh3-8H%2C2%2C13H2%2C1H3%2C%28H%2C14%2C15%2C17%29, 46.0980987548828, 0.0, 2.0, 4.43355131149292, , 11.0, 3.0, 21.0, 6.0, 4.0, 6.0, -2.10560011863708, 4.0, 1.89999997615814, 38.0, 1.125
-InChI%3D1S%2FC18H19ClN4%2Fc1-22-8-10-23%2811-9-22%2918-14-4-2-3-5-15%2814%2920-16-7-6-13%2819%2912-17%2816%2921-18%2Fh2-7%2C12%2C20H%2C8-11H2%2C1H3, 45.0577011108398, 0.0, 0.0, 8.46399998408742e-05, , 16.0, 1.0, 26.0, 12.0, 0.0, 12.0, 0.00920000020414591, 1.0, 2.89000010490417, 42.0, 4.32299995422363
-InChI%3D1S%2FC20H26O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C16-18%2C22H%2C4-12H2%2C2H3%2Ft16-%2C17%3F%2C18%2B%2C19%2B%2C20%2B%2Fm1%2Fs1, 85.42919921875, 0.0, 2.0, 1.01848459243774, , 2.0, 1.0, 25.0, 0.0, 2.0, 0.0, 1.00919997692108, 0.0, 3.44000005722046, 48.0, 2.48000001907349
-InChI%3D1S%2FC4H3IN2OS%2Fc5-2-1-6-4%289%297-3%282%298%2Fh1H%2C%28H2%2C6%2C7%2C8%2C9%29, 25.2024002075195, 0.0, 0.0, 2.16325259208679, , 7.0, 1.0, 9.0, 6.0, 0.0, 6.0, 1.4708000421524, 0.0, 1.35000002384186, 12.0, 1.06299996376038
-InChI%3D1S%2FC22H31NO%2Fc1-16%282%2923%2817%283%294%2914-13-20%2819-9-7-6-8-10-19%2921-15-18%285%2911-12-22%2821%2924%2Fh6-12%2C15-17%2C20%2C24H%2C13-14H2%2C1-5H3, 52.7588005065918, 1.0, 3.0, 0.0116640003398061, , 7.0, 1.0, 25.0, 12.0, 10.0, 12.0, -0.108000002801418, 7.0, 3.66000008583069, 55.0, 7.80600023269653
-InChI%3D1S%2FC23H31NO2%2Fc1-6-22%2826-19%283%2925%2923%2817-18%282%2924%284%295%2C20-13-9-7-10-14-20%2921-15-11-8-12-16-21%2Fh7-16%2C18%2C22H%2C6%2C17H2%2C1-5H3%2Ft18-%2C22-%2Fm0%2Fs1, 54.9981994628906, 1.0, 7.0, 0.208848997950554, , 6.0, 0.0, 27.0, 12.0, 14.0, 12.0, -0.456999987363815, 9.0, 3.66000008583069, 57.0, 8.5939998626709
-InChI%3D1S%2FC16H21NO2%2Fc1-12%282%2917-10-14%2818%2911-19-16-9-5-7-13-6-3-4-8-15%2813%2916%2Fh3-9%2C12%2C14%2C17-18H%2C10-11H2%2C1-2H3, 35.5013008117676, 0.0, 3.0, 1.01969599723816, , 11.0, 2.0, 20.0, 11.0, 9.0, 10.0, -1.00979995727539, 6.0, 2.89000010490417, 40.0, 4.05299997329712
-InChI%3D1S%2FC25H27ClN2%2Fc1-20-6-5-7-21%2818-20%2919-27-14-16-28%2817-15-27%2925%2822-8-3-2-4-9-22%2923-10-12-24%2826%2913-11-23%2Fh2-13%2C18%2C25H%2C14-17%2C19H2%2C1H3, 43.8726005554199, 1.0, 0.0, 2.01725220680237, , 6.0, 0.0, 31.0, 18.0, 0.0, 18.0, 1.42030000686646, 5.0, 3.88000011444092, 55.0, 8.25300025939941
-InChI%3D1S%2FC10H17N%2Fc11-10-4-7-1-8%285-10%293-9%282-7%296-10%2Fh7-9H%2C1-6%2C11H2, 44.1259002685547, 0.0, 0.0, 2.4922935962677, , 0.0, 1.0, 13.0, 0.0, 0.0, 0.0, -1.5786999464035, 0.0, 2.45000004768372, 28.0, 2.31200003623962
-InChI%3D1S%2FC17H21NO%2Fc1-18%282%2912-13-19-17-11-7-6-10-16%2817%2914-15-8-4-3-5-9-15%2Fh3-11H%2C12-14H2%2C1-2H3, 29.9358997344971, 1.0, 2.0, 0.294957607984543, , 7.0, 0.0, 20.0, 12.0, 6.0, 12.0, 0.543099999427795, 6.0, 3.10999989509583, 40.0, 6.00400018692017
-InChI%3D1S%2FC4H3FN2O2%2Fc5-2-1-6-4%289%297-3%282%298%2Fh1H%2C%28H2%2C6%2C7%2C8%2C9%29, 6.00169992446899, 0.0, 0.0, 0.194392815232277, , 8.0, 2.0, 9.0, 6.0, 0.0, 6.0, -0.4408999979496, 0.0, 1.35000002384186, 12.0, -0.503000020980835
-InChI%3D1S%2FC12H21NO8S%2Fc1-10%282%2918-7-5-16-12%286-17-22%2813%2C14%2915%299%288%287%2919-10%2920-11%283%2C4%2921-12%2Fh7-9H%2C5-6H2%2C1-4H3%2C%28H2%2C13%2C14%2C15%29%2Ft7-%2C8%3F%2C9%2B%2C12%3F%2Fm1%2Fs1, 70.7020034790039, 0.0, 0.0, 2.36359882354736, , 5.0, 1.0, 24.0, 0.0, 6.0, 0.0, -1.53740000724792, 3.0, 1.67999994754791, 43.0, -1.2039999961853
-InChI%3D1S%2FC10H17N3O6S%2Fc11-5%2810%2818%2919%291-2-7%2814%2913-6%284-20%299%2817%2912-3-8%2815%2916%2Fh5-6%2C20H%2C1-4%2C11H2%2C%28H%2C12%2C17%29%28H%2C13%2C14%29%28H%2C15%2C16%29%28H%2C18%2C19%29%2Ft5-%2C6-%2Fm0%2Fs1, 67.6856994628906, 0.0, 5.0, 2.68730449676514, , 3.0, 5.0, 19.0, 0.0, 20.0, 0.0, -1.63929998874664, 9.0, 1.46000003814697, 37.0, -3.9779999256134
-InChI%3D1S%2FC17H14ClFN2O3%2Fc18-10-5-6-14-12%289-10%2915%2811-3-1-2-4-13%2811%2919%2920-16%2823%2917%2824%2921%2814%297-8-22%2Fh1-6%2C9%2C16%2C22-23H%2C7-8H2, 38.2821006774902, 0.0, 2.0, 0.0762864425778389, , 17.0, 2.0, 26.0, 12.0, 3.0, 12.0, -0.276199996471405, 3.0, 2.55999994277954, 38.0, 2.74799990653992
-InChI%3D1S%2FC11H18N2O2S%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 64.2546997070312, 0.0, 5.0, 0.00521284015849233, , 8.0, 2.0, 16.0, 0.0, 5.0, 0.0, -0.0722000002861023, 4.0, 2.11999988555908, 34.0, 2.61400008201599
-InChI%3D1S%2FC9H11FN2O5%2Fc1-3-5%2813%296%2814%298%2817-3%2912-2-4%2810%297%2815%2911-9%2812%2916%2Fh2-3%2C5-6%2C8%2C13-14H%2C1H3%2C%28H%2C11%2C15%2C16%29%2Ft3%3F%2C5-%2C6-%2C8%3F%2Fm1%2Fs1, 50.6855010986328, 0.0, 0.0, 2.42518329620361, , 4.0, 4.0, 18.0, 0.0, 0.0, 0.0, -1.55729997158051, 1.0, 1.57000005245209, 32.0, -1.432000041008
-InChI%3D1S%2FC17H18F3NO%2Fc1-21-12-11-16%2813-5-3-2-4-6-13%2922-15-9-7-14%288-10-15%2917%2818%2C19%2920%2Fh2-10%2C16%2C21H%2C11-12H2%2C1H3, 28.0720996856689, 1.0, 3.0, 0.0894608125090599, , 7.0, 1.0, 23.0, 12.0, 6.0, 12.0, 0.299100011587143, 7.0, 2.77999997138977, 40.0, 6.38299989700317
-InChI%3D1S%2FC8H10N4O2%2Fc1-10-4-9-6-5%2810%297%2813%2912%283%298%2814%2911%286%292%2Fh4H%2C1-3H3, 34.872200012207, 0.0, 0.0, 0.185847207903862, , 6.0, 1.0, 15.0, 5.0, 0.0, 0.0, -0.431100010871887, 0.0, 1.67999994754791, 24.0, -0.625
-InChI%3D1S%2FC27H36O7%2Fc1-6-23%2832%2934-27%2822%2831%2914-33-16%283%2928%2910-8-19-18-11-15%282%2920-12-17%2829%297-9-25%2820%2C4%2924%2818%2921%2830%2913-26%2819%2C27%295%2Fh7%2C9%2C12%2C15%2C18-19%2C21%2C24%2C30H%2C6%2C8%2C10-11%2C13-14H2%2C1-5H3%2Ft15-%2C18-%2C19%3F%2C21%2B%2C24%3F%2C25-%2C26-%2C27-%2Fm0%2Fs1, 124.605598449707, 0.0, 3.0, 0.0211702492088079, , 6.0, 1.0, 37.0, 0.0, 7.0, 0.0, -0.145500004291534, 7.0, 3.66000008583069, 70.0, 2.8289999961853
-InChI%3D1S%2FC6H12F2N2O2%2Fc7-4%288%296%2810%2C5%2811%2912%292-1-3-9%2Fh4H%2C1-3%2C9-10H2%2C%28H%2C11%2C12%29, 35.5870018005371, 0.0, 5.0, 2.07792234420776, , 3.0, 3.0, 11.0, 0.0, 12.0, 0.0, -1.44149994850159, 5.0, 1.46000003814697, 24.0, -2.71099996566772
-InChI%3D1S%2FC28H28N2O2%2Fc29-22-28%2824-12-6-2-7-13-24%2C25-14-8-3-9-15-25%2918-21-30-19-16-27%2817-20-30%2C26%2831%2932%2923-10-4-1-5-11-23%2Fh1-15H%2C16-21H2%2C%28H%2C31%2C32%29, 49.048900604248, 1.0, 4.0, 0.0168740097433329, , 6.0, 1.0, 35.0, 18.0, 5.0, 18.0, -0.129899993538857, 7.0, 4.09999990463257, 60.0, 9.4040002822876
-InChI%3D1S%2FC23H28N2O3%2Fc1-16-13-19-20%2825-16%2911-8-12-21%2819%2927-15-18%2814-24-23%282%2C3%294%2928-22%2826%2917-9-6-5-7-10-17%2Fh5-13%2C18%2C24-25H%2C14-15H2%2C1-4H3, 49.2661018371582, 1.0, 3.0, 0.608868062496185, , 9.0, 2.0, 30.0, 16.0, 12.0, 12.0, 0.78030002117157, 9.0, 3.44000005722046, 55.0, 6.13199996948242
-InChI%3D1S%2FC25H32N2O2%2Fc1-21%2820-26-16-18-29-19-17-26%2925%2822-10-4-2-5-11-22%2C23-12-6-3-7-13-23%2924%2828%2927-14-8-9-15-27%2Fh2-7%2C10-13%2C21H%2C8-9%2C14-20H2%2C1H3, 61.9230003356934, 1.0, 4.0, 2.27074766159058, , 6.0, 0.0, 32.0, 12.0, 6.0, 12.0, -1.50689995288849, 7.0, 3.76999998092651, 61.0, 6.60400009155273
-InChI%3D1S%2FC22H27ClO3%2Fc1-11%2824%2922%2826%297-5-14-12-9-18%2823%2917-10-19%2825%2913-8-16%2813%2921%2817%2C3%2915%2812%294-6-20%2814%2C22%292%2Fh9-10%2C12-16%2C26H%2C4-8H2%2C1-3H3%2Ft12%3F%2C13%3F%2C14-%2C15-%2C16-%2C20-%2C21-%2C22-%2Fm0%2Fs1, 102.286796569824, 0.0, 0.0, 0.797806262969971, , 6.0, 1.0, 30.0, 0.0, 2.0, 0.0, 0.893199980258942, 1.0, 3.44000005722046, 53.0, 2.54200005531311
-InChI%3D1S%2FC15H10O2%2Fc16-14-11-8-4-5-9-12%2811%2915%2817%2913%2814%2910-6-2-1-3-7-10%2Fh1-9%2C13H, 14.3135995864868, 0.0, 0.0, 0.45198729634285, , 10.0, 0.0, 19.0, 12.0, 0.0, 12.0, -0.672299981117249, 1.0, 2.89000010490417, 27.0, 4.62400007247925
-InChI%3D1S%2FC4H11NO%2Fc1-5%282%293-4-6%2Fh6H%2C3-4H2%2C1-2H3, 26.2803993225098, 0.0, 2.0, 0.0480924881994724, , 0.0, 1.0, 5.0, 0.0, 6.0, 0.0, -0.219300001859665, 2.0, 1.67999994754791, 17.0, -0.646000027656555
-InChI%3D1S%2FC9H9Cl2NO2%2Fc1-12%289%2814%298%2810%2911%296-2-4-7%2813%295-3-6%2Fh2-5%2C8%2C13H%2C1H3, 31.1030006408691, 0.0, 2.0, 0.0450288392603397, , 10.0, 1.0, 14.0, 6.0, 7.0, 6.0, 0.212200000882149, 3.0, 1.89999997615814, 23.0, 1.87199997901917
-InChI%3D1S%2FC17H20ClNO%2Fc1-19%282%2913-12-17%2820%2C14-8-4-3-5-9-14%2915-10-6-7-11-16%2815%2918%2Fh3-11%2C20H%2C12-13H2%2C1-2H3, 32.3983993530273, 1.0, 3.0, 0.00354025000706315, , 6.0, 1.0, 21.0, 12.0, 7.0, 12.0, -0.0595000013709068, 5.0, 3.0, 40.0, 5.23299980163574
-InChI%3D1S%2FC12H19N2O2%2Fc1-13%282%2912%2815%2916-11-8-6-7-10%289-11%2914%283%2C4%295%2Fh6-9H%2C1-5H3%2Fq%2B1, 37.2762985229492, 0.0, 0.0, 1.03306901454926, , 11.0, 0.0, 16.0, 6.0, 6.0, 6.0, -1.01639997959137, 4.0, 2.33999991416931, 35.0, 1.76300001144409
-InChI%3D1S%2FC7H10N2O2S%2Fc1-3-11-7%2810%299-5-4-8%282%296%289%2912%2Fh4-5H%2C3H2%2C1-2H3, 49.3378982543945, 0.0, 2.0, 1.38509356975555, , 7.0, 0.0, 12.0, 0.0, 5.0, 0.0, 1.17690002918243, 3.0, 1.67999994754791, 24.0, 0.941999971866608
-InChI%3D1S%2FC7H9ClO%2Fc1-3-7%289%2C4-2%295-6-8%2Fh1%2C5-6%2C9H%2C4H2%2C2H3, 36.3908996582031, 0.0, 5.0, 0.297352075576782, , 2.0, 1.0, 8.0, 0.0, 9.0, 0.0, 0.545300006866455, 2.0, 2.00999999046326, 18.0, 1.83000004291534
-InChI%3D1S%2FC5H8N4O12%2Fc10-6%2811%2918-1-5%282-19-7%2812%2913%2C3-20-8%2814%2915%294-21-9%2816%2917%2Fh1-4H2, 38.4132995605469, 1.0, 3.0, 0.144552037119865, , 4.0, 0.0, 20.0, 0.0, 21.0, 0.0, -0.380199998617172, 12.0, 0.25, 29.0, 1.3860000371933
-InChI%3D1S%2FC26H34FNO5%2Fc1-15%282%2925-21%2811-10-19%2829%2912-20%2830%2913-23%2831%2932%2924%2817-6-8-18%2827%299-7-17%2922%2814-33-5%2926%2828-25%2916%283%294%2Fh6-11%2C15-16%2C19-20%2C29-30H%2C12-14H2%2C1-5H3%2C%28H%2C31%2C32%29%2Fb11-10%2B%2Ft19-%2C20-%2Fm1%2Fs1, 78.3598022460938, 1.0, 7.0, 0.29019770026207, , 14.0, 3.0, 34.0, 12.0, 11.0, 12.0, 0.538699984550476, 11.0, 3.54999995231628, 67.0, 4.41200017929077
-InChI%3D1S%2FC16H18N4O2%2Fc21-15%2818-12-13-4-2-1-3-5-13%298-11-19-20-16%2822%2914-6-9-17-10-7-14%2Fh1-7%2C9-10%2C19H%2C8%2C11-12H2%2C%28H%2C18%2C21%29%28H%2C20%2C22%29, 33.0046997070312, 0.0, 3.0, 1.69780898094177, , 10.0, 3.0, 23.0, 12.0, 10.0, 12.0, -1.30299997329712, 8.0, 2.55999994277954, 40.0, 3.45900011062622
-InChI%3D1S%2FC17H17N7O8S4%2Fc1-23-16%2820-21-22-23%2934-4-5-3-33-15-17%2832-2%2C14%2831%2924%2815%297%285%2911%2829%2930%2919-9%2826%2913-35-12%2836-13%296%288%2818%2925%2910%2827%2928%2Fh13%2C15H%2C3-4H2%2C1-2H3%2C%28H2%2C18%2C25%29%28H%2C19%2C26%29%28H%2C27%2C28%29%28H%2C29%2C30%29%2Ft13%3F%2C15%3F%2C17-%2Fm0%2Fs1, 118.54630279541, 1.0, 3.0, 1.03063106536865, , 8.0, 4.0, 39.0, 5.0, 7.0, 5.0, 1.01520001888275, 9.0, 1.24000000953674, 53.0, -1.76699995994568
-InChI%3D1S%2FC14H16N2O6S3.2Na%2Fc17-23%2818%299-15-11-1-5-13%286-2-11%2925%2821%2C22%2914-7-3-12%284-8-14%2916-10-24%2819%2920%3B%3B%2Fh1-8%2C15-16H%2C9-10H2%2C%28H%2C17%2C18%29%28H%2C19%2C20%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2, , 0.0, 0.0, , , 17.0, 2.0, 26.0, 12.0, 5.0, 12.0, , 8.0, 1.57000005245209, 41.0, -2.67899990081787
-InChI%3D1S%2FC5H9NO3S%2Fc1-3%2810%295%289%296-2-4%287%298%2Fh3%2C10H%2C2H2%2C1H3%2C%28H%2C6%2C9%29%28H%2C7%2C8%29, 38.1707992553711, 0.0, 3.0, 0.0139239998534322, , 3.0, 2.0, 9.0, 0.0, 10.0, 0.0, -0.118000000715256, 3.0, 1.46000003814697, 19.0, -0.398999989032745
-InChI%3D1S%2FC11H15NO5%2Fc1-15-9-4-2-3-5-10%289%2916-6-8%2813%297-17-11%2812%2914%2Fh2-5%2C8%2C13H%2C6-7H2%2C1H3%2C%28H2%2C12%2C14%29, 34.1495018005371, 0.0, 3.0, 0.0502656400203705, , 8.0, 3.0, 17.0, 6.0, 9.0, 6.0, -0.224199995398521, 7.0, 2.00999999046326, 32.0, 1.52300000190735
-InChI%3D1S%2FC9H5ClINO%2Fc10-6-4-7%2811%299%2813%298-5%286%292-1-3-12-8%2Fh1-4%2C13H, 22.1263999938965, 0.0, 0.0, 2.9039568901062, , 11.0, 1.0, 14.0, 11.0, 0.0, 10.0, 1.70410001277924, 0.0, 2.00999999046326, 18.0, 2.58400011062622
-InChI%3D1S%2FC22H26N2O4S%2Fc1-15%2825%2928-20-21%2816-9-11-17%2827-4%2912-10-16%2929-19-8-6-5-7-18%2819%2924%2822%2820%2926%2914-13-23%282%293%2Fh5-12%2C20-21H%2C13-14H2%2C1-4H3%2Ft20-%2C21%3F%2Fm1%2Fs1, 64.7033996582031, 0.0, 2.0, 0.0206496901810169, , 9.0, 0.0, 31.0, 12.0, 5.0, 12.0, -0.143700003623962, 7.0, 3.10999989509583, 55.0, 3.64000010490417
-InChI%3D1S%2FC16H20N4O2.2H2O%2Fc1-5-6-11-14%2821%2919-13-9-10%282%297-8-12%2813%2917-16%2818%283%294%2920%2819%2915%2811%2922%3B%3B%2Fh7-9%2C11H%2C5-6H2%2C1-4H3%3B2%2A1H2, 58.2481002807617, , 3.0, 0.0564537607133389, , 13.0, 3.0, 24.0, 6.0, 3.0, 6.0, -0.23759999871254, 3.0, 2.33999991416931, 50.0, 
-InChI%3D1S%2FC15H17NS2%2Fc1-16-8-2-5-12%2811-16%2915%2813-6-3-9-17-13%2914-7-4-10-18-14%2Fh3-4%2C6-7%2C9-10H%2C2%2C5%2C8%2C11H2%2C1H3, 49.2615013122559, 0.0, 0.0, 1.37100684642792, , 12.0, 0.0, 20.0, 10.0, 0.0, 10.0, 1.17089998722076, 2.0, 2.77999997138977, 35.0, 3.54299998283386
-InChI%3D1S%2FC14H18N4O3%2Fc1-19-10-5-8%286-11%2820-2%2912%2810%2921-3%294-9-7-17-14%2816%2918-13%289%2915%2Fh5-7H%2C4H2%2C1-3H3%2C%28H4%2C15%2C16%2C17%2C18%29, 52.4341011047363, 0.0, 0.0, 0.161684408783913, , 9.0, 4.0, 22.0, 6.0, 2.0, 6.0, -0.402099996805191, 5.0, 2.23000001907349, 41.0, 1.72599995136261
-InChI%3D1S%2FC16H15F2N3O4S%2Fc1-23-13-5-6-19-12%2814%2813%2924-2%298-26%2822%2916-20-10-4-3-9%2825-15%2817%2918%297-11%2810%2921-16%2Fh3-7%2C15H%2C8H2%2C1-2H3%2C%28H%2C20%2C21%29, 35.8306007385254, 0.0, 0.0, 0.0246176104992628, , 9.0, 2.0, 28.0, 16.0, 4.0, 12.0, 0.156900003552437, 7.0, 2.11999988555908, 40.0, 1.14400005340576
-InChI%3D1S%2FC22H24N2O8%2Fc1-21%2831%298-5-4-6-11%2825%2912%288%2916%2826%2913-9%2821%297-10-15%2824%282%293%2917%2827%2914%2820%2823%2930%2919%2829%2922%2810%2C32%2918%2813%2928%2Fh4-6%2C9-10%2C15%2C25%2C27-28%2C31-32H%2C7H2%2C1-3H3%2C%28H2%2C23%2C30%29%2Ft9-%2C10-%2C15%3F%2C21%2B%2C22%3F%2Fm0%2Fs1, 87.5391006469727, 1.0, 0.0, 7.91184377670288, , 12.0, 7.0, 35.0, 6.0, 3.0, 6.0, -2.81279993057251, 2.0, 2.77999997138977, 56.0, 0.834999978542328
-InChI%3D1S%2FC16H17N9O5S3%2Fc1-24-16%2820-22-23-24%2933-4-6-3-31-13-9%2812%2827%2925%2813%2910%286%2914%2828%2929%2919-11%2826%298%2821-30-2%297-5-32-15%2817%2918-7%2Fh5%2C9%2C13H%2C3-4H2%2C1-2H3%2C%28H2%2C17%2C18%29%28H%2C19%2C26%29%28H%2C28%2C29%29%2Fb21-8%2B%2Ft9%3F%2C13-%2Fm1%2Fs1, 110.116897583008, 1.0, 2.0, 0.243739694356918, , 8.0, 4.0, 36.0, 5.0, 7.0, 5.0, 0.493699997663498, 8.0, 1.35000002384186, 52.0, 0.0729999989271164
-InChI%3D1S%2FC11H13N%2Fc1-3-9-12%282%2910-11-7-5-4-6-8-11%2Fh1%2C4-8H%2C9-10H2%2C2H3, 25.7833003997803, 0.0, 3.0, 0.816492974758148, , 6.0, 0.0, 12.0, 6.0, 6.0, 6.0, 0.903599977493286, 3.0, 2.55999994277954, 25.0, 3.23900008201599
-InChI%3D1S%2FC15H19N5%2Fc1-19%282%296-5-13-8-17-15-4-3-12%287-14%2813%2915%299-20-11-16-10-18-20%2Fh3-4%2C7-8%2C10-11%2C17H%2C5-6%2C9H2%2C1-2H3, 31.0655994415283, 0.0, 2.0, 0.259896039962769, , 7.0, 3.0, 22.0, 15.0, 5.0, 6.0, 0.509800016880035, 5.0, 2.55999994277954, 38.0, 1.46099996566772
-InChI%3D1S%2FC26H27NO9%2Fc1-10-21%2829%2915%2827%297-17%2835-10%2936-16-9-26%2834%2C11%282%2928%298-14-18%2816%2925%2833%2920-19%2824%2814%2932%2922%2830%2912-5-3-4-6-13%2812%2923%2820%2931%2Fh3-6%2C10%2C15-17%2C21%2C29%2C32-34H%2C7-9%2C27H2%2C1-2H3%2Ft10-%2C15-%2C16-%2C17-%2C21%3F%2C26-%2Fm0%2Fs1, 76.2698974609375, 0.0, 0.0, 13.6530246734619, , 18.0, 5.0, 40.0, 12.0, 2.0, 12.0, -3.6949999332428, 3.0, 3.22000002861023, 63.0, -0.204999998211861
-InChI%3D1S%2FC12H14N4O4S%2Fc1-19-11-7-10%2814-12%2815-11%2920-2%2916-21%2817%2C18%299-5-3-8%2813%294-6-9%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29, 29.9953002929688, 0.0, 0.0, 3.20409989356995, , 19.0, 2.0, 22.0, 12.0, 4.0, 12.0, -1.78999996185303, 5.0, 1.78999996185303, 35.0, 0.851999998092651
-InChI%3D1S%2FC9H16ClN3O7%2Fc10-1-2-13%2812-19%299%2818%2911-5-7%2816%296%2815%294%283-14%2920-8%285%2917%2Fh4-8%2C14-17H%2C1-3H2%2C%28H%2C11%2C18%29%2Ft4-%2C5%3F%2C6-%2C7-%2C8%3F%2Fm1%2Fs1, 65.4400024414062, 0.0, 2.0, 1.15498006343842, , 6.0, 5.0, 20.0, 0.0, 9.0, 0.0, -1.07469999790192, 6.0, 1.24000000953674, 36.0, -1.57200002670288
-InChI%3D1S%2FC21H27N3O2%2Fc1-4-15%2812-25%2922-21%2826%2914-8-17-16-6-5-7-18-20%2816%2913%2810-23%2818%292%299-19%2817%2924%283%2911-14%2Fh5-8%2C10%2C14-15%2C19%2C25H%2C4%2C9%2C11-12H2%2C1-3H3%2C%28H%2C22%2C26%29%2Ft14-%2C15%2B%2C19-%2Fm1%2Fs1, 70.7529983520508, 0.0, 4.0, 0.299646764993668, , 9.0, 2.0, 29.0, 10.0, 8.0, 6.0, -0.547399997711182, 4.0, 3.22000002861023, 53.0, 1.95299994945526
-InChI%3D1S%2FC18H23NO3%2Fc1-19-8-7-18-11-4-5-13%2820%2917%2818%2922-16-14%2821-2%296-3-10%2815%2816%2918%299-12%2811%2919%2Fh3%2C6%2C11-13%2C17%2C20H%2C4-5%2C7-9H2%2C1-2H3%2Ft11-%2C12%3F%2C13%3F%2C17-%2C18%3F%2Fm0%2Fs1, 57.1040000915527, 0.0, 0.0, 1.16769635677338, , 8.0, 1.0, 26.0, 6.0, 2.0, 6.0, -1.08060002326965, 1.0, 3.0, 45.0, 1.56900000572205
-InChI%3D1S%2FC22H22FN3O2%2Fc23-17-9-7-16%288-10-17%2921%2827%296-3-13-25-14-11-18%2812-15-25%2926-20-5-2-1-4-19%2820%2924-22%2826%2928%2Fh1-2%2C4-5%2C7-11H%2C3%2C6%2C12-15H2%2C%28H%2C24%2C28%29, 48.7344017028809, 0.0, 4.0, 0.49477156996727, , 10.0, 2.0, 31.0, 16.0, 5.0, 12.0, -0.703400015830994, 6.0, 3.22000002861023, 50.0, 4.56799983978271
-InChI%3D1S%2FC5H9Cl2N3O2%2Fc6-1-3-8-5%2811%2910%289-12%294-2-7%2Fh1-4H2%2C%28H%2C8%2C11%29, 47.0278015136719, 0.0, 2.0, 2.66930246353149, , 6.0, 1.0, 11.0, 0.0, 12.0, 0.0, 1.63380002975464, 6.0, 1.24000000953674, 21.0, 1.18299996852875
-InChI%3D1S%2FC29H40NO4.BrH%2Fc1-3-4-18-33-26-14-10-22%2811-15-26%2916-17-30%282%2924-12-13-25%2830%2920-27%2819-24%2934-29%2832%2928%2821-31%2923-8-6-5-7-9-23%3B%2Fh5-11%2C14-15%2C24-25%2C27-28%2C31H%2C3-4%2C12-13%2C16-21H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft24-%2C25-%2C27-%2C28-%2C30%3F%3B%2Fm1.%2Fs1, , 2.0, 4.0, , , 7.0, 1.0, 37.0, 12.0, 6.0, 12.0, , 12.0, 3.99000000953674, 75.0, 7.73600006103516
-InChI%3D1S%2FC19H21NO3%2Fc1-2-8-20-9-7-19-12-4-6-15%2822%2918%2819%2923-17-14%2821%295-3-11%2816%2817%2919%2910-13%2812%2920%2Fh2-6%2C12-13%2C15%2C18%2C21-22H%2C1%2C7-10H2%2Ft12-%2C13%2B%2C15%3F%2C18-%2C19%3F%2Fm0%2Fs1, 65.2407989501953, 0.0, 3.0, 0.0100600896403193, , 8.0, 2.0, 27.0, 6.0, 3.0, 6.0, -0.100299999117851, 2.0, 3.10999989509583, 44.0, 1.41100001335144
-InChI%3D1S%2FC9H16ClN3O2%2Fc10-6-7-13%2812-15%299%2814%2911-8-4-2-1-3-5-8%2Fh8H%2C1-7H2%2C%28H%2C11%2C14%29, 50.0371017456055, 0.0, 2.0, 0.26214399933815, , 6.0, 1.0, 15.0, 0.0, 9.0, 0.0, -0.512000024318695, 5.0, 1.78999996185303, 31.0, 2.31200003623962
-InChI%3D1S%2FC42H53NO15%2Fc1-8-42%2851%2917-28%2833-22%2835%2842%2941%2850%2952-7%2914-23-34%2838%2833%2949%2937%2848%2932-21%2836%2823%2947%2910-9-11-26%2832%2945%2956-30-15-24%2843%285%296%2939%2819%283%2954-30%2958-31-16-27%2846%2940%2820%284%2955-31%2957-29-13-12-25%2844%2918%282%2953-29%2Fh9-11%2C14%2C18-20%2C24%2C27-31%2C35%2C39-40%2C45-46%2C49%2C51H%2C8%2C12-13%2C15-17H2%2C1-7H3%2Ft18-%2C19-%2C20-%2C24-%2C27-%2C28-%2C29-%2C30-%2C31-%2C35-%2C39%2B%2C40%2B%2C42%2B%2Fm0%2Fs1, 149.098205566406, 1.0, 0.0, 20.4982566833496, , 18.0, 4.0, 64.0, 12.0, 4.0, 12.0, -4.52750015258789, 10.0, 4.32000017166138, 111.0, 1.1710000038147
-InChI%3D1S%2FC51H79NO13%2Fc1-30-16-12-11-13-17-31%282%2942%2861-8%2928-38-21-19-36%287%2951%2860%2C65-38%2948%2857%2949%2858%2952-23-15-14-18-39%2852%2950%2859%2964-43%2833%284%2926-37-20-22-40%2853%2944%2827-37%2962-9%2929-41%2854%2932%283%2925-35%286%2946%2856%2947%2863-10%2945%2855%2934%285%2924-30%2Fh11-13%2C16-17%2C25%2C30%2C32-34%2C36-40%2C42-44%2C46-47%2C53%2C56%2C60H%2C14-15%2C18-24%2C26-29H2%2C1-10H3%2Fb13-11%2B%2C16-12%2B%2C31-17%3F%2C35-25%2B%2Ft30-%2C32-%2C33-%2C34-%2C36-%2C37%2B%2C38%2B%2C39%2B%2C40-%2C42%2B%2C43%2B%2C44%3F%2C46-%2C47%2B%2C51%3F%2Fm1%2Fs1, 237.137603759766, 1.0, 3.0, 1.3146915435791, , 6.0, 3.0, 68.0, 0.0, 3.0, 0.0, -1.14660000801086, 6.0, 5.53000020980835, 144.0, 4.32100009918213
-InChI%3D1S%2FC14H19Cl2NO2%2Fc15-8-10-17%2811-9-16%2913-6-4-12%285-7-13%292-1-3-14%2818%2919%2Fh4-7H%2C1-3%2C8-11H2%2C%28H%2C18%2C19%29, 52.5234985351562, 0.0, 4.0, 1.24902975559235, , 7.0, 1.0, 19.0, 6.0, 7.0, 6.0, 1.11759996414185, 9.0, 2.45000004768372, 38.0, 4.29199981689453
-InChI%3D1S%2FC40H71NO14%2Fc1-15-27-40%2811%2C48%2933%2844%2922%285%2930%2843%2920%283%2918-38%289%2C47%2935%2855-37-32%2853-28%2842%2916-2%2926%2841%2812%2913%2917-21%284%2950-37%2923%286%2931%2824%287%2936%2846%2952-27%2954-29-19-39%2810%2C49-14%2934%2845%2925%288%2951-29%2Fh20-27%2C29%2C31-35%2C37%2C44-45%2C47-48H%2C15-19H2%2C1-14H3%2Ft20-%2C21-%2C22%2B%2C23%2B%2C24-%2C25%2B%2C26%2B%2C27-%2C29%2B%2C31%2B%2C32%3F%2C33-%2C34%2B%2C35-%2C37%2B%2C38-%2C39-%2C40-%2Fm1%2Fs1, 195.655807495117, 1.0, 3.0, 4.02724647521973, , 3.0, 4.0, 57.0, 0.0, 5.0, 0.0, -2.00679993629456, 10.0, 4.21000003814697, 126.0, 2.1340000629425
-InChI%3D1S%2FC11H16N2O3%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%2Fh6H%2C4-5H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 57.8773002624512, 0.0, 5.0, 0.199005216360092, , 8.0, 2.0, 16.0, 0.0, 5.0, 0.0, -0.446099996566772, 3.0, 2.11999988555908, 32.0, 2.47300004959106
-InChI%3D1S%2FC4H6O6%2Fc5-1%283%287%298%292%286%294%289%2910%2Fh1-2%2C5-6H%2C%28H%2C7%2C8%29%28H%2C9%2C10%29, 26.213399887085, 0.0, 4.0, 2.93916726112366, , 3.0, 4.0, 9.0, 0.0, 10.0, 0.0, -1.71440005302429, 3.0, 1.24000000953674, 16.0, -2.23799991607666
-InChI%3D1S%2FC8H9FN2O3.C4H4N2O2%2Fc9-5-4-11%286-2-1-3-14-6%298%2813%2910-7%285%2912%3B7-3-1-2-5-4%288%296-3%2Fh4%2C6H%2C1-3H2%2C%28H%2C10%2C12%2C13%29%3B1-2H%2C%28H2%2C5%2C6%2C7%2C8%29, 45.1285018920898, , 0.0, 4.08767509460449, , 8.0, 4.0, 23.0, 6.0, 0.0, 6.0, -2.02180004119873, 1.0, 1.67999994754791, 39.0, 
-InChI%3D1S%2FC15H15ClN2O4S%2Fc1-8-4-3-5-9%282%2914%288%2918-15%2820%2910-6-13%2823%2817%2C21%2922%2911%2816%297-12%2810%2919%2Fh3-7%2C19H%2C1-2H3%2C%28H%2C18%2C20%29%28H2%2C17%2C21%2C22%29, 38.8023986816406, 0.0, 0.0, 0.30239000916481, , 20.0, 3.0, 24.0, 12.0, 3.0, 12.0, 0.549899995326996, 3.0, 2.23000001907349, 38.0, 2.82299995422363
-InChI%3D1S%2FC41H64O8%2Fc1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36%2845%2949-29-37%2846%2948-28-35%2844%2941%2847%2925-23-33-32-21-20-30-26-31%2842%2922-24-39%2830%2C2%2938%2832%2934%2843%2927-40%2833%2C41%293%2Fh22%2C24%2C26%2C32-34%2C38%2C43%2C47H%2C4-21%2C23%2C25%2C27-29H2%2C1-3H3%2Ft32%3F%2C33-%2C34-%2C38%2B%2C39-%2C40-%2C41-%2Fm0%2Fs1, 165.898300170898, 2.0, 18.0, 25.1532344818115, , 6.0, 2.0, 52.0, 0.0, 27.0, 0.0, -5.01529979705811, 23.0, 5.09000015258789, 113.0, 9.82299995422363
-InChI%3D1S%2FC10H20N2O4%2Fc1-4-7%282%2910%283%2C5-15-8%2811%2913%296-16-9%2812%2914%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C11%2C13%29%28H2%2C12%2C14%29, 54.5480003356934, 0.0, 5.0, 1.27803027629852, , 4.0, 4.0, 15.0, 0.0, 16.0, 0.0, 1.130499958992, 8.0, 1.89999997615814, 36.0, 3.48000001907349
-InChI%3D1S%2FC12H16N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh6H%2C2-5%2C7H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29, 58.7052993774414, 0.0, 2.0, 1.23076832294464, , 8.0, 2.0, 18.0, 0.0, 2.0, 0.0, -1.10940003395081, 2.0, 2.23000001907349, 33.0, 2.59699988365173
-InChI%3D1S%2FC58H80N2O14.2ClH%2Fc1-59%2837-42%2844-35-49%2865-5%2948%2864-4%2934-43%2844%2938-59%2927-39-29-51%2867-7%2957%2871-11%2952%2830-39%2968-8%2922-17-25-73-55%2861%2919-15-13-14-16-20-56%2862%2974-26-18-23-60%282%2924-21-41-33-47%2863-3%2950%2866-6%2936-45%2841%2946%2860%2928-40-31-53%2869-9%2958%2872-12%2954%2832-40%2970-10%3B%3B%2Fh13-14%2C29-36%2C42%2C46H%2C15-28%2C37-38H2%2C1-12H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Fb14-13%2B%3B%3B, , 2.0, 8.0, , , 9.0, 0.0, 79.0, 24.0, 18.0, 24.0, , 30.0, 5.8600001335144, 156.0, 7.29500007629395
-InChI%3D1S%2FC21H24ClN3OS%2Fc22-16-6-7-20-18%2814-16%2925%2817-4-1-2-5-19%2817%2927-20%2911-3-10-24-12-8-15%289-13-24%2921%2823%2926%2Fh1-2%2C4-7%2C14-15H%2C3%2C8-13H2%2C%28H2%2C23%2C26%29, 58.8866996765137, 0.0, 3.0, 0.100742757320404, , 13.0, 2.0, 30.0, 12.0, 3.0, 12.0, 0.317400008440018, 5.0, 3.10999989509583, 51.0, 4.77899980545044
-InChI%3D1S%2FC19H25N3O2S2%2Fc1-14%2820%282%293%2913-22-16-8-6-7-9-18%2816%2925-19-11-10-15%2812-17%2819%2922%2926%2823%2C24%2921%284%295%2Fh6-12%2C14H%2C13H2%2C1-5H3, 61.5266990661621, 0.0, 3.0, 0.0104448404163122, , 17.0, 0.0, 28.0, 12.0, 6.0, 12.0, 0.102200001478195, 5.0, 2.77999997138977, 51.0, 3.17600011825562
-InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3, 27.1746006011963, 0.0, 5.0, 0.0495062507688999, , 2.0, 1.0, 6.0, 0.0, 7.0, 0.0, 0.222499996423721, 1.0, 2.00999999046326, 17.0, 0.763000011444092
-InChI%3D1S%2FC16H19ClO3%2Fc17-14-10-12%2815%2818%298-9-16%2819%2920%296-7-13%2814%2911-4-2-1-3-5-11%2Fh6-7%2C10-11H%2C1-5%2C8-9H2%2C%28H%2C19%2C20%29, 47.7205009460449, 0.0, 4.0, 0.121521957218647, , 8.0, 1.0, 21.0, 6.0, 7.0, 6.0, -0.348600000143051, 5.0, 2.77999997138977, 39.0, 4.32000017166138
-InChI%3D1S%2FC2H7NS%2Fc3-1-2-4%2Fh4H%2C1-3H2, 22.3381004333496, 0.0, 2.0, 0.0465264916419983, , 0.0, 1.0, 3.0, 0.0, 4.0, 0.0, -0.215700000524521, 1.0, 1.46000003814697, 11.0, 0.105999998748302
-InChI%3D1S%2FC16H19BrN2%2Fc1-19%282%2912-10-15%2816-5-3-4-11-18-16%2913-6-8-14%2817%299-7-13%2Fh3-9%2C11%2C15H%2C10%2C12H2%2C1-2H3, 34.0872001647949, 0.0, 3.0, 0.633456826210022, , 6.0, 0.0, 20.0, 12.0, 6.0, 12.0, 0.795899987220764, 5.0, 2.89000010490417, 38.0, 4.62599992752075
-InChI%3D1S%2FC15H13NO3%2Fc17-14%2810-4-2-1-3-5-10%2913-7-6-12-11%2815%2818%2919%298-9-16%2812%2913%2Fh1-7%2C11H%2C8-9H2%2C%28H%2C18%2C19%29, 26.7087001800537, 0.0, 0.0, 0.830832242965698, , 13.0, 1.0, 21.0, 11.0, 2.0, 11.0, -0.911499977111816, 3.0, 2.67000007629395, 32.0, 3.3289999961853
-InChI%3D1S%2FC12H18N2O3.Na%2Fc1-4-6-8%283%2912%287-5-2%299%2815%2913-11%2817%2914-10%2812%2916%3B%2Fh5%2C8H%2C2%2C4%2C6-7H2%2C1%2C3H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29%3B%2Fq%3B%2B1%2Fp-1, , 0.0, 5.0, , , 8.0, 1.0, 17.0, 0.0, 5.0, 0.0, , 5.0, 2.11999988555908, 35.0, 3.2720000743866
-InChI%3D1S%2FC17H20N2S%2Fc1-18%282%2912-7-13-19-14-8-3-5-10-16%2814%2920-17-11-6-4-9-15%2817%2919%2Fh3-6%2C8-11H%2C7%2C12-13H2%2C1-2H3, 37.3189010620117, 0.0, 3.0, 0.310026228427887, , 13.0, 0.0, 22.0, 12.0, 6.0, 12.0, 0.556800007820129, 4.0, 3.0, 40.0, 4.36100006103516
-InChI%3D1S%2FC17H20N2O5S%2Fc1-9%2824-10-7-5-4-6-8-10%2913%2820%2918-11-14%2821%2919-12%2816%2822%2923%2917%282%2C3%2925-15%2811%2919%2Fh4-9%2C11-12%2C15H%2C1-3H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft9%3F%2C11%3F%2C12-%2C15%2B%2Fm0%2Fs1, 65.3623962402344, 0.0, 3.0, 0.0455395616590977, , 7.0, 2.0, 27.0, 6.0, 6.0, 6.0, -0.21340000629425, 5.0, 2.45000004768372, 45.0, 2.26500010490417
-InChI%3D1S%2FC7H15NO3%2Fc1-8%282%2C3%295-6%289%294-7%2810%2911%2Fh6%2C9H%2C4-5H2%2C1-3H3%2Ft6-%2Fm1%2Fs1, 37.255500793457, 0.0, 4.0, 6.34485721588135, , 3.0, 1.0, 10.0, 0.0, 11.0, 0.0, -2.51889991760254, 4.0, 1.78999996185303, 26.0, -1.74100005626678
-InChI%3D1S%2FC18H22O3%2Fc1-5-16%2818%282%2C3%2917%2819%2920%2914-7-6-13-11-15%2821-4%299-8-12%2813%2910-14%2Fh6-11%2C16H%2C5H2%2C1-4H3%2C%28H%2C19%2C20%29, 40.7498016357422, 1.0, 5.0, 0.0650250017642975, , 11.0, 1.0, 22.0, 11.0, 9.0, 10.0, 0.254999995231628, 5.0, 3.10999989509583, 43.0, 5.59700012207031
-InChI%3D1S%2FC17H32NO2.BrH%2Fc1-5-7-13%288-6-2%2917%2819%2920-16-11-14-9-10-15%2812-16%2918%2814%2C3%294%3B%2Fh13-16H%2C5-12H2%2C1-4H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft14-%2C15-%3B%2Fm1.%2Fs1, , 0.0, 7.0, , , 3.0, 0.0, 21.0, 0.0, 10.0, 0.0, , 7.0, 2.89000010490417, 53.0, 4.69799995422363
-InChI%3D1S%2FC20H32O2%2Fc1-12-11-20%283%2913%2810-17%2812%2921%294-5-14-15-6-7-18%2822%2919%2815%2C2%299-8-16%2814%2920%2Fh12-16%2C18%2C22H%2C4-11H2%2C1-3H3%2Ft12-%2C13%2B%2C14%3F%2C15%2B%2C16%2B%2C18%2B%2C19%3F%2C20%2B%2Fm1%2Fs1, 84.5472030639648, 0.0, 0.0, 0.288046896457672, , 2.0, 1.0, 25.0, 0.0, 0.0, 0.0, 0.536700010299683, 0.0, 3.44000005722046, 54.0, 4.79099988937378
-InChI%3D1S%2FC9H10N2O3S2%2Fc1-2-14-6-3-4-7-8%285-6%2915-9%2811-7%2916%2810%2C12%2913%2Fh3-5H%2C2H2%2C1H3%2C%28H2%2C10%2C12%2C13%29, 30.5447006225586, 0.0, 2.0, 0.0216972902417183, , 14.0, 2.0, 17.0, 10.0, 3.0, 9.0, -0.147300004959106, 3.0, 1.67999994754791, 26.0, 0.587999999523163
-InChI%3D1S%2FC9H10N2O2%2Fc10-9%2813%2911-8%2812%296-7-4-2-1-3-5-7%2Fh1-5H%2C6H2%2C%28H3%2C10%2C11%2C12%2C13%29, 21.3031005859375, 0.0, 2.0, 0.0656384378671646, , 6.0, 3.0, 13.0, 6.0, 7.0, 6.0, -0.256199985742569, 3.0, 2.00999999046326, 23.0, 2.9779999256134
-InChI%3D1S%2FC17H20N4S%2Fc1-12-11-13-16%2821-9-7-20%282%298-10-21%2918-14-5-3-4-6-15%2814%2919-17%2813%2922-12%2Fh3-6%2C11%2C19H%2C7-10H2%2C1-2H3, 52.9681015014648, 0.0, 0.0, 0.0870250016450882, , 15.0, 1.0, 25.0, 11.0, 0.0, 11.0, 0.294999986886978, 1.0, 2.77999997138977, 42.0, 3.45099997520447
-InChI%3D1S%2FC15H22N2O%2Fc1-11-7-6-8-12%282%2914%2811%2916-15%2818%2913-9-4-5-10-17%2813%293%2Fh6-8%2C13H%2C4-5%2C9-10H2%2C1-3H3%2C%28H%2C16%2C18%29, 44.845100402832, 0.0, 0.0, 0.0951105579733849, , 9.0, 1.0, 19.0, 6.0, 3.0, 6.0, 0.308400005102158, 2.0, 2.77999997138977, 40.0, 3.55599999427795
-InChI%3D1S%2FC2H3Br3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2, 36.641300201416, 0.0, 2.0, 3.42583084106445, , 0.0, 1.0, 5.0, 0.0, 6.0, 0.0, 1.85090005397797, 1.0, 1.24000000953674, 9.0, 2.3510000705719
-InChI%3D1S%2FC27H29NO11%2Fc1-10-22%2831%2913%2828%296-17%2838-10%2939-15-8-27%2836%2C16%2830%299-29%297-12-19%2815%2926%2835%2921-20%2824%2812%2933%2923%2832%2911-4-3-5-14%2837-2%2918%2811%2925%2821%2934%2Fh3-5%2C10%2C13%2C15%2C17%2C22%2C29%2C31%2C33%2C35-36H%2C6-9%2C28H2%2C1-2H3%2Ft10-%2C13-%2C15-%2C17-%2C22-%2C27-%2Fm0%2Fs1, 85.2879028320312, 1.0, 2.0, 19.5257930755615, , 19.0, 6.0, 43.0, 12.0, 4.0, 12.0, -4.41879987716675, 5.0, 3.10999989509583, 68.0, -1.67900002002716
-InChI%3D1S%2FC23H36O3%2Fc1-5-21%2825%2926-20-9-8-17-16-7-6-15-12-19%2824%2914%282%2913-23%2815%2C4%2918%2816%2910-11-22%2817%2C20%293%2Fh14-18%2C20H%2C5-13H2%2C1-4H3%2Ft14-%2C15%2B%2C16%3F%2C17%3F%2C18%2B%2C20%2B%2C22%2B%2C23%2B%2Fm1%2Fs1, 98.7221984863281, 1.0, 3.0, 0.984063982963562, , 3.0, 0.0, 29.0, 0.0, 5.0, 0.0, 0.991999983787537, 3.0, 3.66000008583069, 62.0, 5.78399991989136
-InChI%3D1S%2FC22H28N.BrH%2Fc1-4-23%285-2%2917-16-21%2818%2823%293%2922%2819-12-8-6-9-13-19%2920-14-10-7-11-15-20%3B%2Fh6-15%2C18H%2C4-5%2C16-17H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, , 1.0, 2.0, , , 14.0, 0.0, 25.0, 12.0, 2.0, 12.0, , 4.0, 3.66000008583069, 52.0, 9.10200023651123
-InChI%3D1S%2FC18H25NO%2Fc1-12-16-11-19%2810-13-3-4-13%298-7-18%2812%2C2%2917-9-14%2820%295-6-15%2816%2917%2Fh5-6%2C9%2C12-13%2C16%2C20H%2C3-4%2C7-8%2C10-11H2%2C1-2H3, 55.2181015014648, 0.0, 0.0, 0.0218744091689587, , 7.0, 1.0, 23.0, 6.0, 0.0, 6.0, 0.147900000214577, 2.0, 3.22000002861023, 45.0, 3.67600011825562
-InChI%3D1S%2FC16H12FN3O3%2Fc1-23-16%2822%2920-15-18-12-7-4-10%288-13%2812%2919-15%2914%2821%299-2-5-11%2817%296-3-9%2Fh2-8H%2C1H3%2C%28H2%2C18%2C19%2C20%2C22%29, 21.7429008483887, 0.0, 0.0, 0.619998753070831, , 16.0, 3.0, 25.0, 16.0, 5.0, 12.0, 0.787400007247925, 4.0, 2.45000004768372, 34.0, 3.875
-InChI%3D1S%2FC13H15N3O4S%2Fc1-19-7-8-20-11-9-14-13%2815-10-11%2916-21%2817%2C18%2912-5-3-2-4-6-12%2Fh2-6%2C9-10H%2C7-8H2%2C1H3%2C%28H%2C14%2C15%2C16%29, 29.5009002685547, 0.0, 2.0, 1.25260865688324, , 17.0, 1.0, 22.0, 12.0, 5.0, 12.0, -1.1191999912262, 7.0, 2.00999999046326, 36.0, 1.34700000286102
-InChI%3D1S%2FC16H19N3O4S%2Fc1-16%282%2911%2815%2822%2923%2919-13%2821%2910%2814%2819%2924-16%2918-12%2820%299%2817%298-6-4-3-5-7-8%2Fh3-7%2C9-11%2C14H%2C17H2%2C1-2H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft9-%2C10%3F%2C11%2B%2C14-%2Fm1%2Fs1, 62.0666999816895, 0.0, 2.0, 0.740460276603699, , 6.0, 3.0, 26.0, 6.0, 5.0, 6.0, -0.860499978065491, 4.0, 2.33999991416931, 43.0, -0.545000016689301
-InChI%3D1S%2FC10H16N5O13P3%2Fc11-8-5-9%2813-2-12-8%2915%283-14-5%2910-7%2817%296%2816%294%2826-10%291-25-30%2821%2C22%2928-31%2823%2C24%2927-29%2818%2C19%2920%2Fh2-4%2C6-7%2C10%2C16-17H%2C1H2%2C%28H%2C21%2C22%29%28H%2C23%2C24%29%28H2%2C11%2C12%2C13%29%28H2%2C18%2C19%2C20%29%2Ft4%3F%2C6-%2C7%3F%2C10-%2Fm1%2Fs1, 65.9878997802734, 2.0, 0.0, 7.69785022735596, , 13.0, 8.0, 33.0, 10.0, 14.0, 6.0, -2.77449989318848, 8.0, 0.25, 47.0, -5.92500019073486
-InChI%3D1S%2FC13H26N2O4%2Fc1-4-6-8-15-12%2817%2919-10-13%283%2C7-5-2%299-18-11%2814%2916%2Fh4-10H2%2C1-3H3%2C%28H2%2C14%2C16%29%28H%2C15%2C17%29, 67.1253967285156, 1.0, 5.0, 0.103812843561172, , 4.0, 3.0, 18.0, 0.0, 19.0, 0.0, 0.322200000286102, 11.0, 2.23000001907349, 45.0, 4.12400007247925
-InChI%3D1S%2FC10H13NO3%2Fc1-10%2811%2C9%2813%2914%296-7-2-4-8%2812%295-3-7%2Fh2-5%2C12H%2C6%2C11H2%2C1H3%2C%28H%2C13%2C14%29, 26.7961006164551, 0.0, 3.0, 0.949065625667572, , 7.0, 3.0, 14.0, 6.0, 7.0, 6.0, -0.974200010299683, 3.0, 2.11999988555908, 27.0, -1.46700000762939
-InChI%3D1S%2FC6H6N2O%2Fc7-6%289%295-2-1-3-8-4-5%2Fh1-4H%2C%28H2%2C7%2C9%29, 8.47640037536621, 0.0, 0.0, 0.00665856013074517, , 9.0, 2.0, 9.0, 6.0, 3.0, 6.0, -0.0816000029444695, 1.0, 1.78999996185303, 15.0, 1.04299998283386
-InChI%3D1S%2FC11H13NO4%2Fc1-14-9-4-2-3-5-10%289%2915-7-8-6-12-11%2813%2916-8%2Fh2-5%2C8H%2C6-7H2%2C1H3%2C%28H%2C12%2C13%29, 31.398099899292, 0.0, 0.0, 0.000141609998536296, , 8.0, 1.0, 17.0, 6.0, 2.0, 6.0, 0.0119000002741814, 4.0, 2.11999988555908, 29.0, 1.82400000095367
-InChI%3D1S%2FC24H32O4%2Fc1-5-24%2828-16%283%2926%2913-11-22-21-8-6-17-14-18%2827-15%282%2925%297-9-19%2817%2920%2821%2910-12-23%2822%2C24%294%2Fh1%2C14%2C18-22H%2C6-13H2%2C2-4H3%2Ft18-%2C19%3F%2C20%2B%2C21%3F%2C22-%2C23%3F%2C24-%2Fm0%2Fs1, 101.771202087402, 0.0, 2.0, 1.5515193939209, , 3.0, 0.0, 31.0, 0.0, 4.0, 0.0, 1.24559998512268, 4.0, 3.66000008583069, 60.0, 4.99700021743774
-InChI%3D1S%2FC13H14N2O3%2Fc1-3-13%289-7-5-4-6-8-9%2910%2816%2914-12%2818%2915%282%2911%2813%2917%2Fh4-8H%2C3H2%2C1-2H3%2C%28H%2C14%2C16%2C18%29, 39.3282012939453, 0.0, 2.0, 0.86174088716507, , 8.0, 1.0, 19.0, 6.0, 2.0, 6.0, -0.928300023078918, 2.0, 2.33999991416931, 32.0, 3.24799990653992
-InChI%3D1S%2FC14H20Br2N2%2Fc1-18%2812-5-3-2-4-6-12%299-10-7-11%2815%298-13%2816%2914%2810%2917%2Fh7-8%2C12H%2C2-6%2C9%2C17H2%2C1H3, 52.6831016540527, 0.0, 0.0, 0.112627357244492, , 7.0, 1.0, 19.0, 6.0, 3.0, 6.0, -0.335599988698959, 3.0, 2.55999994277954, 38.0, 4.00400018692017
-InChI%3D1S%2FC11H13N3O3S%2Fc1-7-8%282%2917-11%2813-7%2914-18%2815%2C16%2910-5-3-9%2812%294-6-10%2Fh3-6H%2C12H2%2C1-2H3%2C%28H%2C13%2C14%29, 28.4477996826172, 0.0, 0.0, 0.924482226371765, , 11.0, 3.0, 19.0, 11.0, 4.0, 6.0, -0.961499989032745, 3.0, 1.89999997615814, 31.0, 1.35199999809265
-InChI%3D1S%2FC17H19NO3%2Fc1-18-7-6-17-10-3-5-13%2820%2916%2817%2921-15-12%2819%294-2-9%2814%2815%2917%298-11%2810%2918%2Fh2-5%2C10-11%2C13%2C16%2C19-20H%2C6-8H2%2C1H3%2Ft10-%2C11%2B%2C13%3F%2C16-%2C17-%2Fm0%2Fs1, 56.0780982971191, 0.0, 0.0, 0.514232397079468, , 8.0, 2.0, 25.0, 6.0, 0.0, 6.0, -0.717100024223328, 0.0, 2.89000010490417, 40.0, 0.796000003814697
-InChI%3D1S%2FC5H11Cl2NO.ClH%2Fc1-8%289%2C4-2-6%295-3-7%3B%2Fh2-5H2%2C1H3%3B1H, 36.5657997131348, 0.0, 2.0, 0.687738478183746, , 1.0, 0.0, 8.0, 0.0, 9.0, 0.0, 0.829299986362457, 4.0, 1.46000003814697, 22.0, 1.2150000333786
-InChI%3D1S%2FC29H40N2O4%2Fc1-6-18-17-31-10-8-20-14-27%2833-3%2929%2835-5%2916-23%2820%2925%2831%2912-21%2818%2911-24-22-15-28%2834-4%2926%2832-2%2913-19%2822%297-9-30-24%2Fh13-16%2C18%2C21%2C24-25%2C30H%2C6-12%2C17H2%2C1-5H3%2Ft18-%2C21%3F%2C24%2B%2C25-%2Fm0%2Fs1, 88.61669921875, 0.0, 2.0, 0.256947606801987, , 8.0, 1.0, 39.0, 12.0, 2.0, 12.0, -0.506900012493134, 7.0, 3.99000000953674, 75.0, 4.16099977493286
-InChI%3D1S%2FC18H17NO5%2Fc1-23-15-9-7-12%2811-16%2815%2924-2%298-10-17%2820%2919-14-6-4-3-5-13%2814%2918%2821%2922%2Fh3-11H%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C21%2C22%29, 40.57080078125, 0.0, 3.0, 0.0040832101367414, , 22.0, 2.0, 25.0, 12.0, 5.0, 12.0, -0.063900001347065, 6.0, 2.77999997138977, 41.0, 3.90700006484985
-InChI%3D1S%2FC13H18Cl2N2O2%2Fc14-5-7-17%288-6-15%2911-3-1-10%282-4-11%299-12%2816%2913%2818%2919%2Fh1-4%2C12H%2C5-9%2C16H2%2C%28H%2C18%2C19%29%2Ft12-%2Fm0%2Fs1, 52.6076011657715, 0.0, 3.0, 0.215110436081886, , 7.0, 2.0, 19.0, 6.0, 7.0, 6.0, 0.463800013065338, 8.0, 2.23000001907349, 37.0, 0.514999985694885
-InChI%3D1S%2FC24H40O4%2Fc1-14%284-7-21%2827%2928%2917-5-6-18-22-19%289-11-24%2817%2C18%293%2923%282%2910-8-16%2825%2912-15%2823%2913-20%2822%2926%2Fh14-20%2C22%2C25-26H%2C4-13H2%2C1-3H3%2C%28H%2C27%2C28%29%2Ft14-%2C15%2B%2C16-%2C17-%2C18%2B%2C19%2B%2C20%2B%2C22%3F%2C23%3F%2C24%3F%2Fm1%2Fs1, 104.151496887207, 1.0, 5.0, 0.0113848904147744, , 3.0, 3.0, 31.0, 0.0, 7.0, 0.0, 0.106700003147125, 4.0, 3.66000008583069, 68.0, 6.17799997329712
-InChI%3D1S%2FC23H36O7%2Fc1-4-13%282%2923%2829%2930-20-11-17%2825%299-15-6-5-14%283%2919%2822%2815%2920%298-7-16%2824%2910-18%2826%2912-21%2827%2928%2Fh5-6%2C9%2C13-14%2C16-20%2C22%2C24-26H%2C4%2C7-8%2C10-12H2%2C1-3H3%2C%28H%2C27%2C28%29%2Ft13-%2C14-%2C16%2B%2C17%2B%2C18%2B%2C19-%2C20%3F%2C22-%2Fm0%2Fs1, 105.024696350098, 1.0, 7.0, 3.59443688392639, , 4.0, 4.0, 31.0, 0.0, 11.0, 0.0, -1.89590001106262, 11.0, 3.22000002861023, 66.0, 2.27500009536743
-InChI%3D1S%2FC9H19NO4%2Fc1-9%282%2C6-12%297%2813%298%2814%2910-4-3-5-11%2Fh7%2C11-13H%2C3-6H2%2C1-2H3%2C%28H%2C10%2C14%29, 49.9790992736816, 0.0, 4.0, 1.39901578426361, , 3.0, 4.0, 13.0, 0.0, 14.0, 0.0, -1.18280005455017, 6.0, 1.89999997615814, 33.0, -0.815999984741211
-InChI%3D1S%2FC29H33FO8%2Fc1-16-12-21-20-8-7-18-13-19%2832%299-10-26%2818%2C3%2928%2820%2C30%2923%2833%2914-27%2821%2C4%2929%2816%2C24%2834%2915-37-17%282%2931%2938-25%2835%2922-6-5-11-36-22%2Fh5-6%2C9-11%2C13%2C16%2C20-21%2C23%2C33H%2C7-8%2C12%2C14-15H2%2C1-4H3%2Ft16-%2C20%2B%2C21%2B%2C23%2B%2C26%2B%2C27%2B%2C28%2B%2C29%2B%2Fm1%2Fs1, 115.792999267578, 0.0, 2.0, 0.122360043227673, , 8.0, 1.0, 42.0, 5.0, 7.0, 5.0, -0.349799990653992, 7.0, 3.66000008583069, 71.0, 2.91199994087219
-InChI%3D1S%2FC16H19N3O5S%2Fc1-16%282%2911%2815%2823%2924%2919-13%2822%2910%2814%2819%2925-16%2918-12%2821%299%2817%297-3-5-8%2820%296-4-7%2Fh3-6%2C9-11%2C14%2C20H%2C17H2%2C1-2H3%2C%28H%2C18%2C21%29%28H%2C23%2C24%29%2Ft9-%2C10-%2C11%3F%2C14%3F%2Fm1%2Fs1, 64.6313018798828, 0.0, 2.0, 1.74451267719269, , 7.0, 4.0, 27.0, 6.0, 5.0, 6.0, -1.32079994678497, 4.0, 2.23000001907349, 44.0, -2.14100003242493
-InChI%3D1S%2FC21H26ClN3OS%2Fc22-17-6-7-21-19%2816-17%2925%2818-4-1-2-5-20%2818%2927-21%299-3-8-23-10-12-24%2813-11-23%2914-15-26%2Fh1-2%2C4-7%2C16%2C26H%2C3%2C8-15H2, 65.2769012451172, 0.0, 3.0, 0.516960978507996, , 13.0, 1.0, 30.0, 12.0, 3.0, 12.0, 0.718999981880188, 6.0, 3.10999989509583, 53.0, 3.39100003242493
-InChI%3D1S%2FC15H12I3NO4%2Fc16-9-6-8%281-2-13%289%2920%2923-14-10%2817%293-7%284-11%2814%2918%295-12%2819%2915%2821%2922%2Fh1-4%2C6%2C12%2C20H%2C5%2C19H2%2C%28H%2C21%2C22%29%2Ft12-%2Fm0%2Fs1, 65.6519012451172, 0.0, 3.0, 6.56128215789795, , 14.0, 3.0, 24.0, 12.0, 6.0, 12.0, 2.56150007247925, 5.0, 2.23000001907349, 35.0, 2.21300005912781
-InChI%3D1S%2FC8H11NO3%2Fc9-4-8%2812%295-1-2-6%2810%297%2811%293-5%2Fh1-3%2C8%2C10-12H%2C4%2C9H2%2Ft8-%2Fm0%2Fs1, 20.0259990692139, 0.0, 2.0, 4.70716428756714, , 8.0, 4.0, 12.0, 6.0, 4.0, 6.0, -2.16960000991821, 2.0, 1.89999997615814, 23.0, -0.46000000834465
-InChI%3D1S%2FC10H16Br2N2O2%2Fc11-3-1-9%2815%2913-5-7-14%288-6-13%2910%2816%292-4-12%2Fh1-8H2, 69.4527969360352, 0.0, 3.0, 0.418867826461792, , 3.0, 0.0, 16.0, 0.0, 5.0, 0.0, 0.647199988365173, 6.0, 1.89999997615814, 32.0, 1.14999997615814
-InChI%3D1S%2FC47H51NO14%2Fc1-25-31%2860-43%2856%2936%2852%2935%2828-16-10-7-11-17-28%2948-41%2854%2929-18-12-8-13-19-29%2923-47%2857%2940%2861-42%2855%2930-20-14-9-15-21-30%2938-45%286%2C32%2851%2922-33-46%2838%2C24-58-33%2962-27%283%2950%2939%2853%2937%2859-26%282%2949%2934%2825%2944%2847%2C4%295%2Fh7-21%2C31-33%2C35-38%2C40%2C51-52%2C57H%2C22-24H2%2C1-6H3%2C%28H%2C48%2C54%29%2Ft31-%2C32-%2C33%2B%2C35-%2C36%2B%2C37%2B%2C38-%2C40-%2C45%3F%2C46%3F%2C47%2B%2Fm0%2Fs1, 138.074905395508, 3.0, 3.0, 2.63477826118469, , 9.0, 4.0, 68.0, 18.0, 9.0, 18.0, -1.62320005893707, 14.0, 4.98000001907349, 113.0, 6.63600015640259
-InChI%3D1S%2FC12H18O%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9%2C13H%2C1-4H3, 31.1002006530762, 0.0, 3.0, 0.469910264015198, , 7.0, 1.0, 13.0, 6.0, 3.0, 6.0, 0.685500025749207, 2.0, 2.67000007629395, 31.0, 4.42199993133545
-InChI%3D1S%2FC28H27NO4S%2Fc30-21-8-4-20%285-9-21%2928-26%2824-13-10-22%2831%2918-25%2824%2934-28%2927%2832%2919-6-11-23%2812-7-19%2933-17-16-29-14-2-1-3-15-29%2Fh4-13%2C18%2C30-31H%2C1-3%2C14-17H2, 50.3694000244141, 1.0, 2.0, 2.40963530540466, , 26.0, 2.0, 38.0, 22.0, 3.0, 21.0, -1.55229997634888, 7.0, 3.88000011444092, 61.0, 5.0770001411438
-InChI%3D1S%2FC11H10I2N2O4.Na%2Fc1-4%2816%2914-6-3-7%2815-5%282%2917%2910%2813%298%289%286%2912%2911%2818%2919%3B%2Fh3H%2C1-2H3%2C%28H%2C14%2C16%29%28H%2C15%2C17%29%28H%2C18%2C19%29%3B%2Fq%3B%2B1%2Fp-1, , 0.0, 0.0, , , 15.0, 2.0, 19.0, 6.0, 4.0, 6.0, , 3.0, 1.67999994754791, 29.0, 2.96700000762939
-InChI%3D1S%2FC33H40N2O9%2Fc1-38-19-7-8-20-21-9-10-35-16-18-13-27%2844-32%2836%2917-11-25%2839-2%2930%2841-4%2926%2812-17%2940-3%2931%2842-5%2928%2833%2837%2943-6%2922%2818%2915-24%2835%2929%2821%2934-23%2820%2914-19%2Fh7-8%2C11-12%2C14%2C18%2C22%2C24%2C27-28%2C31%2C34H%2C9-10%2C13%2C15-16H2%2C1-6H3%2Ft18%3F%2C22%3F%2C24-%2C27%3F%2C28%2B%2C31%2B%2Fm1%2Fs1, 99.9578018188477, 0.0, 0.0, 0.196958437561989, , 12.0, 1.0, 49.0, 16.0, 4.0, 12.0, -0.443800002336502, 10.0, 3.88000011444092, 83.0, 2.89499998092651
-InChI%3D1S%2FC6H7NO%2Fc8-5-6-2-1-3-7-4-6%2Fh1-4%2C8H%2C5H2, 7.27680015563965, 0.0, 0.0, 0.201331689953804, , 6.0, 1.0, 8.0, 6.0, 2.0, 6.0, -0.44870001077652, 1.0, 1.89999997615814, 15.0, 0.379999995231628
-InChI%3D1S%2FC20H21N7O6S2%2Fc21-6-11-4-2-1-3-10%2811%295-13%2828%2922-15-17%2831%2927-16%2819%2832%2933%2912%288-34-18%2815%2927%299-35-20-23-24-25-26%2820%297-14%2829%2930%2Fh1-4%2C15%2C18H%2C5-9%2C21H2%2C%28H%2C22%2C28%29%28H%2C29%2C30%29%28H%2C32%2C33%29%2Ft15%3F%2C18-%2Fm1%2Fs1, 91.2378997802734, 1.0, 2.0, 1.17332220077515, , 8.0, 4.0, 38.0, 11.0, 4.0, 11.0, -1.08319997787476, 10.0, 2.00999999046326, 56.0, -2.16499996185303
-InChI%3D1S%2FC22H26N2O2%2Fc1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17%2815%2924%2819%2816%2920%2822%2923%2918%2814-22%2921%2825%2926-4-2%2Fh5-6%2C8-9%2C14%2C20H%2C3-4%2C7%2C10-13H2%2C1-2H3%2Ft20-%2C22%3F%2Fm1%2Fs1, 69.7465972900391, 1.0, 2.0, 0.0619512088596821, , 14.0, 0.0, 30.0, 10.0, 5.0, 9.0, 0.24889999628067, 4.0, 3.44000005722046, 52.0, 5.11600017547607
-InChI%3D1S%2FC7H7NO2%2Fc8-7%2810%295-3-1-2-4-6%285%299%2Fh1-4%2C9H%2C%28H2%2C8%2C10%29, 11.0410003662109, 0.0, 0.0, 0.293655604124069, , 10.0, 3.0, 10.0, 6.0, 3.0, 6.0, -0.541899979114532, 1.0, 1.89999997615814, 17.0, 2.1159999370575
-InChI%3D1S%2FC9H11N%2Fc10-9-6-8%289%297-4-2-1-3-5-7%2Fh1-5%2C8-9H%2C6%2C10H2%2Ft8%3F%2C9-%2Fm1%2Fs1, 14.8746004104614, 0.0, 0.0, 0.723860621452332, , 6.0, 1.0, 11.0, 6.0, 0.0, 6.0, -0.850799977779388, 1.0, 2.33999991416931, 21.0, 3.18099999427795
-InChI%3D1S%2FC21H25NO3%2Fc1-12-6-7-21%2824%2916-10-14-4-5-15%2823%2918-17%2814%2920%2821%2C19%2812%2925-18%298-9-22%2816%2911-13-2-3-13%2Fh4-5%2C13%2C16%2C19%2C23-24H%2C1-3%2C6-11H2%2Ft16-%2C19%2B%2C20%2B%2C21-%2Fm1%2Fs1, 70.0578994750977, 0.0, 0.0, 0.194304645061493, , 8.0, 2.0, 30.0, 6.0, 0.0, 6.0, -0.44080001115799, 2.0, 3.32999992370605, 50.0, 1.55400002002716
-InChI%3D1S%2FC26H27ClN2O%2Fc1-28%2819-26%2830%2922-13-15-23%2827%2916-14-22%2917-6-18-29-24-9-4-2-7-20%2824%2911-12-21-8-3-5-10-25%2821%2929%2Fh2-5%2C7-10%2C13-16H%2C6%2C11-12%2C17-19H2%2C1H3, 49.0830993652344, 1.0, 3.0, 0.071502760052681, , 13.0, 0.0, 33.0, 18.0, 8.0, 18.0, 0.267399996519089, 7.0, 3.88000011444092, 57.0, 7.09999990463257
-InChI%3D1S%2FC9H6I3NO3%2Fc1-3%2814%2913-8-5%2811%292-4%2810%296%287%288%2912%299%2815%2916%2Fh2H%2C1H3%2C%28H%2C13%2C14%29%28H%2C15%2C16%29, 62.9586982727051, 0.0, 2.0, 15.5930213928223, , 12.0, 2.0, 16.0, 6.0, 4.0, 6.0, 3.9488000869751, 2.0, 1.67999994754791, 22.0, 3.76799988746643
-InChI%3D1S%2FC25H34O6%2Fc1-4-5-21-30-20-11-17-16-7-6-14-10-15%2827%298-9-23%2814%2C2%2922%2816%2918%2828%2912-24%2817%2C3%2925%2820%2C31-21%2919%2829%2913-26%2Fh8-10%2C16-18%2C20-22%2C26%2C28H%2C4-7%2C11-13H2%2C1-3H3%2Ft16-%2C17%3F%2C18-%2C20%2B%2C21%3F%2C22%3F%2C23-%2C24-%2C25%3F%2Fm0%2Fs1, 111.714698791504, 0.0, 3.0, 1.97149682044983, , 6.0, 2.0, 35.0, 0.0, 4.0, 0.0, -1.40409994125366, 4.0, 3.54999995231628, 65.0, 1.91400003433228
-InChI%3D1S%2FC22H29FO5%2Fc1-11-6-14-13-8-16%2823%2915-7-12%2825%294-5-20%2815%2C2%2919%2813%2917%2826%299-21%2814%2C3%2922%2811%2C28%2918%2827%2910-24%2Fh4-5%2C7%2C11%2C13-14%2C16-17%2C19%2C24%2C26%2C28H%2C6%2C8-10H2%2C1-3H3%2Ft11-%2C13%3F%2C14%2B%2C16%2B%2C17%2B%2C19-%2C20%2B%2C21%2B%2C22%2B%2Fm1%2Fs1, 101.097702026367, 0.0, 2.0, 0.649958431720734, , 6.0, 3.0, 31.0, 0.0, 4.0, 0.0, -0.80620002746582, 2.0, 3.22000002861023, 57.0, 1.03600001335144
-InChI%3D1S%2FC19H20FNO3%2Fc20-15-4-2-14%283-5-15%2916-7-8-21-10-19%2816%2922-11-13-1-6-17-18%289-13%2924-12-23-17%2Fh1-6%2C9%2C16%2C19%2C21H%2C7-8%2C10-12H2%2Ft16%3F%2C19-%2Fm1%2Fs1, 36.5125999450684, 0.0, 0.0, 1.01445186138153, , 8.0, 1.0, 27.0, 12.0, 2.0, 12.0, -1.00720000267029, 4.0, 3.0, 44.0, 3.59899997711182
-InChI%3D1S%2FC16H15ClN2OS%2Fc1-3-10-8-12-15%2811-6-4-5-7-13%2811%2917%2918-9-14%2820%2919%282%2916%2812%2921-10%2Fh4-8H%2C3%2C9H2%2C1-2H3, 46.5227012634277, 0.0, 2.0, 0.0667188912630081, , 16.0, 0.0, 23.0, 11.0, 2.0, 11.0, 0.258300006389618, 2.0, 2.67000007629395, 36.0, 3.22300004959106
-InChI%3D1S%2FC10H14ClN%2Fc1-10%282%2C12%297-8-5-3-4-6-9%288%2911%2Fh3-6H%2C7%2C12H2%2C1-2H3, 28.3603000640869, 0.0, 3.0, 0.827554106712341, , 6.0, 1.0, 12.0, 6.0, 5.0, 6.0, 0.909699976444244, 2.0, 2.33999991416931, 26.0, 3.25099992752075
-InChI%3D1S%2FC17H21N%2Fc1-15%2813-16-9-5-3-6-10-16%2918%282%2914-17-11-7-4-8-12-17%2Fh3-12%2C15H%2C13-14H2%2C1-2H3, 27.468900680542, 1.0, 3.0, 0.0362521596252918, , 6.0, 0.0, 19.0, 12.0, 6.0, 12.0, 0.190400004386902, 5.0, 3.22000002861023, 39.0, 7.11899995803833
-InChI%3D1S%2FC11H14ClN5%2Fc1-11%282%2916-9%2813%2915-10%2814%2917%2811%298-5-3-7%2812%294-6-8%2Fh3-6H%2C1-2H3%2C%28H4%2C13%2C14%2C15%2C16%29, 39.6129989624023, 0.0, 0.0, 0.192896634340286, , 13.0, 4.0, 18.0, 6.0, 0.0, 6.0, 0.439200013875961, 1.0, 2.00999999046326, 31.0, 4.7519998550415
-InChI%3D1S%2FC18H23N5O5%2Fc1-21-16-15%2817%2827%2922%282%2918%2821%2928%2923%2810-20-16%295-3-4-19-9-14%2826%2911-6-12%2824%298-13%2825%297-11%2Fh6-8%2C10%2C14%2C19%2C24-26H%2C3-5%2C9H2%2C1-2H3, 60.6153984069824, 0.0, 3.0, 6.96062707901001, , 8.0, 5.0, 30.0, 11.0, 7.0, 6.0, -2.6382999420166, 7.0, 2.33999991416931, 51.0, -0.976000010967255
-InChI%3D1S%2FC15H14O6%2Fc16-8-4-11%2818%299-6-13%2820%2915%2821-14%289%295-8%297-1-2-10%2817%2912%2819%293-7%2Fh1-5%2C13%2C15-20H%2C6H2%2Ft13%3F%2C15-%2Fm1%2Fs1, 26.1033000946045, 0.0, 0.0, 6.22003602981567, , 9.0, 5.0, 23.0, 12.0, 0.0, 12.0, -2.49399995803833, 1.0, 2.45000004768372, 35.0, 0.40599998831749
-InChI%3D1S%2FC17H14O4S%2Fc1-22%2819%2C20%2914-9-7-12%288-10-14%2915-11-21-17%2818%2916%2815%2913-5-3-2-4-6-13%2Fh2-10H%2C11H2%2C1H3, 33.2206001281738, 0.0, 0.0, 0.106145642697811, , 20.0, 0.0, 24.0, 12.0, 3.0, 12.0, -0.325800001621246, 3.0, 2.77999997138977, 36.0, 4.76700019836426
-InChI%3D1S%2FC9H10O2%2Fc1-2-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6%2C10H%2C2H2%2C1H3, 18.3584995269775, 0.0, 3.0, 0.407043993473053, , 9.0, 1.0, 11.0, 6.0, 4.0, 6.0, -0.638000011444092, 2.0, 2.23000001907349, 21.0, 1.58800005912781
-InChI%3D1S%2FC24H30N2O2%2Fc1-2-26-19-22%2813-14-25-15-17-28-18-16-25%2924%2823%2826%2927%2C20-9-5-3-6-10-20%2921-11-7-4-8-12-21%2Fh3-12%2C22H%2C2%2C13-19H2%2C1H3, 58.557201385498, 1.0, 2.0, 1.73527932167053, , 6.0, 0.0, 31.0, 12.0, 2.0, 12.0, -1.31729996204376, 6.0, 3.66000008583069, 58.0, 6.24599981307983
-InChI%3D1S%2FC14H12O3S%2Fc1-9%2814%2816%2917%2911-7-8-12%2818-11%2913%2815%2910-5-3-2-4-6-10%2Fh2-9H%2C1H3%2C%28H%2C16%2C17%29, 29.7129001617432, 0.0, 3.0, 0.145771235227585, , 13.0, 1.0, 19.0, 11.0, 5.0, 11.0, 0.3817999958992, 4.0, 2.55999994277954, 30.0, 3.88899993896484
-InChI%3D1S%2FC27H37FO6%2Fc1-5-6-7-23%2833%2934-27%2822%2832%2915-29%2916%282%2912-20-19-9-8-17-13-18%2830%2910-11-24%2817%2C3%2926%2819%2C28%2921%2831%2914-25%2820%2C27%294%2Fh10-11%2C13%2C16%2C19-21%2C29%2C31H%2C5-9%2C12%2C14-15H2%2C1-4H3%2Ft16-%2C19-%2C20%3F%2C21-%2C24-%2C25-%2C26%3F%2C27-%2Fm0%2Fs1, 121.293502807617, 0.0, 5.0, 1.1335860490799, , 6.0, 2.0, 37.0, 0.0, 7.0, 0.0, -1.06470000743866, 7.0, 3.66000008583069, 71.0, 2.83999991416931
-InChI%3D1S%2FC23H33N2O2%2Fc1-4-10-25-17-11-14%2813%285-2%2922%2825%2927%2919-18%2825%2912-23%2821%2819%2926%2915-8-6-7-9-16%2815%2924%283%2920%2817%2923%2Fh6-9%2C13-14%2C17-22%2C26-27H%2C4-5%2C10-12H2%2C1-3H3%2Fq%2B1%2Ft13-%2C14-%2C17-%2C18-%2C19%3F%2C20-%2C21%2B%2C22%2B%2C23%3F%2C25%3F%2Fm0%2Fs1, 73.1718978881836, 0.0, 3.0, 14.0647497177124, , 7.0, 2.0, 32.0, 6.0, 3.0, 6.0, -3.75029993057251, 3.0, 3.54999995231628, 60.0, 3.20000004768372
-InChI%3D1S%2FC41H64O13%2Fc1-20-36%2846%2929%2842%2916-34%2849-20%2953-38-22%283%2951-35%2818-31%2838%2944%2954-37-21%282%2950-33%2817-30%2837%2943%2952-25-8-11-39%284%2924%2815-25%296-7-28-27%2839%299-12-40%285%2926%2810-13-41%2828%2C40%2947%2923-14-32%2845%2948-19-23%2Fh14%2C20-22%2C24-31%2C33-38%2C42-44%2C46-47H%2C6-13%2C15-19H2%2C1-5H3%2Ft20-%2C21-%2C22-%2C24-%2C25%2B%2C26-%2C27%2B%2C28%3F%2C29%2B%2C30%2B%2C31%2B%2C33%2B%2C34%2B%2C35%2B%2C36-%2C37-%2C38-%2C39%2B%2C40-%2C41%3F%2Fm1%2Fs1, 183.366897583008, 1.0, 0.0, 9.64164638519287, , 5.0, 5.0, 61.0, 0.0, 0.0, 0.0, -3.10509991645813, 7.0, 4.53999996185303, 118.0, 3.41499996185303
-InChI%3D1S%2FC22H22N6O7S2%2Fc1-22%282%2C20%2833%2934%2935-26-13%2812-10-37-21%2823%2924-12%2916%2829%2925-14-17%2830%2928-15%2819%2831%2932%2911%289-36-18%2814%2928%298-27-6-4-3-5-7-27%2Fh3-7%2C10%2C14%2C18H%2C8-9H2%2C1-2H3%2C%28H4-%2C23%2C24%2C25%2C29%2C31%2C32%2C33%2C34%29%2Ft14%3F%2C18-%2Fm1%2Fs1, 106.741500854492, 0.0, 3.0, 4.33514022827148, , 8.0, 4.0, 40.0, 6.0, 12.0, 0.0, -2.08209991455078, 9.0, 2.23000001907349, 62.0, 0.726000010967255
-InChI%3D1S%2FC29H36O4%2Fc1-18%2830%2929-25%2832-28%284%2C33-29%2919-8-6-5-7-9-19%2917-24-22-11-10-20-16-21%2831%2912-14-26%2820%2C2%2923%2822%2913-15-27%2824%2C29%293%2Fh5-9%2C16%2C22-25H%2C10-15%2C17H2%2C1-4H3%2Ft22%3F%2C23-%2C24-%2C25%2B%2C26%3F%2C27-%2C28%2B%2C29%3F%2Fm0%2Fs1, 100.972801208496, 1.0, 0.0, 0.0548028089106083, , 6.0, 0.0, 38.0, 6.0, 2.0, 6.0, 0.234099999070168, 2.0, 4.21000003814697, 69.0, 6.33199977874756
-InChI%3D1S%2FC18H19Cl2NO4%2Fc1-5-25-18%2823%2914-10%283%2921-9%282%2913%2817%2822%2924-4%2915%2814%2911-7-6-8-12%2819%2916%2811%2920%2Fh6-8%2C15%2C21H%2C5H2%2C1-4H3, 74.7667007446289, 0.0, 2.0, 3.75119423866272, , 11.0, 1.0, 26.0, 6.0, 5.0, 6.0, 1.93680000305176, 6.0, 2.67000007629395, 44.0, 4.42700004577637
-InChI%3D1S%2FC6H8ClNS%2Fc1-5-6%282-3-7%299-4-8-5%2Fh4H%2C2-3H2%2C1H3, 26.7653999328613, 0.0, 2.0, 2.24400401115417, , 5.0, 1.0, 9.0, 5.0, 3.0, 5.0, 1.49800002574921, 2.0, 1.78999996185303, 17.0, 2.03200006484985
-InChI%3D1S%2FC7H15NO3%2Fc1-8%282%2C3%295-6%289%294-7%2810%2911%2Fh6%2C9H%2C4-5H2%2C1-3H3, 37.255500793457, 0.0, 4.0, 6.34485721588135, , 3.0, 1.0, 10.0, 0.0, 11.0, 0.0, -2.51889991760254, 4.0, 1.78999996185303, 26.0, -1.74100005626678
-InChI%3D1S%2FC15H26N2%2Fc1-3-7-16-11-13-9-12%2814%2816%295-1%2910-17-8-4-2-6-15%2813%2917%2Fh12-15H%2C1-11H2%2Ft12%3F%2C13%3F%2C14-%2C15%2B, 59.3811988830566, 0.0, 0.0, 5.31671380996704, , 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, -2.30579996109009, 0.0, 2.89000010490417, 43.0, 2.11999988555908
-InChI%3D1S%2FC6H14O6%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-12H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6-%2Fm1%2Fs1, 38.4035987854004, 1.0, 6.0, 8.64477634429932, , 0.0, 6.0, 11.0, 0.0, 12.0, 0.0, -2.94020009040833, 5.0, 1.46000003814697, 26.0, -3.89599990844727
-InChI%3D1S%2FC20H21NO4%2Fc1-22-17-4-3-12-7-16-14-9-19-18%2824-11-25-19%298-13%2814%295-6-21%2816%2910-15%2812%2920%2817%2923-2%2Fh3-4%2C8-9%2C16H%2C5-7%2C10-11H2%2C1-2H3, 47.1412010192871, 0.0, 0.0, 0.0104652903974056, , 8.0, 0.0, 29.0, 12.0, 2.0, 12.0, -0.102300003170967, 2.0, 3.10999989509583, 46.0, 2.47499990463257
-InChI%3D1S%2FC23H29N3O2S2%2Fc1-24%282%2930%2827%2C28%2918-10-11-23-21%2817-18%2919%2820-7-4-5-9-22%2820%2929-23%298-6-12-26-15-13-25%283%2914-16-26%2Fh4-5%2C7-11%2C17H%2C6%2C12-16H2%2C1-3H3, 77.3923034667969, 0.0, 3.0, 0.000876159989275038, , 18.0, 0.0, 33.0, 12.0, 6.0, 12.0, 0.0296000000089407, 5.0, 3.22000002861023, 59.0, 3.21600008010864
-InChI%3D1S%2FC20H24N2O6%2Fc1-11%282%2910-28-20%2824%2917-13%284%2921-12%283%2916%2819%2823%2927-5%2918%2817%2914-8-6-7-9-15%2814%2922%2825%2926%2Fh6-9%2C11%2C18%2C21H%2C10H2%2C1-5H3, 75.4107971191406, 0.0, 3.0, 0.401195555925369, , 11.0, 1.0, 29.0, 6.0, 7.0, 6.0, 0.633400022983551, 8.0, 2.77999997138977, 52.0, 4.98799991607666
-InChI%3D1S%2FC9H11NO2%2Fc10-8%289%2811%2912%296-7-4-2-1-3-5-7%2Fh1-5%2C8H%2C6%2C10H2%2C%28H%2C11%2C12%29, 19.6296005249023, 0.0, 3.0, 1.17592334747314, , 6.0, 2.0, 12.0, 6.0, 6.0, 6.0, -1.08440005779266, 3.0, 2.11999988555908, 23.0, 0.441000014543533
-InChI%3D1S%2FC16H12N4O9S2.3Na%2Fc21-15-13%2818-17-9-1-5-11%286-2-9%2930%2824%2C25%2926%2914%2816%2822%2923%2919-20%2815%2910-3-7-12%288-4-10%2931%2827%2C28%2929%3B%3B%3B%2Fh1-8%2C19H%2C%28H%2C22%2C23%29%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%3B%3B%3B%2Fq%3B3%2A%2B1%2Fp-3%2Fb18-17%2B%3B%3B%3B, , 1.0, 0.0, , , 14.0, 1.0, 33.0, 12.0, 3.0, 12.0, , 6.0, 1.24000000953674, 45.0, 0.305999994277954
-InChI%3D1S%2FC23H45N5O14%2Fc24-2-7-13%2832%2915%2834%2910%2827%2921%2837-7%2941-19-9%284-30%2939-23%2817%2819%2936%2942-20-12%2831%295%2825%291-6%2826%2918%2820%2940-22-11%2828%2916%2835%2914%2833%298%283-29%2938-22%2Fh5-23%2C29-36H%2C1-4%2C24-28H2%2Ft5-%2C6%2B%2C7%2B%2C8-%2C9-%2C10%3F%2C11-%2C12%2B%2C13-%2C14-%2C15-%2C16-%2C17-%2C18-%2C19%3F%2C20%3F%2C21-%2C22%3F%2C23%2B%2Fm1%2Fs1, 132.289001464844, 2.0, 0.0, 81.3513793945312, , 0.0, 13.0, 45.0, 0.0, 2.0, 0.0, -9.01949977874756, 9.0, 1.89999997615814, 87.0, -6.84700012207031
-InChI%3D1S%2FC6H12O6%2Fc7-1-3-4%289%295%2810%296%2811%2C2-8%2912-3%2Fh3-5%2C7-11H%2C1-2H2%2Ft3%3F%2C4-%2C5%2B%2C6-%2Fm1%2Fs1, 36.3608016967773, 0.0, 0.0, 6.57204484939575, , 0.0, 5.0, 12.0, 0.0, 2.0, 0.0, -2.56360006332397, 2.0, 1.46000003814697, 24.0, -1.74000000953674
-InChI%3D1S%2FC18H20N2S%2Fc1-19-11-10-14%2812-19%2913-20-15-6-2-4-8-17%2815%2921-18-9-5-3-7-16%2818%2920%2Fh2-9%2C14H%2C10-13H2%2C1H3, 39.1371994018555, 0.0, 0.0, 0.0255999993532896, , 13.0, 0.0, 24.0, 12.0, 0.0, 12.0, 0.159999996423721, 2.0, 3.10999989509583, 41.0, 4.38299989700317
-InChI%3D1S%2FC4H7NO4%2Fc5-2%284%288%299%291-3%286%297%2Fh2H%2C1%2C5H2%2C%28H%2C6%2C7%29%28H%2C8%2C9%29%2Ft2-%2Fm0%2Fs1, 26.5326995849609, 0.0, 4.0, 1.82736325263977, , 3.0, 3.0, 8.0, 0.0, 9.0, 0.0, -1.35179996490479, 3.0, 1.35000002384186, 16.0, -3.70700001716614
-InChI%3D1S%2FC16H23NO%2Fc1-13-6-8-15%289-7-13%2916%2818%2914%282%2912-17-10-4-3-5-11-17%2Fh6-9%2C14H%2C3-5%2C10-12H2%2C1-2H3, 45.9715995788574, 0.0, 3.0, 0.020448999479413, , 8.0, 0.0, 19.0, 6.0, 5.0, 6.0, -0.14300000667572, 4.0, 3.0, 41.0, 4.0939998626709
-InChI%3D1S%2FC20H32O%2Fc1-3-20%2821%2913-11-18-17-9-8-14-6-4-5-7-15%2814%2916%2817%2910-12-19%2818%2C20%292%2Fh6%2C15-18%2C21H%2C3-5%2C7-13H2%2C1-2H3%2Ft15-%2C16%2B%2C17%3F%2C18-%2C19-%2C20-%2Fm0%2Fs1, 83.0036010742188, 1.0, 2.0, 0.0635544136166573, , 2.0, 1.0, 24.0, 0.0, 2.0, 0.0, 0.252099990844727, 1.0, 3.54999995231628, 53.0, 6.09000015258789
-InChI%3D1S%2FC17H18FN3O3%2Fc18-13-7-11-14%288-15%2813%2920-5-3-19-4-6-20%2921%2810-1-2-10%299-12%2816%2811%2922%2917%2823%2924%2Fh7-10%2C19H%2C1-6H2%2C%28H%2C23%2C24%29, 58.9375, 0.0, 0.0, 1.27916097640991, , 10.0, 2.0, 27.0, 6.0, 2.0, 6.0, -1.13100004196167, 3.0, 2.55999994277954, 44.0, 0.612999975681305
-InChI%3D1S%2FC43H74N2O14%2Fc1-24-21-29%2819-20-46%2939%2859-42-37%2849%2936%2845%289%2910%2938%2827%284%2956-42%2958-35-23-43%286%2C51%2941%2850%2928%285%2955-35%2940%2852-11%2931%2847%2922-33%2848%2953-25%282%2915-13-12-14-16-32%2824%2957-34-18-17-30%2844%287%298%2926%283%2954-34%2Fh12-14%2C16%2C20%2C24-32%2C34-42%2C47%2C49-51H%2C15%2C17-19%2C21-23H2%2C1-11H3%2Fb13-12-%2C16-14-%2Ft24%3F%2C25-%2C26-%2C27-%2C28%2B%2C29%3F%2C30%2B%2C31-%2C32%2B%2C34-%2C35%2B%2C36-%2C37-%2C38-%2C39%2B%2C40%2B%2C41%2B%2C42%3F%2C43-%2Fm1%2Fs1, 212.918395996094, 2.0, 2.0, 5.18837261199951, , 4.0, 4.0, 62.0, 0.0, 3.0, 0.0, -2.2778000831604, 11.0, 4.42999982833862, 133.0, 1.92900002002716
-InChI%3D1S%2FC45H76N2O15%2Fc1-25-22-31%2820-21-48%2941%2862-44-39%2851%2938%2847%2810%2911%2940%2828%284%2958-44%2961-37-24-45%287%2C53%2943%2852%2929%285%2957-37%2942%2854-12%2934%2859-30%286%2949%2923-35%2850%2955-26%282%2916-14-13-15-17-33%2825%2960-36-19-18-32%2846%288%299%2927%283%2956-36%2Fh13-15%2C17%2C21%2C25-29%2C31-34%2C36-44%2C51-53H%2C16%2C18-20%2C22-24H2%2C1-12H3%2Fb14-13-%2C17-15-%2Ft25%3F%2C26-%2C27-%2C28-%2C29%2B%2C31%3F%2C32%2B%2C33%2B%2C34-%2C36-%2C37%2B%2C38-%2C39-%2C40-%2C41%2B%2C42%2B%2C43%2B%2C44%3F%2C45-%2Fm1%2Fs1, 222.069900512695, 2.0, 2.0, 3.60506176948547, , 4.0, 3.0, 65.0, 0.0, 4.0, 0.0, -1.89869999885559, 13.0, 4.53999996185303, 138.0, 2.66899991035461
-InChI%3D1S%2FC17H25N%2Fc1-4-10-16%2811-5-1%2917%2812-6-2-7-13-17%2918-14-8-3-9-15-18%2Fh1%2C4-5%2C10-11H%2C2-3%2C6-9%2C12-15H2, 40.9986000061035, 1.0, 0.0, 2.14710402488708, , 6.0, 0.0, 20.0, 6.0, 0.0, 6.0, -1.46529996395111, 2.0, 3.22000002861023, 43.0, 5.65700006484985
-InChI%3D1S%2FC13H9F3N2O2%2Fc14-13%2815%2C16%298-3-1-4-9%287-8%2918-11-10%2812%2819%2920%295-2-6-17-11%2Fh1-7H%2C%28H%2C17%2C18%29%28H%2C19%2C20%29, 16.9538993835449, 0.0, 0.0, 0.191756412386894, , 16.0, 2.0, 21.0, 12.0, 3.0, 12.0, 0.437900006771088, 4.0, 2.11999988555908, 29.0, 4.37200021743774
-InChI%3D1S%2FC8H13NO2%2Fc1-9-5-3-4-7%286-9%298%2810%2911-2%2Fh4H%2C3%2C5-6H2%2C1-2H3, 42.0176010131836, 0.0, 0.0, 0.0179828107357025, , 5.0, 0.0, 11.0, 0.0, 4.0, 0.0, 0.134100005030632, 2.0, 2.00999999046326, 24.0, 0.172000005841255
-InChI%3D1S%2FC10H15NO%2Fc1-8%2811-2%2910%2812%299-6-4-3-5-7-9%2Fh3-8%2C10-12H%2C1-2H3%2Ft8-%2C10-%2Fm0%2Fs1, 24.2558002471924, 0.0, 3.0, 0.685418426990509, , 6.0, 2.0, 12.0, 6.0, 6.0, 6.0, -0.827899992465973, 3.0, 2.33999991416931, 27.0, 2.51999998092651
-InChI%3D1S%2FC13H18O2%2Fc1-9%282%298-11-4-6-12%287-5-11%2910%283%2913%2814%2915%2Fh4-7%2C9-10H%2C8H2%2C1-3H3%2C%28H%2C14%2C15%29, 35.5957984924316, 1.0, 3.0, 0.900790810585022, , 6.0, 1.0, 15.0, 6.0, 5.0, 6.0, 0.949100017547607, 4.0, 2.67000007629395, 33.0, 5.34200000762939
-InChI%3D1S%2FC23H30O6%2Fc1-13%2824%2929-12-19%2827%2923%2828%299-7-17-16-5-4-14-10-15%2825%296-8-21%2814%2C2%2920%2816%2918%2826%2911-22%2817%2C23%293%2Fh10%2C16-17%2C20%2C28H%2C4-9%2C11-12H2%2C1-3H3%2Ft16%3F%2C17-%2C20%2B%2C21-%2C22-%2C23-%2Fm0%2Fs1, 104.634201049805, 0.0, 2.0, 0.401448965072632, , 4.0, 1.0, 32.0, 0.0, 7.0, 0.0, -0.633599996566772, 4.0, 3.32999992370605, 59.0, 0.45100000500679
-InChI%3D1S%2FC20H34O5%2Fc1-2-3-6-9-15%2821%2912-13-17-16%2818%2822%2914-19%2817%2923%2910-7-4-5-8-11-20%2824%2925%2Fh12-13%2C15-17%2C19%2C21%2C23H%2C2-11%2C14H2%2C1H3%2C%28H%2C24%2C25%29%2Fb13-12%2B%2Ft15-%2C16%2B%2C17%3F%2C19%3F%2Fm0%2Fs1, 83.9749984741211, 1.0, 8.0, 11.8026599884033, , 3.0, 3.0, 25.0, 0.0, 9.0, 0.0, -3.43549990653992, 13.0, 3.10999989509583, 59.0, 3.30599999427795
-InChI%3D1S%2FC11H11N5%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29, 26.8635005950928, 0.0, 0.0, 2.28010010719299, , 8.0, 3.0, 17.0, 6.0, 2.0, 6.0, -1.50999999046326, 2.0, 2.11999988555908, 31.0, 3.03500008583069
-InChI%3D1S%2FC20H32O5%2Fc1-2-3-4-7-14%2821%2910-11-16-17-12-15%288-5-6-9-20%2823%2924%2925-19%2817%2913-18%2816%2922%2Fh8%2C10-11%2C14%2C16-19%2C21-22H%2C2-7%2C9%2C12-13H2%2C1H3%2C%28H%2C23%2C24%29%2Fb11-10%2B%2C15-8-%2Ft14-%2C16%2B%2C17%3F%2C18%2B%2C19-%2Fm0%2Fs1, 86.9664993286133, 0.0, 8.0, 8.48556900024414, , 3.0, 3.0, 26.0, 0.0, 9.0, 0.0, -2.91300010681152, 10.0, 3.10999989509583, 57.0, 2.9760000705719
-InChI%3D1S%2FC18H22N2S%2Fc1-14%2812-19%282%293%2913-20-15-8-4-6-10-17%2815%2921-18-11-7-5-9-16%2818%2920%2Fh4-11%2C14H%2C12-13H2%2C1-3H3, 42.9426002502441, 0.0, 3.0, 0.956875264644623, , 13.0, 0.0, 23.0, 12.0, 7.0, 12.0, 0.978200018405914, 4.0, 3.10999989509583, 43.0, 4.65799999237061
-InChI%3D1S%2FC20H24ClN3O2%2Fc1-26-19-12-18%2822%2917%2821%2911-16%2819%2920%2825%2923-15-7-9-24%2810-8-15%2913-14-5-3-2-4-6-14%2Fh2-6%2C11-12%2C15H%2C7-10%2C13%2C22H2%2C1H3%2C%28H%2C23%2C25%29, 51.7921981811523, 0.0, 0.0, 0.688070237636566, , 11.0, 2.0, 28.0, 12.0, 3.0, 12.0, -0.829500019550323, 5.0, 3.0, 50.0, 4.23299980163574
-InChI%3D1S%2FC20H21NO4%2Fc1-22-17-6-5-13%2810-18%2817%2923-2%299-16-15-12-20%2825-4%2919%2824-3%2911-14%2815%297-8-21-16%2Fh5-8%2C10-12H%2C9H2%2C1-4H3, 34.0177993774414, 0.0, 0.0, 0.0129960002377629, , 12.0, 0.0, 27.0, 17.0, 2.0, 16.0, 0.114000000059605, 6.0, 3.10999989509583, 46.0, 3.36299991607666
-InChI%3D1S%2FC16H18N2O5S%2Fc1-16%282%2912%2815%2821%2922%2918-13%2820%2911%2814%2818%2924-16%2917-10%2819%298-23-9-6-4-3-5-7-9%2Fh3-7%2C11-12%2C14H%2C8H2%2C1-2H3%2C%28H%2C17%2C19%29%28H%2C21%2C22%29%2Ft11%3F%2C12-%2C14%2B%2Fm0%2Fs1, 60.7028999328613, 0.0, 2.0, 0.0957283601164818, , 7.0, 2.0, 26.0, 6.0, 5.0, 6.0, -0.309399992227554, 5.0, 2.33999991416931, 42.0, 1.7389999628067
-InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3, 12.555100440979, 0.0, 2.0, 0.0115777598693967, , 0.0, 1.0, 2.0, 0.0, 3.0, 0.0, -0.107600003480911, 0.0, 1.57000005245209, 9.0, -0.0759999975562096
-InChI%3D1S%2FC8H8Cl3N3O4S2%2Fc9-3-1-4-6%282-5%283%2919%2812%2C15%2916%2920%2817%2C18%2914-8%2813-4%297%2810%2911%2Fh1-2%2C7-8%2C13-14H%2C%28H2%2C12%2C15%2C16%29, 49.7582015991211, 0.0, 0.0, 0.0472192913293839, , 15.0, 3.0, 21.0, 6.0, 3.0, 6.0, -0.217299997806549, 2.0, 1.01999998092651, 28.0, -0.0430000014603138
-InChI%3D1S%2FC25H37NO4%2Fc27-20-23-18-22%2813-14-24%2823%2928%2925%2829%2919-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21%2Fh3-5%2C10-11%2C13-14%2C18%2C25-29H%2C1-2%2C6-9%2C12%2C15-17%2C19-20H2, 61.9067993164062, 2.0, 6.0, 13.0566596984863, , 7.0, 4.0, 31.0, 12.0, 15.0, 12.0, -3.61339998245239, 16.0, 3.66000008583069, 67.0, 5.94099998474121
-InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6-%2Fm1%2Fs1, 50.472599029541, 0.0, 6.0, 0.0585639998316765, , 0.0, 4.0, 11.0, 0.0, 12.0, 0.0, -0.241999998688698, 5.0, 1.46000003814697, 24.0, -0.272000014781952
-InChI%3D1S%2FC4H6N2S%2Fc1-6-3-2-5-4%286%297%2Fh2-3H%2C1H3%2C%28H%2C5%2C7%29, 17.2863006591797, 0.0, 0.0, 0.392502248287201, , 0.0, 1.0, 7.0, 5.0, 0.0, 0.0, 0.626500010490417, 0.0, 1.57000005245209, 13.0, 0.552999973297119
-InChI%3D1S%2FC12H14N4O4S%2Fc1-19-10-11%2814-7-15-12%2810%2920-2%2916-21%2817%2C18%299-5-3-8%2813%294-6-9%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29, 29.9953002929688, 0.0, 0.0, 3.20409989356995, , 19.0, 2.0, 22.0, 12.0, 4.0, 12.0, -1.78999996185303, 5.0, 1.78999996185303, 35.0, 0.35699999332428
-InChI%3D1S%2FC21H25NO%2Fc1-22-18-12-13-19%2822%2915-20%2814-18%2923-21%2816-8-4-2-5-9-16%2917-10-6-3-7-11-17%2Fh2-11%2C18-21H%2C12-15H2%2C1H3%2Ft18-%2C19-%2Fm1%2Fs1, 35.4518013000488, 1.0, 0.0, 1.93822085857391, , 6.0, 0.0, 26.0, 12.0, 2.0, 12.0, -1.39219999313354, 4.0, 3.54999995231628, 48.0, 6.84899997711182
-InChI%3D1S%2FC42H30N6O12%2Fc49-37%2825-7-1-13-43-19-25%2955-31-32%2856-38%2850%2926-8-2-14-44-20-26%2934%2858-40%2852%2928-10-4-16-46-22-28%2936%2860-42%2854%2930-12-6-18-48-24-30%2935%2859-41%2853%2929-11-5-17-47-23-29%2933%2831%2957-39%2851%2927-9-3-15-45-21-27%2Fh1-24%2C31-36H%2Ft31-%2C32-%2C33%3F%2C34%3F%2C35-%2C36%2B%2Fm0%2Fs1, 58.1375999450684, 2.0, 0.0, 0.720800995826721, , 9.0, 0.0, 66.0, 36.0, 3.0, 36.0, -0.848999977111816, 18.0, 4.09999990463257, 90.0, 4.71000003814697
-InChI%3D1S%2FC11H15ClO2%2Fc1-10%282%2C13%2911%283%2C14%298-4-6-9%2812%297-5-8%2Fh4-7%2C13-14H%2C1-3H3, 32.5483016967773, 0.0, 4.0, 0.327641755342484, , 6.0, 2.0, 14.0, 6.0, 7.0, 6.0, 0.572399973869324, 2.0, 2.33999991416931, 29.0, 2.49399995803833
-InChI%3D1S%2FC43H75NO16%2Fc1-15-29-43%2811%2C52%2936%2848%2924%285%2933%2847%2922%283%2920-41%289%2C51%2938%2825%286%2934%2826%287%2939%2850%2957-29%2959-32-21-42%2810%2C53-14%2937%2849%2927%288%2956-32%2960-40-35%2828%2844%2812%2913%2919-23%284%2955-40%2958-31%2846%2918-17-30%2845%2954-16-2%2Fh22-29%2C32%2C34-38%2C40%2C48-49%2C51-52H%2C15-21H2%2C1-14H3%2Ft22-%2C23-%2C24%2B%2C25%2B%2C26-%2C27%2B%2C28%2B%2C29-%2C32%2B%2C34%2B%2C35%3F%2C36-%2C37%2B%2C38-%2C40%2B%2C41-%2C42-%2C43-%2Fm1%2Fs1, 210.588500976562, 2.0, 4.0, 3.10358691215515, , 3.0, 4.0, 62.0, 0.0, 10.0, 0.0, -1.76170003414154, 14.0, 4.32000017166138, 135.0, 1.99500000476837
-InChI%3D1S%2FC10H13NO2%2Fc1-3-13-10-6-4-9%285-7-10%2911-8%282%2912%2Fh4-7H%2C3H2%2C1-2H3%2C%28H%2C11%2C12%29, 25.5104007720947, 0.0, 2.0, 0.0161036103963852, , 10.0, 1.0, 13.0, 6.0, 4.0, 6.0, 0.126900002360344, 3.0, 2.23000001907349, 26.0, 2.60800004005432
-InChI%3D1S%2FC13H19NO4S%2Fc1-3-9-14%2810-4-2%2919%2817%2C18%2912-7-5-11%286-8-12%2913%2815%2916%2Fh5-8H%2C3-4%2C9-10H2%2C1-2H3%2C%28H%2C15%2C16%29, 45.4058990478516, 0.0, 3.0, 2.64550232887268, , 13.0, 1.0, 19.0, 6.0, 10.0, 6.0, -1.62650001049042, 7.0, 2.23000001907349, 38.0, 2.30800008773804
-InChI%3D1S%2FC16H13N3O3%2Fc1-18-14-8-7-12%2819%2821%2922%299-13%2814%2916%2817-10-15%2818%2920%2911-5-3-2-4-6-11%2Fh2-9H%2C10H2%2C1H3, 27.1891002655029, 0.0, 0.0, 0.785882234573364, , 20.0, 0.0, 24.0, 12.0, 2.0, 12.0, -0.886500000953674, 2.0, 2.55999994277954, 35.0, 3.64299988746643
-InChI%3D1S%2FC16H14F3N3O2S%2Fc1-10-13%2820-7-6-14%2810%2924-9-16%2817%2C18%2919%298-25%2823%2915-21-11-4-2-3-5-12%2811%2922-15%2Fh2-7H%2C8-9H2%2C1H3%2C%28H%2C21%2C22%29, 32.1454010009766, 0.0, 2.0, 1.18374395370483, , 8.0, 2.0, 27.0, 16.0, 6.0, 12.0, 1.08800005912781, 6.0, 2.23000001907349, 38.0, 2.85500001907349
-InChI%3D1S%2FC24H30N2O2S%2Fc1-18%2828%2920-7-8-24-22%2817-20%2926%2821-5-2-3-6-23%2821%2929-24%2913-4-12-25-14-9-19%2810-15-25%2911-16-27%2Fh2-3%2C5-8%2C17%2C19%2C27H%2C4%2C9-16H2%2C1H3, 64.934700012207, 0.0, 3.0, 2.24190735816956, , 15.0, 1.0, 32.0, 12.0, 3.0, 12.0, -1.49730002880096, 7.0, 3.54999995231628, 59.0, 4.25
-InChI%3D1S%2FC10H12N4O5S.Na%2Fc1-14-7-4-8%2815%296%2812-13-10%2811%2916%292-5%287%293-9%2814%2920%2817%2C18%2919%3B%2Fh2%2C4%2C9H%2C3H2%2C1H3%2C%28H3%2C11%2C13%2C16%29%28H%2C17%2C18%2C19%29%3B%2Fq%3B%2B1%2Fp-1%2Fb12-6%2B%3B, , 0.0, 0.0, , , 13.0, 3.0, 21.0, 0.0, 5.0, 0.0, , 3.0, 1.35000002384186, 32.0, 0.40599998831749
-InChI%3D1S%2FC42H38O20%2Fc43-11-23-31%2847%2935%2851%2937%2853%2941%2861-23%2959-21-5-1-3-15-25%2817-7-13%2839%2855%2956%299-19%2845%2927%2817%2933%2849%2929%2815%2921%2926-16-4-2-6-22%2860-42-38%2854%2936%2852%2932%2848%2924%2812-44%2962-42%2930%2816%2934%2850%2928-18%2826%298-14%2840%2857%2958%2910-20%2828%2946%2Fh1-10%2C23-26%2C31-32%2C35-38%2C41-48%2C51-54H%2C11-12H2%2C%28H%2C55%2C56%29%28H%2C57%2C58%29%2Ft23-%2C24%3F%2C25-%2C26-%2C31-%2C32-%2C35%2B%2C36%2B%2C37-%2C38-%2C41%3F%2C42-%2Fm1%2Fs1, 107.664199829102, 2.0, 0.0, 40.2615623474121, , 19.0, 12.0, 69.0, 24.0, 2.0, 24.0, -6.3452000617981, 9.0, 3.88000011444092, 100.0, 0.662000000476837
-InChI%3D1S%2FC34H28N6O14S4.4Na%2Fc1-15-11-17%283-7-21%2815%2937-39-23-9-5-19-25%2855%2843%2C44%2945%2913-27%2857%2849%2C50%2951%2931%2835%2929%2819%2933%2823%2941%2918-4-8-22%2816%282%2912-18%2938-40-24-10-6-20-26%2856%2846%2C47%2948%2914-28%2858%2852%2C53%2954%2932%2836%2930%2820%2934%2824%2942%3B%3B%3B%3B%2Fh3-14%2C41-42H%2C35-36H2%2C1-2H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29%3B%3B%3B%3B%2Fq%3B4%2A%2B1%2Fp-4%2Fb39-37%2B%2C40-38%2B%3B%3B%3B%3B, , 1.0, 0.0, , , 56.0, 4.0, 63.0, 34.0, 3.0, 32.0, , 9.0, 2.11999988555908, 86.0, 4.69799995422363
-InChI%3D1S%2FC19H29IO2%2Fc1-3-22-19%2821%2914-9-7-5-4-6-8-11-16%282%2917-12-10-13-18%2820%2915-17%2Fh10%2C12-13%2C15-16H%2C3-9%2C11%2C14H2%2C1-2H3, 65.2342987060547, 2.0, 11.0, 0.142506256699562, , 6.0, 0.0, 22.0, 6.0, 15.0, 6.0, 0.377499997615814, 12.0, 3.22000002861023, 51.0, 8.46300029754639
-InChI%3D1S%2FC24H29NO4%2Fc1-5-26-21-10-9-17%2814-22%2821%2927-6-2%2913-20-19-16-24%2829-8-4%2923%2828-7-3%2915-18%2819%2911-12-25-20%2Fh9-12%2C14-16H%2C5-8%2C13H2%2C1-4H3, 51.193000793457, 1.0, 2.0, 1.24456334114075, , 12.0, 0.0, 31.0, 17.0, 3.0, 16.0, 1.11559998989105, 10.0, 3.54999995231628, 58.0, 5.05499982833862
-InChI%3D1S%2FC23H31NO2%2Fc1-6-22%2826-19%283%2925%2923%2817-18%282%2924%284%295%2C20-13-9-7-10-14-20%2921-15-11-8-12-16-21%2Fh7-16%2C18%2C22H%2C6%2C17H2%2C1-5H3, 54.9981994628906, 1.0, 7.0, 0.208848997950554, , 6.0, 0.0, 27.0, 12.0, 14.0, 12.0, -0.456999987363815, 9.0, 3.66000008583069, 57.0, 8.5939998626709
-InChI%3D1S%2FC24H28N2O5%2Fc1-2-31-24%2830%2920%2814-12-17-8-4-3-5-9-17%2925-19-15-13-18-10-6-7-11-21%2818%2926%2823%2819%2929%2916-22%2827%2928%2Fh3-11%2C19-20%2C25H%2C2%2C12-16H2%2C1H3%2C%28H%2C27%2C28%29%2Ft19-%2C20-%2Fm0%2Fs1, 61.0046005249023, 1.0, 4.0, 4.00240039825439, , 9.0, 2.0, 33.0, 12.0, 9.0, 12.0, -2.0006000995636, 10.0, 3.32999992370605, 59.0, 6.27600002288818
-InChI%3D1S%2FC12H9N3O%2Fc1-8-11%289-2-4-14-5-3-9%296-10%287-13%2912%2816%2915-8%2Fh2-6H%2C1H3%2C%28H%2C15%2C16%29, 14.4956998825073, 0.0, 0.0, 0.000193209998542443, , 15.0, 1.0, 17.0, 12.0, 2.0, 12.0, 0.0138999996706843, 1.0, 2.33999991416931, 25.0, 1.35000002384186
-InChI%3D1S%2FC19H23NO3%2Fc1-14%2819%2822%2915-7-4-3-5-8-15%2920-12-11-18%2821%2916-9-6-10-17%2813-16%2923-2%2Fh3-10%2C13-14%2C19-20%2C22H%2C11-12H2%2C1-2H3%2Ft14-%2C19-%2Fm0%2Fs1, 40.4822998046875, 0.0, 3.0, 1.43856036663055, , 9.0, 2.0, 24.0, 12.0, 9.0, 12.0, -1.19939994812012, 8.0, 3.10999989509583, 46.0, 3.99399995803833
-InChI%3D1S%2FC18H23NO3%2Fc1-13%2812-22-17-6-4-3-5-7-17%2919-14%282%2918%2821%2915-8-10-16%2820%2911-9-15%2Fh3-11%2C13-14%2C18-21H%2C12H2%2C1-2H3, 36.7515983581543, 0.0, 3.0, 2.34733033180237, , 7.0, 3.0, 23.0, 12.0, 9.0, 12.0, -1.5320999622345, 7.0, 3.0, 45.0, 3.73699998855591
-InChI%3D1S%2FC14H20N2O2%2Fc1-10%282%2916-8-11%2817%299-18-14-5-3-4-13-12%2814%296-7-15-13%2Fh3-7%2C10-11%2C15-17H%2C8-9H2%2C1-2H3, 35.5013008117676, 0.0, 3.0, 1.01969599723816, , 8.0, 3.0, 19.0, 10.0, 9.0, 6.0, -1.00979995727539, 6.0, 2.55999994277954, 37.0, 1.73199999332428
-InChI%3D1S%2FC24H20I6N4O8%2Fc1-31-21%2837%299-13%2825%2911%2823%2839%2940%2917%2829%2919%2815%289%2927%2933-7%2835%295-3-4-6-8%2836%2934-20-16%2828%2910%2822%2838%2932-2%2914%2826%2912%2818%2820%2930%2924%2841%2942%2Fh3-6H2%2C1-2H3%2C%28H%2C31%2C37%29%28H%2C32%2C38%29%28H%2C33%2C35%29%28H%2C34%2C36%29%28H%2C39%2C40%29%28H%2C41%2C42%29, 157.776000976562, 4.0, 6.0, 45.4302978515625, , 15.0, 6.0, 43.0, 12.0, 10.0, 12.0, 6.74020004272461, 11.0, 2.11999988555908, 62.0, 6.92399978637695
-InChI%3D1S%2FC19H19N%2Fc1-20-12-11-16-15-9-5-6-10-17%2815%2919%2818%2816%2913-20%2914-7-3-2-4-8-14%2Fh2-10%2C19H%2C11-13H2%2C1H3, 33.9967994689941, 1.0, 0.0, 0.288261622190475, , 8.0, 0.0, 23.0, 12.0, 0.0, 12.0, 0.536899983882904, 1.0, 3.44000005722046, 39.0, 6.41200017929077
-InChI%3D1S%2FC11H14N4O4%2Fc1-13-9-8%2810%2816%2914%282%2911%2813%2917%2915%286-12-9%295-7-18-3-4-19-7%2Fh6-7H%2C3-5H2%2C1-2H3, 49.7277984619141, 0.0, 0.0, 0.455085158348083, , 6.0, 1.0, 21.0, 5.0, 0.0, 0.0, -0.674600005149841, 2.0, 1.78999996185303, 33.0, -1.04100000858307
-InChI%3D1S%2FC23H20N2O3S%2Fc26-22-21%2816-17-29%2828%2920-14-8-3-9-15-20%2923%2827%2925%2819-12-6-2-7-13-19%2924%2822%2918-10-4-1-5-11-18%2Fh1-15%2C21H%2C16-17H2, 35.2935981750488, 0.0, 2.0, 4.89250183105469, , 18.0, 0.0, 32.0, 18.0, 4.0, 18.0, -2.21189999580383, 6.0, 3.32999992370605, 49.0, 4.96199989318848
-InChI%3D1S%2FC3H6O3%2Fc1-2%284%293%285%296%2Fh2%2C4H%2C1H3%2C%28H%2C5%2C6%29, 19.0053997039795, 0.0, 3.0, 0.649474799633026, , 3.0, 2.0, 5.0, 0.0, 6.0, 0.0, -0.805899977684021, 1.0, 1.46000003814697, 12.0, -0.591000020503998
-InChI%3D1S%2FC19H37N5O7%2Fc1-19%2827%297-28-18%2813%2826%2916%2819%2924-2%2931-15-11%2823%295-10%2822%2914%2812%2815%2925%2930-17-9%2821%294-3-8%286-20%2929-17%2Fh3%2C9-18%2C24-27H%2C4-7%2C20-23H2%2C1-2H3%2Ft9%3F%2C10-%2C11%2B%2C12-%2C13%2B%2C14%3F%2C15%3F%2C16%2B%2C17%3F%2C18%3F%2C19-%2Fm0%2Fs1, 108.063102722168, 2.0, 0.0, 27.9565982818604, , 3.0, 8.0, 33.0, 0.0, 2.0, 0.0, -5.28739976882935, 6.0, 2.23000001907349, 68.0, -3.62800002098083
-InChI%3D1S%2FC21H29FO5%2Fc1-18-7-5-13%2824%299-12%2818%293-4-15-14-6-8-20%2827%2C17%2826%2911-23%2919%2814%2C2%2910-16%2825%2921%2815%2C18%2922%2Fh9%2C14-16%2C23%2C25%2C27H%2C3-8%2C10-11H2%2C1-2H3%2Ft14%3F%2C15-%2C16-%2C18-%2C19-%2C20-%2C21%3F%2Fm0%2Fs1, 95.9692993164062, 0.0, 2.0, 0.796556234359741, , 4.0, 3.0, 30.0, 0.0, 4.0, 0.0, -0.892499983310699, 2.0, 3.10999989509583, 56.0, 0.372999995946884
-InChI%3D1S%2FC11H8O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6H%2C1H3, 25.2175006866455, 0.0, 0.0, 0.0783440098166466, , 12.0, 0.0, 14.0, 6.0, 0.0, 6.0, 0.279900014400482, 0.0, 2.45000004768372, 21.0, 2.14100003242493
-InChI%3D1S%2FC20H10Br4O10S2.2Na%2Fc21-15-13-14%2816%2822%2918%2824%2917%2815%2923%2920%2834-19%2813%2927%2C7-1-3-9%2825%2911%285-7%2935%2828%2C29%2930%298-2-4-10%2826%2912%286-8%2936%2831%2C32%2933%3B%3B%2Fh1-6%2C25-26H%2C%28H%2C28%2C29%2C30%29%28H%2C31%2C32%2C33%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2, , 1.0, 0.0, , , 11.0, 2.0, 39.0, 18.0, 3.0, 18.0, , 4.0, 1.67999994754791, 46.0, 5.23600006103516
-InChI%3D1S%2FC21H28O2%2Fc1-13%2822%2917-6-7-18-16-5-4-14-12-15%2823%298-10-20%2814%2C2%2919%2816%299-11-21%2817%2C18%293%2Fh4-5%2C12%2C16-19H%2C6-11H2%2C1-3H3%2Ft16%3F%2C17-%2C18%2B%2C19-%2C20%3F%2C21-%2Fm1%2Fs1, 93.6792984008789, 0.0, 0.0, 1.79238545894623, , 6.0, 0.0, 26.0, 0.0, 2.0, 0.0, 1.33879995346069, 1.0, 3.54999995231628, 51.0, 4.70800018310547
-InChI%3D1S%2FC20H24N2OS%2Fc1-4-22%285-2%2913-12-21-16-11-10-14%283%2920-18%2816%2919%2823%2915-8-6-7-9-17%2815%2924-20%2Fh6-11%2C21H%2C4-5%2C12-13H2%2C1-3H3, 54.2449989318848, 0.0, 2.0, 1.66461598873138, , 15.0, 1.0, 26.0, 12.0, 8.0, 12.0, 1.29019999504089, 6.0, 3.22000002861023, 48.0, 4.21600008010864
-InChI%3D1S%2FC16H21N3%2Fc1-18%282%2912-13-19%2816-10-6-7-11-17-16%2914-15-8-4-3-5-9-15%2Fh3-11H%2C12-14H2%2C1-2H3, 31.326000213623, 0.0, 2.0, 0.0706496387720108, , 7.0, 0.0, 20.0, 12.0, 7.0, 12.0, 0.265799999237061, 6.0, 2.89000010490417, 40.0, 4.26000022888184
-InChI%3D1S%2FC24H27NO5S%2Fc1-13-14%282%2921-18%2815%283%2920%2813%2926%299-10-24%284%2C30-21%2912-29-17-7-5-16%286-8-17%2911-19-22%2827%2925-23%2828%2931-19%2Fh5-8%2C19%2C26H%2C9-12H2%2C1-4H3%2C%28H%2C25%2C27%2C28%29, 73.5746994018555, 0.0, 0.0, 3.2569420337677, , 8.0, 2.0, 34.0, 12.0, 2.0, 12.0, 1.8047000169754, 5.0, 3.32999992370605, 58.0, 4.17399978637695
-InChI%3D1S%2FC7H16N2O2.ClH%2Fc1-6%2811-7%288%2910%295-9%282%2C3%294%3B%2Fh6H%2C5H2%2C1-4H3%2C%28H-%2C8%2C10%29%3B1H, 38.6487998962402, 0.0, 3.0, 1.77715563774109, , 4.0, 1.0, 10.0, 0.0, 11.0, 0.0, -1.33309996128082, 4.0, 1.67999994754791, 29.0, 1.13100004196167
-InChI%3D1S%2FC16H23NO2%2Fc1-3-19-15%2818%2916%2814-8-5-4-6-9-14%2910-7-12-17%282%2913-11-16%2Fh4-6%2C8-9H%2C3%2C7%2C10-13H2%2C1-2H3, 49.1506004333496, 0.0, 2.0, 0.00366024998947978, , 6.0, 0.0, 20.0, 6.0, 5.0, 6.0, 0.0604999996721745, 4.0, 2.89000010490417, 42.0, 4.18900012969971
-InChI%3D1S%2FC16H11ClN4%2Fc17-12-6-7-14-13%288-12%2916%2811-4-2-1-3-5-11%2918-9-15-20-19-10-21%2814%2915%2Fh1-8%2C10H%2C9H2, 19.6420993804932, 0.0, 0.0, 0.192984491586685, , 19.0, 0.0, 24.0, 17.0, 0.0, 17.0, 0.439300000667572, 1.0, 2.67000007629395, 32.0, 4.91200017929077
-InChI%3D1S%2FC33H30N4O2%2Fc1-4-9-30-35-31-21%282%2918-24%2832-34-27-12-7-8-13-28%2827%2936%2832%293%2919-29%2831%2937%2830%2920-22-14-16-23%2817-15-22%2925-10-5-6-11-26%2825%2933%2838%2939%2Fh5-8%2C10-19H%2C4%2C9%2C20H2%2C1-3H3%2C%28H%2C38%2C39%29, 40.6482009887695, 1.0, 3.0, 0.00031684001442045, , 18.0, 1.0, 44.0, 32.0, 3.0, 30.0, 0.0177999995648861, 7.0, 4.42999982833862, 69.0, 9.76500034332275
-InChI%3D1S%2FC10H15NO%2Fc1-8%2811-2%2910%2812%299-6-4-3-5-7-9%2Fh3-8%2C10-12H%2C1-2H3%2Ft8-%2C10%2B%2Fm0%2Fs1, 24.2558002471924, 0.0, 3.0, 0.685418426990509, , 6.0, 2.0, 12.0, 6.0, 6.0, 6.0, -0.827899992465973, 3.0, 2.33999991416931, 27.0, 2.51999998092651
-InChI%3D1S%2FC22H24ClN3OS2.ClH%2Fc23-16-6-7-20-18%2814-16%2926%2817-4-1-2-5-19%2817%2929-20%2911-3-10-25-12-8-22%289-13-25%2924-21%2827%2915-28-22%3B%2Fh1-2%2C4-7%2C14H%2C3%2C8-13%2C15H2%2C%28H%2C24%2C27%29%3B1H, 69.9212036132812, 1.0, 3.0, 0.758466839790344, , 13.0, 1.0, 33.0, 12.0, 3.0, 12.0, 0.870899975299835, 4.0, 3.0, 55.0, 5.05800008773804
-InChI%3D1S%2FC14H22N2O3%2Fc1-10%282%2916-8-12%2817%299-19-13-5-3-11%284-6-13%297-14%2815%2918%2Fh3-6%2C10%2C12%2C16-17H%2C7-9H2%2C1-2H3%2C%28H2%2C15%2C18%29, 48.5269012451172, 0.0, 3.0, 1.11640357971191, , 7.0, 4.0, 19.0, 6.0, 9.0, 6.0, -1.05659997463226, 8.0, 2.45000004768372, 41.0, 1.81200003623962
-InChI%3D1S%2FC14H23N3O10%2Fc18-10%2819%295-15%281-3-16%286-11%2820%2921%297-12%2822%2923%292-4-17%288-13%2824%2925%299-14%2826%2927%2Fh1-9H2%2C%28H%2C18%2C19%29%28H%2C20%2C21%29%28H%2C22%2C23%29%28H%2C24%2C25%29%28H%2C26%2C27%29, 86.4493026733398, 2.0, 2.0, 4.50288391113281, , 3.0, 5.0, 26.0, 0.0, 27.0, 0.0, -2.12199997901917, 16.0, 1.57000005245209, 50.0, -3.32100009918213
-InChI%3D1S%2FC22H23ClN2O8%2Fc1-21%2832%297-6-8-15%2825%282%293%2917%2828%2913%2820%2824%2931%2919%2830%2922%288%2C33%2918%2829%2911%287%2916%2827%2912-10%2826%295-4-9%2823%2914%2812%2921%2Fh4-5%2C7-8%2C15%2C26%2C28-29%2C32-33H%2C6H2%2C1-3H3%2C%28H2%2C24%2C31%29%2Ft7-%2C8-%2C15%3F%2C21-%2C22%3F%2Fm0%2Fs1, 93.1547012329102, 1.0, 0.0, 4.2786922454834, , 12.0, 7.0, 36.0, 6.0, 3.0, 6.0, -2.06850004196167, 2.0, 2.67000007629395, 56.0, 0.930999994277954
-InChI%3D1S%2FC17H17ClO6%2Fc1-8-5-9%2819%296-12%2823-4%2917%288%2916%2820%2913-10%2821-2%297-11%2822-3%2914%2818%2915%2813%2924-17%2Fh6-8H%2C5H2%2C1-4H3%2Ft8-%2C17%3F%2Fm1%2Fs1, 64.8328018188477, 0.0, 0.0, 0.0871430411934853, , 11.0, 0.0, 26.0, 6.0, 2.0, 6.0, -0.295199990272522, 3.0, 2.55999994277954, 41.0, 0.91100001335144
-InChI%3D1S%2FC18H18N8O7S3%2Fc1-25-18%2822-12%2828%2913%2829%2923-25%2936-4-6-3-34-15-9%2814%2830%2926%2815%2910%286%2916%2831%2932%2921-11%2827%298%2824-33-2%297-5-35-17%2819%2920-7%2Fh5%2C9%2C15H%2C3-4H2%2C1-2H3%2C%28H2%2C19%2C20%29%28H%2C21%2C27%29%28H%2C23%2C29%29%28H%2C31%2C32%29%2Ft9%3F%2C15-%2Fm1%2Fs1, 127.352897644043, 2.0, 2.0, 0.372954487800598, , 8.0, 6.0, 39.0, 0.0, 7.0, 0.0, -0.610700011253357, 9.0, 1.46000003814697, 58.0, -0.0219999998807907
-InChI%3D1S%2FC14H21N3O3%2Fc1-9%282%2915-7-12-4-3-10-5-11%288-18%2914%2817%2819%2920%296-13%2810%2916-12%2Fh5-6%2C9%2C12%2C15-16%2C18H%2C3-4%2C7-8H2%2C1-2H3, 47.8450012207031, 0.0, 0.0, 2.3972327709198, , 10.0, 3.0, 21.0, 6.0, 5.0, 6.0, -1.54830002784729, 5.0, 2.33999991416931, 41.0, 1.75199997425079
-InChI%3D1S%2FC18H22ClNO%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%2Fh2-11%2C16H%2C12-15H2%2C1H3, 38.2780990600586, 1.0, 3.0, 0.423410475254059, , 7.0, 0.0, 22.0, 12.0, 9.0, 12.0, 0.650699973106384, 8.0, 3.10999989509583, 43.0, 6.54899978637695
-InChI%3D1S%2FC22H23ClN2O2%2Fc1-2-27-22%2826%2925-12-9-15%2810-13-25%2920-19-8-7-18%2823%2914-17%2819%296-5-16-4-3-11-24-21%2816%2920%2Fh3-4%2C7-8%2C11%2C14H%2C2%2C5-6%2C9-10%2C12-13H2%2C1H3, 60.3361015319824, 0.0, 2.0, 3.05830144882202, , 14.0, 0.0, 30.0, 12.0, 5.0, 12.0, 1.74880003929138, 3.0, 3.32999992370605, 50.0, 4.26300001144409
-InChI%3D1S%2FC22H24FN3OS%2Fc23-17-9-7-16%288-10-17%2921%2827%296-3-13-25-14-11-18%2812-15-25%2926-20-5-2-1-4-19%2820%2924-22%2826%2928%2Fh1-2%2C4-5%2C7-10%2C18H%2C3%2C6%2C11-15H2%2C%28H%2C24%2C28%29, 51.524600982666, 0.0, 4.0, 0.00837225001305342, , 8.0, 1.0, 31.0, 16.0, 5.0, 12.0, -0.091499999165535, 6.0, 3.22000002861023, 52.0, 4.98600006103516
-InChI%3D1S%2FC10H14O2%2Fc1-10%282%2C3%298-6-7%2811%294-5-9%288%2912%2Fh4-6%2C11-12H%2C1-3H3, 24.2560005187988, 0.0, 0.0, 0.403987348079681, , 8.0, 2.0, 12.0, 6.0, 3.0, 6.0, 0.635599970817566, 1.0, 2.33999991416931, 26.0, 2.66499996185303
-InChI%3D1S%2FC8H15N7O2S3%2Fc9-6%2815-20%2812%2C16%2917%291-2-18-3-5-4-19-8%2813-5%2914-7%2810%2911%2Fh4H%2C1-3H2%2C%28H2%2C9%2C15%29%28H2%2C12%2C16%2C17%29%28H4%2C10%2C11%2C13%2C14%29, 60.6004981994629, 1.0, 3.0, 0.413963556289673, , 9.0, 7.0, 20.0, 5.0, 11.0, 5.0, -0.643400013446808, 9.0, 1.01999998092651, 35.0, 0.150999993085861
-InChI%3D1S%2FC16H24N2O2%2Fc1-3-13-11%282%2917-14-5-4-12%2816%2819%2915%2813%2914%2910-18-6-8-20-9-7-18%2Fh12%2C17H%2C3-10H2%2C1-2H3, 62.032299041748, 0.0, 2.0, 0.587062418460846, , 1.0, 1.0, 22.0, 5.0, 2.0, 0.0, 0.766200006008148, 3.0, 2.77999997138977, 43.0, 1.34700000286102
-InChI%3D1S%2FC4H10N2%2Fc1-2-6-4-3-5-1%2Fh5-6H%2C1-4H2, 25.4487991333008, 0.0, 0.0, 0.631071388721466, , 0.0, 2.0, 6.0, 0.0, 0.0, 0.0, -0.794399976730347, 0.0, 1.67999994754791, 16.0, -0.772000014781952
-InChI%3D1S%2FC23H31NO7%2Fc1-15%285-7-19%2825%2930-13-10-24-8-11-29-12-9-24%294-6-17-21%2826%2920-18%2814-31-23%2820%2927%2916%282%2922%2817%2928-3%2Fh4%2C26H%2C5-14H2%2C1-3H3, 94.2381973266602, 0.0, 6.0, 1.48986434936523, , 11.0, 1.0, 33.0, 6.0, 11.0, 6.0, 1.22060000896454, 10.0, 3.10999989509583, 62.0, 0.940999984741211
-InChI%3D1S%2FC20H25NOS%2Fc1-3-21%284-2%2915-16-23-20%2822%2919%2817-11-7-5-8-12-17%2918-13-9-6-10-14-18%2Fh5-14%2C19H%2C3-4%2C15-16H2%2C1-2H3, 48.6599998474121, 1.0, 2.0, 1.1325216293335, , 6.0, 0.0, 24.0, 12.0, 11.0, 12.0, 1.06420004367828, 9.0, 3.32999992370605, 48.0, 7.69500017166138
-InChI%3D1S%2FC26H28ClNO%2Fc1-3-28%284-2%2919-20-29-24-17-15-22%2816-18-24%2925%2821-11-7-5-8-12-21%2926%2827%2923-13-9-6-10-14-23%2Fh5-18H%2C3-4%2C19-20H2%2C1-2H3, 47.7372016906738, 1.0, 2.0, 1.50945794582367, , 21.0, 0.0, 31.0, 18.0, 8.0, 18.0, 1.228600025177, 9.0, 3.99000000953674, 57.0, 9.8459997177124
-InChI%3D1S%2FC12H16N2O3%2Fc1-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914%282%2910%2812%2916%2Fh6H%2C3-5%2C7H2%2C1-2H3%2C%28H%2C13%2C15%2C17%29, 58.7187004089355, 0.0, 0.0, 0.335240989923477, , 8.0, 1.0, 18.0, 0.0, 0.0, 0.0, -0.578999996185303, 1.0, 2.23000001907349, 33.0, 1.51499998569489
-InChI%3D1S%2FC18H20N2%2Fc1-19-10-11-20-17-9-5-3-7-15%2817%2912-14-6-2-4-8-16%2814%2918%2820%2913-19%2Fh2-9%2C18H%2C10-13H2%2C1H3, 33.6282005310059, 0.0, 0.0, 0.324102491140366, , 7.0, 0.0, 23.0, 12.0, 0.0, 12.0, 0.5692999958992, 0.0, 3.22000002861023, 40.0, 4.71999979019165
-InChI%3D1S%2FC25H43N13O10%2Fc26-3-1-2-10%2827%294-16%2841%2932-12-6-30-23%2847%2918%2811-5-17%2842%2937-24%2828%2936-11%2938-20%2844%2913%287-31-25%2829%2948%2933-21%2845%2914%288-39%2935-22%2846%2915%289-40%2934-19%2812%2943%2Fh7%2C10-12%2C14-15%2C17-18%2C39-40%2C42H%2C1-6%2C8-9%2C26-27H2%2C%28H%2C30%2C47%29%28H%2C32%2C41%29%28H%2C33%2C45%29%28H%2C34%2C43%29%28H%2C35%2C46%29%28H%2C38%2C44%29%28H3%2C28%2C36%2C37%29%28H3%2C29%2C31%2C48%29%2Ft10%3F%2C11-%2C12%3F%2C14%3F%2C15%3F%2C17%2B%2C18%3F%2Fm1%2Fs1, 153.272094726562, 3.0, 6.0, 36.2199363708496, , 12.0, 17.0, 49.0, 0.0, 10.0, 0.0, -6.01830005645752, 11.0, 1.67999994754791, 91.0, -3.62800002098083
-InChI%3D1S%2FC18H13ClN2O%2Fc1-2-10-21-16-9-8-14%2819%2911-15%2816%2918%2820-12-17%2821%2922%2913-6-4-3-5-7-13%2Fh1%2C3-9%2C11H%2C10%2C12H2, 36.698600769043, 0.0, 3.0, 0.33477795124054, , 17.0, 0.0, 24.0, 12.0, 3.0, 12.0, 0.578599989414215, 2.0, 3.0, 35.0, 4.11999988555908
-InChI%3D1S%2FC22H29NO5%2Fc1-7-22%2823%282%293%2C17-11-9-8-10-12-17%2915-28-21%2824%2916-13-18%2825-4%2920%2827-6%2919%2814-16%2926-5%2Fh8-14H%2C7%2C15H2%2C1-6H3, 58.3559989929199, 0.0, 4.0, 0.29019770026207, , 12.0, 0.0, 29.0, 12.0, 10.0, 12.0, -0.538699984550476, 10.0, 3.22000002861023, 57.0, 4.59499979019165
-InChI%3D1S%2FC12H9F3N2O2%2Fc1-7-10%286-16-19-7%2911%2818%2917-9-4-2-8%283-5-9%2912%2813%2C14%2915%2Fh2-6H%2C1H3%2C%28H%2C17%2C18%29, 21.2276992797852, 0.0, 0.0, 0.560551702976227, , 9.0, 2.0, 20.0, 11.0, 3.0, 6.0, 0.748700022697449, 4.0, 2.00999999046326, 28.0, 3.54299998283386
-InChI%3D1S%2FC9H13NO%2Fc1-7%2810%296-8-2-4-9%2811%295-3-8%2Fh2-5%2C7%2C11H%2C6%2C10H2%2C1H3, 20.9486999511719, 0.0, 3.0, 1.31537961959839, , 7.0, 2.0, 11.0, 6.0, 4.0, 6.0, -1.14690005779266, 2.0, 2.23000001907349, 24.0, 1.56400001049042
-InChI%3D1S%2FC21H22N2O5S%2Fc1-4-28-13-10-9-11-7-5-6-8-12%2811%2914%2813%2917%2824%2922-15-18%2825%2923-16%2820%2826%2927%2921%282%2C3%2929-19%2815%2923%2Fh5-10%2C15-16%2C19H%2C4H2%2C1-3H3%2C%28H%2C22%2C24%29%28H%2C26%2C27%29%2Ft15%3F%2C16-%2C19%2B%2Fm0%2Fs1, 66.1314010620117, 0.0, 2.0, 0.060074009001255, , 14.0, 2.0, 32.0, 11.0, 3.0, 10.0, 0.245100006461143, 5.0, 2.89000010490417, 51.0, 3.89299988746643
-InChI%3D1S%2FC10H20N2S4%2Fc1-5-11%286-2%299%2813%2915-16-10%2814%2912%287-3%298-4%2Fh5-8H2%2C1-4H3, 86.4160003662109, 0.0, 2.0, 17.2839756011963, , 3.0, 0.0, 15.0, 0.0, 16.0, 0.0, 4.15740013122559, 9.0, 1.89999997615814, 36.0, 3.24000000953674
-InChI%3D1S%2FC20H25NO3%2Fc1-3-21%284-2%2915-16-24-19%2822%2920%2823%2C17-11-7-5-8-12-17%2918-13-9-6-10-14-18%2Fh5-14%2C23H%2C3-4%2C15-16H2%2C1-2H3, 43.4626998901367, 1.0, 2.0, 0.00893025007098913, , 6.0, 1.0, 25.0, 12.0, 12.0, 12.0, -0.0944999977946281, 9.0, 3.22000002861023, 49.0, 5.50899982452393
-InChI%3D1S%2FC5H8N4O3S2%2Fc1-3%2810%297-4-9%282%298-5%2813-4%2914%286%2C11%2912%2Fh1-2H3%2C%28H2%2C6%2C11%2C12%29, 50.1852989196777, 0.0, 2.0, 0.440364956855774, , 6.0, 2.0, 14.0, 0.0, 4.0, 0.0, -0.663600027561188, 2.0, 1.01999998092651, 24.0, -1.45000004768372
-InChI%3D1S%2FC5H9N3%2Fc6-2-1-5-3-7-4-8-5%2Fh3-4H%2C1-2%2C6H2%2C%28H%2C7%2C8%29, 11.8458995819092, 0.0, 2.0, 1.05329167842865, , 0.0, 3.0, 8.0, 5.0, 3.0, 0.0, -1.02629995346069, 2.0, 1.67999994754791, 16.0, -0.340999990701675
-InChI%3D1S%2FC5H6N2OS%2Fc1-3-2-4%288%297-5%289%296-3%2Fh2H%2C1H3%2C%28H2%2C6%2C7%2C8%2C9%29, 16.9887008666992, 0.0, 0.0, 0.24029603600502, , 7.0, 1.0, 9.0, 6.0, 0.0, 6.0, 0.490200012922287, 0.0, 1.57000005245209, 15.0, 0.925999999046326
-InChI%3D1S%2FC12H14N2O2%2Fc1-3-12%289-7-5-4-6-8-9%2910%2815%2914%282%2911%2816%2913-12%2Fh4-8H%2C3H2%2C1-2H3%2C%28H%2C13%2C16%29, 32.7290000915527, 0.0, 2.0, 0.381059288978577, , 6.0, 1.0, 17.0, 6.0, 2.0, 6.0, -0.617299973964691, 2.0, 2.33999991416931, 30.0, 2.88700008392334
-InChI%3D1S%2FC12H17NO3%2Fc1-4-13%285-2%2912%2815%299-6-7-10%2814%2911%288-9%2916-3%2Fh6-8%2C14H%2C4-5H2%2C1-3H3, 37.3028984069824, 0.0, 2.0, 0.194922253489494, , 11.0, 1.0, 16.0, 6.0, 7.0, 6.0, -0.441500008106232, 5.0, 2.33999991416931, 33.0, 1.40400004386902
-InChI%3D1S%2FC10H13N3%2Fc11-10%2812%2913-6-5-8-3-1-2-4-9%288%297-13%2Fh1-4H%2C5-7H2%2C%28H3%2C11%2C12%29, 25.0758991241455, 0.0, 0.0, 0.0363664887845516, , 6.0, 2.0, 14.0, 6.0, 3.0, 6.0, -0.190699994564056, 1.0, 2.23000001907349, 26.0, 3.24499988555908
-InChI%3D1S%2FC32H38N2O8%2Fc1-37-24-12-17%2813-25%2838-2%2929%2824%2939-3%2931%2835%2942-26-14-18-16-34-11-10-20-19-8-6-7-9-22%2819%2933-28%2820%2923%2834%2915-21%2818%2927%2830%2826%2940-4%2932%2836%2941-5%2Fh6-9%2C12-13%2C18%2C21%2C23%2C26-27%2C30%2C33H%2C10-11%2C14-16H2%2C1-5H3%2Ft18%3F%2C21-%2C23%2B%2C26%3F%2C27%3F%2C30-%2Fm0%2Fs1, 92.6419982910156, 0.0, 0.0, 0.153663992881775, , 12.0, 1.0, 47.0, 16.0, 4.0, 12.0, -0.391999989748001, 9.0, 3.88000011444092, 79.0, 3.54999995231628
-InChI%3D1S%2FC27H22Cl2N4%2Fc1-17%282%2930-24-16-27-25%2815-23%2824%2931-20-11-7-18%2828%298-12-20%2932-22-5-3-4-6-26%2822%2933%2827%2921-13-9-19%2829%2910-14-21%2Fh3-17%2C31H%2C1-2H3, 60.013599395752, 1.0, 0.0, 0.000243360002059489, , 14.0, 2.0, 37.0, 18.0, 4.0, 18.0, -0.015599999576807, 4.0, 3.76999998092651, 61.0, 6.97399997711182
-InChI%3D1S%2FC24H31N3OS%2Fc1-3-7-22%2828%2919-10-11-24-21%2818-19%2927%2820-8-4-5-9-23%2820%2929-24%2913-6-12-26-16-14-25%282%2915-17-26%2Fh4-5%2C8-11%2C18H%2C3%2C6-7%2C12-17H2%2C1-2H3, 72.0745010375977, 0.0, 4.0, 0.00234256009571254, , 15.0, 0.0, 32.0, 12.0, 5.0, 12.0, 0.0483999997377396, 7.0, 3.54999995231628, 60.0, 4.32800006866455
-InChI%3D1S%2FC16H24N2O3%2Fc1-16%282%2C3%2917-9-11%2819%2910-21-14-6-4-5-13-12%2814%297-8-15%2820%2918-13%2Fh4-6%2C11%2C17%2C19H%2C7-10H2%2C1-3H3%2C%28H%2C18%2C20%29, 57.6974983215332, 0.0, 3.0, 0.000163839999004267, , 10.0, 3.0, 22.0, 6.0, 10.0, 6.0, -0.0127999996766448, 6.0, 2.67000007629395, 45.0, 2.09400010108948
-InChI%3D1S%2FC19H29IO2%2Fc1-3-22-19%2821%2911-9-7-5-4-6-8-10-16%282%2917-12-14-18%2820%2915-13-17%2Fh12-16H%2C3-11H2%2C1-2H3, 65.2342987060547, 2.0, 11.0, 0.142506256699562, , 6.0, 0.0, 22.0, 6.0, 15.0, 6.0, 0.377499997615814, 12.0, 3.22000002861023, 51.0, 8.46300029754639
-InChI%3D1S%2FC18H28N2O%2Fc1-4-5-12-20-13-7-6-11-16%2820%2918%2821%2919-17-14%282%299-8-10-15%2817%293%2Fh8-10%2C16H%2C4-7%2C11-13H2%2C1-3H3%2C%28H%2C19%2C21%29, 55.5825004577637, 0.0, 4.0, 0.094249002635479, , 9.0, 1.0, 22.0, 6.0, 4.0, 6.0, -0.307000011205673, 5.0, 3.10999989509583, 49.0, 4.9060001373291
-InChI%3D1S%2FC6H8O6%2Fc7-1-2%288%295-3%289%294%2810%296%2811%2912-5%2Fh2%2C5%2C7-10H%2C1H2%2Ft2-%2C5%2B%2Fm0%2Fs1, 36.4584999084473, 0.0, 2.0, 3.09513640403748, , 7.0, 4.0, 12.0, 0.0, 4.0, 0.0, -1.75929999351501, 2.0, 1.46000003814697, 20.0, -0.178000003099442
-InChI%3D1S%2FC27H33N3O6S%2Fc1-27%282%2923-14-11-20%2836-3%2917-22%2823%2924%2831%2930%2825%2827%2932%2916-15-18-9-12-21%2813-10-18%2937%2834%2C35%2929-26%2833%2928-19-7-5-4-6-8-19%2Fh9-14%2C17%2C19H%2C4-8%2C15-16H2%2C1-3H3%2C%28H2%2C28%2C29%2C33%29, 79.9691009521484, 0.0, 2.0, 2.99601483345032, , 13.0, 2.0, 40.0, 12.0, 7.0, 12.0, -1.73090004920959, 8.0, 3.32999992370605, 70.0, 4.40100002288818
-InChI%3D1S%2FC23H32N2O5%2Fc1-3-30-23%2829%2918%2813-12-16-8-5-4-6-9-16%2924-15%282%2921%2826%2925-19-11-7-10-17%2819%2914-20%2825%2922%2827%2928%2Fh4-6%2C8-9%2C15%2C17-20%2C24H%2C3%2C7%2C10-14H2%2C1-2H3%2C%28H%2C27%2C28%29%2Ft15-%2C17-%2C18-%2C19%3F%2C20-%2Fm0%2Fs1, 78.8145980834961, 1.0, 4.0, 4.41126012802124, , 6.0, 2.0, 32.0, 6.0, 13.0, 6.0, -2.10030007362366, 11.0, 3.22000002861023, 62.0, 4.91599988937378
-InChI%3D1S%2FC21H22N2O2%2Fc24-18-10-16-19-13-9-17-21%286-7-22%2817%2911-12%2813%295-8-25-16%2914-3-1-2-4-15%2814%2923%2818%2920%2819%2921%2Fh1-5%2C13%2C16-17%2C19-20H%2C6-11H2%2Ft13%3F%2C16%3F%2C17-%2C19-%2C20-%2C21%3F%2Fm0%2Fs1, 67.8364028930664, 0.0, 0.0, 0.614812791347504, , 9.0, 0.0, 31.0, 6.0, 0.0, 6.0, -0.784099996089935, 0.0, 3.32999992370605, 47.0, 1.73099994659424
-InChI%3D1S%2FC23H25N5O5%2Fc1-30-18-11-14-15%2812-19%2818%2931-2%2925-23%2826-21%2814%2924%2928-9-7-27%288-10-28%2922%2829%2920-13-32-16-5-3-4-6-17%2816%2933-20%2Fh3-6%2C11-12%2C20H%2C7-10%2C13H2%2C1-2H3%2C%28H2%2C24%2C25%2C26%29, 70.4795989990234, 0.0, 0.0, 1.71898317337036, , 12.0, 3.0, 37.0, 12.0, 2.0, 12.0, -1.31110000610352, 5.0, 2.89000010490417, 60.0, 1.61199998855591
-InChI%3D1S%2FC14H20ClN3O3S%2Fc1-9-4-3-5-10%282%2918%289%2917-14%2819%2911-6-7-12%2815%2913%288-11%2922%2816%2C20%2921%2Fh6-10H%2C3-5H2%2C1-2H3%2C%28H%2C17%2C19%29%28H2%2C16%2C20%2C21%29, 55.4595985412598, 0.0, 0.0, 1.26067984104156, , 14.0, 2.0, 23.0, 6.0, 3.0, 6.0, -1.12279999256134, 3.0, 2.11999988555908, 42.0, 2.68799996376038
-InChI%3D1S%2FC9H13N3O3%2Fc10-7-3-4-12%289%2814%2911-7%298-2-1-6%285-13%2915-8%2Fh3-4%2C6%2C8%2C13H%2C1-2%2C5H2%2C%28H2%2C10%2C11%2C14%29%2Ft6-%2C8%2B%2Fm0%2Fs1, 48.1049995422363, 0.0, 0.0, 1.57728481292725, , 3.0, 4.0, 16.0, 0.0, 1.0, 0.0, -1.25590002536774, 2.0, 1.78999996185303, 32.0, -0.728999972343445
-InChI%3D1S%2FC16H16ClNO2S%2Fc1-20-16%2819%2915%2812-4-2-3-5-13%2812%2917%2918-8-6-14-11%2810-18%297-9-21-14%2Fh2-5%2C7%2C9%2C15H%2C6%2C8%2C10H2%2C1H3%2Ft15-%2Fm0%2Fs1, 43.9542999267578, 0.0, 2.0, 0.878718733787537, , 6.0, 0.0, 23.0, 11.0, 5.0, 11.0, 0.937399983406067, 4.0, 2.67000007629395, 37.0, 3.88599991798401
-InChI%3D1S%2FC29H38FN3O3%2Fc1-20%282%2928-23-12-11-22%2830%2918-21%2823%2913-14-29%2828%2C36-27%2834%2919-35-4%2915-17-33%283%2916-7-10-26-31-24-8-5-6-9-25%2824%2932-26%2Fh5-6%2C8-9%2C11-12%2C18%2C20%2C28H%2C7%2C10%2C13-17%2C19H2%2C1-4H3%2C%28H%2C31%2C32%29%2Ft28-%2C29%3F%2Fm0%2Fs1, 75.4636001586914, 2.0, 3.0, 0.0132710402831435, , 8.0, 2.0, 39.0, 16.0, 7.0, 12.0, -0.115199998021126, 12.0, 3.88000011444092, 73.0, 6.5460000038147
-InChI%3D1S%2FC18H33ClN2O5S%2Fc1-5-6-10-7-11%2821%283%298-10%2917%2825%2920-12%289%282%2919%2916-14%2823%2913%2822%2915%2824%2918%2826-16%2927-4%2Fh9-16%2C18%2C22-24H%2C5-8H2%2C1-4H3%2C%28H%2C20%2C25%29%2Ft9-%2C10%2B%2C11-%2C12%2B%2C13-%2C14%2B%2C15%3F%2C16%3F%2C18%2B%2Fm0%2Fs1, 103.411697387695, 0.0, 3.0, 0.222783997654915, , 3.0, 4.0, 28.0, 0.0, 7.0, 0.0, -0.472000002861023, 7.0, 2.45000004768372, 60.0, 2.05599999427795
-InChI%3D1S%2FC10H16N2O4S3%2Fc1-3-12-8-4-6%282%2918%2813%2C14%2910-7%288%295-9%2817-10%2919%2811%2C15%2916%2Fh5-6%2C8%2C12H%2C3-4H2%2C1-2H3%2C%28H2%2C11%2C15%2C16%29%2Ft6-%2C8-%2Fm0%2Fs1, 56.4733009338379, 0.0, 2.0, 1.38368165493011, , 12.0, 2.0, 20.0, 5.0, 3.0, 5.0, -1.17630004882812, 3.0, 1.57000005245209, 35.0, -0.508000016212463
-InChI%3D1S%2F2C26H28N3.C23H16O6%2Fc2%2A1-19-17-21%2820%282%2929%2819%2924-9-7-6-8-10-24%2911-13-23-14-12-22-18-25%2827%283%294%2915-16-26%2822%2928%2823%295%3B24-20-16%2814-7-3-1-5-12%2814%299-18%2820%2922%2826%2927%2911-17-15-8-4-2-6-13%2815%2910-19%2821%2817%2925%2923%2828%2929%2Fh2%2A6-18H%2C1-5H3%3B1-10%2C24-25H%2C11H2%2C%28H%2C26%2C27%29%28H%2C28%2C29%29%2Fq2%2A%2B1%3B%2Fp-2, 108.378997802734, 2.0, 2.0, 1.29777669906616, , 14.0, 4.0, 96.0, 66.0, 3.0, 44.0, -1.13919997215271, 12.0, 8.39000034332275, 159.0, 21.6380004882812
-InChI%3D1S%2FC43H66O14%2Fc1-21-38%2848%2933%2854-24%284%2944%2919-37%2851-21%2957-40-23%283%2953-36%2818-32%2840%2946%2956-39-22%282%2952-35%2817-31%2839%2945%2955-27-9-12-41%285%2926%2816-27%297-8-30-29%2841%2910-13-42%286%2928%2811-14-43%2830%2C42%2949%2925-15-34%2847%2950-20-25%2Fh15%2C21-23%2C26-33%2C35-40%2C45-46%2C48-49H%2C7-14%2C16-20H2%2C1-6H3%2Ft21-%2C22-%2C23-%2C26-%2C27%2B%2C28-%2C29%2B%2C30%3F%2C31%2B%2C32%2B%2C33%3F%2C35%2B%2C36%2B%2C37%2B%2C38-%2C39%3F%2C40%3F%2C41%3F%2C42-%2C43%2B%2Fm1%2Fs1, 192.518402099609, 1.0, 2.0, 7.43107604980469, , 5.0, 4.0, 64.0, 0.0, 4.0, 0.0, -2.7260000705719, 9.0, 4.65000009536743, 123.0, 3.7260000705719
-InChI%3D1S%2FC21H25ClN2O3%2Fc22-19-8-6-18%287-9-19%2921%2817-4-2-1-3-5-17%2924-12-10-23%2811-13-24%2914-15-27-16-20%2825%2926%2Fh1-9%2C21H%2C10-16H2%2C%28H%2C25%2C26%29, 56.4831008911133, 0.0, 2.0, 0.0377136394381523, , 6.0, 1.0, 29.0, 12.0, 7.0, 12.0, 0.194199994206429, 8.0, 3.10999989509583, 52.0, 4.21400022506714
-InChI%3D1S%2FC19H18N6O6S2.Na%2Fc1-24-19%2821-22-23-24%2933-8-11-7-32-17-12%2816%2828%2925%2817%2913%2811%2918%2829%2930%2920-15%2827%2914%2831-9-26%2910-5-3-2-4-6-10%3B%2Fh2-6%2C9%2C12%2C14%2C17H%2C7-8H2%2C1H3%2C%28H%2C20%2C27%29%28H%2C29%2C30%29%3B%2Fq%3B%2B1%2Fp-1%2Ft12%3F%2C14-%2C17-%3B%2Fm1.%2Fs1, , 1.0, 2.0, , , 8.0, 1.0, 36.0, 11.0, 7.0, 11.0, , 9.0, 1.89999997615814, 51.0, 1.44599997997284
-InChI%3D1S%2FC17H15N5O%2Fc1-3-21%2812%282%2923%2915-6-4-5-13%289-15%2916-7-8-19-17-14%2810-18%2911-20-22%2816%2917%2Fh4-9%2C11H%2C3H2%2C1-2H3, 31.9529991149902, 0.0, 2.0, 0.0503104887902737, , 20.0, 1.0, 25.0, 16.0, 6.0, 15.0, -0.224299997091293, 4.0, 2.67000007629395, 38.0, 2.20900011062622
-InChI%3D1S%2FC12H13NO2%2Fc1-12%289-6-4-3-5-7-9%298-10%2814%2913%282%2911%2812%2915%2Fh3-7H%2C8H2%2C1-2H3, 30.7514991760254, 0.0, 0.0, 0.121800996363163, , 6.0, 0.0, 16.0, 6.0, 0.0, 6.0, -0.349000006914139, 1.0, 2.45000004768372, 28.0, 2.57299995422363
-InChI%3D1S%2FC14H16N2O4%2Fc1-4-20-14%2819%2911-7%282%295-9-10%286-17%2915-16-13%2818%2912%289%298%2811%293%2Fh5%2C17H%2C4%2C6H2%2C1-3H3%2C%28H%2C16%2C18%29, 37.127799987793, 0.0, 2.0, 0.405259549617767, , 14.0, 2.0, 21.0, 11.0, 5.0, 10.0, 0.636600017547607, 4.0, 2.33999991416931, 36.0, 1.49500000476837
-InChI%3D1S%2FC25H22O10%2Fc1-32-17-6-11%282-4-14%2817%2928%2924-20%2810-26%2933-16-5-3-12%287-18%2816%2934-24%2925-23%2831%2922%2830%2921-15%2829%298-13%2827%299-19%2821%2935-25%2Fh2-9%2C20%2C23-29%2C31H%2C10H2%2C1H3%2Ft20%3F%2C23-%2C24-%2C25%3F%2Fm0%2Fs1, 48.57080078125, 0.0, 0.0, 11.3980512619019, , 11.0, 5.0, 39.0, 18.0, 2.0, 18.0, -3.37610006332397, 4.0, 3.10999989509583, 57.0, 0.660000026226044
-InChI%3D1S%2FC20H22ClN%2Fc21-20-10-8-17%289-11-20%2916-19%2818-6-2-1-3-7-18%2912-15-22-13-4-5-14-22%2Fh1-3%2C6-12H%2C4-5%2C13-16H2, 42.1729011535645, 1.0, 4.0, 0.892458081245422, , 8.0, 0.0, 24.0, 12.0, 4.0, 12.0, 0.944700002670288, 5.0, 3.44000005722046, 44.0, 7.34999990463257
-InChI%3D1S%2FC18H27NO2%2Fc1-4-14%282%2917%2815-8-6-5-7-9-15%2918%2820%2921-16-10-12-19%283%2913-11-16%2Fh5-9%2C14%2C16-17H%2C4%2C10-13H2%2C1-3H3, 54.4990997314453, 1.0, 5.0, 0.683598220348358, , 6.0, 0.0, 22.0, 6.0, 8.0, 6.0, -0.826799988746643, 6.0, 3.10999989509583, 48.0, 5.73600006103516
-InChI%3D1S%2FC17H21N4O9P%2Fc1-7-3-9-10%284-8%287%292%2921%2815-13%2818-9%2916%2825%2920-17%2826%2919-15%295-11%2822%2914%2824%2912%2823%296-30-31%2827%2C28%2929%2Fh3-4%2C11-12%2C14%2C22-24H%2C5-6H2%2C1-2H3%2C%28H%2C20%2C25%2C26%29%28H2%2C27%2C28%2C29%29%2Ft11-%2C12%2B%2C14-%2Fm0%2Fs1, 79.6380996704102, 2.0, 5.0, 3.6183648109436, , 8.0, 9.0, 33.0, 6.0, 13.0, 6.0, -1.9021999835968, 7.0, 1.78999996185303, 58.0, -2.7279999256134
-InChI%3D1S%2FC21H25N5O8S2%2Fc1-21%282%2914%2818%2829%2930%2926-16%2828%2913%2817%2826%2935-21%2922-15%2827%2912%2811-7-5-4-6-8-11%2923-19%2831%2924-9-10-25%2820%2824%2932%2936%283%2C33%2934%2Fh4-8%2C12-14%2C17H%2C9-10H2%2C1-3H3%2C%28H%2C22%2C27%29%28H%2C23%2C31%29%28H%2C29%2C30%29%2Ft12-%2C13%3F%2C14%2B%2C17-%2Fm1%2Fs1, 100.027397155762, 1.0, 2.0, 0.361441433429718, , 10.0, 3.0, 39.0, 6.0, 7.0, 6.0, -0.601199984550476, 7.0, 2.11999988555908, 61.0, 1.32400000095367
-InChI%3D1S%2FC23H32N2O%2Fc1-18%282%2925%285%2C19%283%294%2917-16-23%2822%2824%2926%2C20-12-8-6-9-13-20%2921-14-10-7-11-15-21%2Fh6-15%2C18-19H%2C16-17H2%2C1-5H3%2C%28H-%2C24%2C26%29%2Fp%2B1, 56.348201751709, 1.0, 4.0, 2.02037787437439, , 6.0, 2.0, 27.0, 12.0, 14.0, 12.0, -1.42139995098114, 8.0, 3.66000008583069, 59.0, 8.25
-InChI%3D1S%2FC29H44O3%2Fc1-3-4-5-6-7-8-9-10-11-28%2831%2932-27-17-16-26-25-14-12-21-20-22%2830%2913-15-23%2821%2924%2825%2918-19-29%2826%2C27%292%2Fh13%2C15%2C20%2C24-27%2C30H%2C3-12%2C14%2C16-19H2%2C1-2H3%2Ft24-%2C25%3F%2C26%2B%2C27%2B%2C29%2B%2Fm1%2Fs1, 90.0639038085938, 2.0, 11.0, 5.37590599060059, , 7.0, 1.0, 35.0, 6.0, 13.0, 6.0, -2.31859993934631, 11.0, 4.32000017166138, 76.0, 10.1909999847412
-InChI%3D1S%2FC19H21N%2Fc1-20-14-6-11-19-17-9-4-2-7-15%2817%2912-13-16-8-3-5-10-18%2816%2919%2Fh2-5%2C7-10%2C12-13%2C19-20H%2C6%2C11%2C14H2%2C1H3, 35.1706008911133, 1.0, 3.0, 3.99999998990097e-06, , 14.0, 1.0, 22.0, 12.0, 5.0, 12.0, -0.0020000000949949, 4.0, 3.44000005722046, 41.0, 8.58699989318848
-InChI%3D1S%2FC22H28NO3.BrH%2Fc1-3-23%282%2916-10-15-20%2817-23%2926-21%2824%2922%2825%2C18-11-6-4-7-12-18%2919-13-8-5-9-14-19%3B%2Fh4-9%2C11-14%2C20%2C25H%2C3%2C10%2C15-17H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1, , 1.0, 2.0, , , 6.0, 1.0, 28.0, 12.0, 5.0, 12.0, , 6.0, 3.32999992370605, 55.0, 6.28800010681152
-InChI%3D1S%2FC10H12N4OS%2Fc1-7%2815%2913-9-4-2-8%283-5-9%296-12-14-10%2811%2916%2Fh2-6H%2C1H3%2C%28H%2C13%2C15%29%28H3%2C11%2C14%2C16%29, 38.8431015014648, 0.0, 0.0, 0.199719607830048, , 14.0, 3.0, 16.0, 6.0, 6.0, 6.0, 0.446900010108948, 4.0, 1.89999997615814, 28.0, 3.76500010490417
-InChI%3D1S%2FC22H29N3S2%2Fc1-3-26-18-9-10-22-20%2817-18%2925%2819-7-4-5-8-21%2819%2927-22%2912-6-11-24-15-13-23%282%2914-16-24%2Fh4-5%2C7-10%2C17H%2C3%2C6%2C11-16H2%2C1-2H3, 71.1529998779297, 0.0, 3.0, 2.12401485443115, , 13.0, 0.0, 30.0, 12.0, 3.0, 12.0, 1.45739996433258, 6.0, 3.32999992370605, 56.0, 4.72900009155273
-InChI%3D1S%2FC18H19N3O5S%2Fc1-2-3-10-8-27-17-13%2816%2824%2921%2817%2914%2810%2918%2825%2926%2920-15%2823%2912%2819%299-4-6-11%2822%297-5-9%2Fh2-7%2C12-13%2C17%2C22H%2C8%2C19H2%2C1H3%2C%28H%2C20%2C23%29%28H%2C25%2C26%29%2Fb3-2%2B%2Ft12-%2C13-%2C17-%2Fm1%2Fs1, 76.7300033569336, 0.0, 3.0, 1.02718222141266, , 10.0, 4.0, 29.0, 6.0, 5.0, 6.0, -1.01349997520447, 5.0, 2.45000004768372, 46.0, -1.57700002193451
-InChI%3D1S%2FC25H28O3%2Fc1-25-14-13-20-19-10-8-18%2828-24%2827%2916-5-3-2-4-6-16%2915-17%2819%297-9-21%2820%2922%2825%2911-12-23%2825%2926%2Fh2-6%2C8%2C10%2C15%2C20-23%2C26H%2C7%2C9%2C11-14H2%2C1H3%2Ft20-%2C21%3F%2C22%2B%2C23%2B%2C25%3F%2Fm1%2Fs1, 56.3232002258301, 1.0, 0.0, 0.0101404897868633, , 15.0, 1.0, 32.0, 12.0, 3.0, 12.0, -0.100699998438358, 3.0, 3.88000011444092, 56.0, 8.13199996948242
-InChI%3D1S%2FC16H19ClO2%2Fc17-15-9-13-11%286-7-12%2813%2916%2818%2919%298-14%2815%2910-4-2-1-3-5-10%2Fh8-10%2C12H%2C1-7H2%2C%28H%2C18%2C19%29, 46.214900970459, 1.0, 0.0, 0.000357209995854646, , 6.0, 1.0, 21.0, 6.0, 2.0, 6.0, 0.0188999995589256, 2.0, 2.89000010490417, 38.0, 5.16400003433228
-InChI%3D1S%2FC22H23ClN6O%2Fc1-2-3-8-20-24-21%2823%2919%2814-30%2929%2820%2913-15-9-11-16%2812-10-15%2917-6-4-5-7-18%2817%2922-25-27-28-26-22%2Fh4-7%2C9-12%2C30H%2C2-3%2C8%2C13-14H2%2C1H3%2C%28H%2C25%2C26%2C27%2C28%29, 35.6226997375488, 1.0, 4.0, 0.494068413972855, , 12.0, 6.0, 33.0, 22.0, 4.0, 17.0, -0.702899992465973, 8.0, 3.0, 52.0, 7.09800004959106
-InChI%3D1S%2FC21H21ClN2O8%2Fc1-24%282%2914-7-5-6-10%2816%2827%2912-9%2825%294-3-8%2822%2911%2812%2915%286%2926%2918%2829%2921%287%2C32%2919%2830%2913%2817%2814%2928%2920%2823%2931%2Fh3-4%2C6-7%2C14-15%2C25-26%2C28-29%2C32H%2C5H2%2C1-2H3%2C%28H2%2C23%2C31%29%2Ft6-%2C7-%2C14%3F%2C15-%2C21%3F%2Fm0%2Fs1, 87.7470016479492, 1.0, 0.0, 6.47855186462402, , 12.0, 7.0, 35.0, 6.0, 3.0, 6.0, -2.54530000686646, 2.0, 2.55999994277954, 53.0, 0.513999998569489
-InChI%3D1S%2FC19H28O2%2Fc1-18-9-7-15-14-6-4-13%2820%2911-12%2814%293-5-16%2815%2917%2818%298-10-19%2818%2C2%2921%2Fh11%2C14-17%2C21H%2C3-10H2%2C1-2H3%2Ft14%3F%2C15-%2C16%3F%2C17%2B%2C18%2B%2C19%2B%2Fm1%2Fs1, 82.3824996948242, 0.0, 0.0, 0.390625, , 4.0, 1.0, 24.0, 0.0, 0.0, 0.0, 0.625, 0.0, 3.32999992370605, 49.0, 3.64000010490417
-InChI%3D1S%2FC18H29NO2%2Fc1-18%282%2C3%2919-12-15%2820%2913-21-17-11-7-6-10-16%2817%2914-8-4-5-9-14%2Fh6-7%2C10-11%2C14-15%2C19-20H%2C4-5%2C8-9%2C12-13H2%2C1-3H3, 57.3361015319824, 0.0, 3.0, 0.159440487623215, , 7.0, 2.0, 22.0, 6.0, 10.0, 6.0, -0.399300009012222, 7.0, 3.10999989509583, 50.0, 4.79199981689453
-InChI%3D1S%2FC15H11N3O3%2Fc19-14-9-16-15%2810-4-2-1-3-5-10%2912-8-11%2818%2820%2921%296-7-13%2812%2917-14%2Fh1-8H%2C9H2%2C%28H%2C17%2C19%29, 22.5272998809814, 0.0, 0.0, 0.189747363328934, , 20.0, 1.0, 23.0, 12.0, 2.0, 12.0, -0.435600012540817, 2.0, 2.45000004768372, 32.0, 4.08799982070923
-InChI%3D1S%2FC17H19N3%2Fc1-3-7-15%288-4-1%2913-20%2814-17-18-11-12-19-17%2916-9-5-2-6-10-16%2Fh1-10H%2C11-14H2%2C%28H%2C18%2C19%29, 30.1084003448486, 0.0, 0.0, 0.730341136455536, , 7.0, 1.0, 22.0, 12.0, 3.0, 12.0, -0.854600012302399, 5.0, 3.0, 39.0, 4.94600009918213
-InChI%3D1S%2FC18H18ClN3O%2Fc1-21-8-10-22%2811-9-21%2918-14-12-13%2819%296-7-16%2814%2923-17-5-3-2-4-15%2817%2920-18%2Fh2-7%2C12H%2C8-11H2%2C1H3, 43.3768005371094, 0.0, 0.0, 0.0759002491831779, , 16.0, 0.0, 26.0, 12.0, 0.0, 12.0, 0.275499999523163, 1.0, 2.89000010490417, 41.0, 4.30800008773804
-InChI%3D1S%2FC16H16ClN3O4.H2O%2Fc17-9-6-7-10-12%2815%2822%2920%2810%2913%289%2916%2823%2924%2919-14%2821%2911%2818%298-4-2-1-3-5-8%3B%2Fh1-5%2C10-12H%2C6-7%2C18H2%2C%28H%2C19%2C21%29%28H%2C23%2C24%29%3B1H2%2Ft10-%2C11-%2C12%3F%3B%2Fm1.%2Fs1, 59.1287002563477, , 2.0, 2.93573951721191, , 8.0, 4.0, 26.0, 6.0, 5.0, 6.0, -1.71340000629425, 4.0, 2.23000001907349, 43.0, 
-InChI%3D1S%2FC13H8F2O3%2Fc14-8-2-3-9%2811%2815%296-8%297-1-4-12%2816%2910%285-7%2913%2817%2918%2Fh1-6%2C16H%2C%28H%2C17%2C18%29, 11.5289001464844, 0.0, 0.0, 0.067236490547657, , 16.0, 2.0, 19.0, 12.0, 2.0, 12.0, 0.259299993515015, 2.0, 2.33999991416931, 26.0, 3.38100004196167
-InChI%3D1S%2FC22H25N2OS.C10H16O4S%2Fc25-22-23%2814-17-8-3-1-4-9-17%2919-16-26-13-7-12-20%2826%2921%2819%2924%2822%2915-18-10-5-2-6-11-18%3B1-9%282%297-3-4-10%289%2C8%2811%295-7%296-15%2812%2C13%2914%2Fh1-6%2C8-11%2C19-21H%2C7%2C12-16H2%3B7H%2C3-6H2%2C1-2H3%2C%28H%2C12%2C13%2C14%29%2Fq%2B1%3B%2Fp-1, 96.4225006103516, 1.0, 0.0, 4.79128313064575, , 6.0, 0.0, 46.0, 12.0, 5.0, 12.0, -2.18889999389648, 6.0, 3.99000000953674, 81.0, 7.25500011444092
-InChI%3D1S%2FC10H11I2NO3%2Fc1-2-3-16-9%2814%296-13-4-7%2811%2910%2815%298%2812%295-13%2Fh4-5H%2C2-3%2C6H2%2C1H3, 76.5826034545898, 0.0, 3.0, 3.17053627967834, , 3.0, 0.0, 16.0, 0.0, 7.0, 0.0, 1.78059995174408, 5.0, 1.89999997615814, 31.0, 1.60199999809265
-InChI%3D1S%2FC20H14O4%2Fc21-15-9-5-13%286-10-15%2920%2814-7-11-16%2822%2912-8-14%2918-4-2-1-3-17%2818%2919%2823%2924-20%2Fh1-12%2C21-22H, 13.7238998413086, 0.0, 0.0, 1.68117153644562, , 9.0, 2.0, 27.0, 18.0, 0.0, 18.0, -1.29659998416901, 2.0, 3.22000002861023, 38.0, 4.90999984741211
-InChI%3D1S%2FC13H16N2O2%2Fc1-2-13%288-7-11%2816%2915-12%2813%2917%299-3-5-10%2814%296-4-9%2Fh3-6H%2C2%2C7-8%2C14H2%2C1H3%2C%28H%2C15%2C16%2C17%29, 39.8255996704102, 0.0, 2.0, 2.45517563819885, , 7.0, 2.0, 18.0, 6.0, 2.0, 6.0, -1.56690001487732, 2.0, 2.45000004768372, 33.0, 1.93099999427795
-InChI%3D1S%2FC9H5I2NO%2Fc10-6-4-7%2811%299%2813%298-5%286%292-1-3-12-8%2Fh1-4%2C13H, 30.4570007324219, 0.0, 0.0, 5.66392421722412, , 11.0, 1.0, 14.0, 11.0, 0.0, 10.0, 2.3798999786377, 0.0, 2.00999999046326, 18.0, 3.12199997901917
-InChI%3D1S%2FC20H26N2%2Fc1-20%282%2916-10-5-7-12-18%2816%2922%2815-9-14-21%283%294%2919-13-8-6-11-17%2819%2920%2Fh5-8%2C10-13H%2C9%2C14-15H2%2C1-4H3, 43.1501007080078, 1.0, 3.0, 0.775104165077209, , 13.0, 0.0, 24.0, 12.0, 6.0, 12.0, 0.880400002002716, 4.0, 3.44000005722046, 48.0, 6.0
-InChI%3D1S%2FC18H18N6O5S2%2Fc1-23-18%2820-21-22-23%2931-8-10-7-30-16-11%2815%2827%2924%2816%2912%2810%2917%2828%2929%2919-14%2826%2913%2825%299-5-3-2-4-6-9%2Fh2-6%2C11%2C13%2C16%2C25H%2C7-8H2%2C1H3%2C%28H%2C19%2C26%29%28H%2C28%2C29%29%2Ft11%3F%2C13-%2C16-%2Fm1%2Fs1, 77.5571975708008, 1.0, 2.0, 0.205390244722366, , 8.0, 3.0, 34.0, 11.0, 5.0, 11.0, -0.45320001244545, 7.0, 2.00999999046326, 49.0, 0.941999971866608
-InChI%3D1S%2FC10H13NO4%2Fc1-10%2811%2C9%2814%2915%295-6-2-3-7%2812%298%2813%294-6%2Fh2-4%2C12-13H%2C5%2C11H2%2C1H3%2C%28H%2C14%2C15%29%2Ft10-%2Fm0%2Fs1, 29.3607006072998, 0.0, 3.0, 2.05779027938843, , 8.0, 4.0, 15.0, 6.0, 7.0, 6.0, -1.43449997901917, 3.0, 2.00999999046326, 28.0, -2.00099992752075
-InChI%3D1S%2FC19H21NO%2Fc1-20%282%2913-7-11-17-16-9-4-3-8-15%2816%2914-21-19-12-6-5-10-18%2817%2919%2Fh3-6%2C8-12H%2C7%2C13-14H2%2C1-2H3, 37.3450012207031, 1.0, 3.0, 0.00505521008744836, , 15.0, 0.0, 23.0, 12.0, 6.0, 12.0, 0.0710999965667725, 3.0, 3.32999992370605, 42.0, 5.10500001907349
-InChI%3D1S%2FC17H19N3O%2Fc1-13-5-7-14%288-6-13%2920%2812-17-18-9-10-19-17%2915-3-2-4-16%2821%2911-15%2Fh2-8%2C11%2C21H%2C9-10%2C12H2%2C1H3%2C%28H%2C18%2C19%29, 33.4628982543945, 0.0, 0.0, 0.468540251255035, , 14.0, 2.0, 23.0, 12.0, 2.0, 12.0, -0.684499979019165, 4.0, 2.89000010490417, 40.0, 3.73000001907349
-InChI%3D1S%2FC24H31FO6%2Fc1-13-9-18-17-6-5-15-10-16%2827%297-8-21%2815%2C3%2923%2817%2C25%2919%2828%2911-22%2818%2C4%2924%2813%2C30%2920%2829%2912-31-14%282%2926%2Fh7-8%2C10%2C13%2C17-19%2C28%2C30H%2C5-6%2C9%2C11-12H2%2C1-4H3%2Ft13-%2C17-%2C18%3F%2C19-%2C21-%2C22-%2C23%3F%2C24-%2Fm0%2Fs1, 110.446800231934, 0.0, 2.0, 0.319112002849579, , 6.0, 2.0, 34.0, 0.0, 7.0, 0.0, -0.564899981021881, 4.0, 3.32999992370605, 62.0, 1.44900000095367
-InChI%3D1S%2FC3H9O6P%2Fc4-1-3%285%292-9-10%286%2C7%298%2Fh3-5H%2C1-2H2%2C%28H2%2C6%2C7%2C8%29, 30.8153991699219, 0.0, 3.0, 1.80606722831726, , 5.0, 4.0, 9.0, 0.0, 10.0, 0.0, -1.34389996528625, 4.0, 1.01999998092651, 19.0, -3.10899996757507
-InChI%3D1S%2FC25H30NO3.ClH%2Fc27-24%2825%2828%2C19-9-3-1-4-10-19%2920-11-5-2-6-12-20%2929-23-17-21-13-14-22%2818-23%2926%2821%2915-7-8-16-26%3B%2Fh1-6%2C9-12%2C21-23%2C28H%2C7-8%2C13-18H2%3B1H%2Fq%2B1%3B%2Fp-1%2Ft21-%2C22%2B%2C23%2B%3B, , 1.0, 2.0, , , 6.0, 1.0, 33.0, 12.0, 5.0, 12.0, , 5.0, 3.66000008583069, 60.0, 6.61299991607666
-InChI%3D1S%2FC17H22I3N3O8%2Fc1-6%2828%2915%2829%2923-14-12%2819%299%2816%2830%2921-7%282-24%293-25%2911%2818%2910%2813%2814%2920%2917%2831%2922-8%284-26%295-27%2Fh6-8%2C24-28H%2C2-5H2%2C1H3%2C%28H%2C21%2C30%29%28H%2C22%2C31%29%28H%2C23%2C29%29, 114.77010345459, 2.0, 3.0, 1.76783621311188, , 15.0, 8.0, 31.0, 6.0, 8.0, 6.0, 1.32959997653961, 10.0, 1.78999996185303, 53.0, 0.280000001192093
-InChI%3D1S%2FC7H4ClNO2%2Fc8-4-1-2-6-5%283-4%299-7%2810%2911-6%2Fh1-3H%2C%28H%2C9%2C10%29, 9.79930019378662, 0.0, 0.0, 0.0168740097433329, , 8.0, 2.0, 12.0, 10.0, 0.0, 6.0, 0.129899993538857, 0.0, 1.78999996185303, 15.0, 1.51699995994568
-InChI%3D1S%2FC15H15NO2%2Fc1-10-6-5-9-13%2811%2810%292%2916-14-8-4-3-7-12%2814%2915%2817%2918%2Fh3-9%2C16H%2C1-2H3%2C%28H%2C17%2C18%29, 21.5235004425049, 1.0, 0.0, 0.38912644982338, , 16.0, 2.0, 19.0, 12.0, 3.0, 12.0, 0.623799979686737, 3.0, 2.77999997138977, 33.0, 5.01100015640259
-InChI%3D1S%2FC10H15NO.ClH%2Fc1-4-11%282%2C3%299-6-5-7-10%2812%298-9%3B%2Fh5-8H%2C4H2%2C1-3H3%3B1H, 21.3838996887207, 0.0, 2.0, 2.82475256919861, , 8.0, 0.0, 12.0, 6.0, 5.0, 6.0, -1.68069994449615, 2.0, 2.23000001907349, 29.0, 2.17600011825562
-InChI%3D1S%2FC4H13NO7P2%2Fc5-3-1-2-4%286%2C13%287%2C8%299%2914%2810%2C11%2912%2Fh6H%2C1-3%2C5H2%2C%28H2%2C7%2C8%2C9%29%28H2%2C10%2C11%2C12%29, 42.8429985046387, 1.0, 4.0, 6.03783178329468, , 4.0, 6.0, 13.0, 0.0, 14.0, 0.0, -2.457200050354, 5.0, 0.800000011920929, 27.0, -4.2979998588562
-InChI%3D1S%2FC21H21ClN4OS%2Fc22-17-13-18-15%2812-20%2827%2923-18%2911-14%2817%295-6-25-7-9-26%2810-8-25%2921-16-3-1-2-4-19%2816%2928-24-21%2Fh1-4%2C11%2C13H%2C5-10%2C12H2%2C%28H%2C23%2C27%29, 60.2434997558594, 0.0, 2.0, 2.65070962905884, , 10.0, 2.0, 32.0, 16.0, 2.0, 15.0, 1.62810003757477, 4.0, 3.0, 49.0, 4.04400014877319
-InChI%3D1S%2FC16H20N2%2Fc1-18%282%2913-11-15%2814-8-4-3-5-9-14%2916-10-6-7-12-17-16%2Fh3-10%2C12%2C15H%2C11%2C13H2%2C1-2H3, 25.4881000518799, 1.0, 3.0, 0.0086304098367691, , 6.0, 0.0, 19.0, 12.0, 6.0, 12.0, -0.0929000005125999, 5.0, 3.0, 38.0, 5.24700021743774
-InChI%3D1S%2FC19H35N%2Fc1-3-9-16%2810-4-1%2919%2817-11-5-2-6-12-17%2915-18-13-7-8-14-20-18%2Fh16-20H%2C1-15H2, 68.2818984985352, 1.0, 2.0, 7.24417209625244, , 0.0, 1.0, 22.0, 0.0, 2.0, 0.0, -2.69149994850159, 4.0, 3.44000005722046, 55.0, 7.47100019454956
-InChI%3D1S%2FC20H22N4O10S%2Fc1-9%2825%2933-10%282%2934-19%2828%2915-11%287-32-20%2821%2929%298-35-18-14%2817%2827%2924%2815%2918%2922-16%2826%2913%2823-30-3%2912-5-4-6-31-12%2Fh4-6%2C10%2C14%2C18H%2C7-8H2%2C1-3H3%2C%28H2%2C21%2C29%29%28H%2C22%2C26%29%2Fb23-13-%2Ft10%3F%2C14%3F%2C18-%2Fm1%2Fs1, 99.8916015625, 2.0, 2.0, 0.0245235599577427, , 11.0, 3.0, 37.0, 5.0, 9.0, 5.0, 0.156599998474121, 12.0, 2.00999999046326, 57.0, 1.37699997425079
-InChI%3D1S%2FC2H6O3S2%2Fc3-7%284%2C5%292-1-6%2Fh6H%2C1-2H2%2C%28H%2C3%2C4%2C5%29, 29.035400390625, 0.0, 2.0, 5.32900012331083e-05, , 4.0, 1.0, 6.0, 0.0, 7.0, 0.0, -0.00730000017210841, 2.0, 1.12999999523163, 13.0, -0.230000004172325
-InChI%3D1S%2FC16H17N3O5S%2Fc1-7-6-25-15-11%2814%2822%2919%2815%2912%287%2916%2823%2924%2918-13%2821%2910%2817%298-2-4-9%2820%295-3-8%2Fh2-5%2C10-11%2C15%2C20H%2C6%2C17H2%2C1H3%2C%28H%2C18%2C21%29%28H%2C23%2C24%29%2Ft10-%2C11%3F%2C15-%2Fm1%2Fs1, 66.1809997558594, 0.0, 2.0, 1.63532948493958, , 8.0, 4.0, 27.0, 6.0, 5.0, 6.0, -1.27880001068115, 4.0, 2.23000001907349, 42.0, -2.6010000705719
-InChI%3D1S%2FC5H4N4O%2Fc10-5-3-1-8-9-4%283%296-2-7-5%2Fh1-2H%2C%28H2%2C6%2C7%2C8%2C9%2C10%29, 2.56459999084473, 0.0, 0.0, 0.211876094341278, , 9.0, 3.0, 11.0, 10.0, 0.0, 6.0, -0.460299998521805, 0.0, 1.46000003814697, 13.0, -0.405000001192093
-InChI%3D1S%2FC6H12O6%2Fc7-1-2-3%288%294%289%295%2810%296%2811%2912-2%2Fh2-11H%2C1H2%2Ft2%3F%2C3-%2C4%3F%2C5%2B%2C6%3F%2Fm0%2Fs1, 35.9234008789062, 0.0, 0.0, 6.31717967987061, , 0.0, 5.0, 12.0, 0.0, 2.0, 0.0, -2.51340007781982, 1.0, 1.46000003814697, 24.0, -1.69700002670288
-InChI%3D1S%2FC8H15N3O7%2Fc1-11%2810-17%298%2816%299-4-6%2814%295%2813%293%282-12%2918-7%284%2915%2Fh3-7%2C12-15H%2C2H2%2C1H3%2C%28H%2C9%2C16%29%2Ft3%3F%2C4%3F%2C5-%2C6-%2C7%2B%2Fm1%2Fs1, 56.0966987609863, 0.0, 0.0, 3.02725195884705, , 6.0, 5.0, 18.0, 0.0, 7.0, 0.0, -1.73989999294281, 4.0, 1.24000000953674, 33.0, -2.33699989318848
-InChI%3D1S%2FC6H14O6%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-12H%2C1-2H2%2Ft3-%2C4%2B%2C5-%2C6-%2Fm1%2Fs1, 38.4035987854004, 1.0, 6.0, 8.64477634429932, , 0.0, 6.0, 11.0, 0.0, 12.0, 0.0, -2.94020009040833, 5.0, 1.46000003814697, 26.0, -3.89599990844727
-InChI%3D1S%2FC26H29N3O6%2Fc1-17-22%2825%2830%2934-4%2924%2820-11-8-12-21%2815-20%2929%2832%2933%2923%2818%282%2927-17%2926%2831%2935-14-13-28%283%2916-19-9-6-5-7-10-19%2Fh5-12%2C15%2C24%2C27H%2C13-14%2C16H2%2C1-4H3, 79.1621017456055, 2.0, 2.0, 0.0396806411445141, , 11.0, 1.0, 37.0, 12.0, 8.0, 12.0, 0.199200004339218, 11.0, 3.32999992370605, 64.0, 6.6710000038147
-InChI%3D1S%2FC13H14Cl2O3%2Fc1-12%282%2C11%2816%2917%2918-9-5-3-8%284-6-9%2910-7-13%2810%2C14%2915%2Fh3-6%2C10H%2C7H2%2C1-2H3%2C%28H%2C16%2C17%29, 44.3660011291504, 0.0, 3.0, 1.53041636943817, , 7.0, 1.0, 19.0, 6.0, 7.0, 6.0, 1.23710000514984, 4.0, 2.33999991416931, 32.0, 3.59400010108948
-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, 34.4664001464844, 0.0, 2.0, 1.26247692108154, , 8.0, 2.0, 18.0, 6.0, 2.0, 6.0, -1.12360000610352, 2.0, 2.23000001907349, 29.0, 3.76099991798401
-InChI%3D1S%2FC15H17N7O5S3%2Fc1-21-14%2818-19-20-21%2930-6-8-5-29-13-15%2827-2%2C17-9%2823%297-28-4-3-16%2912%2826%2922%2813%2910%288%2911%2824%2925%2Fh13H%2C4-7H2%2C1-2H3%2C%28H%2C17%2C23%29%28H%2C24%2C25%29%2Ft13-%2C15%3F%2Fm1%2Fs1, 101.079498291016, 1.0, 2.0, 0.26132544875145, , 8.0, 2.0, 32.0, 5.0, 8.0, 5.0, 0.51120001077652, 9.0, 1.46000003814697, 47.0, -1.25800001621246
-InChI%3D1S%2FC21H29NO2%2Fc23-17-7-6-16-12-19-21%2824%299-2-1-8-20%2821%2C18%2816%2913-17%2910-11-22%2819%2914-15-4-3-5-15%2Fh6-7%2C13%2C15%2C19%2C23-24H%2C1-5%2C8-12%2C14H2%2Ft19-%2C20%2B%2C21-%2Fm1%2Fs1, 64.8486022949219, 0.0, 0.0, 2.59918880462646, , 7.0, 2.0, 28.0, 6.0, 0.0, 6.0, -1.61220002174377, 2.0, 3.44000005722046, 53.0, 3.66300010681152
-InChI%3D1S%2FC19H17ClF3NO4%2Fc1-12%2825%2924-10-11-27-18%2826%2917%2813-2-6-15%2820%297-3-13%2928-16-8-4-14%285-9-16%2919%2821%2C22%2923%2Fh2-9%2C17H%2C10-11H2%2C1H3%2C%28H%2C24%2C25%29, 46.4221992492676, 1.0, 2.0, 1.36282277107239, , 7.0, 1.0, 29.0, 12.0, 11.0, 12.0, 1.16740000247955, 9.0, 2.55999994277954, 45.0, 5.56099987030029
-InChI%3D1S%2FC22H28N2O2%2Fc1-2-26-21%2825%2922%2819-6-4-3-5-7-19%2913-16-24%2817-14-22%2915-12-18-8-10-20%2823%2911-9-18%2Fh3-11H%2C2%2C12-17%2C23H2%2C1H3, 53.5148010253906, 1.0, 2.0, 0.00187488994561136, , 7.0, 1.0, 28.0, 12.0, 5.0, 12.0, -0.0432999990880489, 7.0, 3.44000005722046, 54.0, 5.43400001525879
-InChI%3D1S%2FC15H22N2O4%2Fc1-19-12-7-10%288-13%2820-2%2914%2812%2921-3%2915%2818%2917-11-5-4-6-16-9-11%2Fh7-8%2C11%2C16H%2C4-6%2C9H2%2C1-3H3%2C%28H%2C17%2C18%29, 52.2759017944336, 0.0, 0.0, 1.88430523872375, , 12.0, 2.0, 22.0, 6.0, 3.0, 6.0, -1.37269997596741, 5.0, 2.45000004768372, 43.0, 1.13199996948242
-InChI%3D1S%2FC41H67NO15%2Fc1-19-17-41%2818-49-41%2938%2846%2923%285%2934%2853-27%289%2943%2921%283%2925%287%2952-39%2847%2924%286%2935%2856-32-16-31%2848-14%2936%2826%288%2951-32%2954-28%2810%2944%2922%284%2933%2819%2957-40-37%2855-29%2811%2945%2930%2842%2812%2913%2915-20%282%2950-40%2Fh19-26%2C30-37%2C40H%2C15-18H2%2C1-14H3%2Ft19-%2C20%2B%2C21-%2C22%2B%2C23%2B%2C24%2B%2C25%2B%2C26-%2C30-%2C31%3F%2C32-%2C33-%2C34-%2C35%3F%2C36-%2C37%2B%2C40%3F%2C41-%2Fm0%2Fs1, 196.536697387695, 2.0, 0.0, 1.17896163463593, , 3.0, 0.0, 60.0, 0.0, 4.0, 0.0, -1.08580005168915, 12.0, 4.21000003814697, 124.0, 2.91599988937378
-InChI%3D1S%2FC7H10N4O2S%2Fc8-5-1-3-6%284-2-5%2914%2812%2C13%2911-7%289%2910%2Fh1-4H%2C8H2%2C%28H4%2C9%2C10%2C11%29, 24.0634002685547, 0.0, 0.0, 2.70470905303955, , 14.0, 4.0, 14.0, 6.0, 7.0, 6.0, -1.64460003376007, 3.0, 1.46000003814697, 24.0, 0.232999995350838
-InChI%3D1S%2FC31H48O6%2Fc1-17%282%299-8-10-20%2828%2835%2936%2926-22-15-24%2834%2927-29%285%2913-12-23%2833%2918%283%2921%2829%2911-14-30%2827%2C6%2931%2822%2C7%2916-25%2826%2937-19%284%2932%2Fh9%2C18%2C21-25%2C27%2C33-34H%2C8%2C10-16H2%2C1-7H3%2C%28H%2C35%2C36%29%2Fb26-20-%2Ft18-%2C21-%2C22-%2C23%2B%2C24%2B%2C25-%2C27-%2C29%3F%2C30-%2C31-%2Fm0%2Fs1, 142.003402709961, 1.0, 7.0, 2.63185739517212, , 5.0, 3.0, 40.0, 0.0, 10.0, 0.0, 1.62230002880096, 6.0, 4.21000003814697, 85.0, 5.90399980545044
-InChI%3D1S%2FC22H30O5%2Fc1-12-8-14-15-5-7-22%2827%2C18%2826%2911-23%2921%2815%2C3%2910-17%2825%2919%2814%2920%282%296-4-13%2824%299-16%2812%2920%2Fh4%2C6%2C9%2C12%2C14-15%2C17%2C19%2C23%2C25%2C27H%2C5%2C7-8%2C10-11H2%2C1-3H3%2Ft12-%2C14%3F%2C15-%2C17-%2C19%2B%2C20%3F%2C21%3F%2C22-%2Fm0%2Fs1, 101.279098510742, 0.0, 2.0, 0.960204005241394, , 6.0, 3.0, 30.0, 0.0, 4.0, 0.0, -0.979900002479553, 2.0, 3.32999992370605, 57.0, 1.52499997615814
-InChI%3D1S%2FC19H23NO2%2Fc1-14%282%2912-16-7-9-17%2810-8-16%2915%283%2919%2821%2922-13-18-6-4-5-11-20-18%2Fh4-11%2C14-15H%2C12-13H2%2C1-3H3, 39.3804016113281, 1.0, 3.0, 1.23076832294464, , 6.0, 0.0, 23.0, 12.0, 6.0, 12.0, 1.10940003395081, 7.0, 3.22000002861023, 45.0, 6.92700004577637
-InChI%3D1S%2FC20H17FO3S%2Fc1-12-17%289-13-3-6-15%287-4-13%2925%282%2924%2916-8-5-14%2821%2910-19%2816%2918%2812%2911-20%2822%2923%2Fh3-10H%2C11H2%2C1-2H3%2C%28H%2C22%2C23%29, 49.9818992614746, 0.0, 2.0, 0.716731548309326, , 18.0, 1.0, 27.0, 12.0, 4.0, 12.0, 0.846599996089935, 4.0, 3.10999989509583, 42.0, 4.25799989700317
-InChI%3D1S%2FC25H36O3%2Fc1-3-4-5-6-7-24%2827%2928-23-13-12-22-21-10-8-17-16-18%2826%299-11-19%2817%2920%2821%2914-15-25%2822%2C23%292%2Fh9%2C11%2C16%2C20-23%2C26H%2C3-8%2C10%2C12-15H2%2C1-2H3%2Ft20-%2C21%3F%2C22%2B%2C23%2B%2C25%2B%2Fm1%2Fs1, 78.4175033569336, 1.0, 7.0, 1.36095559597015, , 7.0, 1.0, 31.0, 6.0, 9.0, 6.0, -1.16659998893738, 7.0, 3.88000011444092, 64.0, 7.91499996185303
-InChI%3D1S%2FC16H23NO%2Fc1-16-8-4-2-3-5-12%2815%2816%2917%299-11-6-7-13%2818%2910-14%2811%2916%2Fh6-7%2C10%2C12%2C15%2C18H%2C2-5%2C8-9%2C17H2%2C1H3%2Ft12%3F%2C15-%2C16%2B%2Fm0%2Fs1, 43.9165992736816, 0.0, 0.0, 2.30827260017395, , 7.0, 2.0, 20.0, 6.0, 0.0, 6.0, -1.51929998397827, 0.0, 3.0, 41.0, 3.90300011634827
-InChI%3D1S%2FC18H26N2O4%2Fc1-3-12-20%2813-4-2%2918%2824%2915%2810-11-16%2821%2922%2919-17%2823%2914-8-6-5-7-9-14%2Fh5-9%2C15H%2C3-4%2C10-13H2%2C1-2H3%2C%28H%2C19%2C23%29%28H%2C21%2C22%29, 60.9658012390137, 1.0, 5.0, 3.30039882659912, , 9.0, 2.0, 24.0, 6.0, 18.0, 6.0, -1.81669998168945, 11.0, 2.77999997138977, 50.0, 3.51300001144409
-InChI%3D1S%2FC47H74O19%2Fc1-20-41%2864-36-16-30%2850%2942%2821%282%2960-36%2965-37-17-31%2851%2943%2822%283%2961-37%2966-44-40%2856%2939%2855%2938%2854%2932%2818-48%2963-44%2929%2849%2915-35%2859-20%2962-25-8-10-45%284%2924%2813-25%296-7-27-28%2845%2914-33%2852%2946%285%2926%289-11-47%2827%2C46%2957%2923-12-34%2853%2958-19-23%2Fh12%2C20-22%2C24-33%2C35-44%2C48-52%2C54-57H%2C6-11%2C13-19H2%2C1-5H3%2Ft20-%2C21-%2C22-%2C24-%2C25%2B%2C26-%2C27-%2C28%2B%2C29%2B%2C30%2B%2C31%2B%2C32%3F%2C33-%2C35%2B%2C36%2B%2C37%2B%2C38-%2C39%2B%2C40-%2C41%3F%2C42%3F%2C43%3F%2C44%3F%2C45%3F%2C46%2B%2C47%3F%2Fm1%2Fs1, 216.877304077148, 2.0, 0.0, 29.4317092895508, , 5.0, 9.0, 74.0, 0.0, 2.0, 0.0, -5.42509984970093, 10.0, 4.53999996185303, 140.0, 0.637000024318695
-InChI%3D1S%2FC14H19NO2%2Fc1-17-14%2816%2913%2811-7-3-2-4-8-11%2912-9-5-6-10-15-12%2Fh2-4%2C7-8%2C12-13%2C15H%2C5-6%2C9-10H2%2C1H3, 35.7549018859863, 0.0, 2.0, 2.12197494506836, , 6.0, 1.0, 18.0, 6.0, 5.0, 6.0, -1.45669996738434, 4.0, 2.67000007629395, 36.0, 4.21500015258789
-InChI%3D1S%2FC18H18N2O%2Fc1-12%282%2920-16-11-13%283%299-10-15%2816%2917%2819-18%2820%2921%2914-7-5-4-6-8-14%2Fh4-12H%2C1-3H3, 34.037899017334, 1.0, 0.0, 0.000259210006333888, , 10.0, 0.0, 23.0, 12.0, 2.0, 12.0, 0.016100000590086, 2.0, 3.10999989509583, 41.0, 5.66499996185303
-InChI%3D1S%2FC27H38O6%2Fc1-24%282%2C3%2914-22%2831%2933-15-21%2830%2927%2832%2911-9-19-18-7-6-16-12-17%2828%298-10-25%2816%2C4%2923%2818%2920%2829%2913-26%2819%2C27%295%2Fh8%2C10%2C12%2C18-20%2C23%2C29%2C32H%2C6-7%2C9%2C11%2C13-15H2%2C1-5H3%2Ft18%3F%2C19-%2C20-%2C23%2B%2C25%3F%2C26-%2C27-%2Fm0%2Fs1, 124.598701477051, 0.0, 4.0, 1.21550619602203, , 6.0, 2.0, 36.0, 0.0, 11.0, 0.0, 1.10249996185303, 6.0, 3.76999998092651, 71.0, 3.26799988746643
-InChI%3D1S%2FC19H32N2O5%2Fc1-4-8-14%2819%2825%2926-5-2%2920-12%283%2917%2822%2921-15-10-7-6-9-13%2815%2911-16%2821%2918%2823%2924%2Fh12-16%2C20H%2C4-11H2%2C1-3H3%2C%28H%2C23%2C24%29%2Ft12-%2C13-%2C14-%2C15%3F%2C16-%2Fm0%2Fs1, 85.6710968017578, 0.0, 5.0, 7.22211885452271, , 3.0, 2.0, 27.0, 0.0, 14.0, 0.0, -2.68740010261536, 10.0, 2.77999997138977, 58.0, 2.57800006866455
-InChI%3D1S%2FC19H25NO2%2Fc1-14%288-9-16-6-4-3-5-7-16%2920-15%282%2919%2822%2917-10-12-18%2821%2913-11-17%2Fh3-7%2C10-15%2C19-22H%2C8-9H2%2C1-2H3, 38.1972999572754, 1.0, 4.0, 2.60887098312378, , 7.0, 3.0, 23.0, 12.0, 9.0, 12.0, -1.61520004272461, 7.0, 3.22000002861023, 47.0, 5.64099979400635
-InChI%3D1S%2FC17H23NO4%2Fc1-18%2821%2913-7-8-14%2818%2910-15%289-13%2922-17%2820%2916%2811-19%2912-5-3-2-4-6-12%2Fh2-6%2C13-16%2C19H%2C7-11H2%2C1H3%2Ft13-%2C14-%2C15-%2C16%3F%2C18-%2Fm1%2Fs1, 45.7028007507324, 0.0, 3.0, 6.09694862365723, , 6.0, 1.0, 24.0, 6.0, 6.0, 6.0, -2.46919989585876, 5.0, 2.77999997138977, 45.0, 2.77999997138977
-InChI%3D1S%2FC11H16ClN5%2Fc1-7%282%2915-10%2813%2917-11%2814%2916-9-5-3-8%2812%294-6-9%2Fh3-7H%2C1-2H3%2C%28H5%2C13%2C14%2C15%2C16%2C17%29, 40.7103004455566, 0.0, 3.0, 0.136013433337212, , 13.0, 5.0, 17.0, 6.0, 10.0, 6.0, 0.368800014257431, 6.0, 2.00999999046326, 33.0, 3.76900005340576
-InChI%3D1S%2FC10H12N2O3%2Fc1-3-5-10%286-4-2%297%2813%2911-9%2815%2912-8%2810%2914%2Fh3-4H%2C1-2%2C5-6H2%2C%28H2%2C11%2C12%2C13%2C14%2C15%29, 53.9194984436035, 0.0, 3.0, 0.393003612756729, , 8.0, 2.0, 15.0, 0.0, 3.0, 0.0, 0.626900017261505, 4.0, 2.00999999046326, 27.0, 1.8289999961853
-InChI%3D1S%2FC8H13N3O4S%2Fc1-3-16%2814%2C15%295-4-10-7%282%299-6-8%2810%2911%2812%2913%2Fh6H%2C3-5H2%2C1-2H3, 39.7389984130859, 0.0, 2.0, 0.000985960010439157, , 2.0, 1.0, 16.0, 5.0, 7.0, 0.0, -0.0313999988138676, 5.0, 1.46000003814697, 29.0, 0.898999989032745
-InChI%3D1S%2FC10H17N3S%2Fc1-2-5-12-7-3-4-8-9%286-7%2914-10%2811%2913-8%2Fh7%2C12H%2C2-6H2%2C1H3%2C%28H2%2C11%2C13%29, 52.2442016601562, 0.0, 3.0, 1.05740094184875, , 3.0, 3.0, 15.0, 0.0, 4.0, 0.0, -1.02830004692078, 3.0, 2.11999988555908, 33.0, 1.82599997520447
-InChI%3D1S%2FC10H15N5%2Fc11-9%2812%2915-10%2813%2914-7-6-8-4-2-1-3-5-8%2Fh1-5H%2C6-7H2%2C%28H6%2C11%2C12%2C13%2C14%2C15%29, 29.0634002685547, 0.0, 2.0, 0.0257602501660585, , 7.0, 5.0, 15.0, 6.0, 9.0, 6.0, -0.160500004887581, 6.0, 2.00999999046326, 30.0, 3.68300008773804
-InChI%3D1S%2FC21H36NO.ClH%2Fc1-4-22%285-2%2C6-3%2918-17-21%2823%2C19-13-9-7-10-14-19%2920-15-11-8-12-16-20%3B%2Fh7%2C9-10%2C13-14%2C20%2C23H%2C4-6%2C8%2C11-12%2C15-18H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, , 1.0, 3.0, , , 6.0, 1.0, 24.0, 6.0, 11.0, 6.0, , 8.0, 3.44000005722046, 60.0, 6.68599987030029
-InChI%3D1S%2FC20H24N.CH4O4S%2Fc1-21%282%2915-13-19%2814-16-21%2920%2817-9-5-3-6-10-17%2918-11-7-4-8-12-18%3B1-5-6%282%2C3%294%2Fh3-12H%2C13-16H2%2C1-2H3%3B1H3%2C%28H%2C2%2C3%2C4%29%2Fq%2B1%3B%2Fp-1, 53.2882995605469, 1.0, 0.0, 2.93402647972107, , 14.0, 0.0, 28.0, 12.0, 6.0, 12.0, -1.71290004253387, 3.0, 3.10999989509583, 54.0, 5.45300006866455
-InChI%3D1S%2FC18H13ClFN3%2Fc1-11-21-9-13-10-22-18%2814-4-2-3-5-16%2814%2920%2915-8-12%2819%296-7-17%2815%2923%2811%2913%2Fh2-9H%2C10H2%2C1H3, 26.4132995605469, 0.0, 0.0, 0.941482067108154, , 19.0, 1.0, 26.0, 17.0, 0.0, 17.0, 0.970300018787384, 1.0, 2.89000010490417, 36.0, 4.94700002670288
-InChI%3D1S%2FC4H6N4O3S2%2Fc1-2%289%296-3-7-8-4%2812-3%2913%285%2C10%2911%2Fh1H3%2C%28H2%2C5%2C10%2C11%29%28H%2C6%2C7%2C9%29, 32.8358993530273, 0.0, 2.0, 0.174389764666557, , 12.0, 3.0, 13.0, 5.0, 4.0, 5.0, -0.417600005865097, 2.0, 0.910000026226044, 19.0, -1.26400005817413
-InChI%3D1S%2FC22H28O3%2Fc1-4-22%2825-14%282%2923%2912-10-20-19-7-5-15-13-16%2824%296-8-17%2815%2918%2819%299-11-21%2820%2C22%293%2Fh1%2C13%2C17-20H%2C5-12H2%2C2-3H3%2Ft17-%2C18%2B%2C19%3F%2C20-%2C21-%2C22-%2Fm0%2Fs1, 93.5656967163086, 0.0, 2.0, 1.76757025718689, , 4.0, 0.0, 28.0, 0.0, 4.0, 0.0, 1.32949995994568, 2.0, 3.54999995231628, 53.0, 3.98399996757507
-InChI%3D1S%2FC27H30Cl2O6%2Fc1-15-11-19-18-7-6-16-12-17%2830%298-9-24%2816%2C2%2926%2818%2C29%2921%2831%2913-25%2819%2C3%2927%2815%2C22%2832%2914-28%2935-23%2833%2920-5-4-10-34-20%2Fh4-5%2C8-10%2C12%2C15%2C18-19%2C21%2C31H%2C6-7%2C11%2C13-14H2%2C1-3H3%2Ft15-%2C18%2B%2C19%2B%2C21%2B%2C24%2B%2C25%3F%2C26%2B%2C27%2B%2Fm1%2Fs1, 114.435600280762, 0.0, 2.0, 0.548044085502625, , 8.0, 1.0, 39.0, 5.0, 4.0, 5.0, 0.740299999713898, 5.0, 3.54999995231628, 65.0, 3.58299994468689
-InChI%3D1S%2FC23H30O3%2Fc1-8-26-23%2824%2914-17%283%2911-9-10-16%282%2912-13-21-18%284%2915-22%2825-7%2920%286%2919%2821%295%2Fh9-15H%2C8H2%2C1-7H3, 89.8675994873047, 1.0, 9.0, 22.9738082885742, , 18.0, 0.0, 26.0, 6.0, 15.0, 6.0, 4.79309988021851, 8.0, 3.66000008583069, 56.0, 6.77299976348877
-InChI%3D1S%2FC9H5Cl2NO%2Fc10-6-4-7%2811%299%2813%298-5%286%292-1-3-12-8%2Fh1-4%2C13H, 13.7958002090454, 0.0, 0.0, 1.05740094184875, , 11.0, 1.0, 14.0, 11.0, 0.0, 10.0, 1.02830004692078, 0.0, 2.00999999046326, 18.0, 2.0460000038147
-InChI%3D1S%2FC29H34O6%2Fc1-2-32-29-26%2830%2928%2834-20-24-16-10-5-11-17-24%2927%2835-29%2925%2833-19-23-14-8-4-9-15-23%2921-31-18-22-12-6-3-7-13-22%2Fh3-17%2C25-30H%2C2%2C18-21H2%2C1H3%2Ft25%3F%2C26%3F%2C27-%2C28-%2C29-%2Fm1%2Fs1, 56.2685012817383, 2.0, 2.0, 0.811981201171875, , 6.0, 1.0, 38.0, 18.0, 6.0, 18.0, -0.901099979877472, 13.0, 3.99000000953674, 69.0, 7.80999994277954
-InChI%3D1S%2FC27H33N3O8%2Fc1-26%2837%2913-7-6-8-16%2831%2917%2813%2921%2832%2918-14%2826%2911-15-20%2829%282%293%2922%2833%2919%2824%2835%2927%2815%2C38%2923%2818%2934%2925%2836%2928-12-30-9-4-5-10-30%2Fh6-8%2C14-15%2C20%2C31%2C33-34%2C37-38H%2C4-5%2C9-12H2%2C1-3H3%2C%28H%2C28%2C36%29%2Ft14%3F%2C15-%2C20%3F%2C26%2B%2C27%3F%2Fm0%2Fs1, 109.981597900391, 1.0, 0.0, 19.8657398223877, , 12.0, 6.0, 42.0, 6.0, 4.0, 6.0, -4.45709991455078, 4.0, 3.22000002861023, 71.0, 1.13300001621246
-InChI%3D1S%2FC16H10ClNO2S%2Fc17-12-8-6-10%287-9-12%2913-14%2816%2819%2920%2921-15%2818-13%2911-4-2-1-3-5-11%2Fh1-9H%2C%28H%2C19%2C20%29, 20.6284008026123, 1.0, 0.0, 1.19924402236938, , 20.0, 2.0, 23.0, 17.0, 2.0, 17.0, 1.09510004520416, 3.0, 2.67000007629395, 31.0, 5.38700008392334
-InChI%3D1S%2FC16H14ClN3O%2Fc1-18-15-10-20%2821%2916%2811-5-3-2-4-6-11%2913-9-12%2817%297-8-14%2813%2919-15%2Fh2-9H%2C10H2%2C1H3%2C%28H%2C18%2C19%29, 29.6387004852295, 0.0, 0.0, 0.186537608504295, , 18.0, 1.0, 23.0, 12.0, 2.0, 12.0, -0.43189999461174, 1.0, 2.67000007629395, 35.0, 4.91400003433228
-InChI%3D1S%2FC12H15NO3%2Fc1-8-3-9%282%295-10%284-8%2915-7-11-6-13-12%2814%2916-11%2Fh3-5%2C11H%2C6-7H2%2C1-2H3%2C%28H%2C13%2C14%29, 35.086498260498, 0.0, 0.0, 1.81629526615143, , 7.0, 1.0, 17.0, 6.0, 2.0, 6.0, 1.34769999980927, 3.0, 2.33999991416931, 31.0, 3.125
-InChI%3D1S%2FC18H18N6O5S2%2Fc19-12%288-1-3-10%2825%294-2-8%2915%2826%2921-13-16%2827%2924-14%2818%2828%2929%299%287-31-17%2813%2924%296-30-11-5-20-23-22-11%2Fh1-5%2C12-13%2C17%2C25H%2C6-7%2C19H2%2C%28H%2C21%2C26%29%28H%2C28%2C29%29%28H%2C20%2C22%2C23%29%2Ft12-%2C13%3F%2C17-%2Fm1%2Fs1, 73.1846008300781, 0.0, 2.0, 1.73870599269867, , 8.0, 4.0, 34.0, 11.0, 5.0, 6.0, -1.3186000585556, 7.0, 2.00999999046326, 48.0, -2.65000009536743
-InChI%3D1S%2FC13H20N2O2%2Fc16-11-13%2817%2910-14-6-8-15%289-7-14%2912-4-2-1-3-5-12%2Fh1-5%2C13%2C16-17H%2C6-11H2%2Ft13-%2Fm0%2Fs1, 42.5962982177734, 0.0, 3.0, 0.765625, , 7.0, 2.0, 18.0, 6.0, 5.0, 6.0, -0.875, 4.0, 2.45000004768372, 37.0, 0.867999970912933
-InChI%3D1S%2FC14H19N5O4%2Fc1-9%2820%2922-6-11%287-23-10%282%2921%293-4-19-8-17-12-5-16-14%2815%2918-13%2812%2919%2Fh5%2C8%2C11H%2C3-4%2C6-7H2%2C1-2H3%2C%28H2%2C15%2C16%2C18%29, 62.0931015014648, 0.0, 4.0, 1.36048901081085, , 4.0, 4.0, 24.0, 5.0, 13.0, 0.0, -1.16639995574951, 9.0, 2.00999999046326, 44.0, 0.962000012397766
-InChI%3D1S%2FC21H25N%2Fc1-21%282%2C3%2915-8-5-9-16-22%284%2917-19-13-10-12-18-11-6-7-14-20%2818%2919%2Fh5-7%2C9-14H%2C16-17H2%2C1-4H3, 56.0279006958008, 1.0, 7.0, 7.57955980300903, , 10.0, 0.0, 23.0, 11.0, 12.0, 10.0, 2.75309991836548, 4.0, 3.66000008583069, 47.0, 7.69600009918213
-InChI%3D1S%2FC27H37FO6%2Fc1-5-6-7-23%2832%2934-15-22%2831%2927%2833%2916%282%2912-20-19-9-8-17-13-18%2829%2910-11-24%2817%2C3%2926%2819%2C28%2921%2830%2914-25%2820%2C27%294%2Fh10-11%2C13%2C16%2C19-21%2C30%2C33H%2C5-9%2C12%2C14-15H2%2C1-4H3%2Ft16-%2C19%2B%2C20%3F%2C21%2B%2C24%2B%2C25%2B%2C26%3F%2C27%2B%2Fm1%2Fs1, 121.293502807617, 0.0, 5.0, 1.1335860490799, , 6.0, 2.0, 37.0, 0.0, 10.0, 0.0, -1.06470000743866, 7.0, 3.66000008583069, 71.0, 2.83999991416931
-InChI%3D1S%2FC48H74O14%2Fc1-11-25%282%2943-28%285%2917-18-47%2862-43%2923-34-20-33%2861-47%2916-15-27%284%2942%2826%283%2913-12-14-32-24-55-45-40%2849%2929%286%2919-35%2846%2851%2958-34%2948%2832%2C45%2952%2959-39-22-37%2854-10%2944%2831%288%2957-39%2960-38-21-36%2853-9%2941%2850%2930%287%2956-38%2Fh12-15%2C19%2C25-26%2C28%2C30-31%2C33-45%2C49-50%2C52H%2C11%2C16-18%2C20-24H2%2C1-10H3%2Fb13-12%2B%2C27-15%2B%2C32-14%2B%2Ft25-%2C26-%2C28-%2C30-%2C31-%2C33%2B%2C34-%2C35-%2C36-%2C37%3F%2C38-%2C39-%2C40%2B%2C41-%2C42-%2C43%2B%2C44-%2C45%2B%2C47%2B%2C48%3F%2Fm0%2Fs1, 218.311492919922, 1.0, 4.0, 2.21116900444031, , 4.0, 3.0, 68.0, 0.0, 4.0, 0.0, -1.48699998855591, 8.0, 5.19999980926514, 136.0, 2.83899998664856
-InChI%3D1S%2FC16H16N4O%2Fc17-15%2818%2912-5-2-10%283-6-12%291-4-11-7-8-13%2816%2819%2920%299-14%2811%2921%2Fh1-9%2C21H%2C%28H3%2C17%2C18%29%28H3%2C19%2C20%29, 30.2803993225098, 0.0, 2.0, 0.894348502159119, , 21.0, 5.0, 22.0, 12.0, 3.0, 12.0, -0.945699989795685, 4.0, 2.67000007629395, 37.0, 4.03700017929077
-InChI%3D1S%2FC18H18N6O8S3%2Fc25-13%289-4-2-1-3-5-9%2914%2826%2919-11-15%2827%2924-12%2817%2828%2929%2910%286-33-16%2811%2924%297-34-18-20-21-22-23%2818%298-35%2830%2C31%2932%2Fh1-5%2C11%2C13%2C16%2C25H%2C6-8H2%2C%28H%2C19%2C26%29%28H%2C28%2C29%29%28H%2C30%2C31%2C32%29%2Ft11%3F%2C13-%2C16-%2Fm1%2Fs1, 87.013801574707, 1.0, 2.0, 1.19137227535248, , 8.0, 4.0, 38.0, 11.0, 5.0, 11.0, -1.09150004386902, 9.0, 1.57000005245209, 53.0, -0.527999997138977
-InChI%3D1S%2FC15H13NO3%2Fc1-9%2815%2817%2918%2910-4-5-13-12%287-10%298-11-3-2-6-16-14%2811%2919-13%2Fh2-7%2C9H%2C8H2%2C1H3%2C%28H%2C17%2C18%29, 22.7935009002686, 0.0, 3.0, 0.12752041220665, , 13.0, 1.0, 21.0, 12.0, 5.0, 12.0, 0.357100009918213, 2.0, 2.67000007629395, 32.0, 2.83599996566772
-InChI%3D1S%2FC13H17N5O8S2%2Fc1-5-7%2810%2820%2918%285%2928%2823%2C24%2925%2916-9%2819%298%286-4-27-12%2814%2915-6%2917-26-13%282%2C3%2911%2821%2922%2Fh4-5%2C7H%2C1-3H3%2C%28H2%2C14%2C15%29%28H%2C16%2C19%29%28H%2C21%2C22%29%28H%2C23%2C24%2C25%29%2Fb17-8-%2Ft5-%2C7%3F%2Fm0%2Fs1, 93.1943969726562, 1.0, 3.0, 0.693222761154175, , 7.0, 5.0, 29.0, 0.0, 12.0, 0.0, -0.832599997520447, 7.0, 1.24000000953674, 47.0, -0.652999997138977
-InChI%3D1S%2FC15H10BrClN4S%2Fc1-8-19-20-13-7-18-14%289-4-2-3-5-11%289%2917%2910-6-12%2816%2922-15%2810%2921%288%2913%2Fh2-6H%2C7H2%2C1H3, 42.253101348877, 0.0, 0.0, 3.33573698997498, , 18.0, 1.0, 25.0, 16.0, 0.0, 16.0, 1.8264000415802, 1.0, 2.33999991416931, 32.0, 4.77899980545044
-InChI%3D1S%2FC23H28ClN3O2S%2Fc1-18%2828%2929-16-15-26-13-11-25%2812-14-26%299-4-10-27-20-5-2-3-6-22%2820%2930-23-8-7-19%2824%2917-21%2823%2927%2Fh2-3%2C5-8%2C17H%2C4%2C9-16H2%2C1H3, 74.4283981323242, 0.0, 3.0, 1.20582365989685, , 13.0, 0.0, 33.0, 12.0, 6.0, 12.0, 1.09809994697571, 8.0, 3.22000002861023, 58.0, 4.13100004196167
-InChI%3D1S%2FC21H25N3O2S%2Fc25-14-16-26-15-13-23-9-11-24%2812-10-23%2921-17-5-1-3-7-19%2817%2927-20-8-4-2-6-18%2820%2922-21%2Fh1-8%2C25H%2C9-16H2, 61.2714004516602, 0.0, 2.0, 0.155551359057426, , 15.0, 1.0, 30.0, 12.0, 6.0, 12.0, -0.394400000572205, 6.0, 3.10999989509583, 52.0, 3.85500001907349
-InChI%3D1S%2FC23H30O6%2Fc1-13%2824%2929-12-19%2827%2923%2828%299-7-17-16-5-4-14-10-15%2825%296-8-21%2814%2C2%2920%2816%2918%2826%2911-22%2817%2C23%293%2Fh6%2C8%2C10%2C16-18%2C20%2C26%2C28H%2C4-5%2C7%2C9%2C11-12H2%2C1-3H3%2Ft16%3F%2C17-%2C18-%2C20%2B%2C21-%2C22%3F%2C23-%2Fm0%2Fs1, 106.347099304199, 0.0, 2.0, 0.22905795276165, , 6.0, 2.0, 32.0, 0.0, 7.0, 0.0, -0.47859999537468, 4.0, 3.32999992370605, 59.0, 1.33200001716614
-InChI%3D1S%2FC12H21N5O2S2%2Fc1-13-11%286-17%2818%2919%2914-4-5-20-8-10-9-21-12%2815-10%297-16%282%293%2Fh6%2C9%2C13-14H%2C4-5%2C7-8H2%2C1-3H3, 71.5422973632812, 0.0, 2.0, 0.00375769007951021, , 7.0, 3.0, 21.0, 5.0, 12.0, 5.0, 0.0612999983131886, 10.0, 1.78999996185303, 42.0, 2.13800001144409
-InChI%3D1S%2FC21H28O5%2Fc1-20-7-6-13%2824%298-12%2820%292-3-14-15-4-5-16%2818%2826%2910-22%2921%2815%2C11-23%299-17%2825%2919%2814%2920%2Fh8%2C11%2C14-17%2C19%2C22%2C25H%2C2-7%2C9-10H2%2C1H3%2Ft14%3F%2C15-%2C16-%2C17-%2C19%2B%2C20-%2C21%3F%2Fm0%2Fs1, 95.9124984741211, 0.0, 2.0, 1.83738029003143, , 4.0, 2.0, 29.0, 0.0, 4.0, 0.0, -1.35549998283386, 3.0, 3.22000002861023, 54.0, 0.256999999284744
-InChI%3D1S%2FC32H24N6O6S2.2Na%2Fc33-31-25-7-3-1-5-23%2825%2929%2845%2839%2C40%2941%2917-27%2831%2937-35-21-13-9-19%2810-14-21%2920-11-15-22%2816-12-20%2936-38-28-18-30%2846%2842%2C43%2944%2924-6-2-4-8-26%2824%2932%2828%2934%3B%3B%2Fh1-18H%2C33-34H2%2C%28H%2C39%2C40%2C41%29%28H%2C42%2C43%2C44%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb37-35%2B%2C38-36%2B%3B%3B, , 2.0, 0.0, , , 46.0, 2.0, 51.0, 34.0, 3.0, 32.0, , 7.0, 3.22000002861023, 70.0, 8.23200035095215
-InChI%3D1S%2FC49H76O20%2Fc1-21-43%2867-38-17-32%2853%2944%2822%282%2962-38%2968-39-18-33%2864-24%284%2951%2945%2823%283%2963-39%2969-46-42%2858%2941%2857%2940%2856%2934%2819-50%2966-46%2931%2852%2916-37%2861-21%2965-27-9-11-47%285%2926%2814-27%297-8-29-30%2847%2915-35%2854%2948%286%2928%2810-12-49%2829%2C48%2959%2925-13-36%2855%2960-20-25%2Fh13%2C21-23%2C26-35%2C37-46%2C50%2C52-54%2C56-59H%2C7-12%2C14-20H2%2C1-6H3%2Ft21-%2C22-%2C23-%2C26-%2C27%2B%2C28-%2C29-%2C30%2B%2C31%2B%2C32%3F%2C33%2B%2C34%3F%2C35-%2C37%2B%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42-%2C43%3F%2C44%3F%2C45%3F%2C46%2B%2C47%3F%2C48%2B%2C49%3F%2Fm1%2Fs1, 226.028793334961, 3.0, 0.0, 25.4621162414551, , 5.0, 8.0, 77.0, 0.0, 4.0, 0.0, -5.0460000038147, 12.0, 4.65000009536743, 145.0, 1.37699997425079
-InChI%3D1S%2FC6H12O6%2Fc7-1-2-3%288%294%289%295%2810%296%2811%2912-2%2Fh2-11H%2C1H2%2Ft2%3F%2C3-%2C4%3F%2C5-%2C6%3F%2Fm1%2Fs1, 35.9234008789062, 0.0, 0.0, 6.31717967987061, , 0.0, 5.0, 12.0, 0.0, 2.0, 0.0, -2.51340007781982, 1.0, 1.46000003814697, 24.0, -1.69700002670288
-InChI%3D1S%2FC35H42N2O11%2Fc1-7-46-35%2840%2948-31-26%2842-3%2912-18%2813-27%2831%2943-4%2933%2838%2947-28-14-19-17-37-11-10-22-21-9-8-20%2841-2%2915-24%2821%2936-30%2822%2925%2837%2916-23%2819%2929%2832%2828%2944-5%2934%2839%2945-6%2Fh8-9%2C12-13%2C15%2C19%2C23%2C25%2C28-29%2C32%2C36H%2C7%2C10-11%2C14%2C16-17H2%2C1-6H3%2Ft19%3F%2C23-%2C25%2B%2C28%3F%2C29-%2C32-%2Fm0%2Fs1, 110.275497436523, 1.0, 2.0, 0.176736161112785, , 15.0, 1.0, 53.0, 16.0, 6.0, 12.0, 0.420399993658066, 13.0, 3.88000011444092, 89.0, 3.71000003814697
-InChI%3D1S%2FC26H36O3%2Fc1-26-15-14-21-20-10-8-19%2827%2916-18%2820%297-9-22%2821%2923%2826%2911-12-24%2826%2929-25%2828%2913-6-17-4-2-3-5-17%2Fh8%2C10%2C16-17%2C21-24%2C27H%2C2-7%2C9%2C11-15H2%2C1H3%2Ft21-%2C22%3F%2C23%2B%2C24%2B%2C26%3F%2Fm1%2Fs1, 82.8537979125977, 1.0, 3.0, 0.0328334383666515, , 7.0, 1.0, 33.0, 6.0, 5.0, 6.0, -0.181199997663498, 5.0, 3.99000000953674, 65.0, 8.08300018310547
-InChI%3D1S%2FC7H17NO5%2Fc1-8-2-4%2810%296%2812%297%2813%295%2811%293-9%2Fh4-13H%2C2-3H2%2C1H3%2Ft4-%2C5%2B%2C6%2B%2C7%2B%2Fm0%2Fs1, 44.8357009887695, 1.0, 6.0, 7.82880401611328, , 0.0, 6.0, 12.0, 0.0, 13.0, 0.0, -2.79800009727478, 6.0, 1.57000005245209, 30.0, -3.57299995422363
-InChI%3D1S%2FC9H11N3O4%2Fc10-5-1-2-12-8-7%2816-9%2812%2911-5%296%2814%294%283-13%2915-8%2Fh1-2%2C4%2C6-8%2C10%2C13-14H%2C3H2%2Ft4%3F%2C6-%2C7%3F%2C8-%2Fm1%2Fs1, 50.6967010498047, 0.0, 0.0, 0.87385106086731, , 3.0, 4.0, 18.0, 0.0, 2.0, 0.0, -0.934800028800964, 1.0, 1.67999994754791, 31.0, -1.34200000762939
-InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29, 55.7243003845215, 0.0, 2.0, 0.0070728100836277, , 5.0, 1.0, 14.0, 0.0, 7.0, 0.0, 0.0841000005602837, 5.0, 1.46000003814697, 29.0, 0.834999978542328
-InChI%3D1S%2FC4H11NO3%2Fc5-4%281-6%2C2-7%293-8%2Fh6-8H%2C1-3%2C5H2, 28.3554992675781, 0.0, 3.0, 5.66868495941162, , 0.0, 4.0, 7.0, 0.0, 8.0, 0.0, -2.38089990615845, 3.0, 1.46000003814697, 19.0, -2.66199994087219
-InChI%3D1S%2FC9H8N2O2%2Fc10-9-11-8%2812%297%2813-9%296-4-2-1-3-5-6%2Fh1-5%2C7H%2C%28H2%2C10%2C11%2C12%29, 19.1490993499756, 0.0, 0.0, 0.0896403566002846, , 6.0, 2.0, 14.0, 6.0, 0.0, 6.0, -0.299400001764297, 1.0, 2.00999999046326, 21.0, 2.61199998855591
-InChI%3D1S%2FC24H36O3%2Fc1-6-7-8-9-12-23%282%2C3%2916-13-20%2826%2922-18-15-17%2825%2910-11-19%2818%2924%284%2C5%2927-21%2822%2914-16%2Fh13-14%2C18-19%2C26H%2C6-12%2C15H2%2C1-5H3%2Ft18-%2C19%3F%2Fm1%2Fs1, 79.2587966918945, 1.0, 8.0, 0.179267555475235, , 8.0, 1.0, 29.0, 6.0, 9.0, 6.0, -0.423400014638901, 6.0, 3.76999998092651, 63.0, 6.84299993515015
-InChI%3D1S%2FC15H15NO2S%2Fc16-14%2817%2911-19%2818%2915%2812-7-3-1-4-8-12%2913-9-5-2-6-10-13%2Fh1-10%2C15H%2C11H2%2C%28H2%2C16%2C17%29, 25.6014995574951, 0.0, 2.0, 0.731024980545044, , 6.0, 2.0, 20.0, 12.0, 7.0, 12.0, -0.855000019073486, 5.0, 2.67000007629395, 34.0, 4.42999982833862
-InChI%3D1S%2FC29H38F3N3O2S%2Fc1-2-3-4-5-11-28%2836%2937-21-20-34-18-16-33%2817-19-34%2914-8-15-35-24-9-6-7-10-26%2824%2938-27-13-12-23%2822-25%2827%2935%2929%2830%2C31%2932%2Fh6-7%2C9-10%2C12-13%2C22H%2C2-5%2C8%2C11%2C14-21H2%2C1H3, 91.9172973632812, 2.0, 7.0, 0.141451209783554, , 13.0, 0.0, 41.0, 12.0, 11.0, 12.0, 0.37610000371933, 14.0, 3.66000008583069, 76.0, 7.67799997329712
-InChI%3D1S%2FC15H14ClN3O4S3%2Fc16-11-6-12-14%287-13%2811%2925%2817%2C20%2921%2926%2822%2C23%2919-15%2818-12%299-24-8-10-4-2-1-3-5-10%2Fh1-7H%2C8-9H2%2C%28H%2C18%2C19%29%28H2%2C17%2C20%2C21%29, 51.1651000976562, 0.0, 0.0, 0.481080949306488, , 16.0, 2.0, 28.0, 12.0, 3.0, 12.0, -0.693599998950958, 5.0, 1.89999997615814, 40.0, 2.86199998855591
-InChI%3D1S%2FC6H18N4%2Fc7-1-3-9-5-6-10-4-2-8%2Fh9-10H%2C1-8H2, 43.3174018859863, 0.0, 2.0, 5.15744113922119, , 0.0, 4.0, 9.0, 0.0, 10.0, 0.0, -2.27099990844727, 7.0, 1.67999994754791, 28.0, -2.11400008201599
-InChI%3D1S%2FC10H14N2O5%2Fc1-5-3-12%2810%2816%2911-9%285%2915%298-2-6%2814%297%284-13%2917-8%2Fh3%2C6-8%2C13-14H%2C2%2C4H2%2C1H3%2C%28H%2C11%2C15%2C16%29%2Ft6-%2C7%3F%2C8%2B%2Fm0%2Fs1, 53.2775993347168, 0.0, 0.0, 4.53903007507324, , 4.0, 4.0, 18.0, 0.0, 2.0, 0.0, -2.13050007820129, 2.0, 1.78999996185303, 35.0, -1.38100004196167
-InChI%3D1S%2FC10H12O3%2Fc1-2-7-13-10%2812%298-3-5-9%2811%296-4-8%2Fh3-6%2C11H%2C2%2C7H2%2C1H3, 22.3787994384766, 0.0, 3.0, 0.602952241897583, , 10.0, 1.0, 13.0, 6.0, 6.0, 6.0, -0.77649998664856, 4.0, 2.23000001907349, 25.0, 2.17199993133545
-InChI%3D1S%2FC23H27N5O7S%2Fc1-4-26-10-11-27%2819%2832%2918%2826%2931%2922%2835%2925-13%2812-8-6-5-7-9-12%2916%2829%2924-14-17%2830%2928-15%2821%2833%2934%2923%282%2C3%2936-20%2814%2928%2Fh5-9%2C13-15%2C20H%2C4%2C10-11H2%2C1-3H3%2C%28H%2C24%2C29%29%28H%2C25%2C35%29%28H%2C33%2C34%29%2Ft13-%2C14%3F%2C15%2B%2C20-%2Fm1%2Fs1, 100.620002746582, 1.0, 2.0, 0.322056263685226, , 9.0, 3.0, 39.0, 6.0, 7.0, 6.0, -0.567499995231628, 7.0, 2.55999994277954, 63.0, 1.69500005245209
-InChI%3D1S%2FC9H13N%2Fc1-8%2810%297-9-5-3-2-4-6-9%2Fh2-6%2C8H%2C7%2C10H2%2C1H3, 18.3840999603271, 0.0, 3.0, 0.4714195728302, , 6.0, 1.0, 10.0, 6.0, 4.0, 6.0, -0.686600029468536, 2.0, 2.33999991416931, 23.0, 3.58200001716614
-InChI%3D1S%2FC17H20N2O5S%2Fc1-2-3-9-19-14-10-12%2817%2820%2921%2911-15%2825%2818%2C22%2923%2916%2814%2924-13-7-5-4-6-8-13%2Fh4-8%2C10-11%2C19H%2C2-3%2C9H2%2C1H3%2C%28H%2C20%2C21%29%28H2%2C18%2C22%2C23%29, 39.7140998840332, 0.0, 4.0, 5.12524318695068, , 21.0, 3.0, 26.0, 12.0, 5.0, 12.0, -2.2639000415802, 8.0, 2.45000004768372, 45.0, 2.92600011825562
-InChI%3D1S%2FC47H72O14%2Fc1-24%282%2941-27%285%2916-17-46%2861-41%2922-33-19-32%2860-46%2915-14-26%284%2942%2825%283%2912-11-13-31-23-54-44-39%2848%2928%286%2918-34%2845%2850%2957-33%2947%2831%2C44%2951%2958-38-21-36%2853-10%2943%2830%288%2956-38%2959-37-20-35%2852-9%2940%2849%2929%287%2955-37%2Fh11-14%2C18%2C24-25%2C27%2C29-30%2C32-44%2C48-49%2C51H%2C15-17%2C19-23H2%2C1-10H3%2Fb12-11%2B%2C26-14%2B%2C31-13%2B%2Ft25-%2C27-%2C29-%2C30-%2C32%2B%2C33-%2C34-%2C35-%2C36%3F%2C37-%2C38-%2C39%2B%2C40-%2C41%2B%2C42-%2C43-%2C44%2B%2C46%2B%2C47%3F%2Fm0%2Fs1, 215.233703613281, 1.0, 0.0, 0.657396614551544, , 4.0, 3.0, 67.0, 0.0, 2.0, 0.0, -0.810800015926361, 7.0, 5.09000015258789, 133.0, 2.26999998092651
-InChI%3D1S%2FC4H9NO%2Fc1-4%286%295%282%293%2Fh1-3H3, 24.2593002319336, 0.0, 2.0, 0.17665208876133, , 3.0, 0.0, 5.0, 0.0, 6.0, 0.0, -0.420300006866455, 1.0, 1.67999994754791, 15.0, -0.148000001907349
-InChI%3D1S%2FC18H26O5%2Fc1-12-6-5-9-14%2819%298-4-2-3-7-13-10-15%2820%2911-16%2821%2917%2813%2918%2822%2923-12%2Fh10-12%2C14%2C19-21H%2C2-9H2%2C1H3%2Ft12-%2C14%2B%2Fm0%2Fs1, 51.9266014099121, 0.0, 0.0, 12.076319694519, , 11.0, 3.0, 24.0, 6.0, 0.0, 6.0, -3.47510004043579, 0.0, 2.89000010490417, 49.0, 3.19199991226196
-InChI%3D1S%2FC7H8N4O2%2Fc1-10-5-4%288-3-9-5%296%2812%2911%282%297%2810%2913%2Fh3H%2C1-2H3%2C%28H%2C8%2C9%29, 26.2775001525879, 0.0, 0.0, 0.298771560192108, , 6.0, 2.0, 14.0, 5.0, 0.0, 0.0, -0.546599984169006, 0.0, 1.57000005245209, 20.0, -0.751999974250793
-InChI%3D1S%2FC15H12N2O2%2Fc18-13-15%2817-14%2819%2916-13%2C11-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H%2C%28H2%2C16%2C17%2C18%2C19%29, 19.0569000244141, 0.0, 0.0, 0.331660807132721, , 6.0, 2.0, 21.0, 12.0, 0.0, 12.0, -0.575900018215179, 2.0, 2.67000007629395, 31.0, 4.85400009155273
-InChI%3D1S%2FC15H18N4O5%2Fc1-5-9%2816%2912%2821%298-6%284-24-14%2817%2922%2915%2823-2%2913-7%2818-13%293-19%2815%2910%288%2911%285%2920%2Fh6-7%2C13%2C18H%2C3-4%2C16H2%2C1-2H3%2C%28H2%2C17%2C22%29%2Ft6-%2C7%2B%2C13%3F%2C15%3F%2Fm1%2Fs1, 81.9337005615234, 0.0, 0.0, 1.79077923297882, , 10.0, 4.0, 27.0, 0.0, 5.0, 0.0, -1.33819997310638, 4.0, 2.11999988555908, 42.0, -0.252000004053116
-InChI%3D1S%2FC6H14O6S2%2Fc1-13%287%2C8%2911-5-3-4-6-12-14%282%2C9%2910%2Fh3-6H2%2C1-2H3, 46.6245994567871, 0.0, 4.0, 1.28550243377686, , 4.0, 0.0, 13.0, 0.0, 14.0, 0.0, -1.13380002975464, 7.0, 1.24000000953674, 28.0, -1.23199999332428
-InChI%3D1S%2FC10H9N3O%2Fc11-9-5-8%286-13-10%289%2914%297-1-3-12-4-2-7%2Fh1-6H%2C11H2%2C%28H%2C13%2C14%29, 6.7866997718811, 0.0, 0.0, 1.46458399295807, , 14.0, 2.0, 15.0, 12.0, 0.0, 12.0, -1.21019995212555, 1.0, 2.11999988555908, 23.0, 0.903999984264374
-InChI%3D1S%2FC7H9N3O%2Fc8-7%2811%2910-9-6-4-2-1-3-5-6%2Fh1-5%2C9H%2C%28H3%2C8%2C10%2C11%29, 14.2775001525879, 0.0, 0.0, 0.244926005601883, , 11.0, 4.0, 11.0, 6.0, 5.0, 6.0, -0.494899988174438, 3.0, 1.78999996185303, 20.0, 3.25300002098083
-InChI%3D1S%2FC21H19N3O3S%2Fc1-27-20-13-14%2824-28%282%2C25%2926%2911-12-19%2820%2923-21-15-7-3-5-9-17%2815%2922-18-10-6-4-8-16%2818%2921%2Fh3-13%2C24H%2C1-2H3%2C%28H%2C22%2C23%29, 34.057201385498, 0.0, 0.0, 1.99374401569366, , 26.0, 1.0, 31.0, 18.0, 5.0, 18.0, -1.41199994087219, 4.0, 3.0, 47.0, 4.94799995422363
-InChI%3D1S%2FC23H29N3O2S%2Fc1-18%2828%2919-7-8-23-21%2817-19%2926%2820-5-2-3-6-22%2820%2929-23%2910-4-9-24-11-13-25%2814-12-24%2915-16-27%2Fh2-3%2C5-8%2C17%2C27H%2C4%2C9-16H2%2C1H3, 70.4317016601562, 0.0, 3.0, 0.0779526382684708, , 15.0, 1.0, 32.0, 12.0, 3.0, 12.0, -0.279199987649918, 7.0, 3.32999992370605, 58.0, 2.79699993133545
-InChI%3D1S%2FC20H4Cl4I4O5.2Na%2Fc21-10-8%289%2820%2831%2932%2911%2822%2913%2824%2912%2810%2923%297-3-1-5%2825%2916%2829%2914%2827%2918%283%2933-19-4%287%292-6%2826%2917%2830%2915%2819%2928%3B%3B%2Fh1-2%2C29H%2C%28H%2C31%2C32%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2, , 1.0, 0.0, , , 9.0, 0.0, 36.0, 12.0, 2.0, 12.0, , 2.0, 2.00999999046326, 43.0, 5.46500015258789
-InChI%3D1S%2FC14H22N2O2%2Fc1-6-16%285%2914%2817%2918-13-9-7-8-12%2810-13%2911%282%2915%283%294%2Fh7-11H%2C6H2%2C1-5H3, 48.068000793457, 0.0, 2.0, 0.347746104001999, , 10.0, 0.0, 18.0, 6.0, 7.0, 6.0, 0.589699983596802, 6.0, 2.55999994277954, 40.0, 2.77999997138977
-InChI%3D1S%2FC28H29F2N3O%2Fc29-22-11-7-20%288-12-22%2925%2821-9-13-23%2830%2914-10-21%294-3-17-32-18-15-24%2816-19-32%2933-27-6-2-1-5-26%2827%2931-28%2833%2934%2Fh1-2%2C5-14%2C24-25H%2C3-4%2C15-19H2%2C%28H%2C31%2C34%29, 44.6063995361328, 1.0, 4.0, 0.0526243597269058, , 8.0, 2.0, 38.0, 22.0, 4.0, 18.0, -0.229399994015694, 7.0, 3.88000011444092, 63.0, 7.90899991989136
-InChI%3D1S%2FC9H13NO2%2Fc1-10-6-9%2812%297-3-2-4-8%2811%295-7%2Fh2-5%2C9-12H%2C6H2%2C1H3%2Ft9-%2Fm0%2Fs1, 22.2360000610352, 0.0, 2.0, 1.63200628757477, , 7.0, 3.0, 12.0, 6.0, 5.0, 6.0, -1.2775000333786, 3.0, 2.11999988555908, 25.0, 0.46399998664856
-InChI%3D1S%2FC21H27NO4%2Fc23-14-5-4-13-10-16-21%2825%297-6-15%2824%2919-20%2821%2C17%2813%2918%2814%2926-19%298-9-22%2816%2911-12-2-1-3-12%2Fh4-5%2C12%2C15-16%2C19%2C23-25H%2C1-3%2C6-11H2%2Ft15%3F%2C16-%2C19%2B%2C20%2B%2C21-%2Fm1%2Fs1, 68.0511016845703, 0.0, 0.0, 4.41756343841553, , 8.0, 3.0, 31.0, 6.0, 0.0, 6.0, -2.10179996490479, 2.0, 3.22000002861023, 53.0, 1.44700002670288
-InChI%3D1S%2FC8H12N2%2Fc1-9-7-5-8-4-2-3-6-10-8%2Fh2-4%2C6%2C9H%2C5%2C7H2%2C1H3, 16.6205005645752, 0.0, 2.0, 0.353430241346359, , 6.0, 1.0, 10.0, 6.0, 4.0, 6.0, -0.594500005245209, 3.0, 2.11999988555908, 22.0, 1.44599997997284
-InChI%3D1S%2FC26H34O8.Na%2Fc1-14-10-16-17-7-9-26%2833%2C20%2829%2913-34-22%2832%295-4-21%2830%2931%2925%2817%2C3%2912-19%2828%2923%2816%2924%282%298-6-15%2827%2911-18%2814%2924%3B%2Fh6%2C8%2C11%2C14%2C16-17%2C19%2C23%2C28%2C33H%2C4-5%2C7%2C9-10%2C12-13H2%2C1-3H3%2C%28H%2C30%2C31%29%3B%2Fq%3B%2B1%2Fp-1%2Ft14-%2C16%3F%2C17-%2C19-%2C23%2B%2C24-%2C25-%2C26-%3B%2Fm0.%2Fs1, , 0.0, 4.0, , , 6.0, 2.0, 37.0, 0.0, 11.0, 0.0, , 7.0, 3.32999992370605, 68.0, 0.725000023841858
-InChI%3D1S%2FC16H13ClN2O2%2Fc1-19-13-8-7-11%2817%299-12%2813%2914%2818-15%2820%2916%2819%2921%2910-5-3-2-4-6-10%2Fh2-9%2C15%2C20H%2C1H3, 31.1173000335693, 0.0, 0.0, 0.0468722507357597, , 17.0, 1.0, 23.0, 12.0, 0.0, 12.0, -0.216499999165535, 1.0, 2.67000007629395, 34.0, 3.92000007629395
-InChI%3D1S%2FC21H39N7O12%2Fc1-5-21%2836%2C4-30%2916%2840-17-9%2826-2%2913%2834%2910%2831%296%283-29%2938-17%2918%2837-5%2939-15-8%2828-20%2824%2925%2911%2832%297%2827-19%2822%2923%2912%2833%2914%2815%2935%2Fh4-18%2C26%2C29%2C31-36H%2C3H2%2C1-2H3%2C%28H4%2C22%2C23%2C27%29%28H4%2C24%2C25%2C28%29%2Ft5-%2C6%3F%2C7%2B%2C8%3F%2C9-%2C10-%2C11%2B%2C12-%2C13-%2C14%2B%2C15%2B%2C16-%2C17%3F%2C18%3F%2C21%2B%2Fm0%2Fs1, 122.162300109863, 3.0, 0.0, 34.227180480957, , 4.0, 14.0, 42.0, 0.0, 4.0, 0.0, -5.8503999710083, 11.0, 1.67999994754791, 79.0, -3.51099991798401
-InChI%3D1S%2FC19H21N%2Fc1-20-14-6-11-19-17-9-4-2-7-15%2817%2912-13-16-8-3-5-10-18%2816%2919%2Fh2-5%2C7-11%2C20H%2C6%2C12-14H2%2C1H3, 35.4497985839844, 1.0, 3.0, 0.0390062518417835, , 14.0, 1.0, 22.0, 12.0, 5.0, 12.0, -0.197500005364418, 3.0, 3.44000005722046, 41.0, 8.03600025177002
-InChI%3D1S%2FC27H34N2O7%2Fc1-5-36-27%2833%2921%2812-11-18-9-7-6-8-10-18%2928-17%282%2925%2830%2929-16-20-15-24%2835-4%2923%2834-3%2914-19%2820%2913-22%2829%2926%2831%2932%2Fh6-10%2C14-15%2C17%2C21-22%2C28H%2C5%2C11-13%2C16H2%2C1-4H3%2C%28H%2C31%2C32%29%2Ft17-%2C21-%2C22-%2Fm0%2Fs1, 82.0962982177734, 1.0, 4.0, 2.91931390762329, , 8.0, 2.0, 38.0, 12.0, 13.0, 12.0, -1.70860004425049, 13.0, 3.44000005722046, 70.0, 4.85900020599365
-InChI%3D1S%2FC29H41NO4%2Fc1-25%282%2C3%2926%284%2C32%2920-15-27-10-11-29%2820%2C33-5%2924-28%2827%2912-13-30%2816-17-6-7-17%2921%2827%2914-18-8-9-19%2831%2923%2834-24%2922%2818%2928%2Fh8-9%2C17%2C20-21%2C24%2C31-32H%2C6-7%2C10-16H2%2C1-5H3%2Ft20-%2C21-%2C24-%2C26%2B%2C27%3F%2C28%2B%2C29%3F%2Fm1%2Fs1, 105.786796569824, 0.0, 4.0, 0.123622559010983, , 8.0, 2.0, 40.0, 6.0, 7.0, 6.0, 0.351599991321564, 5.0, 4.09999990463257, 75.0, 3.87100005149841
-InChI%3D1S%2FC9H13NO%2Fc1-7%2810%299%2811%298-5-3-2-4-6-8%2Fh2-7%2C9%2C11H%2C10H2%2C1H3%2Ft7-%2C9-%2Fm1%2Fs1, 19.4811992645264, 0.0, 3.0, 1.58684408664703, , 6.0, 2.0, 11.0, 6.0, 5.0, 6.0, -1.25969994068146, 2.0, 2.23000001907349, 24.0, 2.13000011444092
-InChI%3D1S%2FC16H16N4O8S%2Fc1-26-19-9%288-3-2-4-27-8%2912%2821%2918-10-13%2822%2920-11%2815%2823%2924%297%285-28-16%2817%2925%296-29-14%2810%2920%2Fh2-4%2C10%2C14H%2C5-6H2%2C1H3%2C%28H2%2C17%2C25%29%28H%2C18%2C21%29%28H%2C23%2C24%29%2Fb19-9-%2Ft10%3F%2C14-%2Fm1%2Fs1, 80.6473007202148, 0.0, 2.0, 0.147609636187553, , 11.0, 4.0, 31.0, 5.0, 7.0, 5.0, -0.384200006723404, 8.0, 1.78999996185303, 45.0, 0.428000003099442
-InChI%3D1S%2FC17H26ClN%2Fc1-13%282%2912-16%2819%283%294%2917%2810-5-11-17%2914-6-8-15%2818%299-7-14%2Fh6-9%2C13%2C16H%2C5%2C10-12H2%2C1-4H3, 57.2873992919922, 1.0, 4.0, 1.45733189582825, , 6.0, 0.0, 20.0, 6.0, 8.0, 6.0, 1.207200050354, 5.0, 3.10999989509583, 45.0, 5.60799980163574
-InChI%3D1S%2FC8H11N3O3S%2Fc9-5-1-2-11%288%2813%2910-5%296-4-15-7%283-12%2914-6%2Fh1-2%2C6-7%2C12H%2C3-4H2%2C%28H2%2C9%2C10%2C13%29%2Ft6-%2C7%2B%2Fm1%2Fs1, 54.5671005249023, 0.0, 0.0, 0.0110040102154016, , 3.0, 4.0, 16.0, 0.0, 1.0, 0.0, 0.104900002479553, 2.0, 1.57000005245209, 30.0, -0.832000017166138
-InChI%3D1S%2FC14H15N7.2C4H7NO3%2Fc15-13%2816%299-1-5-11%286-2-9%2919-21-20-12-7-3-10%284-8-12%2914%2817%2918%3B2%2A1-3%286%295-2-4%287%298%2Fh1-8H%2C%28H3%2C15%2C16%29%28H3%2C17%2C18%29%28H%2C19%2C20%29%3B2%2A2H2%2C1H3%2C%28H%2C5%2C6%29%28H%2C7%2C8%29, 75.9756011962891, , 2.0, 4.28614187240601, , 21.0, 9.0, 36.0, 12.0, 8.0, 12.0, -2.07030010223389, 9.0, 2.23000001907349, 66.0, 
-InChI%3D1S%2FC28H38O3%2Fc1-26-11-14-28%2815-12-26%2C16-13-26%2925%2830%2931-24-8-7-23-22-5-3-18-17-19%2829%294-6-20%2818%2921%2822%299-10-27%2823%2C24%292%2Fh11%2C14%2C17%2C20-24H%2C3-10%2C12-13%2C15-16H2%2C1-2H3%2Ft20%3F%2C21-%2C22%3F%2C23%2B%2C24%2B%2C26%3F%2C27%3F%2C28%3F%2Fm1%2Fs1, 120.455101013184, 1.0, 0.0, 0.748917162418365, , 4.0, 0.0, 36.0, 0.0, 3.0, 0.0, 0.865400016307831, 3.0, 4.21000003814697, 69.0, 6.75600004196167
-InChI%3D1S%2FC19H17N3O4S2%2Fc23-14%289-13-5-4-8-27-13%2920-15-17%2824%2922-16%2819%2825%2926%2912%2811-28-18%2815%2922%2910-21-6-2-1-3-7-21%2Fh1-8%2C15%2C18H%2C9-11H2%2C%28H-%2C20%2C23%2C25%2C26%29%2Ft15%3F%2C18-%2Fm1%2Fs1, 65.3464965820312, 0.0, 2.0, 4.1542592048645, , 8.0, 2.0, 31.0, 11.0, 4.0, 5.0, -2.03819990158081, 6.0, 2.55999994277954, 46.0, 1.03100001811981
-InChI%3D1S%2FC8H11Cl3O6%2Fc9-8%2810%2C11%297-16-5-3%2814%294%282%2813%291-12%2915-6%285%2917-7%2Fh2-7%2C12-14H%2C1H2%2Ft2-%2C3%2B%2C4%3F%2C5%3F%2C6-%2C7%2B%2Fm1%2Fs1, 58.1488990783691, 0.0, 2.0, 0.00649636005982757, , 0.0, 3.0, 18.0, 0.0, 4.0, 0.0, -0.0806000009179115, 3.0, 1.35000002384186, 28.0, -0.145999997854233
-InChI%3D1S%2FC20H24N2O2S%2Fc1-3-22%284-2%2912-11-21-16-10-9-14%2813-23%2920-18%2816%2919%2824%2915-7-5-6-8-17%2815%2925-20%2Fh5-10%2C21%2C23H%2C3-4%2C11-13H2%2C1-2H3, 56.0196990966797, 0.0, 2.0, 0.0398002490401268, , 15.0, 2.0, 27.0, 12.0, 8.0, 12.0, 0.199499994516373, 7.0, 3.10999989509583, 49.0, 3.08400011062622
-InChI%3D1S%2FC33H47NO13%2Fc1-18-10-8-6-4-3-5-7-9-11-21%2845-32-30%2839%2928%2834%2929%2838%2919%282%2944-32%2915-25-27%2831%2840%2941%2922%2836%2917-33%2842%2C47-25%2916-20%2835%2914-24-23%2846-24%2912-13-26%2837%2943-18%2Fh3-9%2C11-13%2C18-25%2C27-30%2C32%2C35-36%2C38-39%2C42H%2C10%2C14-17%2C34H2%2C1-2H3%2C%28H%2C40%2C41%29%2Fb4-3%2B%2C7-5%2B%2C8-6%2B%2C11-9%2B%2C13-12%2B%2Ft18-%2C19-%2C20%2B%2C21%2B%2C22%2B%2C23-%2C24%3F%2C25%3F%2C27-%2C28%2B%2C29-%2C30%2B%2C32%3F%2C33-%2Fm1%2Fs1, 162.922607421875, 2.0, 0.0, 9.65407085418701, , 8.0, 7.0, 50.0, 0.0, 2.0, 0.0, -3.10710000991821, 3.0, 3.54999995231628, 94.0, 1.08200001716614
-InChI%3D1S%2FC11H12ClNO3S%2Fc1-13-10%2814%296-7-17%2815%2C16%2911%2813%298-2-4-9%2812%295-3-8%2Fh2-5%2C11H%2C6-7H2%2C1H3, 39.834300994873, 0.0, 0.0, 0.00121103995479643, , 6.0, 0.0, 18.0, 6.0, 0.0, 6.0, -0.0348000004887581, 1.0, 2.00999999046326, 29.0, 1.27199995517731
-InChI%3D1S%2FC9H14N2O3%2Fc1-4-9%285-2%296%2812%2910-8%2814%2911%283%297%289%2913%2Fh4-5H2%2C1-3H3%2C%28H%2C10%2C12%2C14%29, 49.6786994934082, 0.0, 2.0, 0.386137962341309, , 8.0, 1.0, 14.0, 0.0, 2.0, 0.0, -0.621399998664856, 2.0, 1.89999997615814, 28.0, 0.910000026226044
-InChI%3D1S%2FC11H12N4O2S%2Fc1-8-6-7-13-11%2814-8%2915-18%2816%2C17%2910-4-2-9%2812%293-5-10%2Fh2-7H%2C12H2%2C1H3%2C%28H%2C13%2C14%2C15%29, 21.0962009429932, 0.0, 0.0, 1.55475962162018, , 17.0, 2.0, 19.0, 12.0, 4.0, 12.0, -1.24689996242523, 3.0, 1.89999997615814, 30.0, 1.23699998855591
-InChI%3D1S%2FC10H21N%2Fc1-9%2811-2%298-10-6-4-3-5-7-10%2Fh9-11H%2C3-8H2%2C1-2H3, 43.1862983703613, 0.0, 3.0, 0.519120275974274, , 0.0, 1.0, 11.0, 0.0, 5.0, 0.0, -0.720499992370605, 3.0, 2.45000004768372, 32.0, 3.5090000629425
-InChI%3D1S%2FC22H31NO3%2Fc1-3-23%284-2%2917-11-12-18-26-21%2824%2922%2825%2C19-13-7-5-8-14-19%2920-15-9-6-10-16-20%2Fh5%2C7-8%2C13-14%2C20%2C25H%2C3-4%2C6%2C9-10%2C15-18H2%2C1-2H3, 72.4673004150391, 1.0, 4.0, 0.0265689995139837, , 6.0, 1.0, 27.0, 6.0, 14.0, 6.0, -0.163000002503395, 8.0, 3.44000005722046, 57.0, 5.37400007247925
-InChI%3D1S%2FC8H9NO%2Fc1-7%2810%299-8-5-3-2-4-6-8%2Fh2-6H%2C1H3%2C%28H%2C9%2C10%29, 13.9007997512817, 0.0, 2.0, 0.00514088990166783, , 9.0, 1.0, 10.0, 6.0, 4.0, 6.0, -0.0716999992728233, 1.0, 2.11999988555908, 19.0, 2.83999991416931
-InChI%3D1S%2FC21H27NO%2Fc1-5-20%2823%2921%2816-17%282%2922%283%294%2C18-12-8-6-9-13-18%2919-14-10-7-11-15-19%2Fh6-15%2C17H%2C5%2C16H2%2C1-4H3, 46.8678016662598, 1.0, 7.0, 0.0709689632058144, , 6.0, 0.0, 24.0, 12.0, 11.0, 12.0, -0.266400009393692, 7.0, 3.54999995231628, 50.0, 7.24700021743774
-InChI%3D1S%2FC30H32N2O2%2Fc1-2-34-28%2833%2929%2825-12-6-3-7-13-25%2918-21-32%2822-19-29%2923-20-30%2824-31%2C26-14-8-4-9-15-26%2927-16-10-5-11-17-27%2Fh3-17H%2C2%2C18-23H2%2C1H3, 58.1118011474609, 1.0, 4.0, 0.138012245297432, , 6.0, 0.0, 37.0, 18.0, 5.0, 18.0, 0.371499985456467, 9.0, 4.32000017166138, 66.0, 10.1479997634888
-InChI%3D1S%2FC22H20N4O8S2%2Fc23-18%2827%2913-6-8-25%289-7-13%2910-14-11-35-21-15%2820%2829%2926%2821%2916%2814%2922%2830%2931%2924-19%2828%2917%2836%2832%2C33%2934%2912-4-2-1-3-5-12%2Fh1-9%2C15%2C17%2C21H%2C10-11H2%2C%28H4-%2C23%2C24%2C27%2C28%2C30%2C31%2C32%2C33%2C34%29%2Ft15-%2C17%3F%2C21-%2Fm1%2Fs1, 75.7223968505859, 1.0, 2.0, 11.8597583770752, , 8.0, 5.0, 39.0, 12.0, 8.0, 6.0, -3.44379997253418, 8.0, 2.33999991416931, 57.0, 0.865000009536743
-InChI%3D1S%2FC19H17Cl2N3O5S%2Fc1-7-10%2812%2823-29-7%2911-8%2820%295-4-6-9%2811%2921%2915%2825%2922-13-16%2826%2924-14%2818%2827%2928%2919%282%2C3%2930-17%2813%2924%2Fh4-6%2C13-14%2C17H%2C1-3H3%2C%28H%2C22%2C25%29%28H%2C27%2C28%29%2Ft13%3F%2C14-%2C17%2B%2Fm0%2Fs1, 73.1045989990234, 0.0, 0.0, 3.31422019004822, , 6.0, 3.0, 33.0, 11.0, 3.0, 6.0, 1.82050001621246, 4.0, 2.33999991416931, 47.0, 2.64199995994568
-InChI%3D1S%2FC21H40O7S.Na%2Fc1-5-9-11-13-18%288-4%2915-27-20%2822%2914-19%2829%2824%2C25%2926%2921%2823%2928-16-17%287-3%2912-10-6-2%3B%2Fh17-19H%2C5-16H2%2C1-4H3%2C%28H%2C24%2C25%2C26%29%3B%2Fq%3B%2B1%2Fp-1, , 2.0, 8.0, , , 3.0, 0.0, 28.0, 0.0, 29.0, 0.0, , 19.0, 2.77999997138977, 69.0, 5.60900020599365
-InChI%3D1S%2FC21H27ClN2O2%2Fc22-20-8-6-19%287-9-20%2921%2818-4-2-1-3-5-18%2924-12-10-23%2811-13-24%2914-16-26-17-15-25%2Fh1-9%2C21%2C25H%2C10-17H2, 56.6907997131348, 0.0, 2.0, 0.0394816882908344, , 6.0, 1.0, 28.0, 12.0, 6.0, 12.0, 0.198699995875359, 8.0, 3.22000002861023, 53.0, 4.1230001449585
-InChI%3D1S%2FC20H22N8O5%2Fc1-28%289-11-8-23-17-15%2824-11%2916%2821%2926-20%2822%2927-17%2912-4-2-10%283-5-12%2918%2831%2925-13%2819%2832%2933%296-7-14%2829%2930%2Fh2-5%2C8%2C13H%2C6-7%2C9H2%2C1H3%2C%28H%2C25%2C31%29%28H%2C29%2C30%29%28H%2C32%2C33%29%28H4%2C21%2C22%2C23%2C26%2C27%29%2Ft13-%2Fm0%2Fs1, 64.5699005126953, 2.0, 5.0, 6.17423105239868, , 10.0, 6.0, 35.0, 12.0, 12.0, 12.0, -2.48480010032654, 10.0, 2.23000001907349, 57.0, -1.91499996185303
-InChI%3D1S%2FC24H25NO4%2Fc1-17-21%2826%2919-11-8-12-20%2823%2819%2929-22%2817%2918-9-4-2-5-10-18%2924%2827%2928-16-15-25-13-6-3-7-14-25%2Fh2%2C4-5%2C8-12H%2C3%2C6-7%2C13-16H2%2C1H3, 56.4903984069824, 1.0, 2.0, 1.14276099205017, , 12.0, 0.0, 32.0, 12.0, 5.0, 12.0, -1.06900000572205, 6.0, 3.54999995231628, 56.0, 5.19799995422363
-InChI%3D1S%2FC9H13N2O2.BrH%2Fc1-10%282%299%2812%2913-8-5-4-6-11%283%297-8%3B%2Fh4-7H%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, , 0.0, 0.0, , , 4.0, 1.0, 13.0, 6.0, 6.0, 0.0, , 3.0, 1.89999997615814, 28.0, 1.77699995040894
-InChI%3D1S%2FC13H15NO2%2Fc1-2-13%2810-6-4-3-5-7-10%299-8-11%2815%2914-12%2813%2916%2Fh3-7H%2C2%2C8-9H2%2C1H3%2C%28H%2C14%2C15%2C16%29, 35.6035003662109, 0.0, 2.0, 0.667488992214203, , 6.0, 1.0, 17.0, 6.0, 2.0, 6.0, -0.816999971866608, 2.0, 2.55999994277954, 31.0, 4.01599979400635
-InChI%3D1S%2FC20H41N5O7%2Fc1-8%2821%2912-5-4-9%2822%2918%2830-12%2931-15-10%2823%296-11%2824%2916%2813%2815%2926%2932-19-14%2827%2917%2825-3%2920%282%2C28%297-29-19%2Fh8-19%2C25-28H%2C4-7%2C21-24H2%2C1-3H3%2Ft8%3F%2C9-%2C10%2B%2C11-%2C12%2B%2C13%2B%2C14-%2C15-%2C16%3F%2C17-%2C18%3F%2C19-%2C20%3F%2Fm1%2Fs1, 107.770500183105, 2.0, 0.0, 38.4536399841309, , 0.0, 8.0, 34.0, 0.0, 2.0, 0.0, -6.20109987258911, 6.0, 2.33999991416931, 73.0, -3.26999998092651
-InChI%3D1S%2FC22H30O%2Fc1-4-21-14-15%283%2920-17-9-7-6-8-16%2817%2910-11-18%2820%2919%2821%2912-13-22%2821%2C23%295-2%2Fh2%2C8%2C17-20%2C23H%2C3-4%2C6-7%2C9-14H2%2C1H3%2Ft17-%2C18%3F%2C19-%2C20%2B%2C21%3F%2C22-%2Fm0%2Fs1, 91.9936981201172, 1.0, 2.0, 3.04118728637695, , 2.0, 1.0, 26.0, 0.0, 2.0, 0.0, 1.7438999414444, 1.0, 3.76999998092651, 53.0, 5.49200010299683
-InChI%3D1S%2FC3H6N2O2%2Fc4-2-1-7-5-3%282%296%2Fh2H%2C1%2C4H2%2C%28H%2C5%2C6%29, 22.3526000976562, 0.0, 0.0, 1.27938723564148, , 4.0, 2.0, 7.0, 0.0, 0.0, 0.0, -1.1311000585556, 0.0, 1.35000002384186, 13.0, -0.0240000002086163
-InChI%3D1S%2FC11H12N2S%2Fc1-2-4-9%285-3-1%2910-8-13-6-7-14-11%2813%2912-10%2Fh1-5%2C10H%2C6-8H2%2Ft10-%2Fm1%2Fs1, 33.9342994689941, 0.0, 0.0, 0.254722088575363, , 6.0, 0.0, 16.0, 6.0, 0.0, 6.0, 0.504700005054474, 1.0, 2.33999991416931, 26.0, 3.90499997138977
-InChI%3D1S%2FC8H16O2%2Fc1-3-5-7%286-4-2%298%289%2910%2Fh7H%2C3-6H2%2C1-2H3%2C%28H%2C9%2C10%29, 37.3651008605957, 0.0, 7.0, 0.120200887322426, , 3.0, 1.0, 9.0, 0.0, 10.0, 0.0, -0.346700012683868, 5.0, 2.11999988555908, 26.0, 2.74200010299683
-InChI%3D1S%2FC13H8Cl2O4S%2Fc14-11-7%2813%2818%299-2-1-5-20-9%293-4-8%2812%2811%2915%2919-6-10%2816%2917%2Fh1-5H%2C6H2%2C%28H%2C16%2C17%29, 37.7710990905762, 0.0, 2.0, 1.48766803741455, , 14.0, 1.0, 21.0, 11.0, 5.0, 11.0, 1.21969997882843, 5.0, 2.11999988555908, 28.0, 2.86400008201599
-InChI%3D1S%2FC15H11I4NO4%2Fc16-8-4-7%285-9%2817%2913%288%2921%2924-14-10%2818%291-6%282-11%2814%2919%293-12%2820%2915%2822%2923%2Fh1-2%2C4-5%2C12%2C21H%2C3%2C20H2%2C%28H%2C22%2C23%29, 79.5980987548828, 0.0, 3.0, 15.853138923645, , 14.0, 3.0, 25.0, 12.0, 6.0, 12.0, 3.98160004615784, 5.0, 2.11999988555908, 35.0, 2.84699988365173
-InChI%3D1S%2FC11H14N2S%2Fc1-13-8-3-7-12-11%2813%296-5-10-4-2-9-14-10%2Fh2%2C4-6%2C9H%2C3%2C7-8H2%2C1H3, 44.5815010070801, 0.0, 2.0, 0.00781456008553505, , 10.0, 0.0, 15.0, 5.0, 2.0, 5.0, 0.0883999988436699, 2.0, 2.33999991416931, 28.0, 3.05200004577637
-InChI%3D1S%2FC24H34O5%2Fc1-13%284-7-21%2828%2929%2916-5-6-17-22-18%2812-20%2827%2924%2816%2C17%293%2923%282%299-8-15%2825%2910-14%2823%2911-19%2822%2926%2Fh13-14%2C16-18%2C22H%2C4-12H2%2C1-3H3%2C%28H%2C28%2C29%29%2Ft13-%2C14%2B%2C16-%2C17%3F%2C18%2B%2C22%3F%2C23%2B%2C24-%2Fm1%2Fs1, 106.14769744873, 0.0, 5.0, 0.00923520978540182, , 3.0, 1.0, 32.0, 0.0, 7.0, 0.0, 0.0961000025272369, 4.0, 3.54999995231628, 63.0, 2.66400003433228
-InChI%3D1S%2FC9H17NO5%2Fc1-9%282%2C5-11%297%2814%298%2815%2910-4-3-6%2812%2913%2Fh7%2C11%2C14H%2C3-5H2%2C1-2H3%2C%28H%2C10%2C15%29%28H%2C12%2C13%29%2Ft7-%2Fm0%2Fs1, 51.5592002868652, 0.0, 4.0, 0.423931211233139, , 3.0, 4.0, 14.0, 0.0, 15.0, 0.0, -0.651099979877472, 6.0, 1.78999996185303, 32.0, -0.925000011920929
-InChI%3D1S%2FC16H12O3%2Fc1-19-11-8-6-10%287-9-11%2914-15%2817%2912-4-2-3-5-13%2812%2916%2814%2918%2Fh2-9%2C14H%2C1H3, 21.6294002532959, 0.0, 0.0, 0.524320781230927, , 10.0, 0.0, 21.0, 12.0, 2.0, 12.0, -0.72409999370575, 2.0, 2.89000010490417, 31.0, 3.125
-InChI%3D1S%2FC21H27N%2Fc1-16%2815-22%282%293%2914-21-19-10-6-4-8-17%2819%2912-13-18-9-5-7-11-20%2818%2921%2Fh4-11%2C16%2C21H%2C12-15H2%2C1-3H3, 45.9147987365723, 1.0, 3.0, 0.175644814968109, , 6.0, 0.0, 24.0, 12.0, 7.0, 12.0, 0.419099986553192, 4.0, 3.66000008583069, 49.0, 8.9069995880127
-InChI%3D1S%2FC22H27ClN2O%2Fc1-17%282%2924-14-12-21%2813-15-24%2925%2820-10-8-19%2823%299-11-20%2922%2826%2916-18-6-4-3-5-7-18%2Fh3-11%2C17%2C21H%2C12-16H2%2C1-2H3, 54.345100402832, 1.0, 2.0, 0.154842242598534, , 9.0, 0.0, 28.0, 12.0, 4.0, 12.0, -0.393500000238419, 6.0, 3.44000005722046, 53.0, 6.7189998626709
-InChI%3D1S%2FC29H33FO6%2Fc1-17-13-22-21-10-9-19-14-20%2832%2911-12-26%2819%2C2%2928%2821%2C30%2923%2833%2915-27%2822%2C3%2929%2817%2C24%2834%2916-31%2936-25%2835%2918-7-5-4-6-8-18%2Fh4-8%2C11-12%2C14%2C17%2C21-23%2C31%2C33H%2C9-10%2C13%2C15-16H2%2C1-3H3%2Ft17-%2C21-%2C22%3F%2C23-%2C26-%2C27-%2C28%3F%2C29-%2Fm0%2Fs1, 105.022399902344, 0.0, 2.0, 0.330395042896271, , 9.0, 2.0, 40.0, 6.0, 4.0, 6.0, -0.57480001449585, 5.0, 3.88000011444092, 69.0, 4.19500017166138
-InChI%3D1S%2FC12H13ClN4%2Fc1-2-9-10%2811%2814%2917-12%2815%2916-9%297-3-5-8%2813%296-4-7%2Fh3-6H%2C2H2%2C1H3%2C%28H4%2C14%2C15%2C16%2C17%29, 39.2258987426758, 0.0, 2.0, 0.876283228397369, , 6.0, 4.0, 18.0, 6.0, 2.0, 6.0, -0.936100006103516, 2.0, 2.23000001907349, 34.0, 2.88899993896484
-InChI%3D1S%2FC11H12N2O.2C2H3Cl3O2%2Fc1-9-8-11%2814%2913%2812%289%292%2910-6-4-3-5-7-10%3B2%2A3-2%284%2C5%291%286%297%2Fh3-8H%2C1-2H3%3B2%2A1%2C6-7H, 88.3733978271484, , 2.0, 1.7318559885025, , 10.0, 4.0, 27.0, 6.0, 7.0, 6.0, 1.31599998474121, 3.0, 1.67999994754791, 48.0, 
-InChI%3D1S%2FC18H24O2%2Fc1-18-9-8-14-13-5-3-12%2819%2910-11%2813%292-4-15%2814%2916%2818%296-7-17%2818%2920%2Fh3%2C5%2C10%2C14-17%2C19-20H%2C2%2C4%2C6-9H2%2C1H3%2Ft14-%2C15%3F%2C16%2B%2C17%2B%2C18%3F%2Fm1%2Fs1, 52.5960998535156, 0.0, 0.0, 0.220806002616882, , 7.0, 2.0, 23.0, 6.0, 0.0, 6.0, -0.469900012016296, 0.0, 3.22000002861023, 44.0, 4.64599990844727
-InChI%3D1S%2FC16H12ClNO3%2Fc1-9%2816%2819%2920%2911-4-7-14-13%288-11%2918-15%2821-14%2910-2-5-12%2817%296-3-10%2Fh2-9H%2C1H3%2C%28H%2C19%2C20%29, 23.8080997467041, 0.0, 3.0, 0.416283041238785, , 15.0, 2.0, 23.0, 16.0, 5.0, 15.0, 0.64520001411438, 3.0, 2.67000007629395, 33.0, 3.89100003242493
-InChI%3D1S%2FC26H28N2%2Fc1-4-11-23%2812-5-1%2913-10-18-27-19-21-28%2822-20-27%2926%2824-14-6-2-7-15-24%2925-16-8-3-9-17-25%2Fh1-17%2C26H%2C18-22H2, 43.0735015869141, 1.0, 3.0, 0.251803249120712, , 8.0, 0.0, 31.0, 18.0, 3.0, 18.0, 0.501800000667572, 6.0, 4.09999990463257, 56.0, 9.86600017547607
-InChI%3D1S%2FC23H16O11%2Fc24-11%289-31-14-3-1-5-16-20%2814%2912%2825%297-18%2833-16%2922%2827%2928%2910-32-15-4-2-6-17-21%2815%2913%2826%298-19%2834-17%2923%2829%2930%2Fh1-8%2C11%2C24H%2C9-10H2%2C%28H%2C27%2C28%29%28H%2C29%2C30%29, 62.7378997802734, 0.0, 3.0, 5.54932260513306, , 10.0, 3.0, 37.0, 12.0, 6.0, 12.0, -2.35570001602173, 8.0, 2.77999997138977, 54.0, 0.148000001907349
-InChI%3D1S%2FC5H11NO2%2Fc1-5%282%293-4-8-6-7%2Fh5H%2C3-4H2%2C1-2H3, 28.7031002044678, 0.0, 4.0, 3.07265830039978, , 3.0, 0.0, 7.0, 0.0, 8.0, 0.0, -1.7529000043869, 4.0, 1.67999994754791, 19.0, 2.71000003814697
-InChI%3D1S%2FC21H26N2OS2%2Fc1-22-13-6-5-7-16%2822%2912-14-23-18-8-3-4-9-20%2818%2925-21-11-10-17%2826%282%2924%2915-19%2821%2923%2Fh3-4%2C8-11%2C15-16H%2C5-7%2C12-14H2%2C1-2H3, 58.6167984008789, 0.0, 2.0, 0.772289454936981, , 15.0, 0.0, 29.0, 12.0, 2.0, 12.0, -0.878799974918365, 4.0, 3.22000002861023, 52.0, 3.59999990463257
-InChI%3D1S%2FC12H21N%2Fc1-8%2813%2912-5-9-2-10%286-12%294-11%283-9%297-12%2Fh8-11H%2C2-7%2C13H2%2C1H3, 53.407600402832, 0.0, 2.0, 0.78552770614624, , 0.0, 1.0, 15.0, 0.0, 3.0, 0.0, -0.886300027370453, 1.0, 2.67000007629395, 34.0, 3.57800006866455
-InChI%3D1S%2FC19H30O3%2Fc1-17-11-22-16%2820%2910-12%2817%294-5-13-14%2817%296-8-18%282%2915%2813%297-9-19%2818%2C3%2921%2Fh12-15%2C21H%2C4-11H2%2C1-3H3%2Ft12-%2C13%3F%2C14-%2C15-%2C17%3F%2C18-%2C19-%2Fm0%2Fs1, 82.2742004394531, 0.0, 0.0, 0.728632986545563, , 3.0, 1.0, 25.0, 0.0, 0.0, 0.0, 0.853600025177002, 0.0, 3.22000002861023, 52.0, 4.15000009536743
-InChI%3D1S%2FC10H13NO2%2Fc1-2-3-4-8-5-6-9%2810%2812%2913%2911-7-8%2Fh5-7H%2C2-4H2%2C1H3%2C%28H%2C12%2C13%29, 23.8066005706787, 0.0, 4.0, 0.492944419384003, , 9.0, 1.0, 13.0, 6.0, 4.0, 6.0, -0.702099978923798, 4.0, 2.23000001907349, 26.0, 2.84400010108948
-InChI%3D1S%2FC6H8O7%2Fc7-3%288%291-6%2813%2C5%2811%2912%292-4%289%2910%2Fh13H%2C1-2H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29%28H%2C11%2C12%29, 35.6239013671875, 0.0, 5.0, 1.94602501392365, , 3.0, 4.0, 12.0, 0.0, 13.0, 0.0, -1.39499998092651, 5.0, 1.35000002384186, 21.0, -2.24699997901917
-InChI%3D1S%2FC9H10N2O3%2Fc10-7-3-1-6%282-4-7%299%2814%2911-5-8%2812%2913%2Fh1-4H%2C5%2C10H2%2C%28H%2C11%2C14%29%28H%2C12%2C13%29, 23.4449005126953, 0.0, 2.0, 3.33537173271179, , 10.0, 3.0, 14.0, 6.0, 7.0, 6.0, -1.82630002498627, 4.0, 1.89999997615814, 24.0, -1.99100005626678
-InChI%3D1S%2FC19H26NO4.BrH%2Fc1-3-20%282%2915-9-13%2810-16%2820%2918-17%2815%2924-18%2923-19%2822%2914%2811-21%2912-7-5-4-6-8-12%3B%2Fh4-8%2C13-18%2C21H%2C3%2C9-11H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft13-%2C14-%2C15-%2C16%2B%2C17%3F%2C18%2B%2C20%3F%3B%2Fm1.%2Fs1, , 0.0, 3.0, , , 6.0, 1.0, 27.0, 6.0, 6.0, 6.0, , 6.0, 2.89000010490417, 51.0, 3.57800006866455
-InChI%3D1S%2FC13H16N2O2%2Fc1-2-3-9-11-12%2816%2914-15%2813%2811%2917%2910-7-5-4-6-8-10%2Fh4-8%2C11H%2C2-3%2C9H2%2C1H3%2C%28H%2C14%2C16%29, 35.7131996154785, 0.0, 4.0, 1.27735209465027, , 12.0, 1.0, 18.0, 6.0, 4.0, 6.0, -1.13020002841949, 4.0, 2.45000004768372, 33.0, 4.11800003051758
-InChI%3D1S%2FC24H36O5%2Fc1-5-15%283%2924%2827%2929-21-11-14%282%2910-17-7-6-16%284%2920%2823%2817%2921%299-8-19-12-18%2825%2913-22%2826%2928-19%2Fh6-7%2C10%2C14-16%2C18-21%2C23%2C25H%2C5%2C8-9%2C11-13H2%2C1-4H3%2Ft14-%2C15-%2C16-%2C18%2B%2C19%2B%2C20-%2C21%3F%2C23-%2Fm0%2Fs1, 105.645500183105, 0.0, 4.0, 0.00984064023941755, , 4.0, 1.0, 31.0, 0.0, 7.0, 0.0, -0.099200002849102, 7.0, 3.54999995231628, 65.0, 4.57399988174438
-InChI%3D1S%2FC53H72N2O12.2C6H6O3S%2Fc1-54%2822-18-38-32-48%2862-7%2950%2864-9%2934-40%2838%2942%2854%2928-36-14-16-44%2858-3%2946%2830-36%2960-5%2924-20-52%2856%2966-26-12-11-13-27-67-53%2857%2921-25-55%282%2923-19-39-33-49%2863-8%2951%2865-10%2935-41%2839%2943%2855%2929-37-15-17-45%2859-4%2947%2831-37%2961-6%3B2%2A7-10%288%2C9%296-4-2-1-3-5-6%2Fh14-17%2C30-35%2C42-43H%2C11-13%2C18-29H2%2C1-10H3%3B2%2A1-5H%2C%28H%2C7%2C8%2C9%29%2Fq%2B2%3B%3B%2Fp-2, 171.322998046875, 2.0, 5.0, 34.9044647216797, , 10.0, 0.0, 92.0, 36.0, 15.0, 36.0, -5.90799999237061, 28.0, 6.19000005722046, 169.0, 8.79399967193604
-InChI%3D1S%2FC17H19N3%2Fc1-19-9-10-20-16%2812-19%2915-7-3-2-5-13%2815%2911-14-6-4-8-18-17%2814%2920%2Fh2-8%2C16H%2C9-12H2%2C1H3, 33.6282005310059, 0.0, 0.0, 0.324102491140366, , 7.0, 0.0, 23.0, 12.0, 0.0, 12.0, 0.5692999958992, 0.0, 3.0, 39.0, 3.61299991607666
-InChI%3D1S%2FC19H23NO%2Fc1-20-14-12-18%2813-15-20%2921-19%2816-8-4-2-5-9-16%2917-10-6-3-7-11-17%2Fh2-11%2C18-19H%2C12-15H2%2C1H3, 32.2571983337402, 1.0, 0.0, 0.479140847921371, , 6.0, 0.0, 23.0, 12.0, 2.0, 12.0, -0.692200005054474, 4.0, 3.32999992370605, 44.0, 6.26900005340576
-InChI%3D1S%2FC17H14F3N3O2S%2Fc1-11-2-4-12%285-3-11%2915-10-16%2817%2818%2C19%2920%2922-23%2815%2913-6-8-14%289-7-13%2926%2821%2C24%2925%2Fh2-10H%2C1H3%2C%28H2%2C21%2C24%2C25%29, 25.9762992858887, 1.0, 0.0, 0.667162239551544, , 21.0, 1.0, 28.0, 17.0, 3.0, 17.0, 0.816799998283386, 4.0, 2.33999991416931, 40.0, 5.41699981689453
-InChI%3D1S%2FC5H9N3%2Fc6-3-1-5-2-4-7-8-5%2Fh2%2C4H%2C1%2C3%2C6H2%2C%28H%2C7%2C8%29, 11.8458995819092, 0.0, 2.0, 1.05329167842865, , 2.0, 3.0, 8.0, 5.0, 3.0, 0.0, -1.02629995346069, 2.0, 1.67999994754791, 16.0, 0.123999997973442
-InChI%3D1S%2FC15H18I3NO3.Na%2Fc1-3-5-12%2820%2919-14-11%2817%297-10%2816%299%2813%2814%2918%296-8%284-2%2915%2821%2922%3B%2Fh7-8H%2C3-6H2%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C21%2C22%29%3B%2Fq%3B%2B1%2Fp-1, , 1.0, 4.0, , , 9.0, 1.0, 22.0, 6.0, 7.0, 6.0, , 7.0, 2.23000001907349, 40.0, 5.80200004577637
-InChI%3D1S%2FC6H13NO5%2Fc7-3-5%2810%294%289%292%281-8%2912-6%283%2911%2Fh2-6%2C8-11H%2C1%2C7H2%2Ft2%3F%2C3-%2C4-%2C5-%2C6-%2Fm1%2Fs1, 37.5808982849121, 0.0, 0.0, 7.85680913925171, , 0.0, 5.0, 12.0, 0.0, 2.0, 0.0, -2.80299997329712, 1.0, 1.46000003814697, 25.0, -1.76400005817413
-InChI%3D1S%2FC14H20N2O2%2Fc1-14%282%2C3%2916-9-12%2817%2910-18-13-7-5-4-6-11%2813%298-15%2Fh4-7%2C12%2C16-17H%2C9-10H2%2C1-3H3, 46.0051002502441, 0.0, 3.0, 3.96899995394051e-05, , 9.0, 2.0, 18.0, 6.0, 10.0, 6.0, 0.00630000000819564, 6.0, 2.55999994277954, 38.0, 2.15300011634827
-InChI%3D1S%2FC22H43N5O13%2Fc23-2-1-8%2829%2920%2836%2927-7-3-6%2825%2918%2839-22-16%2834%2915%2833%2913%2831%299%284-24%2937-22%2917%2835%2919%287%2940-21-14%2832%2911%2826%2912%2830%2910%285-28%2938-21%2Fh6-19%2C21-22%2C28-35H%2C1-5%2C23-26H2%2C%28H%2C27%2C36%29%2Ft6-%2C7%3F%2C8-%2C9%2B%2C10%2B%2C11-%2C12%2B%2C13%2B%2C14%2B%2C15-%2C16%2B%2C17-%2C18%2B%2C19-%2C21%3F%2C22%3F%2Fm0%2Fs1, 126.074897766113, 2.0, 4.0, 73.6369934082031, , 3.0, 13.0, 42.0, 0.0, 8.0, 0.0, -8.58119964599609, 10.0, 1.89999997615814, 83.0, -6.07800006866455
-InChI%3D1S%2FC12H15N3O2S%2Fc1-3-6-18-8-4-5-9-10%287-8%2914-11%2813-9%2915-12%2816%2917-2%2Fh4-5%2C7H%2C3%2C6H2%2C1-2H3%2C%28H2%2C13%2C14%2C15%2C16%29, 36.8404006958008, 0.0, 3.0, 0.877969026565552, , 8.0, 3.0, 19.0, 10.0, 5.0, 6.0, 0.936999976634979, 5.0, 2.11999988555908, 32.0, 3.3840000629425
-InChI%3D1S%2FC24H20N6O3%2Fc1-2-33-24-25-20-9-5-8-19%2823%2831%2932%2921%2820%2930%2824%2914-15-10-12-16%2813-11-15%2917-6-3-4-7-18%2817%2922-26-28-29-27-22%2Fh3-13H%2C2%2C14H2%2C1H3%2C%28H%2C31%2C32%29%28H%2C26%2C27%2C28%2C29%29, 26.4391002655029, 1.0, 2.0, 0.000268959993263707, , 13.0, 1.0, 37.0, 27.0, 3.0, 21.0, -0.0164000000804663, 7.0, 3.10999989509583, 52.0, 6.73699998855591
-InChI%3D1S%2FC12H17N4OS.ClH%2Fc1-8-11%283-4-17%2918-7-16%288%296-10-5-14-9%282%2915-12%2810%2913%3B%2Fh5%2C7%2C17H%2C3-4%2C6H2%2C1-2H3%2C%28H2%2C13%2C14%2C15%29%3B1H%2Fq%2B1%3B%2Fp-1, , 0.0, 2.0, , , 3.0, 5.0, 19.0, 5.0, 3.0, 0.0, , 4.0, 2.00999999046326, 41.0, 0.907000005245209
-InChI%3D1S%2FC6H14N2O2%2Fc7-4-2-1-3-5%288%296%289%2910%2Fh5H%2C1-4%2C7-8H2%2C%28H%2C9%2C10%29%2Ft5-%2Fm0%2Fs1, 32.4333000183105, 0.0, 6.0, 7.55755090713501, , 3.0, 3.0, 9.0, 0.0, 10.0, 0.0, -2.74909996986389, 5.0, 1.67999994754791, 24.0, -2.94899988174438
-InChI%3D1S%2FC5H11NS2.Na%2Fc1-3-6%284-2%295%287%298%3B%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C8%29%3B%2Fq%3B%2B1%2Fp-1, , 0.0, 2.0, , , 4.0, 0.0, 7.0, 0.0, 8.0, 0.0, , 3.0, 1.57000005245209, 19.0, 1.21700000762939
-InChI%3D1S%2FC17H23NO%2Fc1-18-9-8-17-7-3-2-4-14%2817%2916%2818%2910-12-5-6-13%2819%2911-15%2812%2917%2Fh5-6%2C11%2C14%2C16%2C19H%2C2-4%2C7-10H2%2C1H3%2Ft14-%2C16%3F%2C17%3F%2Fm0%2Fs1, 49.1502990722656, 0.0, 0.0, 0.999000251293182, , 7.0, 1.0, 22.0, 6.0, 0.0, 6.0, -0.999499976634979, 0.0, 3.10999989509583, 42.0, 3.68799996376038
-InChI%3D1S%2FC19H25NO%2Fc1-2-10-20-11-9-19-8-4-3-5-16%2819%2918%2820%2912-14-6-7-15%2821%2913-17%2814%2919%2Fh2%2C6-7%2C13%2C16%2C18%2C21H%2C1%2C3-5%2C8-12H2%2Ft16-%2C18%2B%2C19%3F%2Fm0%2Fs1, 58.3129997253418, 0.0, 3.0, 0.146459296345711, , 7.0, 1.0, 24.0, 6.0, 3.0, 6.0, -0.382699996232986, 2.0, 3.32999992370605, 46.0, 4.30299997329712
-InChI%3D1S%2FC16H19ClN2O%2Fc1-19%282%2911-12-20-16%2815-5-3-4-10-18-15%2913-6-8-14%2817%299-7-13%2Fh3-10%2C16H%2C11-12H2%2C1-2H3, 34.3484001159668, 0.0, 2.0, 0.609648644924164, , 6.0, 0.0, 21.0, 12.0, 7.0, 12.0, 0.780799984931946, 6.0, 2.77999997138977, 39.0, 3.54500007629395
-InChI%3D1S%2FC6H15NO3%2Fc8-4-1-7%282-5-9%293-6-10%2Fh8-10H%2C1-6H2, 38.8650016784668, 0.0, 2.0, 1.68506360054016, , 0.0, 3.0, 9.0, 0.0, 10.0, 0.0, -1.29809999465942, 6.0, 1.67999994754791, 25.0, -2.06399989128113
-InChI%3D1S%2FC22H28O5%2Fc1-12-8-16-15-5-4-13-9-14%2824%296-7-20%2813%2C2%2919%2815%2917%2825%2910-21%2816%2C3%2922%2812%2C27%2918%2826%2911-23%2Fh6-7%2C9%2C12%2C15-16%2C19%2C23%2C27H%2C4-5%2C8%2C10-11H2%2C1-3H3%2Ft12-%2C15%3F%2C16-%2C19%2B%2C20-%2C21-%2C22-%2Fm0%2Fs1, 100.808700561523, 0.0, 2.0, 1.1325216293335, , 6.0, 2.0, 30.0, 0.0, 4.0, 0.0, -1.06420004367828, 2.0, 3.32999992370605, 55.0, 0.904999971389771
-InChI%3D1S%2FC18H20N2O6%2Fc1-5-26-18%2822%2915-11%283%2919-10%282%2914%2817%2821%2925-4%2916%2815%2912-7-6-8-13%289-12%2920%2823%2924%2Fh6-9%2C16%2C19H%2C5H2%2C1-4H3, 66.4213027954102, 0.0, 2.0, 0.161282554268837, , 11.0, 1.0, 27.0, 6.0, 5.0, 6.0, 0.401600003242493, 7.0, 2.55999994277954, 46.0, 4.33300018310547
-InChI%3D1S%2FC19H20N2O3%2Fc22-13-11-21%2812-14-23%2919-20-17%2815-7-3-1-4-8-15%2918%2824-19%2916-9-5-2-6-10-16%2Fh1-10%2C22-23H%2C11-14H2, 28.4951000213623, 0.0, 2.0, 1.03042805194855, , 6.0, 3.0, 26.0, 17.0, 7.0, 12.0, -1.01510000228882, 7.0, 3.0, 44.0, 4.72700023651123
-InChI%3D1S%2FC10H14O3%2Fc1-8-4-2-3-5-10%288%2913-7-9%2812%296-11%2Fh2-5%2C9%2C11-12H%2C6-7H2%2C1H3, 25.0727005004883, 0.0, 3.0, 0.211508005857468, , 7.0, 2.0, 13.0, 6.0, 6.0, 6.0, -0.459899991750717, 4.0, 2.23000001907349, 27.0, 1.2940000295639
-InChI%3D1S%2FC19H24N4O2%2Fc20-18%2821%2914-4-8-16%289-5-14%2924-12-2-1-3-13-25-17-10-6-15%287-11-17%2919%2822%2923%2Fh4-11H%2C1-3%2C12-13H2%2C%28H3%2C20%2C21%29%28H3%2C22%2C23%29, 38.7946014404297, 0.0, 5.0, 4.41924476623535, , 10.0, 4.0, 26.0, 12.0, 7.0, 12.0, -2.10220003128052, 10.0, 2.89000010490417, 49.0, 4.03200006484985
-InChI%3D1S%2FC8H11N7S%2Fc9-7%2810%2914-12-5-1-3-6%284-2-5%2913-15-8%2811%2916%2Fh1-4H%2C%28H4%2C9%2C10%2C14%29%28H3%2C11%2C15%2C16%29, 62.1339988708496, 0.0, 0.0, 0.14508481323719, , 15.0, 5.0, 16.0, 0.0, 5.0, 0.0, 0.380899995565414, 4.0, 1.46000003814697, 27.0, 2.02900004386902
-InChI%3D1S%2FC17H12Br2O3%2Fc1-2-13-15%2810-5-3-4-6-14%2810%2922-13%2916%2820%299-7-11%2818%2917%2821%2912%2819%298-9%2Fh3-8%2C21H%2C2H2%2C1H3, 35.538200378418, 1.0, 2.0, 0.43917128443718, , 9.0, 1.0, 24.0, 16.0, 2.0, 12.0, 0.662699997425079, 3.0, 2.77999997138977, 34.0, 5.02099990844727
-InChI%3D1S%2FC14H16ClN3O4S2%2Fc15-10-5-11-13%286-12%2810%2923%2816%2C19%2920%2924%2821%2C22%2918-14%2817-11%299-4-7-1-2-8%289%293-7%2Fh1-2%2C5-9%2C14%2C17-18H%2C3-4H2%2C%28H2%2C16%2C19%2C20%29, 62.834098815918, 0.0, 0.0, 3.03665471076965, , 15.0, 3.0, 27.0, 6.0, 3.0, 6.0, -1.74259996414185, 2.0, 1.89999997615814, 40.0, 0.801999986171722
-InChI%3D1S%2FC17H25NO4%2Fc1-11%282%2916%2819%2921-14-7-6-13%288-9-18-5%2910-15%2814%2922-17%2820%2912%283%294%2Fh6-7%2C10-12%2C18H%2C8-9H2%2C1-5H3, 60.9173011779785, 0.0, 3.0, 1.52646028995514, , 12.0, 1.0, 22.0, 6.0, 6.0, 6.0, 1.23549997806549, 9.0, 2.77999997138977, 47.0, 3.1029999256134
-InChI%3D1S%2FC10H21N3O%2Fc1-4-12%285-2%2910%2814%2913-8-6-11%283%297-9-13%2Fh4-9H2%2C1-3H3, 57.3670997619629, 0.0, 2.0, 0.0574081614613533, , 4.0, 0.0, 14.0, 0.0, 7.0, 0.0, 0.239600002765656, 4.0, 2.11999988555908, 35.0, 0.123000003397465
-InChI%3D1S%2FC19H30N2O5S%2Fc1-12%2817%2823%2921-10-6-9-15%2821%2918%2824%2925%2911-27-19%2826%2913%282%2920-16%2822%2914-7-4-3-5-8-14%2Fh12-15H%2C3-11H2%2C1-2H3%2C%28H%2C20%2C22%29%28H%2C24%2C25%29%2Ft12-%2C13-%2C15%2B%2Fm1%2Fs1, 94.2781982421875, 0.0, 3.0, 2.27255630493164, , 3.0, 2.0, 28.0, 0.0, 13.0, 0.0, -1.50750005245209, 9.0, 2.67000007629395, 57.0, 2.18300008773804
-InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3, 45.0453987121582, 0.0, 0.0, 0.57380622625351, , 0.0, 1.0, 10.0, 0.0, 2.0, 0.0, 0.757499992847443, 2.0, 1.67999994754791, 21.0, 0.722000002861023
-InChI%3D1S%2FC15H21N3O3S%2Fc1-11-5-7-14%288-6-11%2922%2820%2C21%2917-15%2819%2916-18-9-12-3-2-4-13%2812%2910-18%2Fh5-8%2C12-13H%2C2-4%2C9-10H2%2C1H3%2C%28H2%2C16%2C17%2C19%29, 54.8643989562988, 0.0, 0.0, 0.0442260913550854, , 14.0, 2.0, 24.0, 6.0, 7.0, 6.0, -0.210299998521805, 4.0, 2.33999991416931, 43.0, 3.82200002670288
-InChI%3D1S%2FC20H16O3%2Fc21-18%289-10-19%2822%2923%2913-7-8-14-15-5-1-3-12-4-2-6-16%2820%2812%2915%2917%2814%2911-13%2Fh1-8%2C11%2C15%2C20H%2C9-10H2%2C%28H%2C22%2C23%29, 21.6637001037598, 1.0, 4.0, 0.188355997204781, , 18.0, 1.0, 26.0, 17.0, 7.0, 16.0, -0.433999985456467, 4.0, 3.32999992370605, 37.0, 6.57499980926514
-InChI%3D1S%2FC10H17NOS.ClH.2H2O%2Fc1-8-12-10%287-13-8%296-11-4-2-9%2810%293-5-11%3B%3B%3B%2Fh8-9H%2C2-7H2%2C1H3%3B1H%3B2%2A1H2%2Ft8-%2C10-%3B%3B%3B%2Fm1...%2Fs1, 50.5442008972168, 0.0, 0.0, 0.0390457585453987, , 0.0, 2.0, 15.0, 0.0, 0.0, 0.0, -0.19760000705719, 0.0, 1.89999997615814, 38.0, 0.873000025749207
-InChI%3D1S%2FC11H16N4O4%2Fc1-7%2815-5-10%2818%2913-11%2819%296-15%292-14-3-8%2816%2912-9%2817%294-14%2Fh7H%2C2-6H2%2C1H3%2C%28H%2C12%2C16%2C17%29%28H%2C13%2C18%2C19%29, 64.4886016845703, 0.0, 3.0, 6.1053466796875, , 5.0, 2.0, 20.0, 0.0, 3.0, 0.0, -2.47090005874634, 3.0, 1.78999996185303, 35.0, -1.29999995231628
-InChI%3D1S%2FC15H18ClN3O3S%2Fc16-11-1-2-13-12%289-11%2919%2815%2822%2923-13%2910-14%2821%2918-5-3-17%284-6-18%297-8-20%2Fh1-2%2C9%2C20H%2C3-8%2C10H2, 66.5910034179688, 0.0, 2.0, 1.93600008060457e-05, , 9.0, 1.0, 25.0, 6.0, 3.0, 6.0, 0.00439999997615814, 5.0, 2.23000001907349, 41.0, 0.100000001490116
-InChI%3D1S%2FC23H30NO3.BrH%2Fc1-16%282%2924%285%2C17%283%294%2914-15-26-23%2825%2922-18-10-6-8-12-20%2818%2927-21-13-9-7-11-19%2821%2922%3B%2Fh6-13%2C16-17%2C22H%2C14-15H2%2C1-5H3%3B1H%2Fq%2B1%3B%2Fp-1, , 1.0, 2.0, , , 13.0, 0.0, 29.0, 12.0, 13.0, 12.0, , 7.0, 3.44000005722046, 58.0, 6.28299999237061
-InChI%3D1S%2FC20H24ClN3S%2Fc1-22-11-13-23%2814-12-22%299-4-10-24-17-5-2-3-6-19%2817%2925-20-8-7-16%2821%2915-18%2820%2924%2Fh2-3%2C5-8%2C15H%2C4%2C9-14H2%2C1H3, 58.9846000671387, 0.0, 3.0, 1.58357059955597, , 13.0, 0.0, 28.0, 12.0, 3.0, 12.0, 1.25839996337891, 4.0, 3.10999989509583, 49.0, 4.09999990463257
-InChI%3D1S%2FC15H21N3O2%2Fc1-15-7-8-17%283%2913%2815%2918%284%2912-6-5-10%289-11%2812%2915%2920-14%2819%2916-2%2Fh5-6%2C9%2C13H%2C7-8H2%2C1-4H3%2C%28H%2C16%2C19%29%2Ft13-%2C15%2B%2Fm1%2Fs1, 52.8977012634277, 0.0, 0.0, 1.294588804245, , 11.0, 1.0, 22.0, 6.0, 5.0, 6.0, 1.13779997825623, 2.0, 2.55999994277954, 41.0, 2.67700004577637
-InChI%3D1S%2FC35H61NO12%2Fc1-16-14-35%2815-43-35%2932%2840%2919%284%2927%2837%2918%283%2922%287%2946-33%2841%2921%286%2931%2847-26-13-25%2842-11%2928%2838%2923%288%2945-26%2920%285%2930%2816%2948-34-29%2839%2924%2836%289%2910%2912-17%282%2944-34%2Fh16-31%2C34%2C37-39H%2C12-15H2%2C1-11H3%2Ft16-%2C17%2B%2C18-%2C19%2B%2C20%2B%2C21%2B%2C22%2B%2C23-%2C24%3F%2C25%3F%2C26-%2C27-%2C28-%2C29%2B%2C30%3F%2C31%3F%2C34%3F%2C35-%2Fm0%2Fs1, 169.08219909668, 1.0, 0.0, 4.94217348098755, , 3.0, 3.0, 51.0, 0.0, 2.0, 0.0, -2.22309994697571, 6.0, 3.88000011444092, 109.0, 0.695999979972839
-InChI%3D1S%2FC18H24N4O%2Fc1-21-13-6-5-7-14%2821%2911-12%2810-13%2919-18%2823%2917-15-8-3-4-9-16%2815%2922%282%2920-17%2Fh3-4%2C8-9%2C12-14H%2C5-7%2C10-11H2%2C1-2H3%2C%28H%2C19%2C23%29%2Ft12-%2C13%2B%2C14-, 49.3825988769531, 0.0, 0.0, 3.98002505302429, , 8.0, 2.0, 26.0, 10.0, 3.0, 6.0, -1.99500000476837, 3.0, 2.89000010490417, 47.0, 2.57399988174438
-InChI%3D1S%2FC10H12N4O5S%2Fc1-10%285-13-3-2-11-12-13%298%289%2816%2917%2914-6%2815%294-7%2814%2920%2810%2C18%2919%2Fh2-3%2C7-8H%2C4-5H2%2C1H3%2C%28H%2C16%2C17%29%2Ft7-%2C8%2B%2C10%2B%2Fm1%2Fs1, 49.9976005554199, 0.0, 0.0, 1.2332102060318, , 3.0, 3.0, 22.0, 5.0, 2.0, 0.0, -1.11049997806549, 3.0, 1.46000003814697, 32.0, -2.03399991989136
-InChI%3D1S%2FC9H17NO2%2Fc10-7-9%286-8%2811%2912%294-2-1-3-5-9%2Fh1-7%2C10H2%2C%28H%2C11%2C12%29, 41.7888984680176, 0.0, 2.0, 4.21193552017212, , 3.0, 2.0, 12.0, 0.0, 4.0, 0.0, -2.05229997634888, 3.0, 2.11999988555908, 29.0, 1.39100003242493
-InChI%3D1S%2FC20H26O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C12%2C15-18%2C22H%2C4-11H2%2C2H3%2Ft15-%2C16%2B%2C17%3F%2C18-%2C19-%2C20-%2Fm0%2Fs1, 84.4141998291016, 0.0, 2.0, 0.903260171413422, , 4.0, 1.0, 25.0, 0.0, 2.0, 0.0, 0.950399994850159, 0.0, 3.44000005722046, 48.0, 3.24399995803833
-InChI%3D1S%2FC19H17NO7%2Fc1-3-5-9-16-10%2813%2821%297-12%2818%2823%2924%2920%2816%294-2%296-11-14%2822%298-15%2819%2825%2926%2927-17%289%2911%2Fh6-8H%2C3-5H2%2C1-2H3%2C%28H%2C23%2C24%29%28H%2C25%2C26%29, 69.0578994750977, 0.0, 3.0, 1.47452449798584, , 12.0, 2.0, 29.0, 6.0, 3.0, 6.0, -1.21430003643036, 5.0, 2.67000007629395, 48.0, 0.837999999523163
-InChI%3D1S%2FC19H30O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh3%2C13-17%2C20-21H%2C4-11H2%2C1-2H3%2Ft13-%2C14%3F%2C15-%2C16-%2C17-%2C18%3F%2C19%3F%2Fm0%2Fs1, 81.4057006835938, 0.0, 0.0, 0.155788093805313, , 2.0, 2.0, 24.0, 0.0, 0.0, 0.0, -0.394699990749359, 0.0, 3.32999992370605, 51.0, 3.64199995994568
-InChI%3D1S%2FC8H17NO5%2Fc10-2-1-9-3-6%2812%298%2814%297%2813%295%289%294-11%2Fh5-8%2C10-14H%2C1-4H2%2Ft5-%2C6%2B%2C7-%2C8-%2Fm1%2Fs1, 48.1613998413086, 0.0, 2.0, 5.97069215774536, , 0.0, 5.0, 14.0, 0.0, 3.0, 0.0, -2.44350004196167, 3.0, 1.67999994754791, 31.0, -2.25699996948242
-InChI%3D1S%2FC24H26N2O4%2Fc1-28-21-10-4-5-11-22%2821%2929-14-13-25-15-17%2827%2916-30-23-12-6-9-20-24%2823%2918-7-2-3-8-19%2818%2926-20%2Fh2-12%2C17%2C25-27H%2C13-16H2%2C1H3, 38.6652984619141, 0.0, 3.0, 1.54927814006805, , 14.0, 3.0, 33.0, 21.0, 9.0, 18.0, -1.24469995498657, 10.0, 3.44000005722046, 55.0, 4.17500019073486
-InChI%3D1S%2FC12H13I3N2O3%2Fc1-5%2812%2819%2920%294-17%286%282%2918%2911-8%2814%293-7%2813%2910%2816%299%2811%2915%2Fh3%2C5H%2C4%2C16H2%2C1-2H3%2C%28H%2C19%2C20%29, 80.2121963500977, 0.0, 3.0, 8.71489429473877, , 10.0, 2.0, 20.0, 6.0, 10.0, 6.0, 2.95210003852844, 5.0, 1.89999997615814, 33.0, 2.88899993896484
-InChI%3D1S%2FC17H11N5%2Fc18-9-13-1-5-15%286-2-13%2917%2822-12-20-11-21-22%2916-7-3-14%2810-19%294-8-16%2Fh1-8%2C11-12%2C17H, 18.6930999755859, 0.0, 0.0, 0.00103684002533555, , 8.0, 2.0, 24.0, 17.0, 2.0, 12.0, 0.032200001180172, 3.0, 2.77999997138977, 33.0, 3.01399993896484
-InChI%3D1S%2FC19H26N2S%2Fc1-3-7-21-11-13%2812-22-2%298-16-15-5-4-6-17-19%2815%2914%2810-20-17%299-18%2816%2921%2Fh4-6%2C10%2C13%2C16%2C18%2C20H%2C3%2C7-9%2C11-12H2%2C1-2H3%2Ft13-%2C16%3F%2C18-%2Fm1%2Fs1, 58.0694007873535, 0.0, 3.0, 0.00112896005157381, , 7.0, 1.0, 25.0, 10.0, 3.0, 6.0, -0.0335999988019466, 4.0, 3.22000002861023, 47.0, 4.40700006484985
-InChI%3D1S%2FC17H23NO3%2Fc1-18-13-7-8-14%2818%2910-15%289-13%2921-17%2820%2916%2811-19%2912-5-3-2-4-6-12%2Fh2-6%2C13-16%2C19H%2C7-11H2%2C1H3%2Ft13-%2C14-%2C16%3F%2Fm1%2Fs1, 47.6249008178711, 0.0, 3.0, 3.50513291358948, , 6.0, 1.0, 23.0, 6.0, 6.0, 6.0, -1.87220001220703, 5.0, 2.89000010490417, 44.0, 3.53800010681152
-InChI%3D1S%2FC22H19ClO3%2Fc23-16-11-9-14%2810-12-16%2913-5-7-15%288-6-13%2919-20%2824%2917-3-1-2-4-18%2817%2921%2825%2922%2819%2926%2Fh1-4%2C9-13%2C15%2C26H%2C5-8H2%2Ft13-%2C15-, 50.4244003295898, 1.0, 0.0, 0.112896002829075, , 13.0, 1.0, 29.0, 12.0, 0.0, 12.0, 0.335999995470047, 2.0, 3.44000005722046, 45.0, 7.28000020980835
-InChI%3D1S%2FC11H17NO3%2Fc1-7%282%2912-6-11%2815%298-3-4-9%2813%2910%2814%295-8%2Fh3-5%2C7%2C11-15H%2C6H2%2C1-2H3, 34.2991981506348, 0.0, 3.0, 3.19658637046814, , 8.0, 4.0, 15.0, 6.0, 7.0, 6.0, -1.7878999710083, 4.0, 2.23000001907349, 32.0, 0.813000023365021
-InChI%3D1S%2FC18H14F4N2O4S%2Fc1-17%2826%2C10-29%2827%2C28%2914-6-3-12%2819%294-7-14%2916%2825%2924-13-5-2-11%289-23%2915%288-13%2918%2820%2C21%2922%2Fh2-8%2C26H%2C10H2%2C1H3%2C%28H%2C24%2C25%29%2Ft17-%2Fm0%2Fs1, 45.9360008239746, 0.0, 3.0, 0.658694565296173, , 11.0, 2.0, 30.0, 12.0, 10.0, 12.0, 0.811600029468536, 6.0, 2.23000001907349, 43.0, 3.89299988746643
-InChI%3D1S%2FC12H20N2O3S%2Fc1-9%282%2913-8-12%2815%2910-4-6-11%287-5-10%2914-18%283%2C16%2917%2Fh4-7%2C9%2C12-15H%2C8H2%2C1-3H3, 46.00830078125, 0.0, 3.0, 2.89510226249695, , 10.0, 3.0, 18.0, 6.0, 7.0, 6.0, -1.70150005817413, 6.0, 2.11999988555908, 38.0, 1.26400005817413
-InChI%3D1S%2FC24H31FO6%2Fc1-13-9-18-17-6-5-15-10-16%2827%297-8-21%2815%2C3%2923%2817%2C25%2919%2828%2911-22%2818%2C4%2924%2813%2C30%2920%2829%2912-31-14%282%2926%2Fh7-8%2C10%2C13%2C17-19%2C28%2C30H%2C5-6%2C9%2C11-12H2%2C1-4H3%2Ft13-%2C17%2B%2C18%3F%2C19%3F%2C21%2B%2C22%2B%2C23%3F%2C24%2B%2Fm1%2Fs1, 110.446800231934, 0.0, 2.0, 0.319112002849579, , 6.0, 2.0, 34.0, 0.0, 7.0, 0.0, -0.564899981021881, 4.0, 3.32999992370605, 62.0, 1.44900000095367
-InChI%3D1S%2FC19H19N7O6%2Fc20-19-25-15-14%2817%2830%2926-19%2923-11%288-22-15%297-21-10-3-1-9%282-4-10%2916%2829%2924-12%2818%2831%2932%295-6-13%2827%2928%2Fh1-4%2C8%2C12%2C21H%2C5-7H2%2C%28H%2C24%2C29%29%28H%2C27%2C28%29%28H%2C31%2C32%29%28H3%2C20%2C22%2C25%2C26%2C30%29%2Ft12-%2Fm0%2Fs1, 57.6176986694336, 2.0, 5.0, 7.45890712738037, , 10.0, 8.0, 34.0, 12.0, 12.0, 12.0, -2.73110008239746, 10.0, 2.11999988555908, 53.0, 0.0790000036358833
-InChI%3D1S%2FC18H22O5S.C4H10N2%2Fc1-18-9-8-14-13-5-3-12%2823-24%2820%2C21%2922%2910-11%2813%292-4-15%2814%2916%2818%296-7-17%2818%2919%3B1-2-6-4-3-5-1%2Fh3%2C5%2C10%2C14-16H%2C2%2C4%2C6-9H2%2C1H3%2C%28H%2C20%2C21%2C22%29%3B5-6H%2C1-4H2%2Ft14-%2C15%3F%2C16%2B%2C18%2B%3B%2Fm1.%2Fs1, 88.7710037231445, , 0.0, 0.552643537521362, , 11.0, 3.0, 33.0, 6.0, 5.0, 6.0, -0.743399977684021, 2.0, 3.0, 62.0, 
-InChI%3D1S%2FC24H30N2O8%2Fc1-5-25-26-24%2829%2921-15%2810-27%2922%2828%2914-9-17-16%2833-11-34-17%298-13%2814%2920%2821%2912-6-18%2830-2%2923%2832-4%2919%287-12%2931-3%2Fh6-9%2C15%2C20-22%2C25%2C27-28H%2C5%2C10-11H2%2C1-4H3%2C%28H%2C26%2C29%29%2Ft15-%2C20%2B%2C21%3F%2C22-%2Fm0%2Fs1, 74.5744018554688, 0.0, 2.0, 4.07676458358765, , 9.0, 4.0, 37.0, 12.0, 6.0, 12.0, -2.01909995079041, 8.0, 3.0, 64.0, 2.34800004959106
-InChI%3D1S%2FC20H22ClN3O%2Fc1-3-24%284-2%2913-14-11-16%286-8-20%2814%2925%2923-18-9-10-22-19-12-15%2821%295-7-17%2818%2919%2Fh5-12%2C25H%2C3-4%2C13H2%2C1-2H3%2C%28H%2C22%2C23%29, 39.0713996887207, 0.0, 2.0, 0.352598428726196, , 18.0, 2.0, 27.0, 17.0, 6.0, 16.0, 0.593800008296967, 6.0, 3.10999989509583, 47.0, 4.03000020980835
-InChI%3D1S%2FC42H50Cl4N2O4%2Fc1-42-17-16-36-35-13-11-34%2851-40%2849%2926-29-2-7-32%288-3-29%2947%2822-18-43%2923-19-44%2928-31%2835%296-12-37%2836%2938%2842%2914-15-39%2842%2952-41%2850%2927-30-4-9-33%2810-5-30%2948%2824-20-45%2925-21-46%2Fh2-5%2C7-11%2C13%2C28%2C36-39H%2C6%2C12%2C14-27H2%2C1H3%2Ft36-%2C37%3F%2C38%2B%2C39%2B%2C42%3F%2Fm1%2Fs1, 135.104705810547, 2.0, 2.0, 11.7957906723022, , 9.0, 0.0, 57.0, 18.0, 7.0, 18.0, 3.43449997901917, 18.0, 4.98000001907349, 102.0, 12.5939998626709
-InChI%3D1S%2FC27H49N7O17%2Fc1-6-27%2845%2C5-37%2921%2824%2846-6%2950-20-10%2834-26%2830%2931%2913%2839%299%2833-25%2828%2929%2914%2840%2917%2820%2943%2951-22-11%2832-2%2915%2841%2919%288%284-36%2948-22%2949-23-18%2844%2916%2842%2912%2838%297%283-35%2947-23%2Fh5-24%2C32%2C35-36%2C38-45H%2C3-4H2%2C1-2H3%2C%28H4%2C28%2C29%2C33%29%28H4%2C30%2C31%2C34%29%2Ft6-%2C7%2B%2C8-%2C9%2B%2C10-%2C11-%2C12%2B%2C13%2B%2C14-%2C15-%2C16-%2C17%2B%2C18%3F%2C19%3F%2C20%3F%2C21-%2C22-%2C23-%2C24-%2C27%2B%2Fm0%2Fs1, 154.575607299805, 3.0, 0.0, 57.7189674377441, , 4.0, 17.0, 54.0, 0.0, 4.0, 0.0, -7.59730005264282, 14.0, 1.78999996185303, 100.0, -5.47700023651123
-InChI%3D1S%2FC29H50O%2Fc1-7-21%2819%282%293%299-8-20%284%2925-12-13-26-24-11-10-22-18-23%2830%2914-16-28%2822%2C5%2927%2824%2915-17-29%2825%2C26%296%2Fh10%2C19-21%2C23-27%2C30H%2C7-9%2C11-18H2%2C1-6H3%2Ft20-%2C21-%2C23%2B%2C24%3F%2C25-%2C26%2B%2C27%2B%2C28%2B%2C29-%2Fm1%2Fs1, 123.876098632812, 1.0, 7.0, 1.69000005722046, , 2.0, 1.0, 33.0, 0.0, 10.0, 0.0, 1.29999995231628, 6.0, 4.53999996185303, 80.0, 11.5950002670288
-InChI%3D1S%2FC25H30N2O5%2Fc1-3-32-25%2831%2921%2814-13-18-9-5-4-6-10-18%2926-17%282%2923%2828%2927-16-20-12-8-7-11-19%2820%2915-22%2827%2924%2829%2930%2Fh4-12%2C17%2C21-22%2C26H%2C3%2C13-16H2%2C1-2H3%2C%28H%2C29%2C30%29%2Ft17-%2C21-%2C22-%2Fm0%2Fs1, 67.4646987915039, 2.0, 4.0, 2.57602500915527, , 6.0, 2.0, 34.0, 12.0, 13.0, 12.0, -1.60500001907349, 11.0, 3.44000005722046, 62.0, 6.38000011444092
-InChI%3D1S%2FC16H25N3O%2Fc1-3-16%2820%2919%2815-9-5-6-10-17-15%2914%282%2913-18-11-7-4-8-12-18%2Fh5-6%2C9-10%2C14H%2C3-4%2C7-8%2C11-13H2%2C1-2H3, 52.9553985595703, 0.0, 3.0, 1.85995042324066, , 9.0, 0.0, 21.0, 6.0, 8.0, 6.0, -1.36380004882812, 6.0, 2.77999997138977, 45.0, 2.71799993515015
-InChI%3D1S%2FC15H32N4O5%2Fc1-6%2816%298-5-4-7%2817%2915%2823-8%2924-13-9%2818%2911%2820%2914%2822-3%2910%2819-2%2912%2813%2921%2Fh6-15%2C19-21H%2C4-5%2C16-18H2%2C1-3H3%2Ft6-%2C7%3F%2C8-%2C9-%2C10%3F%2C11-%2C12%2B%2C13%3F%2C14%2B%2C15%2B%2Fm0%2Fs1, 82.8266983032227, 1.0, 0.0, 22.038330078125, , 0.0, 6.0, 25.0, 0.0, 2.0, 0.0, -4.69449996948242, 5.0, 2.11999988555908, 56.0, -2.40799999237061
-InChI%3D1S%2FC11H12N2O2%2Fc12-9%2811%2814%2915%295-7-6-13-10-4-2-1-3-8%287%2910%2Fh1-4%2C6%2C9%2C13H%2C5%2C12H2%2C%28H%2C14%2C15%29%2Ft9-%2Fm0%2Fs1, 19.6296005249023, 0.0, 3.0, 1.17592334747314, , 7.0, 3.0, 16.0, 10.0, 6.0, 6.0, -1.08440005779266, 3.0, 2.23000001907349, 26.0, -0.84799998998642
-InChI%3D1S%2FC22H26N2O4%2Fc1-7-15-13%282%2923-24-22%2814-8-9-18%2825-3%2919%2810-14%2926-4%2917-12-21%2828-6%2920%2827-5%2911-16%2815%2917%2Fh8-12%2C15H%2C7H2%2C1-6H3, 60.3256988525391, 0.0, 2.0, 0.623942017555237, , 20.0, 0.0, 30.0, 12.0, 2.0, 12.0, -0.789900004863739, 6.0, 3.22000002861023, 54.0, 4.29099988937378
-InChI%3D1S%2FC10H14N2O4S2%2Fc11-18%2815%2C16%2910-5-3-9%284-6-10%2912-7-1-2-8-17%2812%2C13%2914%2Fh3-6H%2C1-2%2C7-8H2%2C%28H2%2C11%2C15%2C16%29, 37.5307998657227, 0.0, 0.0, 5.88450574874878, , 14.0, 1.0, 19.0, 6.0, 3.0, 6.0, -2.42580008506775, 2.0, 1.67999994754791, 32.0, 0.513999998569489
-InChI%3D1S%2FC6H5NO2%2Fc8-6%289%295-2-1-3-7-4-5%2Fh1-4H%2C%28H%2C8%2C9%29, 7.21929979324341, 0.0, 0.0, 0.0575040392577648, , 9.0, 1.0, 9.0, 6.0, 3.0, 6.0, -0.239800006151199, 1.0, 1.78999996185303, 14.0, 0.637000024318695
-InChI%3D1S%2FC8H10N2S%2Fc1-2-7-5-6%288%289%2911%293-4-10-7%2Fh3-5H%2C2H2%2C1H3%2C%28H2%2C9%2C11%29, 23.7005004882812, 0.0, 2.0, 0.0954810008406639, , 8.0, 1.0, 11.0, 6.0, 2.0, 6.0, 0.308999985456467, 2.0, 2.00999999046326, 21.0, 2.31500005722046
-InChI%3D1S%2FC19H26I3N3O9%2Fc1-8%2829%2925%284-11%2832%297-28%2917-15%2821%2912%2818%2833%2923-2-9%2830%295-26%2914%2820%2913%2816%2817%2922%2919%2834%2924-3-10%2831%296-27%2Fh9-11%2C26-28%2C30-32H%2C2-7H2%2C1H3%2C%28H%2C23%2C33%29%28H%2C24%2C34%29, 125.138198852539, 3.0, 3.0, 0.0325441583991051, , 15.0, 8.0, 34.0, 6.0, 9.0, 6.0, 0.180399999022484, 13.0, 1.89999997615814, 60.0, -1.16700005531311
-InChI%3D1S%2FC29H35NO2%2Fc1-5-15-29%2832%2916-14-26-24-12-8-20-17-22%2831%2911-13-23%2820%2927%2824%2925%2818-28%2826%2C29%292%2919-6-9-21%2810-7-19%2930%283%294%2Fh6-7%2C9-10%2C17%2C24-26%2C32H%2C8%2C11-14%2C16%2C18H2%2C1-4H3%2Ft24-%2C25%2B%2C26-%2C28-%2C29-%2Fm0%2Fs1, 106.910400390625, 0.0, 3.0, 4.01441287994385, , 7.0, 1.0, 36.0, 6.0, 3.0, 6.0, 2.00359988212585, 2.0, 4.32000017166138, 67.0, 4.91200017929077
-InChI%3D1S%2FC8H15Cl3O3%2Fc1-5%284-7%282%2C3%2913%2914-6%2812%298%289%2C10%2911%2Fh5-6%2C12-13H%2C4H2%2C1-3H3, 58.3811988830566, 0.0, 5.0, 2.54817366600037, , 0.0, 2.0, 13.0, 0.0, 14.0, 0.0, 1.59630000591278, 5.0, 1.67999994754791, 29.0, 2.30699992179871
-InChI%3D1S%2FC16H13ClN2O%2Fc17-12-7-5-11%286-8-12%2916%2820%2914-4-2-1-3-13%2814%2915-18-9-10-19%2815%2916%2Fh1-8%2C20H%2C9-10H2, 28.4169998168945, 0.0, 0.0, 0.139576956629753, , 9.0, 1.0, 23.0, 12.0, 0.0, 12.0, -0.373600006103516, 1.0, 2.77999997138977, 33.0, 4.49700021743774
-InChI%3D1S%2FC10H14N2O3%2Fc1-4-5-10%286%282%293%297%2813%2911-9%2815%2912-8%2810%2914%2Fh4%2C6H%2C1%2C5H2%2C2-3H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29, 53.2854995727539, 0.0, 3.0, 0.0292752105742693, , 8.0, 2.0, 15.0, 0.0, 3.0, 0.0, 0.171100005507469, 3.0, 2.00999999046326, 29.0, 2.1340000629425
-InChI%3D1S%2FC17H25NO3%2Fc1-17%282%2C3%2918-10-12%2819%2911-21-16-9-5-6-13-14%2816%297-4-8-15%2813%2920%2Fh5-6%2C9%2C12%2C18-19H%2C4%2C7-8%2C10-11H2%2C1-3H3%2Ft12-%2Fm0%2Fs1, 57.4786987304688, 0.0, 3.0, 0.233289003372192, , 9.0, 2.0, 22.0, 6.0, 10.0, 6.0, -0.483000010251999, 6.0, 2.89000010490417, 46.0, 2.12100005149841
-InChI%3D1S%2FC14H11Cl2NO2%2Fc15-10-5-3-6-11%2816%2914%2810%2917-12-7-2-1-4-9%2812%298-13%2818%2919%2Fh1-7%2C17H%2C8H2%2C%28H%2C18%2C19%29, 26.2996997833252, 0.0, 2.0, 0.745114266872406, , 13.0, 2.0, 20.0, 12.0, 4.0, 12.0, 0.863200008869171, 4.0, 2.45000004768372, 30.0, 4.11999988555908
-InChI%3D1S%2FC20H30NO3.BrH%2Fc1-21%282%2913-12-18%2815-21%2924-19%2822%2914-20%2823%2C17-10-6-7-11-17%2916-8-4-3-5-9-16%3B%2Fh3-5%2C8-9%2C17-18%2C23H%2C6-7%2C10-15H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1, , 0.0, 3.0, , , 6.0, 1.0, 26.0, 6.0, 6.0, 6.0, , 6.0, 3.10999989509583, 55.0, 4.87400007247925
-InChI%3D1S%2FC9H11NO3%2Fc10-8%289%2812%2913%295-6-1-3-7%2811%294-2-6%2Fh1-4%2C8%2C11H%2C5%2C10H2%2C%28H%2C12%2C13%29%2Ft8-%2Fm0%2Fs1, 22.1942005157471, 0.0, 3.0, 2.3860981464386, , 7.0, 3.0, 13.0, 6.0, 6.0, 6.0, -1.54470002651215, 3.0, 2.00999999046326, 24.0, -1.57700002193451
-InChI%3D1S%2FC6H9NO3%2Fc1-6%282%294%288%297%283%295%289%2910-6%2Fh1-3H3, 33.1990013122559, 0.0, 0.0, 0.239023208618164, , 6.0, 0.0, 10.0, 0.0, 0.0, 0.0, 0.488900005817413, 0.0, 1.67999994754791, 19.0, -0.00899999961256981
-InChI%3D1S%2FC23H29N3O%2Fc27-19-18-25-16-14-24%2815-17-25%2912-5-13-26-22-8-3-1-6-20%2822%2910-11-21-7-2-4-9-23%2821%2926%2Fh1-4%2C6-11%2C27H%2C5%2C12-19H2, 62.1864013671875, 0.0, 3.0, 0.0219336096197367, , 15.0, 1.0, 30.0, 12.0, 3.0, 12.0, -0.148100003600121, 6.0, 3.54999995231628, 56.0, 4.39400005340576
-InChI%3D1S%2FC11H15NO4S%2Fc1-3-12%284-2%2917%2815%2C16%2910-7-5-9%286-8-10%2911%2813%2914%2Fh5-8H%2C3-4H2%2C1-2H3%2C%28H%2C13%2C14%29, 38.3418998718262, 0.0, 2.0, 0.221746817231178, , 13.0, 1.0, 17.0, 6.0, 8.0, 6.0, -0.470899999141693, 5.0, 2.00999999046326, 32.0, 1.59200000762939
-InChI%3D1S%2FC12H15Cl2NO5S%2Fc1-21%2819%2C20%298-4-2-7%283-5-8%2910%2817%299%286-16%2915-12%2818%2911%2813%2914%2Fh2-5%2C9-11%2C16-17H%2C6H2%2C1H3%2C%28H%2C15%2C18%29%2Ft9-%2C10-%2Fm1%2Fs1, 54.7587013244629, 0.0, 3.0, 0.103297956287861, , 9.0, 3.0, 21.0, 6.0, 11.0, 6.0, -0.321399986743927, 6.0, 1.78999996185303, 36.0, 0.921999990940094
-InChI%3D1S%2FC23H32O4%2Fc1-14%2824%2927-13-21%2826%2920-7-6-18-17-5-4-15-12-16%2825%298-10-22%2815%2C2%2919%2817%299-11-23%2818%2C20%293%2Fh12%2C17-20H%2C4-11%2C13H2%2C1-3H3%2Ft17%3F%2C18-%2C19-%2C20%2B%2C22-%2C23-%2Fm0%2Fs1, 102.761497497559, 0.0, 2.0, 0.389750480651855, , 4.0, 0.0, 30.0, 0.0, 7.0, 0.0, 0.624300003051758, 4.0, 3.54999995231628, 59.0, 4.52899980545044
-InChI%3D1S%2FC15H21N3O2S3%2Fc1-15%282%2C3%2917-6-9%2819%297-21-14-18-10%288-22-14%2911-4-5-12%2823-11%2913%2816%2920%2Fh4-5%2C8-9%2C17%2C19H%2C6-7H2%2C1-3H3%2C%28H2%2C16%2C20%29, 69.0093994140625, 0.0, 3.0, 1.59441125392914, , 13.0, 4.0, 24.0, 10.0, 10.0, 10.0, 1.26269996166229, 8.0, 2.23000001907349, 44.0, 1.83299994468689
-InChI%3D1S%2FC9H13NO2%2Fc1-6%2810%299%2812%297-3-2-4-8%2811%295-7%2Fh2-6%2C9%2C11-12H%2C10H2%2C1H3%2Ft6-%2C9-%2Fm0%2Fs1, 22.0457992553711, 0.0, 3.0, 2.95840001106262, , 7.0, 3.0, 12.0, 6.0, 5.0, 6.0, -1.72000002861023, 2.0, 2.11999988555908, 25.0, 0.533999979496002
-InChI%3D1S%2FC19H22N2%2Fc1-16-7-9-17%2810-8-16%2918%2819-6-2-3-12-20-19%2911-15-21-13-4-5-14-21%2Fh2-3%2C6-12H%2C4-5%2C13-15H2%2C1H3, 37.4584007263184, 1.0, 3.0, 0.14915044605732, , 14.0, 0.0, 23.0, 12.0, 3.0, 12.0, 0.38620001077652, 4.0, 3.32999992370605, 43.0, 5.94399976730347
-InChI%3D1S%2FC21H28O2%2Fc1-4-21%2823%2910-8-18-19-13%282%2911-14-12-15%2822%295-6-16%2814%2917%2819%297-9-20%2818%2C21%293%2Fh1%2C13%2C17-19%2C23H%2C5-12H2%2C2-3H3%2Ft13-%2C17-%2C18%2B%2C19%3F%2C20%2B%2C21%2B%2Fm1%2Fs1, 90.1719970703125, 0.0, 2.0, 2.00958967208862, , 2.0, 1.0, 26.0, 0.0, 2.0, 0.0, 1.41760003566742, 0.0, 3.54999995231628, 51.0, 2.98799991607666
-InChI%3D1S%2FC30H24N4O10%2Fc35-26%2819-5-1-9-31-13-19%2940-17-23-24%2842-28%2837%2921-7-3-11-33-15-21%2925%2843-29%2838%2922-8-4-12-34-16-22%2930%2839%2C44-23%2918-41-27%2836%2920-6-2-10-32-14-20%2Fh1-16%2C23-25%2C39H%2C17-18H2%2Ft23%3F%2C24%3F%2C25-%2C30%2B%2Fm0%2Fs1, 51.2691993713379, 2.0, 0.0, 1.18113422393799, , 9.0, 1.0, 48.0, 24.0, 4.0, 24.0, -1.0867999792099, 14.0, 3.22000002861023, 68.0, 2.37199997901917
-InChI%3D1S%2FC21H32O%2Fc1-3-12-21%2822%2914-11-19-18-9-8-15-6-4-5-7-16%2815%2917%2818%2910-13-20%2819%2C21%292%2Fh3%2C6%2C16-19%2C22H%2C1%2C4-5%2C7-14H2%2C2H3%2Ft16-%2C17%2B%2C18%3F%2C19-%2C20-%2C21-%2Fm0%2Fs1, 89.2059020996094, 1.0, 3.0, 1.58432567119598, , 2.0, 1.0, 25.0, 0.0, 3.0, 0.0, 1.25870001316071, 2.0, 3.66000008583069, 54.0, 6.29300022125244
-InChI%3D1S%2FC7H14N4%2Fc1-4-7%282%2C3%2911-6%289%2910-5-8%2Fh4H2%2C1-3H3%2C%28H3%2C9%2C10%2C11%29, 40.4336013793945, 0.0, 4.0, 0.000519839988555759, , 6.0, 3.0, 10.0, 0.0, 11.0, 0.0, 0.02280000038445, 4.0, 1.78999996185303, 25.0, 1.73399996757507
-InChI%3D1S%2FC22H19NO4%2Fc1-15%2824%2926-19-10-6-17%287-11-19%2922%2821-5-3-4-14-23-21%2918-8-12-20%2813-9-18%2927-16%282%2925%2Fh3-14%2C22H%2C1-2H3, 27.1564998626709, 1.0, 2.0, 0.0268632099032402, , 9.0, 0.0, 29.0, 18.0, 4.0, 18.0, -0.163900002837181, 7.0, 3.32999992370605, 46.0, 5.80999994277954
-InChI%3D1S%2FC2H8O7P2%2Fc1-2%283%2C10%284%2C5%296%2911%287%2C8%299%2Fh3H%2C1H3%2C%28H2%2C4%2C5%2C6%29%28H2%2C7%2C8%2C9%29, 33.3638000488281, 0.0, 0.0, 0.642883241176605, , 4.0, 5.0, 10.0, 0.0, 11.0, 0.0, -0.801800012588501, 2.0, 0.689999997615814, 19.0, -3.81500005722046
-InChI%3D1S%2FC22H27NO2%2Fc1-23-19%2815-21%2824%2917-9-4-2-5-10-17%2913-8-14-20%2823%2916-22%2825%2918-11-6-3-7-12-18%2Fh2-7%2C9-12%2C19-21%2C24H%2C8%2C13-16H2%2C1H3%2Ft19-%2C20%2B%2C21-%2Fm0%2Fs1, 42.8945999145508, 1.0, 2.0, 3.52312898635864, , 8.0, 1.0, 27.0, 12.0, 3.0, 12.0, -1.87699997425079, 6.0, 3.54999995231628, 52.0, 6.14599990844727
-InChI%3D1S%2FC23H30ClN3O%2Fc1-5-27%286-2%2913-7-8-16%283%2925-23-19-11-9-17%2824%2914-22%2819%2926-21-12-10-18%2828-4%2915-20%2821%2923%2Fh9-12%2C14-16H%2C5-8%2C13H2%2C1-4H3%2C%28H%2C25%2C26%29, 65.4521026611328, 1.0, 5.0, 0.0438902489840984, , 16.0, 1.0, 30.0, 12.0, 11.0, 12.0, 0.209499999880791, 8.0, 3.44000005722046, 58.0, 5.10799980163574
-InChI%3D1S%2FC21H23NO3%2Fc1-22%282%2911-5-8-18-17-7-4-3-6-16%2817%2914-25-20-10-9-15%2812-19%2818%2920%2913-21%2823%2924%2Fh3-4%2C6-10%2C12H%2C5%2C11%2C13-14H2%2C1-2H3%2C%28H%2C23%2C24%29, 49.1134986877441, 0.0, 3.0, 0.0179292093962431, , 15.0, 1.0, 27.0, 12.0, 6.0, 12.0, -0.133900001645088, 5.0, 3.32999992370605, 48.0, 4.1230001449585
-InChI%3D1S%2FC21H26N2O7%2Fc1-12%282%2930-21%2825%2918-14%284%2922-13%283%2917%2820%2824%2929-10-9-28-5%2919%2818%2915-7-6-8-16%2811-15%2923%2826%2927%2Fh6-8%2C11-12%2C19%2C22H%2C9-10H2%2C1-5H3, 82.6696014404297, 0.0, 2.0, 0.000888039998244494, , 11.0, 1.0, 31.0, 6.0, 7.0, 6.0, -0.0297999996691942, 10.0, 2.77999997138977, 56.0, 4.60300016403198
-InChI%3D1S%2FC11H17N3O3%2Fc1-3-17-10-9%288-12-13%282%2911%2810%2915%2914-4-6-16-7-5-14%2Fh8H%2C3-7H2%2C1-2H3, 62.8465995788574, 0.0, 2.0, 1.09139811992645, , 4.0, 1.0, 18.0, 0.0, 3.0, 0.0, -1.04470002651215, 3.0, 2.00999999046326, 38.0, -0.474000006914139
-InChI%3D1S%2FC8H6N4O5%2Fc13-6-4-11%288%2814%2910-6%299-3-5-1-2-7%2817-5%2912%2815%2916%2Fh1-3H%2C4H2%2C%28H%2C10%2C13%2C14%29%2Fb9-3%2B, 32.3368988037109, 0.0, 0.0, 1.64070475101471, , 16.0, 1.0, 18.0, 5.0, 2.0, 5.0, -1.28090000152588, 3.0, 1.35000002384186, 23.0, 0.880999982357025
-InChI%3D1S%2FC11H12I3NO2%2Fc1-2-5%2811%2816%2917%293-6-7%2812%294-8%2813%2910%2815%299%286%2914%2Fh4-5H%2C2-3%2C15H2%2C1H3%2C%28H%2C16%2C17%29, 70.4664993286133, 0.0, 4.0, 10.3066682815552, , 7.0, 2.0, 17.0, 6.0, 7.0, 6.0, 3.21040010452271, 4.0, 2.00999999046326, 29.0, 4.11700010299683
-InChI%3D1S%2FC37H67NO13%2Fc1-14-25-37%2810%2C45%2930%2841%2920%284%2927%2839%2918%282%2916-35%288%2C44%2932%2851-34-28%2840%2924%2838%2811%2912%2915-19%283%2947-34%2921%285%2929%2822%286%2933%2843%2949-25%2950-26-17-36%289%2C46-13%2931%2842%2923%287%2948-26%2Fh18-26%2C28-32%2C34%2C40-42%2C44-45H%2C14-17H2%2C1-13H3%2Ft18-%2C19-%2C20%2B%2C21%2B%2C22-%2C23%2B%2C24%3F%2C25-%2C26%2B%2C28-%2C29%2B%2C30-%2C31%2B%2C32-%2C34%3F%2C35-%2C36-%2C37-%2Fm1%2Fs1, 181.480804443359, 1.0, 2.0, 6.061936378479, , 3.0, 5.0, 53.0, 0.0, 2.0, 0.0, -2.4621000289917, 7.0, 3.99000000953674, 118.0, 1.14100003242493
-InChI%3D1S%2FC21H24O2%2Fc1-3-20-11-9-17-16-8-6-15%2822%2913-14%2816%295-7-18%2817%2919%2820%2910-12-21%2820%2C23%294-2%2Fh2%2C9%2C11%2C13%2C18-19%2C23H%2C3%2C5-8%2C10%2C12H2%2C1H3%2Ft18-%2C19%2B%2C20%3F%2C21%2B%2Fm1%2Fs1, 92.9504013061523, 0.0, 2.0, 1.58936452865601, , 8.0, 1.0, 26.0, 0.0, 2.0, 0.0, 1.2606999874115, 1.0, 3.54999995231628, 47.0, 2.61500000953674
-InChI%3D1S%2FC25H28N6O%2Fc1-2-3-10-22-26-25%2815-6-7-16-25%2924%2832%2931%2822%2917-18-11-13-19%2814-12-18%2920-8-4-5-9-21%2820%2923-27-29-30-28-23%2Fh4-5%2C8-9%2C11-14H%2C2-3%2C6-7%2C10%2C15-17H2%2C1H3%2C%28H%2C27%2C28%2C29%2C30%29, 51.6531982421875, 1.0, 4.0, 2.03946971893311, , 12.0, 4.0, 36.0, 17.0, 4.0, 12.0, -1.42809998989105, 7.0, 3.44000005722046, 59.0, 7.05499982833862
-InChI%3D1S%2FC17H19N3O3S%2Fc1-10-8-18-15%2811%282%2916%2810%2923-4%299-24%2821%2917-19-13-6-5-12%2822-3%297-14%2813%2920-17%2Fh5-8H%2C9H2%2C1-4H3%2C%28H%2C19%2C20%29, 39.5131988525391, 0.0, 0.0, 0.449972629547119, , 9.0, 2.0, 26.0, 16.0, 3.0, 12.0, 0.670799970626831, 5.0, 2.55999994277954, 42.0, 1.09800004959106
-InChI%3D1S%2FC16H19N3O4S%2Fc1-8-7-24-15-11%2814%2821%2919%2815%2912%288%2916%2822%2923%2918-13%2820%2910%2817%299-5-3-2-4-6-9%2Fh2-3%2C6%2C10-11%2C15H%2C4-5%2C7%2C17H2%2C1H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft10-%2C11%3F%2C15-%2Fm1%2Fs1, 92.6535034179688, 0.0, 2.0, 0.0930860117077827, , 8.0, 3.0, 26.0, 0.0, 5.0, 0.0, 0.305099993944168, 4.0, 2.33999991416931, 43.0, -2.71099996566772
-InChI%3D1S%2FC18H18ClNOS%2Fc1-20%282%299-10-21-16-11-13-5-3-4-6-17%2813%2922-18-8-7-14%2819%2912-15%2816%2918%2Fh3-8%2C11-12H%2C9-10H2%2C1-2H3, 48.3903007507324, 1.0, 2.0, 2.08167195320129, , 15.0, 0.0, 24.0, 12.0, 6.0, 12.0, 1.44280004501343, 4.0, 3.0, 40.0, 5.18200016021729
-InChI%3D1S%2FC38H59FO6%2Fc1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34%2843%2945-26-33%2842%2938%2844%2927%282%2923-31-30-20-19-28-24-29%2840%2921-22-35%2828%2C3%2937%2830%2C39%2932%2841%2925-36%2831%2C38%294%2Fh21-22%2C24%2C27%2C30-32%2C41%2C44H%2C5-20%2C23%2C25-26H2%2C1-4H3%2Ft27-%2C30%2B%2C31%3F%2C32%2B%2C35%2B%2C36%2B%2C37%3F%2C38%2B%2Fm1%2Fs1, 153.321105957031, 2.0, 16.0, 17.9157485961914, , 6.0, 2.0, 48.0, 0.0, 21.0, 0.0, -4.23269987106323, 18.0, 4.86999988555908, 104.0, 9.09899997711182
-InChI%3D1S%2FC14H22ClNO%2Fc1-11%2810-16%283%294%2914%282%2C17%299-12-5-7-13%2815%298-6-12%2Fh5-8%2C11%2C17H%2C9-10H2%2C1-4H3, 48.5092010498047, 0.0, 4.0, 1.26023077964783, , 6.0, 1.0, 17.0, 6.0, 10.0, 6.0, 1.12259995937347, 5.0, 2.67000007629395, 39.0, 3.19199991226196
-InChI%3D1S%2FC15H16N2O6S2%2Fc1-15%282%299%2814%2822%2923%2917-11%2819%298%2812%2817%2925-15%2916-10%2818%297%2813%2820%2921%296-3-4-24-5-6%2Fh3-5%2C7-9%2C12H%2C1-2H3%2C%28H%2C16%2C18%29%28H%2C20%2C21%29%28H%2C22%2C23%29%2Ft7-%2C8%3F%2C9%2B%2C12-%2Fm1%2Fs1, 73.1561965942383, 0.0, 3.0, 0.0638067573308945, , 5.0, 3.0, 27.0, 5.0, 7.0, 5.0, 0.252600014209747, 5.0, 2.00999999046326, 41.0, 0.303999990224838
-InChI%3D1S%2FC17H20N2S%2Fc1-13%2818%282%293%2912-19-14-8-4-6-10-16%2814%2920-17-11-7-5-9-15%2817%2919%2Fh4-11%2C13H%2C12H2%2C1-3H3, 38.99169921875, 0.0, 3.0, 0.695722818374634, , 13.0, 0.0, 22.0, 12.0, 6.0, 12.0, 0.834100008010864, 3.0, 3.0, 40.0, 4.46299982070923
-InChI%3D1S%2FC21H28O5%2Fc1-19-7-5-13%2823%299-12%2819%293-4-14-15-6-8-21%2826%2C17%2825%2911-22%2920%2815%2C2%2910-16%2824%2918%2814%2919%2Fh5%2C7%2C9%2C14-16%2C18%2C22%2C24%2C26H%2C3-4%2C6%2C8%2C10-11H2%2C1-2H3%2Ft14%3F%2C15-%2C16-%2C18%2B%2C19-%2C20%3F%2C21-%2Fm0%2Fs1, 97.1956024169922, 0.0, 2.0, 0.735649287700653, , 6.0, 3.0, 29.0, 0.0, 4.0, 0.0, -0.857699990272522, 2.0, 3.22000002861023, 54.0, 1.02100002765656
-InChI%3D1S%2FC16H22ClN3O4%2Fc1-16%282%2C24-13-5-3-12%2817%294-6-13%2914%2821%2919-15%2822%2918-11-20-7-9-23-10-8-20%2Fh3-6H%2C7-11H2%2C1-2H3%2C%28H2%2C18%2C19%2C21%2C22%29, 65.4194030761719, 0.0, 3.0, 0.0935748070478439, , 7.0, 2.0, 25.0, 6.0, 11.0, 6.0, -0.305900007486343, 6.0, 2.33999991416931, 46.0, 1.75600004196167
-InChI%3D1S%2FC19H39N5O7%2Fc1-19%2827%297-28-18%2813%2826%2916%2819%2924-2%2931-15-11%2823%295-10%2822%2914%2812%2815%2925%2930-17-9%2821%294-3-8%286-20%2929-17%2Fh8-18%2C24-27H%2C3-7%2C20-23H2%2C1-2H3%2Ft8-%2C9%2B%2C10-%2C11%2B%2C12-%2C13%2B%2C14%3F%2C15%3F%2C16%2B%2C17%3F%2C18%3F%2C19%3F%2Fm0%2Fs1, 103.186096191406, 2.0, 0.0, 38.3210525512695, , 0.0, 8.0, 33.0, 0.0, 2.0, 0.0, -6.19040012359619, 6.0, 2.23000001907349, 70.0, -3.73000001907349
-InChI%3D1S%2FC18H18N2%2Fc1-3-7-14%288-4-1%2918%2815-9-5-2-6-10-15%2913-16%2818%2917-19-11-12-20-17%2Fh1-10%2C16H%2C11-13H2%2C%28H%2C19%2C20%29, 28.9328994750977, 1.0, 0.0, 0.758466839790344, , 6.0, 1.0, 23.0, 12.0, 0.0, 12.0, -0.870899975299835, 3.0, 3.22000002861023, 38.0, 7.10400009155273
-InChI%3D1S%2FC25H38O5%2Fc1-6-25%284%2C5%2924%2828%2930-21-12-15%282%2911-17-8-7-16%283%2920%2823%2817%2921%2910-9-19-13-18%2826%2914-22%2827%2929-19%2Fh7-8%2C11%2C15-16%2C18-21%2C23%2C26H%2C6%2C9-10%2C12-14H2%2C1-5H3%2Ft15-%2C16-%2C18%2B%2C19%2B%2C20-%2C21-%2C23%3F%2Fm0%2Fs1, 111.456298828125, 0.0, 4.0, 1.1316704750061, , 4.0, 1.0, 32.0, 0.0, 8.0, 0.0, 1.06379997730255, 7.0, 3.66000008583069, 68.0, 4.77500009536743
-InChI%3D1S%2FC17H28N4O3S2%2Fc1-12%2816%285-6-22%2926-25-10-15-4-3-7-24-15%2921%2811-23%299-14-8-19-13%282%2920-17%2814%2918%2Fh8%2C15%2C22-23H%2C3-7%2C9-11H2%2C1-2H3%2C%28H2%2C18%2C19%2C20%29, 103.943397521973, 0.0, 5.0, 1.65353882312775, , 3.0, 5.0, 27.0, 0.0, 13.0, 0.0, -1.28589999675751, 10.0, 2.33999991416931, 58.0, 0.995000004768372
-InChI%3D1S%2FC17H19NO3%2Fc1-18-7-6-17-10-3-5-13%2820%2916%2817%2921-15-12%2819%294-2-9%2814%2815%2917%298-11%2810%2918%2Fh2%2C4%2C10-11%2C16%2C19H%2C3%2C5-8H2%2C1H3%2Ft10-%2C11%2B%2C16-%2C17%3F%2Fm0%2Fs1, 53.2988014221191, 0.0, 0.0, 1.05288124084473, , 8.0, 1.0, 25.0, 6.0, 0.0, 6.0, -1.02610003948212, 0.0, 2.89000010490417, 40.0, 0.907000005245209
-InChI%3D1S%2FC18H14Cl4N2O%2Fc19-13-2-1-12%2816%2821%297-13%2910-25-18%289-24-6-5-23-11-24%2915-4-3-14%2820%298-17%2815%2922%2Fh1-8%2C11%2C18H%2C9-10H2, 39.8017997741699, 0.0, 2.0, 7.89104270935059, , 6.0, 1.0, 27.0, 17.0, 4.0, 12.0, 2.80909991264343, 6.0, 2.67000007629395, 39.0, 4.91099977493286
-InChI%3D1S%2FC12H17ClO2%2Fc1-11%282%2C14%298-12%283%2C15%299-4-6-10%2813%297-5-9%2Fh4-7%2C14-15H%2C8H2%2C1-3H3, 37.4137001037598, 0.0, 5.0, 0.402971029281616, , 6.0, 2.0, 15.0, 6.0, 8.0, 6.0, 0.634800016880035, 3.0, 2.45000004768372, 32.0, 2.85199999809265
-InChI%3D1S%2FC17H20N4O6%2Fc1-7-3-9-10%284-8%287%292%2921%285-11%2823%2914%2825%2912%2824%296-22%2915-13%2818-9%2916%2826%2920-17%2827%2919-15%2Fh3-4%2C11-12%2C14%2C22-25H%2C5-6H2%2C1-2H3%2C%28H%2C20%2C26%2C27%29%2Ft11-%2C12%2B%2C14-%2Fm0%2Fs1, 69.3387985229492, 1.0, 5.0, 3.86672902107239, , 8.0, 8.0, 29.0, 6.0, 9.0, 6.0, -1.96640002727509, 5.0, 2.23000001907349, 53.0, -1.49899995326996
-InChI%3D1S%2FC17H13N3O5S2%2Fc21-15%2813-3-1-2-4-14%2813%2916%2822%2923%2919-11-5-7-12%288-6-11%2927%2824%2C25%2920-17-18-9-10-26-17%2Fh1-10H%2C%28H%2C18%2C20%29%28H%2C19%2C21%29%28H%2C22%2C23%29, 33.5959014892578, 0.0, 0.0, 1.48962020874023, , 27.0, 4.0, 29.0, 17.0, 4.0, 17.0, -1.22049999237061, 7.0, 2.23000001907349, 40.0, 3.04699993133545
-InChI%3D1S%2FC7H8O2%2Fc1-9-7-5-3-2-4-6%287%298%2Fh2-5%2C8H%2C1H3, 9.88039970397949, 0.0, 0.0, 0.262246400117874, , 8.0, 1.0, 9.0, 6.0, 2.0, 6.0, -0.512099981307983, 1.0, 2.00999999046326, 17.0, 1.38900005817413
-InChI%3D1S%2FC28H37FO7%2Fc1-6-23%2833%2935-15-22%2832%2928%2836-24%2834%297-2%2916%283%2912-20-19-9-8-17-13-18%2830%2910-11-25%2817%2C4%2927%2819%2C29%2921%2831%2914-26%2820%2C28%295%2Fh10-11%2C13%2C16%2C19-21%2C31H%2C6-9%2C12%2C14-15H2%2C1-5H3%2Ft16-%2C19-%2C20%3F%2C21-%2C25-%2C26-%2C27%3F%2C28-%2Fm0%2Fs1, 129.645294189453, 0.0, 3.0, 0.0011155599495396, , 6.0, 1.0, 39.0, 0.0, 8.0, 0.0, -0.0333999991416931, 8.0, 3.66000008583069, 73.0, 2.6949999332428
-InChI%3D1S%2FC13H18Br2N2O%2Fc14-9-5-8%2813%2816%2912%2815%296-9%297-17-10-1-3-11%2818%294-2-10%2Fh5-6%2C10-11%2C17-18H%2C1-4%2C7%2C16H2%2Ft10-%2C11-, 50.4393005371094, 0.0, 0.0, 1.1972736120224, , 7.0, 3.0, 19.0, 6.0, 2.0, 6.0, -1.09420001506805, 3.0, 2.33999991416931, 36.0, 2.5239999294281
-InChI%3D1S%2FC13H16N2O2%2Fc1-9%2816%2914-6-5-10-8-15-13-4-3-11%2817-2%297-12%2810%2913%2Fh3-4%2C7-8%2C15H%2C5-6H2%2C1-2H3%2C%28H%2C14%2C16%29, 30.1937999725342, 0.0, 2.0, 0.00648025004193187, , 8.0, 2.0, 18.0, 10.0, 6.0, 6.0, -0.0804999992251396, 4.0, 2.45000004768372, 32.0, 1.87199997901917
-InChI%3D1S%2FC18H36N4O11%2Fc19-2-6-10%2825%2912%2827%2913%2828%2918%2830-6%2933-16-5%2821%291-4%2820%2915%2814%2816%2929%2932-17-11%2826%298%2822%299%2824%297%283-23%2931-17%2Fh4-18%2C23-29H%2C1-3%2C19-22H2%2Ft4-%2C5%2B%2C6-%2C7%3F%2C8%2B%2C9-%2C10-%2C11-%2C12%2B%2C13%3F%2C14-%2C15%3F%2C16%3F%2C17%3F%2C18-%2Fm1%2Fs1, 104.180702209473, 2.0, 0.0, 56.1555404663086, , 0.0, 11.0, 35.0, 0.0, 2.0, 0.0, -7.49370002746582, 6.0, 1.78999996185303, 69.0, -5.48600006103516
-InChI%3D1S%2FC34H35N3O10%2Fc1-15-28%2838%2920%2835%2912-23%2846-15%2947-22-14-34%2844%2C16%282%2936-37-33%2843%2917-8-5-4-6-9-17%2913-19-25%2822%2932%2842%2927-26%2830%2819%2940%2929%2839%2918-10-7-11-21%2845-3%2924%2818%2931%2827%2941%2Fh4-11%2C15%2C20%2C22-23%2C28%2C38%2C40%2C42%2C44H%2C12-14%2C35H2%2C1-3H3%2C%28H%2C37%2C43%29%2Fb36-16%2B%2Ft15-%2C20-%2C22-%2C23-%2C28%2B%2C34-%2Fm0%2Fs1, 93.3191986083984, 1.0, 0.0, 13.4703683853149, , 19.0, 6.0, 52.0, 18.0, 6.0, 18.0, -3.67020010948181, 6.0, 3.76999998092651, 82.0, 2.89499998092651
-InChI%3D1S%2FC16H22N6O4%2Fc17-14%2824%2912-2-1-5-22%2812%2916%2826%2911%286-9-7-18-8-19-9%2921-15%2825%2910-3-4-13%2823%2920-10%2Fh7-8%2C10-12H%2C1-6H2%2C%28H2%2C17%2C24%29%28H%2C18%2C19%29%28H%2C20%2C23%29%28H%2C21%2C25%29%2Ft10-%2C11-%2C12-%2Fm0%2Fs1, 65.2871017456055, 0.0, 3.0, 3.65918636322021, , 3.0, 6.0, 28.0, 5.0, 7.0, 0.0, -1.9128999710083, 7.0, 2.11999988555908, 47.0, -0.638000011444092
-InChI%3D1S%2FC42H66O14%2Fc1-20-37%2849-6%2929%2843%2916-35%2851-20%2955-39-22%283%2953-36%2818-31%2839%2945%2956-38-21%282%2952-34%2817-30%2838%2944%2954-25-9-11-40%284%2924%2814-25%297-8-27-28%2840%2915-32%2846%2941%285%2926%2810-12-42%2827%2C41%2948%2923-13-33%2847%2950-19-23%2Fh13%2C20-22%2C24-32%2C34-39%2C43-46%2C48H%2C7-12%2C14-19H2%2C1-6H3%2Ft20-%2C21-%2C22-%2C24-%2C25%2B%2C26-%2C27%3F%2C28%2B%2C29%2B%2C30%3F%2C31%2B%2C32-%2C34%2B%2C35%2B%2C36%2B%2C37%3F%2C38%3F%2C39%3F%2C40%3F%2C41%3F%2C42%2B%2Fm1%2Fs1, 189.215194702148, 1.0, 0.0, 10.6909379959106, , 5.0, 5.0, 63.0, 0.0, 2.0, 0.0, -3.269700050354, 8.0, 4.53999996185303, 122.0, 2.26399993896484
-InChI%3D1S%2FC18H37N5O10%2Fc19-2-6-11%2826%2912%2827%299%2823%2917%2830-6%2932-15-4%2820%291-5%2821%2916%2814%2815%2929%2933-18-13%2828%298%2822%2910%2825%297%283-24%2931-18%2Fh4-18%2C24-29H%2C1-3%2C19-23H2%2Ft4-%2C5%2B%2C6%2B%2C7%3F%2C8-%2C9%3F%2C10%2B%2C11%2B%2C12%2B%2C13%2B%2C14-%2C15%3F%2C16%3F%2C17%2B%2C18%3F%2Fm0%2Fs1, 105.838203430176, 2.0, 0.0, 60.5797576904297, , 0.0, 11.0, 35.0, 0.0, 2.0, 0.0, -7.78329992294312, 6.0, 1.78999996185303, 70.0, -5.55299997329712
-InChI%3D1S%2FC34H57N2O4.BrH%2Fc1-23%2837%2939-31-20-25-12-13-26-27%2834%2825%2C4%2922-29%2831%2935-16-8-6-9-17-35%2914-15-33%283%2928%2826%2921-30%2832%2833%2940-24%282%2938%2936%285%2918-10-7-11-19-36%3B%2Fh25-32H%2C6-22H2%2C1-5H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft25-%2C26%3F%2C27-%2C28-%2C29%3F%2C30%3F%2C31-%2C32%3F%2C33-%2C34%3F%3B%2Fm0.%2Fs1, , 1.0, 2.0, , , 3.0, 0.0, 45.0, 0.0, 4.0, 0.0, , 6.0, 4.42999982833862, 98.0, 7.6269998550415
-InChI%3D1S%2FC17H27NO4%2Fc1-17%282%2C3%2918-9-12%2819%2910-22-16-6-4-5-11-7-14%2820%2915%2821%298-13%2811%2916%2Fh4-6%2C12%2C14-15%2C18-21H%2C7-10H2%2C1-3H3%2Ft12%3F%2C14-%2C15%2B%2Fm1%2Fs1, 61.4622993469238, 0.0, 3.0, 0.855624973773956, , 7.0, 4.0, 23.0, 6.0, 10.0, 6.0, -0.925000011920929, 6.0, 2.77999997138977, 49.0, 1.77400004863739
-InChI%3D1S%2FC21H29NO%2Fc23-21%2819-7-3-1-4-8-19%2C13-16-22-14-5-2-6-15-22%2920-11-9-18%2817-20%2910-12-20%2Fh1%2C3-4%2C7-9%2C11%2C18%2C23H%2C2%2C5-6%2C10%2C12-17H2, 63.3623008728027, 1.0, 3.0, 2.01100754737854, , 6.0, 1.0, 26.0, 6.0, 4.0, 6.0, -1.4180999994278, 5.0, 3.54999995231628, 52.0, 5.23600006103516
-InChI%3D1S%2FC11H17BrN.C7H8O3S%2Fc1-4-13%282%2C3%299-10-7-5-6-8-11%2810%2912%3B1-6-2-4-7%285-3-6%2911%288%2C9%2910%2Fh5-8H%2C4%2C9H2%2C1-3H3%3B2-5H%2C1H3%2C%28H%2C8%2C9%2C10%29%2Fq%2B1%3B%2Fp-1, 48.8389015197754, 0.0, 2.0, 0.317532241344452, , 10.0, 0.0, 24.0, 12.0, 6.0, 12.0, -0.563499987125397, 4.0, 2.77999997138977, 48.0, 4.76399993896484
-InChI%3D1S%2FC30H46NO7P%2Fc1-4-28%2833%2937-30%2822%282%293%2938-39%2836%2C18-12-11-15-23-13-7-5-8-14-23%2921-27%2832%2931-20-25%2819-26%2831%2929%2834%2935%2924-16-9-6-10-17-24%2Fh5%2C7-8%2C13-14%2C22%2C24-26%2C30H%2C4%2C6%2C9-12%2C15-21H2%2C1-3H3%2C%28H%2C34%2C35%29%2Ft25-%2C26%2B%2C30%3F%2C39%3F%2Fm1%2Fs1, 105.54460144043, 2.0, 4.0, 5.10895586013794, , 6.0, 1.0, 41.0, 6.0, 19.0, 6.0, -2.26029992103577, 16.0, 3.76999998092651, 85.0, 8.34000015258789
-InChI%3D1S%2FC14H16N2O2%2Fc1-3-18-14%2817%2913-9-15-10-16%2813%2911%282%2912-7-5-4-6-8-12%2Fh4-11H%2C3H2%2C1-2H3, 28.4768009185791, 0.0, 2.0, 0.07601048797369, , 8.0, 1.0, 19.0, 11.0, 5.0, 11.0, 0.275700002908707, 5.0, 2.55999994277954, 34.0, 3.86700010299683
-InChI%3D1S%2FC9H11NO2%2Fc1-2-12-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3, 20.5042991638184, 0.0, 2.0, 0.23843689262867, , 10.0, 1.0, 12.0, 6.0, 5.0, 6.0, -0.488299995660782, 3.0, 2.11999988555908, 23.0, 1.74699997901917
-InChI%3D1S%2FC11H17N3O3S%2Fc1-2-3-8-13-11%2815%2914-18%2816%2C17%2910-6-4-9%2812%295-7-10%2Fh4-7H%2C2-3%2C8%2C12H2%2C1H3%2C%28H2%2C13%2C14%2C15%29, 40.0885009765625, 0.0, 4.0, 3.94777154922485, , 14.0, 3.0, 18.0, 6.0, 11.0, 6.0, -1.98689997196198, 6.0, 1.89999997615814, 35.0, 1.7960000038147
-InChI%3D1S%2FC20H28O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C12%2C14-18%2C21-22H%2C4-11H2%2C2H3%2Ft14-%2C15%3F%2C16%2B%2C17%3F%2C18-%2C19%3F%2C20-%2Fm0%2Fs1, 83.4682006835938, 0.0, 2.0, 0.237558767199516, , 2.0, 2.0, 25.0, 0.0, 2.0, 0.0, 0.487399995326996, 0.0, 3.44000005722046, 50.0, 3.51699995994568
-InChI%3D1S%2FC26H30Cl2F3NO%2Fc1-3-5-10-32%2811-6-4-2%2912-9-25%2833%2923-16-22-21%2814-18%2827%2915-24%2822%2928%2920-13-17%2826%2829%2C30%2931%297-8-19%2820%2923%2Fh7-8%2C13-16%2C25%2C33H%2C3-6%2C9-12H2%2C1-2H3, 67.0183029174805, 2.0, 4.0, 0.618739545345306, , 14.0, 1.0, 35.0, 16.0, 13.0, 14.0, 0.78659999370575, 11.0, 3.54999995231628, 63.0, 8.51599979400635
-InChI%3D1S%2FC12H13Cl2N3%2Fc1-2-8-17%2812-15-6-7-16-12%2911-9%2813%294-3-5-10%2811%2914%2Fh2-5H%2C1%2C6-8H2%2C%28H%2C15%2C16%29, 46.5279006958008, 0.0, 3.0, 2.36298394203186, , 10.0, 1.0, 18.0, 6.0, 4.0, 6.0, 1.53719997406006, 4.0, 2.23000001907349, 30.0, 3.57399988174438
-InChI%3D1S%2FC20H27N5O3%2Fc1-4-24%2812-13-26%2910-11-25-16%2814-15-8-6-5-7-9-15%2921-18-17%2825%2919%2827%2923%283%2920%2828%2922%2818%292%2Fh5-9%2C26H%2C4%2C10-14H2%2C1-3H3, 68.3427963256836, 0.0, 2.0, 0.269360989332199, , 6.0, 2.0, 30.0, 11.0, 8.0, 6.0, -0.518999993801117, 8.0, 2.77999997138977, 55.0, 2.73900008201599
-InChI%3D1S%2FC19H27NO%2Fc1-13%282%297-9-20-10-8-19%284%2914%283%2918%2820%2911-15-5-6-16%2821%2912-17%2815%2919%2Fh5-7%2C12%2C14%2C18%2C21H%2C8-11H2%2C1-4H3%2Ft14-%2C18%2B%2C19%3F%2Fm0%2Fs1, 64.3627014160156, 0.0, 4.0, 3.25983023643494, , 7.0, 1.0, 23.0, 6.0, 5.0, 6.0, 1.80550003051758, 2.0, 3.32999992370605, 48.0, 4.09100008010864
-InChI%3D1S%2FC15H10Cl2N2O2%2Fc16-8-5-6-12-10%287-8%2913%2819-15%2821%2914%2820%2918-12%299-3-1-2-4-11%289%2917%2Fh1-7%2C15%2C21H%2C%28H%2C18%2C20%29, 32.0710983276367, 0.0, 0.0, 0.957853674888611, , 17.0, 2.0, 23.0, 12.0, 0.0, 12.0, 0.97869998216629, 1.0, 2.45000004768372, 31.0, 4.03900003433228
-InChI%3D1S%2FC19H22N2OS%2Fc1-14%2822%2915-9-10-19-17%2813-15%2921%2812-6-11-20%282%293%2916-7-4-5-8-18%2816%2923-19%2Fh4-5%2C7-10%2C13H%2C6%2C11-12H2%2C1-3H3, 48.089298248291, 0.0, 3.0, 0.091748408973217, , 15.0, 0.0, 25.0, 12.0, 6.0, 12.0, 0.302899986505508, 5.0, 3.10999989509583, 45.0, 3.86299991607666
-InChI%3D1S%2FC29H55N5O18%2Fc30-3-11-23%2851-28-20%2843%2919%2842%2917%2840%2913%285-36%2947-28%2918%2841%2915%2834%2927%2845-11%2950-24-14%286-37%2948-29%2821%2824%2944%2952-25-16%2839%297%2831%291-8%2832%2922%2825%2949-26-9%2833%292-10%2838%2912%284-35%2946-26%2Fh7-29%2C35-44H%2C1-6%2C30-34H2%2Ft7%3F%2C8%3F%2C9-%2C10%2B%2C11%3F%2C12%2B%2C13%2B%2C14%3F%2C15%3F%2C16-%2C17%2B%2C18%2B%2C19-%2C20-%2C21-%2C22%2B%2C23%2B%2C24-%2C25%3F%2C26%3F%2C27%2B%2C28%3F%2C29%3F%2Fm1%2Fs1, 161.651397705078, 3.0, 0.0, 111.169609069824, , 0.0, 15.0, 56.0, 0.0, 2.0, 0.0, -10.5437002182007, 12.0, 2.11999988555908, 107.0, -8.64099979400635
-InChI%3D1S%2FC6H12O6%2Fc7-2-6%2811%295%2810%294%289%293%288%291-12-6%2Fh3-5%2C7-11H%2C1-2H2%2Ft3-%2C4-%2C5%3F%2C6-%2Fm1%2Fs1, 36.3608016967773, 0.0, 0.0, 6.57204484939575, , 0.0, 5.0, 12.0, 0.0, 2.0, 0.0, -2.56360006332397, 1.0, 1.46000003814697, 24.0, -1.74000000953674
-InChI%3D1S%2FC18H37N5O8%2Fc19-4-6-1-2-7%2820%2917%2828-6%2930-15-8%2821%293-9%2822%2916%2814%2815%2927%2931-18-13%2826%2911%2823%2912%2825%2910%285-24%2929-18%2Fh6-18%2C24-27H%2C1-5%2C19-23H2%2Ft6-%2C7%3F%2C8-%2C9%2B%2C10%2B%2C11-%2C12%2B%2C13%2B%2C14-%2C15%3F%2C16-%2C17%2B%2C18%3F%2Fm0%2Fs1, 99.7363967895508, 2.0, 0.0, 53.8447761535645, , 0.0, 9.0, 33.0, 0.0, 2.0, 0.0, -7.33790016174316, 6.0, 2.00999999046326, 68.0, -4.78000020980835
-InChI%3D1S%2FC9H13N%2Fc1-8%2810%297-9-5-3-2-4-6-9%2Fh2-6%2C8H%2C7%2C10H2%2C1H3%2Ft8-%2Fm0%2Fs1, 18.3840999603271, 0.0, 3.0, 0.4714195728302, , 6.0, 1.0, 10.0, 6.0, 4.0, 6.0, -0.686600029468536, 2.0, 2.33999991416931, 23.0, 3.58200001716614
-InChI%3D1S%2FC12H18N2O3S%2Fc1-3-4-9-13-12%2815%2914-18%2816%2C17%2911-7-5-10%282%296-8-11%2Fh5-8H%2C3-4%2C9H2%2C1-2H3%2C%28H2%2C13%2C14%2C15%29, 41.3684997558594, 0.0, 4.0, 0.35402500629425, , 13.0, 2.0, 18.0, 6.0, 11.0, 6.0, -0.595000028610229, 6.0, 2.11999988555908, 36.0, 3.35999989509583
-InChI%3D1S%2FC18H16O3%2Fc1-2-13%2812-8-4-3-5-9-12%2916-17%2819%2914-10-6-7-11-15%2814%2921-18%2816%2920%2Fh3-11%2C13%2C19H%2C2H2%2C1H3, 28.2590007781982, 1.0, 3.0, 1.03530621528625, , 9.0, 1.0, 23.0, 12.0, 3.0, 12.0, -1.01750004291534, 3.0, 3.10999989509583, 39.0, 6.26700019836426
-InChI%3D1S%2FC11H15NO%2Fc1-9-11%2813-8-7-12-9%2910-5-3-2-4-6-10%2Fh2-6%2C9%2C11-12H%2C7-8H2%2C1H3, 27.0380001068115, 0.0, 0.0, 0.360960632562637, , 6.0, 1.0, 14.0, 6.0, 0.0, 6.0, -0.600799977779388, 1.0, 2.45000004768372, 28.0, 2.8289999961853
-InChI%3D1S%2FC12H22O11%2Fc13-1-3-5%2815%296%2816%299%2819%2912%2822-3%2923-10-4%282-14%2921-11%2820%298%2818%297%2810%2917%2Fh3-20H%2C1-2H2%2Ft3-%2C4-%2C5%2B%2C6%2B%2C7-%2C8-%2C9-%2C10%3F%2C11-%2C12%3F%2Fm1%2Fs1, 68.3367004394531, 2.0, 0.0, 18.1501560211182, , 0.0, 8.0, 24.0, 0.0, 2.0, 0.0, -4.26030015945435, 4.0, 1.57000005245209, 45.0, -3.66300010681152
-InChI%3D1S%2FC18H19N3O6S%2Fc1-9%2822%2927-7-11-8-28-17-13%2816%2824%2921%2817%2914%2811%2918%2825%2926%2920-15%2823%2912%2819%2910-5-3-2-4-6-10%2Fh2-6%2C12-13%2C17H%2C7-8%2C19H2%2C1H3%2C%28H%2C20%2C23%29%28H%2C25%2C26%29%2Ft12-%2C13-%2C17-%2Fm1%2Fs1, 74.5426025390625, 0.0, 2.0, 2.34120607376099, , 8.0, 3.0, 30.0, 6.0, 5.0, 6.0, -1.5300999879837, 7.0, 2.33999991416931, 47.0, -1.30200004577637
-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, 36.617000579834, 0.0, 0.0, 2.04661631584167, , 9.0, 2.0, 28.0, 12.0, 0.0, 12.0, -1.43060004711151, 2.0, 2.89000010490417, 41.0, 2.73000001907349
-InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3, 44.9238014221191, 0.0, 0.0, 0.430729687213898, , 0.0, 1.0, 11.0, 0.0, 2.0, 0.0, 0.656300008296967, 1.0, 2.45000004768372, 31.0, 3.21099996566772
-InChI%3D1S%2FC9H18N2O4%2Fc1-3-4-9%282%2C5-14-7%2810%2912%296-15-8%2811%2913%2Fh3-6H2%2C1-2H3%2C%28H2%2C10%2C12%29%28H2%2C11%2C13%29, 50.878101348877, 0.0, 5.0, 1.12254023551941, , 4.0, 4.0, 14.0, 0.0, 15.0, 0.0, 1.05949997901917, 8.0, 1.78999996185303, 33.0, 2.97199988365173
-InChI%3D1S%2FC22H29NO2%2Fc1-5-21%2824%2925-22%2818%282%2917-23%283%294%2C20-14-10-7-11-15-20%2916-19-12-8-6-9-13-19%2Fh6-15%2C18H%2C5%2C16-17H2%2C1-4H3%2Ft18-%2C22%2B%2Fm0%2Fs1, 51.3361015319824, 1.0, 4.0, 0.155314803123474, , 6.0, 0.0, 26.0, 12.0, 13.0, 12.0, 0.39410001039505, 9.0, 3.54999995231628, 54.0, 7.62900018692017
-InChI%3D1S%2FC9H9Cl2N3%2Fc10-6-2-1-3-7%2811%298%286%2914-9-12-4-5-13-9%2Fh1-3H%2C4-5H2%2C%28H2%2C12%2C13%2C14%29, 31.6685009002686, 0.0, 0.0, 0.669287621974945, , 10.0, 2.0, 15.0, 6.0, 0.0, 6.0, 0.818099975585938, 2.0, 1.89999997615814, 23.0, 2.39599990844727
-InChI%3D1S%2FC14H18N2O%2Fc1-10%282%2913-11%283%2915%284%2916%2814%2813%2917%2912-8-6-5-7-9-12%2Fh5-10H%2C1-4H3, 43.2221984863281, 0.0, 0.0, 0.00813603959977627, , 10.0, 0.0, 18.0, 6.0, 2.0, 6.0, -0.0901999995112419, 2.0, 2.67000007629395, 37.0, 3.37800002098083
-InChI%3D1S%2FC13H14ClNO2%2Fc1-9%2813%2816%2917%2910-4-5-12%2811%2814%298-10%2915-6-2-3-7-15%2Fh2-5%2C8-9H%2C6-7H2%2C1H3%2C%28H%2C16%2C17%29, 44.8300018310547, 0.0, 3.0, 1.69911229610443, , 7.0, 1.0, 18.0, 6.0, 5.0, 6.0, 1.30350005626678, 3.0, 2.45000004768372, 31.0, 2.40300011634827
-InChI%3D1S%2FC20H26N4O%2Fc1-4-24%285-2%2920%2825%2922-14-10-16-15-7-6-8-17-19%2815%2913%2811-21-17%299-18%2816%2923%283%2912-14%2Fh6-8%2C10-11%2C14%2C18%2C21H%2C4-5%2C9%2C12H2%2C1-3H3%2C%28H%2C22%2C25%29%2Ft14-%2C18%2B%2Fm0%2Fs1, 64.9317016601562, 0.0, 2.0, 0.773872077465057, , 9.0, 2.0, 28.0, 10.0, 8.0, 6.0, 0.879700005054474, 4.0, 3.10999989509583, 50.0, 3.21700000762939
-InChI%3D1S%2FC23H36N2O2%2Fc1-21%282%2C3%2925-20%2827%2917-8-7-15-14-6-9-18-23%285%2C13-11-19%2826%2924-18%2916%2814%2910-12-22%2815%2C17%294%2Fh11%2C13-18H%2C6-10%2C12H2%2C1-5H3%2C%28H%2C24%2C26%29%28H%2C25%2C27%29%2Ft14%3F%2C15%3F%2C16-%2C17%2B%2C18%2B%2C22-%2C23%2B%2Fm0%2Fs1, 105.400901794434, 1.0, 0.0, 3.57512474060059, , 5.0, 2.0, 30.0, 0.0, 7.0, 0.0, 1.89079999923706, 2.0, 3.54999995231628, 63.0, 5.31099987030029
-InChI%3D1S%2FC27H29NO11%2Fc1-10-22%2831%2913%2828%296-17%2838-10%2939-15-8-27%2836%2C16%2830%299-29%297-12-19%2815%2926%2835%2921-20%2824%2812%2933%2923%2832%2911-4-3-5-14%2837-2%2918%2811%2925%2821%2934%2Fh3-5%2C10%2C13%2C15%2C17%2C22%2C29%2C31%2C33%2C35-36H%2C6-9%2C28H2%2C1-2H3%2Ft10-%2C13-%2C15-%2C17-%2C22%2B%2C27-%2Fm0%2Fs1, 85.2879028320312, 1.0, 2.0, 19.5257930755615, , 19.0, 6.0, 43.0, 12.0, 4.0, 12.0, -4.41879987716675, 5.0, 3.10999989509583, 68.0, -1.67900002002716
-InChI%3D1S%2FC13H10N2O4%2Fc16-10-6-5-9%2811%2817%2914-10%2915-12%2818%297-3-1-2-4-8%287%2913%2815%2919%2Fh1-4%2C9H%2C5-6H2%2C%28H%2C14%2C16%2C17%29, 36.3844985961914, 0.0, 0.0, 4.07999610900879, , 11.0, 1.0, 21.0, 6.0, 0.0, 6.0, -2.01990008354187, 1.0, 2.23000001907349, 29.0, 1.35500001907349
-InChI%3D1S%2FC20H28N2O5%2Fc1-3-27-20%2826%2916%2812-11-15-8-5-4-6-9-15%2921-14%282%2918%2823%2922-13-7-10-17%2822%2919%2824%2925%2Fh4-6%2C8-9%2C14%2C16-17%2C21H%2C3%2C7%2C10-13H2%2C1-2H3%2C%28H%2C24%2C25%29%2Ft14-%2C16-%2C17-%2Fm0%2Fs1, 68.4225006103516, 1.0, 4.0, 5.03284358978271, , 6.0, 2.0, 28.0, 6.0, 13.0, 6.0, -2.24340009689331, 11.0, 2.89000010490417, 55.0, 4.14099979400635
-InChI%3D1S%2FC8H18NO2.ClH%2Fc1-7%2811-8%282%2910%296-9%283%2C4%295%3B%2Fh7H%2C6H2%2C1-5H3%3B1H%2Fq%2B1%3B%2Fp-1, , 0.0, 3.0, , , 3.0, 0.0, 10.0, 0.0, 11.0, 0.0, , 4.0, 1.89999997615814, 30.0, 0.875
-InChI%3D1S%2FC17H14Cl2N2O2%2Fc18-11-5-6-15-13%287-11%2917%2812-3-1-2-4-14%2812%2919%299-23-10-21%2817%298-16%2822%2920-15%2Fh1-7H%2C8-10H2%2C%28H%2C20%2C22%29, 40.0358009338379, 0.0, 0.0, 0.634412229061127, , 9.0, 1.0, 26.0, 12.0, 0.0, 12.0, 0.796500027179718, 1.0, 2.67000007629395, 37.0, 4.0789999961853
-InChI%3D1S%2FC8H11N5O3%2Fc9-8-11-6-5%287%2815%2912-8%2910-3-13%286%294-16-2-1-14%2Fh3%2C14H%2C1-2%2C4H2%2C%28H3%2C9%2C11%2C12%2C15%29, 37.6818008422852, 0.0, 2.0, 1.87717401981354, , 4.0, 6.0, 17.0, 5.0, 5.0, 0.0, -1.3701000213623, 4.0, 1.46000003814697, 29.0, -0.986999988555908
-InChI%3D1S%2FC5H10O5%2Fc6-2-1-10-5%289%294%288%293%282%297%2Fh2-9H%2C1H2%2Ft2%3F%2C3-%2C4%2B%2C5%3F%2Fm0%2Fs1, 29.9608993530273, 0.0, 0.0, 4.01080751419067, , 0.0, 4.0, 10.0, 0.0, 0.0, 0.0, -2.00270009040833, 0.0, 1.46000003814697, 20.0, -1.4539999961853
-InChI%3D1S%2FC26H28ClNO%2Fc1-28%282%2919-20-29-24-15-13-23%2814-16-24%2926%2822-11-7-4-8-12-22%2925%2817-18-27%2921-9-5-3-6-10-21%2Fh3-16H%2C17-20H2%2C1-2H3, 47.9929008483887, 1.0, 4.0, 1.38062500953674, , 21.0, 0.0, 31.0, 18.0, 6.0, 18.0, 1.17499995231628, 9.0, 3.99000000953674, 57.0, 10.4650001525879
-InChI%3D1S%2FC25H32ClN5O2%2Fc1-2-24-27-31%2825%2832%2930%2824%2918-19-33-23-10-4-3-5-11-23%2913-7-12-28-14-16-29%2817-15-28%2922-9-6-8-21%2826%2920-22%2Fh3-6%2C8-11%2C20H%2C2%2C7%2C12-19H2%2C1H3, 78.8703002929688, 1.0, 3.0, 0.534653425216675, , 7.0, 1.0, 36.0, 12.0, 3.0, 12.0, -0.731199979782104, 10.0, 3.32999992370605, 67.0, 5.40000009536743
-InChI%3D1S%2FC4H6N4O12%2Fc9-5%2810%2917-1-3%2819-7%2813%2914%294%2820-8%2815%2916%292-18-6%2811%2912%2Fh3-4H%2C1-2H2%2Ft3-%2C4%2B, 33.1641998291016, 1.0, 4.0, 0.018063360825181, , 4.0, 0.0, 19.0, 0.0, 20.0, 0.0, -0.134399995207787, 11.0, 0.140000000596046, 26.0, 1.25600004196167
-InChI%3D1S%2FC18H17ClN2O2%2Fc1-12-10-21-11-17%2822%2920-16-8-7-14%2819%299-15%2816%2918%2821%2C23-12%2913-5-3-2-4-6-13%2Fh2-9%2C12H%2C10-11H2%2C1H3%2C%28H%2C20%2C22%29%2Ft12-%2C18%2B%2Fm1%2Fs1, 39.4804992675781, 0.0, 0.0, 0.124256253242493, , 9.0, 1.0, 26.0, 12.0, 0.0, 12.0, 0.35249999165535, 1.0, 2.89000010490417, 40.0, 4.86499977111816
-InChI%3D1S%2FC12H17N3O4S%2Fc1-6%2816%299-7-4-8%2820-3-2-14-5-13%2910%2812%2818%2919%2915%287%2911%289%2917%2Fh5-7%2C9%2C16H%2C2-4H2%2C1H3%2C%28H2%2C13%2C14%29%28H%2C18%2C19%29%2Ft6-%2C7-%2C9-%2Fm1%2Fs1, 74.236198425293, 0.0, 2.0, 2.66016101837158, , 8.0, 4.0, 21.0, 0.0, 6.0, 0.0, -1.63100004196167, 7.0, 1.89999997615814, 37.0, -0.193000003695488
-InChI%3D1S%2FC20H24N2%2Fc1-15%2819-10-6-7-12-21-19%2920-17%2811-13-22%282%293%2914-16-8-4-5-9-18%2816%2920%2Fh4-10%2C12%2C15H%2C11%2C13-14H2%2C1-3H3, 44.470100402832, 1.0, 2.0, 1.3252614736557, , 8.0, 0.0, 24.0, 12.0, 5.0, 12.0, 1.15120005607605, 5.0, 3.44000005722046, 46.0, 5.13700008392334
-InChI%3D1S%2FC24H32O6%2Fc1-13-9-16-17-6-8-24%2829%2C20%2828%2912-30-14%282%2925%2923%2817%2C4%2911-19%2827%2921%2816%2922%283%297-5-15%2826%2910-18%2813%2922%2Fh5%2C7%2C10%2C13%2C16-17%2C19%2C21%2C27%2C29H%2C6%2C8-9%2C11-12H2%2C1-4H3%2Ft13-%2C16%3F%2C17-%2C19-%2C21%2B%2C22%3F%2C23%3F%2C24-%2Fm0%2Fs1, 110.430603027344, 0.0, 2.0, 0.360960632562637, , 6.0, 2.0, 33.0, 0.0, 7.0, 0.0, -0.600799977779388, 4.0, 3.44000005722046, 62.0, 1.83599996566772
-InChI%3D1S%2FC23H29ClFN3O4%2Fc1-30-21-13-19%2826%2918%2824%2912-17%2821%2923%2829%2927-20-8-10-28%2814-22%2820%2931-2%299-3-11-32-16-6-4-15%2825%295-7-16%2Fh4-7%2C12-13%2C20%2C22H%2C3%2C8-11%2C14%2C26H2%2C1-2H3%2C%28H%2C27%2C29%29, 69.7097015380859, 0.0, 3.0, 0.353430241346359, , 11.0, 2.0, 34.0, 12.0, 4.0, 12.0, -0.594500005245209, 9.0, 3.0, 61.0, 3.27300000190735
-InChI%3D1S%2FC15H14F3N3O4S2%2Fc16-15%2817%2C18%2910-7-11-13%288-12%2810%2926%2819%2C22%2923%2927%2824%2C25%2921-14%2820-11%296-9-4-2-1-3-5-9%2Fh1-5%2C7-8%2C14%2C20-21H%2C6H2%2C%28H2%2C19%2C22%2C23%29, 39.6470985412598, 0.0, 0.0, 0.652056276798248, , 15.0, 3.0, 29.0, 12.0, 4.0, 12.0, -0.807500004768372, 4.0, 1.78999996185303, 41.0, 3.48000001907349
-InChI%3D1S%2FC14H10O5%2Fc15-11-7-3-1-5-9%2811%2914%2818%2919-12-8-4-2-6-10%2812%2913%2816%2917%2Fh1-8%2C15H%2C%28H%2C16%2C17%29, 16.0755996704102, 0.0, 0.0, 0.625997424125671, , 19.0, 2.0, 20.0, 12.0, 3.0, 12.0, -0.79119998216629, 4.0, 2.45000004768372, 29.0, 3.81100010871887
-InChI%3D1S%2FC10H15N%2Fc1-10%282%2C11%298-9-6-4-3-5-7-9%2Fh3-7H%2C8%2C11H2%2C1-2H3, 22.7446994781494, 0.0, 3.0, 0.0273571591824293, , 6.0, 1.0, 11.0, 6.0, 5.0, 6.0, 0.165399998426437, 2.0, 2.45000004768372, 26.0, 3.99900007247925
-InChI%3D1S%2FC6H11IO3%2Fc7-2-1-6-9-4-5%283-8%2910-6%2Fh5-6%2C8H%2C1-4H2, 43.3726005554199, 0.0, 2.0, 0.230592042207718, , 0.0, 1.0, 10.0, 0.0, 3.0, 0.0, 0.480199992656708, 3.0, 1.67999994754791, 21.0, 0.782999992370605
-InChI%3D1S%2FC10H13FN5O7P%2Fc11-10-14-7%2812%294-8%2815-10%2916%282-13-4%299-6%2818%295%2817%293%2823-9%291-22-24%2819%2C20%2921%2Fh2-3%2C5-6%2C9%2C17-18H%2C1H2%2C%28H2%2C12%2C14%2C15%29%28H2%2C19%2C20%2C21%29%2Ft3%3F%2C5-%2C6%2B%2C9%3F%2Fm1%2Fs1, 45.9729995727539, 1.0, 0.0, 4.46054410934448, , 9.0, 6.0, 26.0, 10.0, 6.0, 6.0, -2.11199998855591, 4.0, 1.01999998092651, 37.0, -3.08800005912781
-InChI%3D1S%2FC14H19NO5%2Fc1-17-11-8-10%289-12%2818-2%2913%2811%2919-3%2914%2816%2915-4-6-20-7-5-15%2Fh8-9H%2C4-7H2%2C1-3H3, 49.8568000793457, 0.0, 0.0, 0.806224405765533, , 12.0, 0.0, 21.0, 6.0, 2.0, 6.0, -0.897899985313416, 5.0, 2.33999991416931, 39.0, 0.232999995350838
-InChI%3D1S%2FC2H4Cl3O4P%2Fc3-2%284%2C5%291-9-10%286%2C7%298%2Fh1H2%2C%28H2%2C6%2C7%2C8%29, 38.5150985717773, 0.0, 2.0, 1.69963371753693, , 5.0, 2.0, 9.0, 0.0, 10.0, 0.0, 1.30369997024536, 3.0, 0.800000011920929, 14.0, 0.108000002801418
-InChI%3D1S%2FC14H10F3NO2%2Fc15-14%2816%2C17%299-4-3-5-10%288-9%2918-12-7-2-1-6-11%2812%2913%2819%2920%2Fh1-8%2C18H%2C%28H%2C19%2C20%29, 16.9538993835449, 1.0, 0.0, 0.191756412386894, , 16.0, 2.0, 21.0, 12.0, 3.0, 12.0, 0.437900006771088, 4.0, 2.33999991416931, 30.0, 5.47900009155273
-InChI%3D1S%2FC10H13ClN2O3S%2Fc1-2-7-12-10%2814%2913-17%2815%2C16%299-5-3-8%2811%294-6-9%2Fh3-6H%2C2%2C7H2%2C1H3%2C%28H2%2C12%2C13%2C14%29, 38.5704002380371, 0.0, 3.0, 0.0419020913541317, , 13.0, 2.0, 17.0, 6.0, 10.0, 6.0, -0.204699993133545, 5.0, 1.78999996185303, 30.0, 2.3529999256134
-InChI%3D1S%2FC2H5NO2%2Fc3-1-2%284%295%2Fh1%2C3H2%2C%28H%2C4%2C5%29, 16.0034008026123, 0.0, 2.0, 1.41967225074768, , 3.0, 2.0, 4.0, 0.0, 5.0, 0.0, -1.19149994850159, 1.0, 1.35000002384186, 10.0, -3.34999990463257
-InChI%3D1S%2FC20H25NO2S2%2Fc1-14-7-11-24-18%2814%2917%2819-15%282%298-12-25-19%296-4-10-21-9-3-5-16%2813-21%2920%2822%2923%2Fh6-8%2C11-12%2C16H%2C3-5%2C9-10%2C13H2%2C1-2H3%2C%28H%2C22%2C23%29%2Ft16-%2Fm1%2Fs1, 73.840202331543, 0.0, 4.0, 4.32848024368286, , 12.0, 1.0, 27.0, 10.0, 4.0, 10.0, 2.08049988746643, 6.0, 3.10999989509583, 50.0, 4.01200008392334
-InChI%3D1S%2FC17H19NO4%2Fc1-18-7-6-16-13-9-2-3-10%2819%2914%2813%2922-15%2816%2911%2820%294-5-17%2816%2C21%2912%2818%298-9%2Fh2-3%2C12%2C15%2C19%2C21H%2C4-8H2%2C1H3%2Ft12-%2C15%2B%2C16%2B%2C17-%2Fm1%2Fs1, 55.3636016845703, 0.0, 0.0, 2.14681100845337, , 8.0, 2.0, 26.0, 6.0, 0.0, 6.0, -1.46519994735718, 0.0, 2.77999997138977, 41.0, -0.00300000002607703
-InChI%3D1S%2FC20H33N2O.CH4O4S%2Fc1-22%282%2915-13-21%2814-16-22%2917-20%2823%2C18-9-5-3-6-10-18%2919-11-7-4-8-12-19%3B1-5-6%282%2C3%294%2Fh3%2C5-6%2C9-10%2C19%2C23H%2C4%2C7-8%2C11-17H2%2C1-2H3%3B1H3%2C%28H%2C2%2C3%2C4%29%2Fq%2B1%3B%2Fp-1, 78.8497009277344, 0.0, 2.0, 13.3721866607666, , 6.0, 1.0, 30.0, 6.0, 6.0, 6.0, -3.65680003166199, 5.0, 2.89000010490417, 65.0, 2.39400005340576
-InChI%3D1S%2FC8H8N4%2Fc9-11-8-7-4-2-1-3-6%287%295-10-12-8%2Fh1-5H%2C9H2%2C%28H%2C11%2C12%29, 21.9948997497559, 0.0, 0.0, 2.19306492805481, , 11.0, 3.0, 13.0, 6.0, 2.0, 6.0, -1.48090004920959, 0.0, 1.89999997615814, 22.0, 1.80900001525879
-InChI%3D1S%2FC22H24ClN3O%2Fc1-25-13-4-5-18%2812-14-25%2926-22%2827%2920-7-3-2-6-19%2820%2921%2824-26%2915-16-8-10-17%2823%2911-9-16%2Fh2-3%2C6-11%2C18H%2C4-5%2C12-15H2%2C1H3, 54.7722015380859, 1.0, 0.0, 1.15476512908936, , 10.0, 1.0, 30.0, 12.0, 0.0, 12.0, -1.07459998130798, 3.0, 3.32999992370605, 53.0, 5.77199983596802
-InChI%3D1S%2FC12H15ClO3%2Fc1-4-15-11%2814%2912%282%2C3%2916-10-7-5-9%2813%296-8-10%2Fh5-8H%2C4H2%2C1-3H3, 37.2849006652832, 0.0, 3.0, 2.09062671661377, , 7.0, 0.0, 16.0, 6.0, 9.0, 6.0, 1.44589996337891, 5.0, 2.33999991416931, 31.0, 3.21000003814697
-InChI%3D1S%2FC12H10N2O5%2Fc1-2-14-7-4-9-8%2818-5-19-9%293-6%287%2911%2815%2910%2813-14%2912%2816%2917%2Fh3-4H%2C2%2C5H2%2C1H3%2C%28H%2C16%2C17%29, 39.548698425293, 0.0, 2.0, 1.03612041473389, , 12.0, 1.0, 21.0, 6.0, 2.0, 6.0, -1.01789999008179, 2.0, 2.00999999046326, 31.0, 0.680999994277954
-InChI%3D1S%2FC8H12N4O5%2Fc9-6%2816%297-10-2-12%2811-7%298-5%2815%294%2814%293%281-13%2917-8%2Fh2-5%2C8%2C13-15H%2C1H2%2C%28H2%2C9%2C16%29%2Ft3%3F%2C4-%2C5-%2C8-%2Fm1%2Fs1, 37.7358016967773, 0.0, 0.0, 4.68289613723755, , 3.0, 6.0, 18.0, 5.0, 2.0, 0.0, -2.16400003433228, 3.0, 1.35000002384186, 29.0, -3.04399991035461
-InChI%3D1S%2FC28H38O7%2Fc1-5-6-7-24%2833%2935-28%2823%2832%2916-34-17%282%2929%2913-11-21-20-9-8-18-14-19%2830%2910-12-26%2818%2C3%2925%2820%2922%2831%2915-27%2821%2C28%294%2Fh10%2C12%2C14%2C20-22%2C25%2C31H%2C5-9%2C11%2C13%2C15-16H2%2C1-4H3%2Ft20%3F%2C21-%2C22-%2C25%2B%2C26-%2C27-%2C28-%2Fm0%2Fs1, 126.34529876709, 0.0, 5.0, 0.359160482883453, , 6.0, 1.0, 38.0, 0.0, 7.0, 0.0, -0.599300026893616, 9.0, 3.76999998092651, 73.0, 3.46300005912781
-InChI%3D1S%2FC24H32O4%2Fc1-4-22%2825%2927-16-7-9-17-15%2814-16%296-8-19-18%2817%2912-13-24%283%2920%2819%2910-11-21%2824%2928-23%2826%295-2%2Fh7%2C9%2C14%2C18-21H%2C4-6%2C8%2C10-13H2%2C1-3H3%2Ft18-%2C19%3F%2C20%2B%2C21%2B%2C24%3F%2Fm1%2Fs1, 80.9460983276367, 1.0, 3.0, 0.19421648979187, , 9.0, 0.0, 31.0, 6.0, 5.0, 6.0, 0.440699994564056, 6.0, 3.66000008583069, 60.0, 6.63199996948242
-InChI%3D1S%2FC28H46O%2Fc1-19%282%2920%283%299-10-22%285%2926-15-16-27-23%288-7-17-28%2826%2C27%296%2912-13-24-18-25%2829%2914-11-21%2824%294%2Fh9-10%2C12-13%2C19-22%2C25-27%2C29H%2C7-8%2C11%2C14-18H2%2C1-6H3, 123.60179901123, 1.0, 7.0, 3.84003210067749, , 4.0, 1.0, 31.0, 0.0, 9.0, 0.0, 1.95959997177124, 5.0, 4.42999982833862, 75.0, 10.0609998703003
-InChI%3D1S%2FC22H27NO2%2Fc1-4-22%2824%2910-8-18-16-6-5-15-11-19-14%2813-23-25-19%2912-20%2815%2C2%2917%2816%297-9-21%2818%2C22%293%2Fh1%2C11%2C13%2C16-18%2C24H%2C5-10%2C12H2%2C2-3H3%2Ft16%3F%2C17-%2C18-%2C20-%2C21-%2C22-%2Fm0%2Fs1, 81.6821975708008, 0.0, 2.0, 3.65153884887695, , 2.0, 2.0, 29.0, 5.0, 2.0, 0.0, 1.91089999675751, 0.0, 3.54999995231628, 52.0, 4.47200012207031
-InChI%3D1S%2FC9H19N%2Fc1-8%282%296-5-7-9%283%2910-4%2Fh6%2C9-10H%2C5%2C7H2%2C1-4H3, 45.7593994140625, 0.0, 7.0, 1.45588350296021, , 2.0, 1.0, 9.0, 0.0, 10.0, 0.0, 1.20659995079041, 4.0, 2.33999991416931, 29.0, 2.42300009727478
-InChI%3D1S%2FC6H14N4O2%2Fc7-4%285%2811%2912%292-1-3-10-6%288%299%2Fh4H%2C1-3%2C7H2%2C%28H%2C11%2C12%29%28H4%2C8%2C9%2C10%29, 36.4992980957031, 0.0, 5.0, 4.75545263290405, , 4.0, 5.0, 11.0, 0.0, 12.0, 0.0, -2.18070006370544, 6.0, 1.46000003814697, 26.0, -2.92400002479553
-InChI%3D1S%2FC4H4FN3O%2Fc5-2-1-7-4%289%298-3%282%296%2Fh1H%2C%28H3%2C6%2C7%2C8%2C9%29, 26.8586006164551, 0.0, 0.0, 0.0928420871496201, , 3.0, 4.0, 9.0, 0.0, 0.0, 0.0, -0.30469998717308, 0.0, 1.35000002384186, 17.0, -0.646000027656555
-InChI%3D1S%2FC9H18N6%2Fc1-13%282%297-10-8%2814%283%294%2912-9%2811-7%2915%285%296%2Fh1-6H3, 42.8741989135742, 0.0, 0.0, 0.42693156003952, , 9.0, 0.0, 15.0, 6.0, 3.0, 6.0, 0.653400003910065, 3.0, 1.78999996185303, 33.0, 0.284999996423721
-InChI%3D1S%2FC21H30O3%2Fc1-13%2822%2924-15-8-10-20%282%2914%2812-15%294-5-16-17-6-7-19%2823%2921%2817%2C3%2911-9-18%2816%2920%2Fh4%2C15-18H%2C5-12H2%2C1-3H3%2Ft15-%2C16%3F%2C17-%2C18-%2C20%3F%2C21%3F%2Fm0%2Fs1, 91.5783004760742, 0.0, 2.0, 0.3070268034935, , 3.0, 0.0, 27.0, 0.0, 4.0, 0.0, 0.554099977016449, 2.0, 3.44000005722046, 54.0, 3.77500009536743
-InChI%3D1S%2FC15H10ClN3O3%2Fc16-12-4-2-1-3-10%2812%2915-11-7-9%2819%2821%2922%295-6-13%2811%2918-14%2820%298-17-15%2Fh1-7H%2C8H2%2C%28H%2C18%2C20%29, 28.1429004669189, 0.0, 0.0, 0.0952956900000572, , 20.0, 1.0, 24.0, 12.0, 2.0, 12.0, 0.308699995279312, 2.0, 2.33999991416931, 32.0, 3.76200008392334
-InChI%3D1S%2FC32H44F3N3O2S%2Fc1-2-3-4-5-6-7-8-14-31%2839%2940-24-23-37-21-19-36%2820-22-37%2917-11-18-38-27-12-9-10-13-29%2827%2941-30-16-15-26%2825-28%2830%2938%2932%2833%2C34%2935%2Fh9-10%2C12-13%2C15-16%2C25H%2C2-8%2C11%2C14%2C17-24H2%2C1H3, 100.652099609375, 2.0, 10.0, 0.238046407699585, , 13.0, 0.0, 44.0, 12.0, 14.0, 12.0, -0.487899988889694, 17.0, 3.99000000953674, 85.0, 9.38500022888184
-InChI%3D1S%2FC27H44O2%2Fc1-18%282%298-6-9-19%283%2924-13-14-25-21%2810-7-15-27%2824%2C25%295%2911-12-22-16-23%2828%2917-26%2829%2920%2822%294%2Fh11-12%2C18-19%2C23-26%2C28-29H%2C4%2C6-10%2C13-17H2%2C1-3%2C5H3%2Fb21-11-%2C22-12%2B%2Ft19-%2C23-%2C24-%2C25%2B%2C26%2B%2C27%3F%2Fm1%2Fs1, 118.465599060059, 1.0, 7.0, 1.4251583814621, , 6.0, 2.0, 31.0, 0.0, 8.0, 0.0, 1.19379997253418, 6.0, 4.21000003814697, 73.0, 8.71000003814697
-InChI%3D1S%2FC18H22N2%2Fc1-19-13-6-14-20-17-9-4-2-7-15%2817%2911-12-16-8-3-5-10-18%2816%2920%2Fh2-5%2C7-10%2C19H%2C6%2C11-14H2%2C1H3, 33.961498260498, 1.0, 3.0, 0.19793601334095, , 13.0, 1.0, 22.0, 12.0, 5.0, 12.0, -0.444900006055832, 4.0, 3.22000002861023, 42.0, 5.00500011444092
-InChI%3D1S%2FC22H38O5%2Fc1-4-5-14-22%282%2C26%2915-10-12-18-17%2819%2823%2916-20%2818%2924%2911-8-6-7-9-13-21%2825%2927-3%2Fh10%2C12%2C17-18%2C20%2C24%2C26H%2C4-9%2C11%2C13-16H2%2C1-3H3%2Fb12-10%2B%2Ft17-%2C18%3F%2C20-%2C22%3F%2Fm1%2Fs1, 96.8757019042969, 1.0, 8.0, 4.34931039810181, , 3.0, 2.0, 27.0, 0.0, 10.0, 0.0, -2.08550000190735, 14.0, 3.32999992370605, 65.0, 3.56699991226196
-InChI%3D1S%2FC20H25ClN2O5%2Fc1-4-28-20%2825%2918-15%2811-27-10-9-22%2923-12%282%2916%2819%2824%2926-3%2917%2818%2913-7-5-6-8-14%2813%2921%2Fh5-8%2C17%2C23H%2C4%2C9-11%2C22H2%2C1-3H3, 83.3964004516602, 0.0, 2.0, 0.0135024404153228, , 11.0, 2.0, 29.0, 6.0, 5.0, 6.0, -0.116200000047684, 10.0, 2.77999997138977, 53.0, 3.24799990653992
-InChI%3D1S%2FC28H40Cl2N4O2.2ClH%2Fc1-5-33%286-2%2C21-23-13-9-11-15-25%2823%2929%2919-17-31-27%2835%2928%2836%2932-18-20-34%287-3%2C8-4%2922-24-14-10-12-16-26%2824%2930%3B%3B%2Fh9-16H%2C5-8%2C17-22H2%2C1-4H3%3B2%2A1H, 91.4899978637695, 2.0, 2.0, 3.55699610710144, , 6.0, 0.0, 37.0, 12.0, 22.0, 12.0, -1.8860000371933, 15.0, 3.44000005722046, 80.0, 6.93200016021729
-InChI%3D1S%2FC5H5N3O%2Fc6-5%289%294-3-7-1-2-8-4%2Fh1-3H%2C%28H2%2C6%2C9%29, 8.47640037536621, 0.0, 0.0, 0.00665856013074517, , 9.0, 2.0, 9.0, 6.0, 3.0, 6.0, -0.0816000029444695, 1.0, 1.57000005245209, 14.0, 0.0350000001490116
-InChI%3D1S%2FC16H18N3S.ClH%2Fc1-18%282%2911-5-7-13-15%289-11%2920-16-10-12%2819%283%294%296-8-14%2816%2917-13%3B%2Fh5-10H%2C1-4H3%3B1H%2Fq%2B1%3B%2Fp-1, , 0.0, 0.0, , , 16.0, 0.0, 22.0, 16.0, 3.0, 14.0, , 2.0, 2.67000007629395, 39.0, 3.73300004005432
-InChI%3D1S%2FC11H12N4O3S%2Fc1-18-9-6-13-11%2814-7-9%2915-19%2816%2C17%2910-4-2-8%2812%293-5-10%2Fh2-7H%2C12H2%2C1H3%2C%28H%2C13%2C14%2C15%29, 22.679500579834, 0.0, 0.0, 3.02133917808533, , 18.0, 2.0, 20.0, 12.0, 4.0, 12.0, -1.73819994926453, 4.0, 1.78999996185303, 31.0, 0.296000003814697
-InChI%3D1S%2FC24H19NO5%2Fc1-15%2826%2929-19-11-7-17%288-12-19%2924%2818-9-13-20%2814-10-18%2930-16%282%2927%2921-5-3-4-6-22%2821%2925-23%2824%2928%2Fh3-14H%2C1-2H3%2C%28H%2C25%2C28%29, 34.5290985107422, 1.0, 2.0, 0.376750439405441, , 9.0, 1.0, 33.0, 18.0, 4.0, 18.0, -0.61379998922348, 6.0, 3.44000005722046, 49.0, 5.90100002288818
-InChI%3D1S%2FC17H25N3O2S%2Fc1-18-23%2821%2C22%2910-7-13-3-4-17-15%2811-13%2916%2812-19-17%2914-5-8-20%282%299-6-14%2Fh3-4%2C11-12%2C14%2C18-19H%2C5-10H2%2C1-2H3, 52.6473999023438, 0.0, 2.0, 1.71714818477631, , 7.0, 2.0, 25.0, 10.0, 7.0, 6.0, -1.31040000915527, 5.0, 2.67000007629395, 47.0, 1.82099997997284
-InChI%3D1S%2FC34H50O7%2Fc1-29%282%2923-10-13-34%287%2927%2832%2823%2C5%2912-11-24%2829%2941-26%2838%299-8-25%2836%2937%2922%2835%2918-20-21-19-31%284%2C28%2839%2940%2915-14-30%2821%2C3%2916-17-33%2820%2C34%296%2Fh18%2C21%2C23-24%2C27H%2C8-17%2C19H2%2C1-7H3%2C%28H%2C36%2C37%29%28H%2C39%2C40%29%2Ft21-%2C23-%2C24-%2C27%2B%2C30%2B%2C31-%2C32%3F%2C33%2B%2C34%2B%2Fm0%2Fs1, 154.325103759766, 1.0, 4.0, 3.54230046272278, , 4.0, 2.0, 45.0, 0.0, 8.0, 0.0, 1.88209998607635, 6.0, 4.42999982833862, 91.0, 6.85500001907349
-InChI%3D1S%2FC12H22O11%2Fc13-1-3-5%2815%296%2816%299%2819%2912%2822-3%2923-10-4%282-14%2921-11%2820%298%2818%297%2810%2917%2Fh3-20H%2C1-2H2%2Ft3-%2C4%3F%2C5-%2C6%2B%2C7-%2C8-%2C9-%2C10-%2C11-%2C12%3F%2Fm1%2Fs1, 68.3367004394531, 2.0, 0.0, 18.1501560211182, , 0.0, 8.0, 24.0, 0.0, 2.0, 0.0, -4.26030015945435, 4.0, 1.57000005245209, 45.0, -3.66300010681152
-InChI%3D1S%2FC9H18N2O2%2Fc1-4-6%283%297%285-2%298%2812%2911-9%2810%2913%2Fh6-7H%2C4-5H2%2C1-3H3%2C%28H3%2C10%2C11%2C12%2C13%29, 46.5313987731934, 0.0, 6.0, 0.601710498332977, , 6.0, 3.0, 12.0, 0.0, 13.0, 0.0, -0.775699973106384, 5.0, 2.00999999046326, 31.0, 2.5789999961853
-InChI%3D1S%2FC15H21NO2%2Fc1-3-18-14%2817%2915%289-11-16%282%2912-10-15%2913-7-5-4-6-8-13%2Fh4-8H%2C3%2C9-12H2%2C1-2H3, 45.8254013061523, 0.0, 2.0, 0.293438881635666, , 6.0, 0.0, 19.0, 6.0, 5.0, 6.0, 0.541700005531311, 4.0, 2.77999997138977, 39.0, 3.83100008964539
-InChI%3D1S%2FC17H15NO5%2Fc1-11%2819%2918-13-7-9-14%2810-8-13%2923-17%2821%2915-5-3-4-6-16%2815%2922-12%282%2920%2Fh3-10H%2C1-2H3%2C%28H%2C18%2C19%29, 31.9085998535156, 1.0, 2.0, 0.0595359988510609, , 21.0, 1.0, 24.0, 12.0, 4.0, 12.0, -0.244000002741814, 6.0, 2.67000007629395, 38.0, 4.50699996948242
-InChI%3D1S%2FC7H8N2O.ClH%2Fc1-9-5-3-2-4-7%289%296-8-10%3B%2Fh2-6H%2C1H3%3B1H, 33.9443016052246, 0.0, 0.0, 1.61722087860107, , 5.0, 0.0, 10.0, 0.0, 3.0, 0.0, -1.2717000246048, 1.0, 1.78999996185303, 24.0, 1.62000000476837
-InChI%3D1S%2FC20H23N%2Fc1-21%282%2915-7-12-20-18-10-5-3-8-16%2818%2913-14-17-9-4-6-11-19%2817%2920%2Fh3-6%2C8-12H%2C7%2C13-15H2%2C1-2H3, 40.744499206543, 1.0, 3.0, 0.11451455950737, , 14.0, 0.0, 23.0, 12.0, 6.0, 12.0, 0.33840000629425, 3.0, 3.54999995231628, 44.0, 8.27499961853027
-InChI%3D1S%2FC19H23NO5%2Fc1-23-17-7-11%288-18%2824-2%2919%2817%2925-3%296-14-13-10-16%2822%2915%2821%299-12%2813%294-5-20-14%2Fh7-10%2C14%2C20-22H%2C4-6H2%2C1-3H3%2Ft14-%2Fm0%2Fs1, 47.8039016723633, 0.0, 0.0, 1.48157584667206, , 9.0, 3.0, 27.0, 12.0, 2.0, 12.0, -1.21720004081726, 5.0, 2.89000010490417, 48.0, 1.77699995040894
-InChI%3D1S%2FC42H69NO15%2Fc1-11-16-32%2848%2955-40-27%286%2953-34%2823-42%2840%2C7%2958-31%2847%2912-2%2956-37-26%285%2954-41%2836%2850%2935%2837%2943%288%299%2957-38-28%2819-20-44%2921-24%283%2929%2845%2918-15-13-14-17-25%284%2952-33%2849%2922-30%2846%2939%2838%2951-10%2Fh13-15%2C18%2C20%2C24-30%2C34-41%2C45-46%2C50H%2C11-12%2C16-17%2C19%2C21-23H2%2C1-10H3%2Fb14-13-%2C18-15-%2Ft24-%2C25-%2C26-%2C27%2B%2C28%2B%2C29%2B%2C30-%2C34%2B%2C35-%2C36-%2C37%3F%2C38%3F%2C39%2B%2C40%2B%2C41%2B%2C42-%2Fm1%2Fs1, 207.519805908203, 2.0, 4.0, 2.34641122817993, , 4.0, 3.0, 60.0, 0.0, 6.0, 0.0, -1.53180003166199, 15.0, 4.32000017166138, 127.0, 2.69600009918213
-InChI%3D1S%2FC21H36O5%2Fc1-3-4-9-13-21%282%2C26%2914-12-17-16%2818%2822%2915-19%2817%2923%2910-7-5-6-8-11-20%2824%2925%2Fh5%2C7%2C12%2C14%2C16-19%2C22-23%2C26H%2C3-4%2C6%2C8-11%2C13%2C15H2%2C1-2H3%2C%28H%2C24%2C25%29%2Fb7-5%2B%2C14-12%2B%2Ft16-%2C17%3F%2C18%2B%2C19%3F%2C21%2B%2Fm1%2Fs1, 94.7621002197266, 1.0, 8.0, 4.09576654434204, , 3.0, 4.0, 26.0, 0.0, 10.0, 0.0, -2.02379989624023, 12.0, 3.22000002861023, 62.0, 3.31299996376038
-InChI%3D1S%2FC21H27ClO3%2Fc1-12%2823%2921%2825%299-6-16-14-11-18%2822%2917-10-13%2824%294-7-19%2817%2C2%2915%2814%295-8-20%2816%2C21%293%2Fh10-11%2C14-16%2C25H%2C4-9H2%2C1-3H3%2Ft14%3F%2C15-%2C16-%2C19%2B%2C20-%2C21-%2Fm0%2Fs1, 99.6415023803711, 0.0, 0.0, 1.22544896602631, , 6.0, 1.0, 28.0, 0.0, 2.0, 0.0, 1.10699999332428, 1.0, 3.32999992370605, 52.0, 2.65000009536743
-InChI%3D1S%2FC16H17N3O7S2%2Fc1-25-16%2818-10%2820%295-9-3-2-4-27-9%2913%2823%2919-11%2812%2821%2922%298%286-26-15%2817%2924%297-28-14%2816%2919%2Fh2-4%2C14H%2C5-7H2%2C1H3%2C%28H2%2C17%2C24%29%28H%2C18%2C20%29%28H%2C21%2C22%29%2Ft14-%2C16%3F%2Fm1%2Fs1, 83.7455978393555, 0.0, 2.0, 0.459684014320374, , 8.0, 4.0, 30.0, 5.0, 5.0, 5.0, 0.677999973297119, 8.0, 1.89999997615814, 45.0, 0.679000020027161
-InChI%3D1S%2FC14H19N3S%2Fc1-16%282%299-10-17%2812-13-6-5-11-18-13%2914-7-3-4-8-15-14%2Fh3-8%2C11H%2C9-10%2C12H2%2C1-2H3, 39.119499206543, 0.0, 2.0, 0.733420968055725, , 7.0, 0.0, 19.0, 11.0, 7.0, 11.0, 0.856400012969971, 6.0, 2.55999994277954, 37.0, 2.95000004768372
-InChI%3D1S%2FC49H76O20%2Fc1-21-43%2867-37-16-31%2853%2944%2822%282%2962-37%2968-38-17-33%2864-24%284%2951%2945%2823%283%2963-38%2969-46-42%2858%2941%2857%2940%2856%2934%2819-50%2966-46%2930%2852%2915-36%2861-21%2965-27-9-11-47%285%2926%2814-27%297-8-29-28%2847%2910-12-48%286%2939%2825-13-35%2855%2960-20-25%2932%2854%2918-49%2829%2C48%2959%2Fh13%2C21-23%2C26-34%2C36-46%2C50%2C52-54%2C56-59H%2C7-12%2C14-20H2%2C1-6H3%2Ft21-%2C22-%2C23-%2C26%3F%2C27%3F%2C28%3F%2C29-%2C30%2B%2C31%2B%2C32%3F%2C33%2B%2C34%3F%2C36%2B%2C37%2B%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42-%2C43%3F%2C44%3F%2C45%3F%2C46%2B%2C47%2B%2C48-%2C49%3F%2Fm1%2Fs1, 226.442398071289, 3.0, 0.0, 27.4492168426514, , 5.0, 8.0, 77.0, 0.0, 4.0, 0.0, -5.23920011520386, 12.0, 4.65000009536743, 145.0, 1.58800005912781
-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, 20.9613990783691, 0.0, 0.0, 1.0489856004715, , 7.0, 2.0, 18.0, 12.0, 0.0, 12.0, 1.02419996261597, 2.0, 2.45000004768372, 27.0, 3.3840000629425
\ No newline at end of file
diff --git a/5x_cv/MDD_electronic_cpsa.csv b/5x_cv/MDD_electronic_cpsa.csv
deleted file mode 100644
index 76a13eb..0000000
--- a/5x_cv/MDD_electronic_cpsa.csv
+++ /dev/null
@@ -1,1216 +0,0 @@
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-InChI%3D1S%2FC20H23N%2Fc1-21%282%2915-7-12-20-18-10-5-3-8-16%2818%2913-14-17-9-4-6-11-19%2817%2920%2Fh3-6%2C8-12H%2C7%2C13-15H2%2C1-2H3, 616.263610839844, 0.288192182779312, 314.401824951172, 31.9722595214844, 27.1237602233887, 13.9577713012695, 1.0, 0.0143671175464988, 2.58882808685303, 0.058517400175333, 51.6362380981445, 0.248906672000885, 0.751093327999115, 0.0, 1.11588037014008, -0.266517072916031, 0.804233908653259, 155.628051757812, 469.618560791016, 0.98563289642334, -0.0154317244887352, 0.0357037149369717, -166.638885498047, 502.844543457031, 97.3059158325195, -9.64863300323486, 22.3236255645752, -104.190399169922, -6.03277540206909, 8.98299121856689, 313.990509033203, 293.627410888672, 669.4833984375
-InChI%3D1S%2FC19H23NO5%2Fc1-23-17-7-11%288-18%2824-2%2919%2817%2925-3%296-14-13-10-16%2822%2915%2821%299-12%2813%294-5-20-14%2Fh7-10%2C14%2C20-22H%2C4-6H2%2C1-3H3%2Ft14-%2Fm0%2Fs1, 506.329040527344, 0.156339406967163, 728.458923339844, 70.3662338256836, 31.5517616271973, 21.1082801818848, 1.0, 0.216673910617828, 5.6456036567688, 0.0952273011207581, 53.8862380981445, 0.238067060709, 0.761932969093323, 3.0, 2.04342412948608, -0.544762372970581, 1.74351060390472, 153.882614135742, 492.500885009766, 0.783326089382172, -0.058340385556221, 0.050521045923233, -352.125427246094, 1126.97644042969, 99.4671783447266, -37.710262298584, 32.6559715270996, -227.608047485352, -24.3752899169922, 140.054428100586, 338.618255615234, 318.344421386719, 1479.10180664062
-InChI%3D1S%2FC42H69NO15%2Fc1-11-16-32%2848%2955-40-27%286%2953-34%2823-42%2840%2C7%2958-31%2847%2912-2%2956-37-26%285%2954-41%2836%2850%2935%2837%2943%288%299%2957-38-28%2819-20-44%2921-24%283%2929%2845%2918-15-13-14-17-25%284%2952-33%2849%2922-30%2846%2939%2838%2951-10%2Fh13-15%2C18%2C20%2C24-30%2C34-41%2C45-46%2C50H%2C11-12%2C16-17%2C19%2C21-23H2%2C1-10H3%2Fb14-13-%2C18-15-%2Ft24-%2C25-%2C26-%2C27%2B%2C28%2B%2C29%2B%2C30-%2C34%2B%2C35-%2C36-%2C37%3F%2C38%3F%2C39%2B%2C40%2B%2C41%2B%2C42-%2Fm1%2Fs1, 972.610473632812, 0.0651503130793571, 7133.29150390625, 117.263725280762, 96.5712814331055, 63.208423614502, 16.0, 0.22306814789772, 1.51030123233795, 0.0441681519150734, 133.058715820312, 0.238626316189766, 0.761373698711395, 3.0, 0.605616569519043, -1.42658758163452, 4.55174541473389, 298.726898193359, 953.1337890625, 0.776931881904602, -0.0533383190631866, 0.0403332263231277, -1785.88891601562, 5698.1513671875, 373.964477539062, -66.7721481323242, 50.4915771484375, -2235.68408203125, -83.5894241333008, 279.250244140625, 654.406860351562, 1193.19067382812, 7484.04052734375
-InChI%3D1S%2FC21H36O5%2Fc1-3-4-9-13-21%282%2C26%2914-12-17-16%2818%2822%2915-19%2817%2923%2910-7-5-6-8-11-20%2824%2925%2Fh5%2C7%2C12%2C14%2C16-19%2C22-23%2C26H%2C3-4%2C6%2C8-11%2C13%2C15H2%2C1-2H3%2C%28H%2C24%2C25%29%2Fb7-5%2B%2C14-12%2B%2Ft16-%2C17%3F%2C18%2B%2C19%3F%2C21%2B%2Fm1%2Fs1, 478.493011474609, 0.159099236130714, 834.140380859375, 69.5823669433594, 40.3134536743164, 18.5217819213867, 5.0, 0.276362508535385, 2.98590636253357, 0.105045929551125, 64.9745483398438, 0.225820422172546, 0.774179577827454, 4.0, 0.551693320274353, -0.5564826130867, 1.90778791904449, 149.319915771484, 511.9130859375, 0.723637461662292, -0.0628694966435432, 0.0423617288470268, -367.964691162109, 1261.49230957031, 98.7352676391602, -41.5713882446289, 28.0109748840332, -243.310394287109, -27.488374710083, 182.740020751953, 362.593170166016, 338.493835449219, 1629.45703125
-InChI%3D1S%2FC21H27ClO3%2Fc1-12%2823%2921%2825%299-6-16-14-11-18%2822%2917-10-13%2824%294-7-19%2817%2C2%2915%2814%295-8-20%2816%2C21%293%2Fh10-11%2C14-16%2C25H%2C4-9H2%2C1-3H3%2Ft14%3F%2C15-%2C16-%2C19%2B%2C20-%2C21-%2Fm0%2Fs1, 486.349273681641, 0.244984403252602, 386.379547119141, 57.2407379150391, 31.8525886535645, 11.0116939544678, 3.0, 0.203357666730881, 3.13261818885803, 0.135800167918205, 59.5494117736816, 0.333888649940491, 0.666111350059509, 1.0, 3.62904691696167, -0.519635915756226, 1.03667914867401, 203.838653564453, 406.660247802734, 0.796642363071442, -0.0642155706882477, 0.0295450240373611, -317.237152099609, 632.891479492188, 124.443267822266, -39.2035331726074, 18.0372047424316, -193.672943115234, -23.9337139129639, 124.149627685547, 202.82160949707, 248.265640258789, 950.128662109375
-InChI%3D1S%2FC16H17N3O7S2%2Fc1-25-16%2818-10%2820%295-9-3-2-4-27-9%2913%2823%2919-11%2812%2821%2922%298%286-26-15%2817%2924%297-28-14%2816%2919%2Fh2-4%2C14H%2C5-7H2%2C1H3%2C%28H2%2C17%2C24%29%28H%2C18%2C20%29%28H%2C21%2C22%29%2Ft14-%2C16%3F%2Fm1%2Fs1, , , , , 32.1925201416016, , 10.0, , , , 54.2094802856445, , , 4.0, , , , , , , , , , , , , , , , , , , 
-InChI%3D1S%2FC14H19N3S%2Fc1-16%282%299-10-17%2812-13-6-5-11-18-13%2914-7-3-4-8-15-14%2Fh3-8%2C11H%2C9-10%2C12H2%2C1-2H3, 516.743835449219, 0.259100258350372, 235.949203491211, 31.9558544158936, 28.3309326171875, 10.4663047790527, 3.0, 0.0243020374327898, 2.46485567092896, 0.0917294695973396, 43.5090675354004, 0.291498154401779, 0.708501815795898, 0.0, 0.0, -0.346093595027924, 0.841198921203613, 154.381652832031, 375.232879638672, 0.975697934627533, -0.0230237934738398, 0.0373141542077065, -183.296188354492, 445.511199951172, 81.7627716064453, -12.193736076355, 19.7621173858643, -97.0763244628906, -6.45797967910767, 12.8707122802734, 220.851211547852, 198.728790283203, 628.807373046875
-InChI%3D1S%2FC49H76O20%2Fc1-21-43%2867-37-16-31%2853%2944%2822%282%2962-37%2968-38-17-33%2864-24%284%2951%2945%2823%283%2963-38%2969-46-42%2858%2941%2857%2940%2856%2934%2819-50%2966-46%2930%2852%2915-36%2861-21%2965-27-9-11-47%285%2926%2814-27%297-8-29-28%2847%2910-12-48%286%2939%2825-13-35%2855%2960-20-25%2932%2854%2918-49%2829%2C48%2959%2Fh13%2C21-23%2C26-34%2C36-46%2C50%2C52-54%2C56-59H%2C7-12%2C14-20H2%2C1-6H3%2Ft21-%2C22-%2C23-%2C26%3F%2C27%3F%2C28%3F%2C29-%2C30%2B%2C31%2B%2C32%3F%2C33%2B%2C34%3F%2C36%2B%2C37%2B%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42-%2C43%3F%2C44%3F%2C45%3F%2C46%2B%2C47%2B%2C48-%2C49%3F%2Fm1%2Fs1, , , , , 104.159729003906, , 20.0, , , , 152.956268310547, , , 8.0, , , , , , , , , , , , , , , , , , , 
-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, 401.707397460938, 0.301302284002304, 120.55101776123, 54.9831199645996, 11.7720699310303, 8.42783260345459, 0.0, 0.159530326724052, 4.15308141708374, 0.18223349750042, 35.5119285583496, 0.558462142944336, 0.441537857055664, 2.0, 5.44639158248901, -0.667453646659851, 0.5277099609375, 266.920257568359, 211.035598754883, 0.840469658374786, -0.0781453773379326, 0.03689269348979, -319.013366699219, 252.222076416016, 127.576095581055, -37.350040435791, 17.63307762146, -152.474304199219, -17.8516712188721, 76.2484512329102, -55.8846473693848, 100.865699768066, 571.235473632812
\ No newline at end of file
diff --git a/5x_cv/MDD_geometrical.csv b/5x_cv/MDD_geometrical.csv
deleted file mode 100644
index 1f2aa63..0000000
--- a/5x_cv/MDD_geometrical.csv
+++ /dev/null
@@ -1 +0,0 @@
-SMILES,GRAV-6,GRAVH-2,GRAVH-3,LOBMIN,MOMI-X,MOMI-YZ,MOMI-XY,MOMI-Y,GRAV-1,MOMI-XZ,MOMI-Z,GRAV-2,GRAV-3,MOMI-R,GRAV-4,GRAV-5,GRAVH-1,LOBMAX
diff --git a/5x_cv/MDD_hybrid.csv b/5x_cv/MDD_hybrid.csv
deleted file mode 100644
index 2a8b7ee..0000000
--- a/5x_cv/MDD_hybrid.csv
+++ /dev/null
@@ -1,1216 +0,0 @@
-SMILES,BCUTp-1h,BCUTc-1h,Weta2.unity,Wgamma3.unity,Wgamma1.unity,WD.unity,Wgamma2.unity,WG.unity,WT.unity,BCUTp-1l,BCUTc-1l,BCUTw-1h,Wlambda1.unity,Weta1.unity,WK.unity,BCUTw-1l,WA.unity,Wnu1.unity,Wlambda3.unity,WV.unity,Wnu2.unity,Wlambda2.unity,Weta3.unity
-InChI%3D1S%2FC22H25N3O4S%2Fc1-2-29-22%2827%2923-16-7-8-20-18%2815-16%2925%2817-5-3-4-6-19%2817%2930-20%2921%2826%299-10-24-11-13-28-14-12-24%2Fh3-8%2C15H%2C2%2C9-14H2%2C1H3%2C%28H%2C23%2C27%29, 12.1683416366577, 0.298465102910995, , , , , , , , 4.86048936843872, -0.378539860248566, 31.9720726013184, , , , 11.9961414337158, , , , , , , 
-InChI%3D1S%2FC17H22NOS2.BrH%2Fc1-18%282%2911-13%2810-14%2812-18%2919-3%2917%2815-6-4-8-20-15%2916-7-5-9-21-16%3B%2Fh4-9%2C14H%2C10-12H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, 14.267162322998, 0.14795646071434, , , , , , , , 3.49999594688416, -0.379126340150833, 78.9183349609375, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC26H27NO10%2Fc1-9-21%2830%2913%2827%296-16%2836-9%2937-15-8-26%2835%2C10%282%2928%297-12-18%2815%2925%2834%2920-19%2823%2812%2932%2922%2831%2911-4-3-5-14%2829%2917%2811%2924%2820%2933%2Fh3-5%2C9%2C13%2C15-16%2C21%2C29-30%2C32%2C34-35H%2C6-8%2C27H2%2C1-2H3%2Ft9-%2C13%3F%2C15-%2C16-%2C21%2B%2C26-%2Fm0%2Fs1, 11.5248079299927, 0.216793537139893, , , , , , , , 4.95452213287354, -0.389096230268478, 16.0039844512939, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC7H8O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5%2C8H%2C6H2, 7.76514911651611, 0.14271804690361, , , , , , , , 4.27359104156494, -0.395117402076721, 15.9949159622192, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC11H17NO%2Fc1-9%2812-2%298-10-6-4-5-7-11%2810%2913-3%2Fh4-7%2C9%2C12H%2C8H2%2C1-3H3, 9.42331981658936, 0.108184866607189, , , , , , , , 4.98145723342896, -0.401188850402832, 15.9979438781738, , , , 11.9962329864502, , , , , , , 
-InChI%3D1S%2FC5H11NO2%2Fc1-3-5%282%294-8-6-7%2Fh5H%2C3-4H2%2C1-2H3, 7.46675395965576, 0.102262355387211, , , , , , , , 2.58679413795471, -0.216575503349304, 15.9959182739258, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC21H28N2O5%2Fc1-23%282%2910-11-28-17-8-6-15%287-9-17%2914-22-21%2824%2916-12-18%2825-3%2920%2827-5%2919%2813-16%2926-4%2Fh6-9%2C12-13H%2C10-11%2C14H2%2C1-5H3%2C%28H%2C22%2C24%29, 9.71815776824951, 0.168530121445656, , , , , , , , 5.02240991592407, -0.371888399124146, 16.0000095367432, , , , 11.9961462020874, , , , , , , 
-InChI%3D1S%2FC18H37N5O9%2Fc19-3-9-8%2825%292-7%2822%2917%2829-9%2931-15-5%2820%291-6%2821%2916%2814%2815%2928%2932-18-13%2827%2911%2823%2912%2826%2910%284-24%2930-18%2Fh5-18%2C24-28H%2C1-4%2C19-23H2%2Ft5-%2C6%2B%2C7%3F%2C8-%2C9%3F%2C10%2B%2C11-%2C12%2B%2C13%2B%2C14-%2C15%3F%2C16-%2C17%2B%2C18%3F%2Fm0%2Fs1, 10.1525821685791, 0.186857938766479, , , , , , , , 4.40758323669434, -0.414178818464279, 16.0035095214844, , , , 11.9961633682251, , , , , , , 
-InChI%3D1S%2FC14H14N2O%2Fc1-14%282%2C12-6-4-8-16-10-12%2913%2817%2911-5-3-7-15-9-11%2Fh3-10H%2C1-2H3, 11.1547241210938, 0.182863742113113, , , , , , , , 5.79109811782837, -0.297879666090012, 15.9949188232422, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC12H12N2O2S%2Fc13-9-1-5-11%286-2-9%2917%2815%2C16%2912-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, 11.7771883010864, 0.204704329371452, , , , , , , , 5.74297857284546, -0.323870122432709, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H21NO3%2Fc1-19-8-7-18-11-4-5-13%2820%2917%2818%2922-16-14%2821-2%296-3-10%2815%2816%2918%299-12%2811%2919%2Fh3-6%2C11-13%2C17%2C20H%2C7-9H2%2C1-2H3%2Ft11%3F%2C12%3F%2C13-%2C17%3F%2C18%2B%2Fm0%2Fs1, 13.0681056976318, 0.141473054885864, , , , , , , , 5.09282350540161, -0.385894149541855, 15.9969301223755, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC29H39FO7%2Fc1-6-8-25%2835%2937-29%2823%2833%2916-36-24%2834%297-2%2917%283%2913-21-20-10-9-18-14-19%2831%2911-12-26%2818%2C4%2928%2820%2C30%2922%2832%2915-27%2821%2C29%295%2Fh11-12%2C14%2C17%2C20-22%2C32H%2C6-10%2C13%2C15-16H2%2C1-5H3%2Ft17-%2C20-%2C21%3F%2C22-%2C26-%2C27-%2C28%3F%2C29-%2Fm0%2Fs1, 13.5901718139648, 0.26308012008667, , , , , , , , 4.24116086959839, -0.389566898345947, 18.9984092712402, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC23H31FO6%2Fc1-13%2825%2930-12-19%2828%2922%2829%299-7-16-17-5-4-14-10-15%2826%296-8-20%2814%2C2%2923%2817%2C24%2918%2827%2911-21%2816%2C22%293%2Fh10%2C16-18%2C27%2C29H%2C4-9%2C11-12H2%2C1-3H3%2Ft16%3F%2C17-%2C18-%2C20-%2C21-%2C22-%2C23%3F%2Fm0%2Fs1, 12.6186943054199, 0.258527398109436, , , , , , , , 3.86762070655823, -0.389649420976639, 18.9984092712402, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC10H12ClN5O3%2Fc11-10-14-8%2812%297-9%2815-10%2916%283-13-7%296-1-4%2818%295%282-17%2919-6%2Fh3-6%2C17-18H%2C1-2H2%2C%28H2%2C12%2C14%2C15%29%2Ft4-%2C5%3F%2C6%2B%2Fm0%2Fs1, 9.94460964202881, 0.296647369861603, , , , , , , , 4.29440784454346, -0.393292963504791, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC12H13N3O2%2Fc1-9-7-11%2815-17-9%2912%2816%2914-13-8-10-5-3-2-4-6-10%2Fh2-7%2C13H%2C8H2%2C1H3%2C%28H%2C14%2C16%29, 8.66962718963623, 0.240765273571014, , , , , , , , 4.64509677886963, -0.277079999446869, 15.9959239959717, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC6H12O6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-12H%2Ft1-%2C2%2B%2C3-%2C4%3F%2C5%3F%2C6%2B, 7.79536008834839, 0.134969398379326, , , , , , , , 5.04373168945312, -0.410314708948135, 16.0007839202881, , , , 11.9963550567627, , , , , , , 
-InChI%3D1S%2FC13H24N4O3S%2Fc1-13%282%2C3%2914-8-10%2818%299-20-12-11%2815-21-16-12%2917-4-6-19-7-5-17%2Fh10%2C14%2C18H%2C4-9H2%2C1-3H3%2Ft10-%2Fm0%2Fs1, 10.2260074615479, 0.232772827148438, , , , , , , , 5.2308177947998, -0.38899090886116, 31.9720726013184, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC17H19ClN2S%2Fc1-19%282%2910-5-11-20-14-6-3-4-7-16%2814%2921-17-9-8-13%2818%2912-15%2817%2920%2Fh3-4%2C6-9%2C12H%2C5%2C10-11H2%2C1-2H3, 12.2074069976807, 0.211001455783844, , , , , , , , 5.72204303741455, -0.308933049440384, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC22H28N2O2%2Fc1-17-5-3-4-15-24%2817%2916-14-18-6-10-20%2811-7-18%2923-22%2825%2919-8-12-21%2826-2%2913-9-19%2Fh6-13%2C17H%2C3-5%2C14-16H2%2C1-2H3%2C%28H%2C23%2C25%29, 9.53606414794922, 0.167371734976768, , , , , , , , 4.75112247467041, -0.374111115932465, 15.9982671737671, , , , 11.9961414337158, , , , , , , 
-InChI%3D1S%2FC19H15NO6%2Fc1-11%2821%2910-15%2812-6-8-13%289-7-12%2920%2824%2925%2917-18%2822%2914-4-2-3-5-16%2814%2926-19%2817%2923%2Fh2-9%2C15%2C22H%2C10H2%2C1H3, 11.6654939651489, 0.267937690019608, , , , , , , , 3.62095880508423, -0.415877908468246, 16.000804901123, , , , 11.9961566925049, , , , , , , 
-InChI%3D1S%2FC7H8ClN3O4S2%2Fc8-4-1-5-7%282-6%284%2916%289%2C12%2913%2917%2814%2C15%2911-3-10-5%2Fh1-2%2C10-11H%2C3H2%2C%28H2%2C9%2C12%2C13%29, 12.8018226623535, 0.245231747627258, , , , , , , , 7.26832818984985, -0.294271618127823, 34.9688529968262, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC28H44O3%2Fc1-3-4-5-6-7-8-9-10-27%2830%2931-26-16-15-25-24-13-11-20-19-21%2829%2912-14-22%2820%2923%2824%2917-18-28%2825%2C26%292%2Fh19%2C22-26H%2C3-18H2%2C1-2H3%2Ft22-%2C23%2B%2C24%3F%2C25-%2C26-%2C28-%2Fm0%2Fs1, 11.8920640945435, 0.261504054069519, , , , , , , , 4.73321199417114, -0.312043935060501, 15.9969358444214, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC14H11NO5%2Fc1-8-2-4-9%285-3-8%2913%2817%2910-6-11%2815%2819%2920%2914%2818%2912%2816%297-10%2Fh2-7%2C16%2C18H%2C1H3, 9.73146724700928, 0.192811384797096, , , , , , , , 3.75032472610474, -0.383293509483337, 16.0170726776123, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC21H23BrFNO2%2Fc22-18-7-5-17%286-8-18%2921%2826%2911-14-24%2815-12-21%2913-1-2-20%2825%2916-3-9-19%2823%2910-4-16%2Fh3-10%2C26H%2C1-2%2C11-15H2, 10.6549940109253, 0.1529141664505, , , , , , , , 4.00949621200562, -0.388943165540695, 78.9183349609375, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC11H12N2O2%2Fc1-2-13-10%2814%299%2812-11%2813%2915%298-6-4-3-5-7-8%2Fh3-7%2C9H%2C2H2%2C1H3%2C%28H%2C12%2C15%29, 9.71488571166992, 0.242035463452339, , , , , , , , 5.19502210617065, -0.356298863887787, 15.9982624053955, , , , 11.9962329864502, , , , , , , 
-InChI%3D1S%2FC24H34N2O%2Fc1-21%282%2919-27-20-24%2825-15-9-10-16-25%2918-26%2823-13-7-4-8-14-23%2917-22-11-5-3-6-12-22%2Fh3-8%2C11-14%2C21%2C24H%2C9-10%2C15-20H2%2C1-2H3, 11.3792924880981, 0.0646676570177078, , , , , , , , 5.67252969741821, -0.378810465335846, 15.9949216842651, , , , 11.9942722320557, , , , , , , 
-InChI%3D1S%2FC8H9NO5%2Fc10-2-1-4-7%288%2812%2913%299-5%2811%293-6%289%2914-4%2Fh1%2C6-7%2C10H%2C2-3H2%2C%28H%2C12%2C13%29%2Ft6-%2C7-%2Fm1%2Fs1, 9.34494495391846, 0.283469557762146, , , , , , , , 4.2331600189209, -0.416763097047806, 15.9999933242798, , , , 11.9962921142578, , , , , , , 
-InChI%3D1S%2FC16H14N2O%2Fc1-11-7-3-6-10-15%2811%2918-12%282%2917-14-9-5-4-8-13%2814%2916%2818%2919%2Fh3-10H%2C1-2H3, 11.0042915344238, 0.214144393801689, , , , , , , , 5.75497579574585, -0.292707532644272, 15.9949197769165, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC17H17Cl2N%2Fc1-20-17-9-7-12%2813-4-2-3-5-14%2813%2917%2911-6-8-15%2818%2916%2819%2910-11%2Fh2-6%2C8%2C10%2C12%2C17%2C20H%2C7%2C9H2%2C1H3%2Ft12-%2C17-%2Fm0%2Fs1, 11.5614805221558, 0.148538872599602, , , , , , , , 5.74375629425049, -0.316101640462875, 34.9698524475098, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H22F2N4O3%2Fc1-8-5-24%286-9%282%2923-8%2917-13%2820%2915%2822%2912-16%2814%2817%2921%2925%2810-3-4-10%297-11%2818%2812%2926%2919%2827%2928%2Fh7-10%2C23H%2C3-6%2C22H2%2C1-2H3%2C%28H%2C27%2C28%29%2Ft8-%2C9%2B, 11.2623138427734, 0.270528852939606, , , , , , , , 4.4589991569519, -0.331279784440994, 18.9994125366211, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC35H62N4O4.2BrH%2Fc1-24%2840%2942-32-21-26-9-10-27-28%2835%2826%2C4%2923-31%2832%2937-15-19-39%287%2C8%2920-16-37%2911-12-34%283%2929%2827%2922-30%2833%2834%2943-25%282%2941%2936-13-17-38%285%2C6%2918-14-36%3B%3B%2Fh26-33H%2C9-23H2%2C1-8H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Ft26%3F%2C27-%2C28%3F%2C29%3F%2C30%3F%2C31%2B%2C32%3F%2C33%2B%2C34%3F%2C35%2B%3B%3B%2Fm1..%2Fs1, 13.345874786377, 0.259991228580475, , , , , , , , 3.49900007247925, -0.347134351730347, 78.9193420410156, , , , 11.9942302703857, , , , , , , 
-InChI%3D1S%2FC14H17N3O%2Fc1-16-9-3-5-13-11%287-9%2910-6-8%2814%2815%2918%292-4-12%2810%2917-13%2Fh2%2C4%2C6%2C9%2C16-17H%2C3%2C5%2C7H2%2C1H3%2C%28H2%2C15%2C18%29, 10.1674890518188, 0.163965657353401, , , , , , , , 5.05435276031494, -0.371631592512131, 15.9979457855225, , , , 11.9961957931519, , , , , , , 
-InChI%3D1S%2FC8H11NO3%2Fc1-5-8%2812%297%284-11%296%283-10%292-9-5%2Fh2%2C10-12H%2C3-4H2%2C1H3, 8.94875907897949, 0.14958943426609, , , , , , , , 4.48718786239624, -0.406306385993958, 15.9987049102783, , , , 11.9962921142578, , , , , , , 
-InChI%3D1S%2FC9H10N4O2S2%2Fc1-6-11-12-9%2816-6%2913-17%2814%2C15%298-4-2-7%2810%293-5-8%2Fh2-5H%2C10H2%2C1H3%2C%28H%2C12%2C13%29, 11.6670360565186, 0.272777885198593, , , , , , , , 5.73764324188232, -0.322930753231049, 31.9737892150879, , , , 11.9979982376099, , , , , , , 
-InChI%3D1S%2FC21H32O2%2Fc1-13-11-14-12-15%2822%295-8-19%2814%2C2%2916-6-9-20%283%2917%2818%2813%2916%297-10-21%2820%2C4%2923%2Fh12-13%2C16-18%2C23H%2C5-11H2%2C1-4H3%2Ft13-%2C16-%2C17-%2C18%3F%2C19%3F%2C20%3F%2C21-%2Fm0%2Fs1, 12.638635635376, 0.155556634068489, , , , , , , , 4.85097312927246, -0.414416790008545, 15.9982652664185, , , , 11.9961462020874, , , , , , , 
-InChI%3D1S%2FC13H18N4O3%2Fc1-9%2818%296-4-5-7-17-12%2819%2910-11%2814-8-15%2810%292%2916%283%2913%2817%2920%2Fh8H%2C4-7H2%2C1-3H3, 9.71240520477295, 0.356769233942032, , , , , , , , 4.14845561981201, -0.332395851612091, 16.0061473846436, , , , 11.9885129928589, , , , , , , 
-InChI%3D1S%2FC16H25NO4%2Fc1-12%282%2917-10-14%2818%2911-21-15-7-4-13%285-8-15%296-9-16%2819%2920-3%2Fh4-5%2C7-8%2C12%2C14%2C17-18H%2C6%2C9-11H2%2C1-3H3, 8.86644744873047, 0.261293023824692, , , , , , , , 4.13014078140259, -0.388945609331131, 15.997932434082, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC20H20N6O9S%2Fc1-25-19%2822-23-24-25%2936-8-10-7-35-18-20%2834-2%2C17%2833%2926%2818%2913%2810%2916%2831%2932%2921-14%2828%2912%2815%2829%2930%299-3-5-11%2827%296-4-9%2Fh3-6%2C12%2C18%2C27H%2C7-8H2%2C1-2H3%2C%28H%2C21%2C28%29%28H%2C29%2C30%29%28H%2C31%2C32%29%2Ft12%3F%2C18-%2C20%3F%2Fm1%2Fs1, 11.1139192581177, 0.321162194013596, , , , , , , , 4.65464496612549, -0.385862737894058, 31.9720726013184, , , , 11.996150970459, , , , , , , 
-InChI%3D1S%2FC10H16N2O8%2Fc13-7%2814%293-11%284-8%2815%2916%291-2-12%285-9%2817%2918%296-10%2819%2920%2Fh1-6H2%2C%28H%2C13%2C14%29%28H%2C15%2C16%29%28H%2C17%2C18%29%28H%2C19%2C20%29, 9.10061454772949, 0.292837589979172, , , , , , , , 3.96002745628357, -0.35008031129837, 16.0025520324707, , , , 11.9962491989136, , , , , , , 
-InChI%3D1S%2FC30H60N3O3.3HI%2Fc1-10-31%2811-2%2C12-3%2922-25-34-28-20-19-21-29%2835-26-23-32%2813-4%2C14-5%2915-6%2930%2828%2936-27-24-33%2816-7%2C17-8%2918-9%3B%3B%3B%2Fh19-21H%2C10-18%2C22-27H2%2C1-9H3%3B3%2A1H%2Fq%2B3%3B%3B%3B%2Fp-3, 10.8157167434692, 0.167521595954895, , , , , , , , 5.78900003433228, -0.36738520860672, 126.906471252441, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC4H8O2%2Fc1-3-6-4%282%295%2Fh3H2%2C1-2H3, 5.37165546417236, 0.301574528217316, , , , , , , , 3.5645592212677, -0.3161361515522, 15.9959163665771, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC12H6Cl2N2O6%2Fc13-5-1-7%2811%2817%299%283-5%2915%2819%2920%298-2-6%2814%294-10%2812%288%2918%2916%2821%2922%2Fh1-4%2C17-18H, 10.900577545166, 0.192602291703224, , , , , , , , 3.88288950920105, -0.38378119468689, 34.969856262207, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC19H28ClN5O%2Fc1-3-18-21-25%2819%2826%2924%2818%294-2%2910-6-9-22-11-13-23%2814-12-22%2917-8-5-7-16%2820%2915-17%2Fh5%2C7-8%2C15H%2C3-4%2C6%2C9-14H2%2C1-2H3, 9.935715675354, 0.363275945186615, , , , , , , , 5.1550498008728, -0.330522418022156, 34.9688529968262, , , , 11.9884271621704, , , , , , , 
-InChI%3D1S%2FC18H19N%2Fc1-19-12-18-11-10-13%2814-6-2-4-8-16%2814%2918%2915-7-3-5-9-17%2815%2918%2Fh2-9%2C13%2C19H%2C10-12H2%2C1H3, 12.9516305923462, 0.143439918756485, , , , , , , , 5.67296266555786, -0.31846672296524, 14.0030832290649, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC36H47N5O4.H2O%2Fc1-36%282%2C3%2939-35%2845%2931-24-40%2822-26-12-9-15-37-21-26%2916-17-41%2831%2923-29%2842%2919-28%2818-25-10-5-4-6-11-25%2934%2844%2938-33-30-14-8-7-13-27%2830%2920-32%2833%2943%3B%2Fh4-15%2C21%2C28-29%2C31-33%2C42-43H%2C16-20%2C22-24H2%2C1-3H3%2C%28H%2C38%2C44%29%28H%2C39%2C45%29%3B1H2%2Ft28-%2C29%2B%2C31%2B%2C32%3F%2C33%2B%3B%2Fm1.%2Fs1, 11.2736902236938, 0.178155601024628, , , , , , , , 1.43799316883087, -0.411204516887665, 16.0000343322754, , , , 11.9961004257202, , , , , , , 
-InChI%3D1S%2FC13H11NO5%2Fc1-2-14-5-8%2813%2816%2917%2912%2815%297-3-10-11%284-9%287%2914%2919-6-18-10%2Fh3-5H%2C2%2C6H2%2C1H3%2C%28H%2C16%2C17%29, 10.3836479187012, 0.270504951477051, , , , , , , , 4.39220237731934, -0.343029826879501, 15.9989337921143, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC20H20N6O7S4%2Fc1-7-10%283-11%2827%2928%2937-20%2822-7%2936-5-8-4-34-17-13%2816%2830%2926%2817%2914%288%2918%2831%2932%2924-15%2829%2912%2825-33-2%299-6-35-19%2821%2923-9%2Fh6%2C13%2C17H%2C3-5H2%2C1-2H3%2C%28H2%2C21%2C23%29%28H%2C24%2C29%29%28H%2C27%2C28%29%28H%2C31%2C32%29%2Fb25-12%2B%2Ft13%3F%2C17-%2Fm1%2Fs1, 13.1130170822144, 0.30231985449791, , , , , , , , 4.28883028030396, -0.343726634979248, 31.9750785827637, , , , 11.9942979812622, , , , , , , 
-InChI%3D1S%2FC31H33N3O6S%2Fc1-20-8-4-7-11-29%2820%2941%2837%2C38%2933-30%2835%2922-13-12-21%2828%2817-22%2939-3%2916-23-19-34%282%2927-15-14-24%2818-26%2823%2927%2932-31%2836%2940-25-9-5-6-10-25%2Fh4%2C7-8%2C11-15%2C17-19%2C25H%2C5-6%2C9-10%2C16H2%2C1-3H3%2C%28H%2C32%2C36%29%28H%2C33%2C35%29, 11.9369630813599, 0.279460370540619, , , , , , , , 5.17309045791626, -0.374131381511688, 31.9720726013184, , , , 11.9961109161377, , , , , , , 
-InChI%3D1S%2FC20H21FN2O%2Fc1-23%282%2911-3-10-20%2817-5-7-18%2821%298-6-17%2919-9-4-15%2813-22%2912-16%2819%2914-24-20%2Fh4-9%2C12H%2C3%2C10-11%2C14H2%2C1-2H3, 12.4083185195923, 0.202213853597641, , , , , , , , 4.12545251846313, -0.37281060218811, 18.9984073638916, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC12H11ClN2O5S%2Fc13-9-5-10%2815-6-7-2-1-3-20-7%298%2812%2816%2917%294-11%289%2921%2814%2C18%2919%2Fh1-5%2C15H%2C6H2%2C%28H%2C16%2C17%29%28H2%2C14%2C18%2C19%29, 12.252366065979, 0.268666207790375, , , , , , , , 4.66960048675537, -0.363529711961746, 34.9688529968262, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC21H25ClO5%2Fc1-19-5-3-11%2824%297-14%2819%2915%2822%298-12-13-4-6-21%2827%2C17%2826%2910-23%2920%2813%2C2%299-16%2825%2918%2812%2919%2Fh3%2C5%2C7-8%2C12-13%2C16%2C18%2C23%2C25%2C27H%2C4%2C6%2C9-10H2%2C1-2H3%2Ft12%3F%2C13-%2C16-%2C18%2B%2C19-%2C20-%2C21-%2Fm0%2Fs1, 13.375524520874, 0.1900355219841, , , , , , , , 4.54824733734131, -0.392749786376953, 34.9688529968262, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC10H14O4%2Fc1-13-9-4-2-3-5-10%289%2914-7-8%2812%296-11%2Fh2-5%2C8%2C11-12H%2C6-7H2%2C1H3, 8.45204162597656, 0.137267976999283, , , , , , , , 4.02949333190918, -0.398878663778305, 15.9992876052856, , , , 11.9962491989136, , , , , , , 
-InChI%3D1S%2FC19H16O4%2Fc1-12%2820%2911-15%2813-7-3-2-4-8-13%2917-18%2821%2914-9-5-6-10-16%2814%2923-19%2817%2922%2Fh2-10%2C15%2C21H%2C11H2%2C1H3, 11.5965557098389, 0.267918616533279, , , , , , , , 4.6387939453125, -0.415873914957047, 15.9992952346802, , , , 11.9961566925049, , , , , , , 
-InChI%3D1S%2FC12H8O4%2Fc1-14-12-10-8%284-5-15-10%296-7-2-3-9%2813%2916-11%287%2912%2Fh2-6H%2C1H3, 9.25864601135254, 0.262401759624481, , , , , , , , 4.23446321487427, -0.368193119764328, 15.9979267120361, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H21NO4%2Fc1-11%286-12-2-4-14%2819%295-3-12%2918-10-17%2822%2913-7-15%2820%299-16%2821%298-13%2Fh2-5%2C7-9%2C11%2C17-22H%2C6%2C10H2%2C1H3, 9.28659057617188, 0.130748718976974, , , , , , , , 4.77079200744629, -0.39099383354187, 15.9979333877563, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC9H11Cl2N3O4S2%2Fc1-14-9%284-10%2913-6-2-5%2811%297%2819%2812%2C15%2916%293-8%286%2920%2814%2C17%2918%2Fh2-3%2C9%2C13H%2C4H2%2C1H3%2C%28H2%2C12%2C15%2C16%29, 13.1978235244751, 0.245266303420067, , , , , , , , 6.213059425354, -0.290104299783707, 34.969856262207, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC16H13ClN2O%2Fc1-19-14-8-7-12%2817%299-13%2814%2916%2818-10-15%2819%2920%2911-5-3-2-4-6-11%2Fh2-9H%2C10H2%2C1H3, 11.5723552703857, 0.224767431616783, , , , , , , , 5.08248996734619, -0.283073008060455, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC9H11NO2%2Fc1-2-12-8-6-4-3-5-7%288%299%2810%2911%2Fh3-6H%2C2H2%2C1H3%2C%28H2%2C10%2C11%29, 9.01569557189941, 0.166608363389969, , , , , , , , 5.01782417297363, -0.371759384870529, 15.9982604980469, , , , 11.9962692260742, , , , , , , 
-InChI%3D1S%2FC37H48I6N6O18%2Fc1-48%2832-28%2840%2922%2834%2864%2944-12%284-50%2916%2858%298-54%2926%2838%2923%2829%2832%2941%2935%2865%2945-13%285-51%2917%2859%299-55%2920%2862%293-21%2863%2949%282%2933-30%2842%2924%2836%2866%2946-14%286-52%2918%2860%2910-56%2927%2839%2925%2831%2833%2943%2937%2867%2947-15%287-53%2919%2861%2911-57%2Fh12-19%2C50-61H%2C3-11H2%2C1-2H3%2C%28H%2C44%2C64%29%28H%2C45%2C65%29%28H%2C46%2C66%29%28H%2C47%2C67%29, 17.7514324188232, 0.213907063007355, , , , , , , , 4.36719560623169, -0.417951107025146, 126.909477233887, , , , 11.9960985183716, , , , , , , 
-InChI%3D1S%2FC20H24O2%2Fc1-12-10-14-15-4-5-18%2822%2920%2815%2C3%299-7-16%2814%2919%282%298-6-13%2821%2911-17%2812%2919%2Fh6%2C8%2C11%2C14-16H%2C1%2C4-5%2C7%2C9-10H2%2C2-3H3%2Ft14%3F%2C15-%2C16-%2C19%3F%2C20%3F%2Fm0%2Fs1, 13.0109777450562, 0.178516626358032, , , , , , , , 4.9944896697998, -0.298710972070694, 15.995924949646, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC20H32O5%2Fc1-2-3-6-9-15%2821%2912-13-17-16%2818%2822%2914-19%2817%2923%2910-7-4-5-8-11-20%2824%2925%2Fh4%2C7%2C12-13%2C15-17%2C19%2C21%2C23H%2C2-3%2C5-6%2C8-11%2C14H2%2C1H3%2C%28H%2C24%2C25%29%2Fb7-4-%2C13-12%2B%2Ft15-%2C16%2B%2C17%3F%2C19%3F%2Fm0%2Fs1, 10.5324649810791, 0.278441935777664, , , , , , , , 3.74286937713623, -0.392074644565582, 16.0000038146973, , , , 11.996150970459, , , , , , , 
-InChI%3D1S%2FC17H24O3%2Fc1-12-9-14%2811-17%282%2C3%2910-12%2920-16%2819%2915%2818%2913-7-5-4-6-8-13%2Fh4-8%2C12%2C14-15%2C18H%2C9-11H2%2C1-3H3, 9.87000274658203, 0.291337907314301, , , , , , , , 4.92464828491211, -0.381655216217041, 15.9969272613525, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC11H12N4O3S%2Fc1-18-11-7-6-10%2813-14-11%2915-19%2816%2C17%299-4-2-8%2812%293-5-9%2Fh2-7H%2C12H2%2C1H3%2C%28H%2C13%2C15%29, 11.4541778564453, 0.222062006592751, , , , , , , , 4.65378522872925, -0.355826914310455, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC5H9NO3S%2Fc1-3%287%296-4%282-10%295%288%299%2Fh4%2C10H%2C2H2%2C1H3%2C%28H%2C6%2C7%29%28H%2C8%2C9%29%2Ft4-%2Fm0%2Fs1, 9.04600620269775, 0.303745537996292, , , , , , , , 4.28805541992188, -0.349544316530228, 31.9720706939697, , , , 11.9964008331299, , , , , , , 
-InChI%3D1S%2FC43H48N2O6S2.Na%2Fc1-42%282%2938%2844%2828-14-16-30-52%2846%2C47%2948%2936-26-24-32-18-10-12-20-34%2832%2940%2836%2942%2922-8-6-5-7-9-23-39-43%283%2C4%2941-35-21-13-11-19-33%2835%2925-27-37%2841%2945%2839%2929-15-17-31-53%2849%2C50%2951%3B%2Fh5-13%2C18-27H%2C14-17%2C28-31H2%2C1-4H3%2C%28H-%2C46%2C47%2C48%2C49%2C50%2C51%29%3B%2Fq%3B%2B1%2Fp-1, 12.7026290893555, 0.347815603017807, , , , , , , , -5.94289122091141e-06, -0.36509957909584, 31.9730758666992, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC23H24O4%2Fc1-16%2824%2926-21-12-8-19%289-13-21%2923%2818-6-4-3-5-7-18%2920-10-14-22%2815-11-20%2927-17%282%2925%2Fh8-15H%2C3-7H2%2C1-2H3, 12.3950233459473, 0.302303671836853, , , , , , , , 3.95422220230103, -0.306516110897064, 15.9979381561279, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC16H21NO3.CH3Br%2Fc1-17-12-7-8-13%2817%2910-14%289-12%2920-16%2819%2915%2818%2911-5-3-2-4-6-11%3B1-2%2Fh2-6%2C12-15%2C18H%2C7-10H2%2C1H3%3B1H3%2Ft12-%2C13%2B%2C14%3F%2C15%3F%3B, 9.21123123168945, 0.291348189115524, , , , , , , , 4.88766670227051, -0.381667882204056, 78.9183349609375, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC12H20N4O7%2Fc1-4%2818%2915-8-5%2816-12%2813%2914%292-7%2811%2821%2922%2923-10%288%299%2820%296%2819%293-17%2Fh2%2C5-6%2C8-10%2C17%2C19-20H%2C3H2%2C1H3%2C%28H%2C15%2C18%29%28H%2C21%2C22%29%28H4%2C13%2C14%2C16%29%2Ft5-%2C6%2B%2C8%2B%2C9%2B%2C10%3F%2Fm0%2Fs1, 10.9188508987427, 0.331853955984116, , , , , , , , 4.29957246780396, -0.393630772829056, 16.0016632080078, , , , 11.9962186813354, , , , , , , 
-InChI%3D1S%2FC19H35NO2%2Fc1-3-20%284-2%2915-16-22-18%2821%2919%2813-9-6-10-14-19%2917-11-7-5-8-12-17%2Fh17H%2C3-16H2%2C1-2H3, 12.0934591293335, 0.268085658550262, , , , , , , , 5.50602436065674, -0.313999474048615, 15.995924949646, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC15H14ClN3O4S%2Fc16-8-6-24-14-10%2813%2821%2919%2814%2911%288%2915%2822%2923%2918-12%2820%299%2817%297-4-2-1-3-5-7%2Fh1-5%2C9-10%2C14H%2C6%2C17H2%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft9-%2C10%3F%2C14-%2Fm1%2Fs1, 11.8382091522217, 0.303934782743454, , , , , , , , 4.7830605506897, -0.370203703641891, 34.9688529968262, , , , 11.9961862564087, , , , , , , 
-InChI%3D1S%2FC38H69NO13%2Fc1-15-26-38%2810%2C45%2931%2842%2921%284%2928%2840%2919%282%2917-37%289%2C47-14%2933%2852-35-29%2841%2925%2839%2811%2912%2916-20%283%2948-35%2922%285%2930%2823%286%2934%2844%2950-26%2951-27-18-36%288%2C46-13%2932%2843%2924%287%2949-27%2Fh19-27%2C29-33%2C35%2C41-43%2C45H%2C15-18H2%2C1-14H3%2Ft19-%2C20-%2C21%2B%2C22%3F%2C23-%2C24%2B%2C25%3F%2C26-%2C27%2B%2C29-%2C30%2B%2C31-%2C32%2B%2C33-%2C35%3F%2C36-%2C37-%2C38-%2Fm1%2Fs1, 12.4803838729858, 0.267189085483551, , , , , , , , 5.28004932403564, -0.407775282859802, 16.0074024200439, , , , 11.9960966110229, , , , , , , 
-InChI%3D1S%2FC11H16N2O2%2Fc1-3-10-8%286-15-11%2810%2914%294-9-5-12-7-13%289%292%2Fh5%2C7-8%2C10H%2C3-4%2C6H2%2C1-2H3%2Ft8-%2C10%3F%2Fm0%2Fs1, 9.64826107025146, 0.264987051486969, , , , , , , , 4.44994783401489, -0.31744247674942, 15.995922088623, , , , 11.9934062957764, , , , , , , 
-InChI%3D1S%2FC13H17N%2Fc1-4-10-14%283%2912%282%2911-13-8-6-5-7-9-13%2Fh1%2C5-9%2C12H%2C10-11H2%2C2-3H3, 9.45966815948486, 0.128964990377426, , , , , , , , 4.609938621521, -0.292337775230408, 14.003080368042, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC11H16N4O4%2Fc16-3-8-6%2817%291-9%2819-8%2915-5-14-10-7%2818%292-12-4-13-11%2810%2915%2Fh4-9%2C16-18H%2C1-3H2%2C%28H%2C12%2C13%29%2Ft6-%2C7%2B%2C8%3F%2C9%2B%2Fm0%2Fs1, 9.61139011383057, 0.283198714256287, , , , , , , , 4.28656530380249, -0.393389046192169, 15.9979333877563, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC6H13NO2%2Fc7-5-3-1-2-4-6%288%299%2Fh1-5%2C7H2%2C%28H%2C8%2C9%29, 7.07047462463379, 0.278708428144455, , , , , , , , 3.6994788646698, -0.351397484540939, 15.9982595443726, , , , 11.9963550567627, , , , , , , 
-InChI%3D1S%2FC32H32O13S%2Fc1-37-19-6-13%287-20%2838-2%2925%2819%2933%2923-14-8-17-18%2842-12-41-17%299-15%2814%2928%2816-10-39-30%2836%2924%2816%2923%2944-32-27%2835%2926%2834%2929-21%2843-32%2911-40-31%2845-29%2922-4-3-5-46-22%2Fh3-9%2C16%2C21%2C23-24%2C26-29%2C31-35H%2C10-12H2%2C1-2H3%2Ft16%3F%2C21%3F%2C23-%2C24%2B%2C26-%2C27-%2C28%3F%2C29-%2C31%3F%2C32%3F%2Fm1%2Fs1, 12.7369394302368, 0.265625476837158, , , , , , , , 5.03796768188477, -0.387410849332809, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC56H78N2O16.2ClH%2Fc1-57%2823-19-37-33-45%2865-7%2953%2869-11%2955%2871-13%2949%2837%2939%2857%2927-35-29-41%2861-3%2951%2867-9%2942%2830-35%2962-4%2921-15-25-73-47%2859%2917-18-48%2860%2974-26-16-22-58%282%2924-20-38-34-46%2866-8%2954%2870-12%2956%2872-14%2950%2838%2940%2858%2928-36-31-43%2863-5%2952%2868-10%2944%2832-36%2964-6%3B%3B%2Fh29-34%2C39-40H%2C15-28H2%2C1-14H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Ft39-%2C40%2B%2C57%3F%2C58%3F%3B%3B, 13.1805019378662, 0.263872146606445, , , , , , , , 2.34200000762939, -0.398476600646973, 34.9698600769043, , , , 11.996075630188, , , , , , , 
-InChI%3D1S%2FC10H15N3O5%2Fc11-6%284-14%2910%2818%2913-12-3-5-1-2-7%2815%299%2817%298%285%2916%2Fh1-2%2C6%2C12%2C14-17H%2C3-4%2C11H2%2C%28H%2C13%2C18%29, 9.04315853118896, 0.195751518011093, , , , , , , , 4.27306938171387, -0.393904536962509, 16.0, , , , 11.9962491989136, , , , , , , 
-InChI%3D1S%2FC29H24N4O8%2Fc34-25%2821-5-1-9-30-13-21%2938-17-29%2818-39-26%2835%2922-6-2-10-31-14-22%2C19-40-27%2836%2923-7-3-11-32-15-23%2920-41-28%2837%2924-8-4-12-33-16-24%2Fh1-16H%2C17-20H2, 11.5379161834717, 0.274612665176392, , , , , , , , 4.88962078094482, -0.31527116894722, 16.001989364624, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC9H7N7O2S%2Fc1-15-4-14-7%2816%2817%2918%299%2815%2919-8-5-6%2811-2-10-5%2912-3-13-8%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C12%2C13%29, 11.2368860244751, 0.300104588270187, , , , , , , , 3.82044148445129, -0.266490250825882, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H22N2O%2Fc1-17%2820-14-13-19%282%293%2C15-9-5-4-6-10-15%2916-11-7-8-12-18-16%2Fh4-12H%2C13-14H2%2C1-3H3, 11.7221927642822, 0.151844650506973, , , , , , , , 5.64162874221802, -0.370613664388657, 15.9949197769165, , , , 11.9883184432983, , , , , , , 
-InChI%3D1S%2FC19H29NO%2Fc21-19%2817-9-3-1-4-10-17%2C18-11-5-2-6-12-18%2913-16-20-14-7-8-15-20%2Fh1%2C3-4%2C9-10%2C18%2C21H%2C2%2C5-8%2C11-16H2, 12.0731935501099, 0.146810874342918, , , , , , , , 6.7945818901062, -0.388368457555771, 15.9949197769165, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC11H15NO2%2Fc1-8%282%297-14-11%2813%299-3-5-10%2812%296-4-9%2Fh3-6%2C8H%2C7%2C12H2%2C1-2H3, 8.68404483795166, 0.269456595182419, , , , , , , , 4.70514917373657, -0.323029637336731, 15.9959211349487, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H18ClN3S%2Fc1-21-8-10-22%2811-9-21%2918-14-12-13%2819%296-7-16%2814%2923-17-5-3-2-4-15%2817%2920-18%2Fh2-7%2C12H%2C8-11H2%2C1H3, 12.7820901870728, 0.204299241304398, , , , , , , , 5.94237184524536, -0.303457796573639, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H22ClNO%2Fc1-18%2821-14-13-20%282%293%2C15-7-5-4-6-8-15%2916-9-11-17%2819%2912-10-16%2Fh4-12H%2C13-14H2%2C1-3H3, 12.0111932754517, 0.148012608289719, , , , , , , , 5.65066003799438, -0.37202861905098, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC35H45Cl2NO6%2Fc1-33-14-12-26%2839%2920-24%2833%298-11-27-28-13-15-35%2843%2C34%2828%2C2%2921-29%2840%2932%2827%2933%2930%2841%2922-44-31%2842%295-3-4-23-6-9-25%2810-7-23%2938%2818-16-36%2919-17-37%2Fh6-7%2C9-10%2C12%2C14%2C20%2C27-29%2C32%2C40%2C43H%2C3-5%2C8%2C11%2C13%2C15-19%2C21-22H2%2C1-2H3%2Ft27%3F%2C28-%2C29-%2C32%2B%2C33-%2C34%3F%2C35-%2Fm0%2Fs1, 12.8068256378174, 0.261740148067474, , , , , , , , 4.55031681060791, -0.392644375562668, 34.969856262207, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC12H16F3N%2Fc1-3-16-9%282%297-10-5-4-6-11%288-10%2912%2813%2C14%2915%2Fh4-6%2C8-9%2C16H%2C3%2C7H2%2C1-2H3, 9.23254203796387, 0.41682755947113, , , , , , , , 3.59123206138611, -0.314191192388535, 19.0012550354004, , , , 11.9974241256714, , , , , , , 
-InChI%3D1S%2FC14H10N4O5%2Fc19-13-8-17%2814%2820%2916-13%2915-7-11-5-6-12%2823-11%299-1-3-10%284-2-9%2918%2821%2922%2Fh1-7H%2C8H2%2C%28H%2C16%2C19%2C20%29, 9.29953670501709, 0.344395101070404, , , , , , , , 3.58178973197937, -0.354732006788254, 15.9989423751831, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29, 8.41445064544678, 0.22120213508606, , , , , , , , 4.60374164581299, -0.278664857149124, 15.9949178695679, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H34N2O6S%2Fc1-5-6-10-7-11%2820%283%298-10%2917%2825%2919-12%289%282%2921%2916-14%2823%2913%2822%2915%2824%2918%2826-16%2927-4%2Fh9-16%2C18%2C21-24H%2C5-8H2%2C1-4H3%2C%28H%2C19%2C25%29%2Ft9-%2C10-%2C11%2B%2C12-%2C13%2B%2C14-%2C15-%2C16%3F%2C18-%2Fm1%2Fs1, 10.8219556808472, 0.17667680978775, , , , , , , , 5.3851113319397, -0.3909991979599, 31.9720726013184, , , , 11.9961633682251, , , , , , , 
-InChI%3D1S%2FC17H26N2O4S%2Fc1-4-19-10-6-7-13%2819%2912-18-17%2820%2915-11-14%2824%2821%2C22%295-2%298-9-16%2815%2923-3%2Fh8-9%2C11%2C13H%2C4-7%2C10%2C12H2%2C1-3H3%2C%28H%2C18%2C20%29, 11.8027210235596, 0.158422559499741, , , , , , , , 5.15922546386719, -0.373147487640381, 31.9720726013184, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC6H12O3%2Fc1-4-7-5%282%299-6%283%298-4%2Fh4-6H%2C1-3H3, 6.68422317504883, 0.181394577026367, , , , , , , , 5.26837491989136, -0.343626856803894, 15.9983005523682, , , , 11.9968357086182, , , , , , , 
-InChI%3D1S%2FC11H16N2O3%2Fc1-4-6-11%287%283%295-2%298%2814%2912-10%2816%2913-9%2811%2915%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 12.0668792724609, 0.371294379234314, , , , , , , , 4.33839321136475, -0.369943201541901, 15.9987077713013, , , , 11.9962329864502, , , , , , , 
-InChI%3D1S%2FC10H16N2O3%2Fc1-4-6%283%2910%285-2%297%2813%2911-9%2815%2912-8%2810%2914%2Fh6H%2C4-5H2%2C1-3H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29, 11.6681289672852, 0.371291697025299, , , , , , , , 4.31347131729126, -0.369962334632874, 15.998706817627, , , , 11.9962491989136, , , , , , , 
-InChI%3D1S%2FC23H28N4O11S%2Fc1-11%2838-21%2831%2923%282%2C3%2933-4%2937-20%2830%2916-12%289-36-22%2824%2932%2910-39-19-15%2818%2829%2927%2816%2919%2925-17%2828%2914%2826-34-5%2913-7-6-8-35-13%2Fh6-8%2C11%2C15%2C19H%2C9-10H2%2C1-5H3%2C%28H2%2C24%2C32%29%28H%2C25%2C28%29%2Fb26-14-%2Ft11%3F%2C15%3F%2C19-%2Fm1%2Fs1, 12.0265188217163, 0.307212203741074, , , , , , , , 4.40561628341675, -0.368415355682373, 31.9720726013184, , , , 11.9961366653442, , , , , , , 
-InChI%3D1S%2FC22H30N4O2S2%2Fc1-23%282%2930%2827%2C28%2918-9-10-22-20%2817-18%2926%2819-7-4-5-8-21%2819%2929-22%2912-6-11-25-15-13-24%283%2914-16-25%2Fh4-5%2C7-10%2C17H%2C6%2C11-16H2%2C1-3H3, 12.8023958206177, 0.222062721848488, , , , , , , , 5.82742595672607, -0.332548409700394, 31.9730739593506, , , , 11.9942846298218, , , , , , , 
-InChI%3D1S%2FC12H13I3N2O2%2Fc1-17%282%296-16-12-9%2814%295-8%2813%297%2811%2812%2915%293-4-10%2818%2919%2Fh5-6H%2C3-4H2%2C1-2H3%2C%28H%2C18%2C19%29, 16.5844421386719, 0.25895220041275, , , , , , , , 4.21567153930664, -0.331604719161987, 126.906509399414, , , , 11.9989051818848, , , , , , , 
-InChI%3D1S%2FC11H9FN2O3%2Fc12-6-1-2-8-7%285-6%2911%283-4-17-8%299%2815%2913-10%2816%2914-11%2Fh1-2%2C5H%2C3-4H2%2C%28H2%2C13%2C14%2C15%2C16%29, 11.1926927566528, 0.283071458339691, , , , , , , , 4.34909534454346, -0.370217889547348, 18.998405456543, , , , 11.9962329864502, , , , , , , 
-InChI%3D1S%2FC12H14N4O4S%2Fc1-19-11-7-10%2812%2820-2%2915-14-11%2916-21%2817%2C18%299-5-3-8%2813%294-6-9%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C16%29, 11.5711040496826, 0.222290679812431, , , , , , , , 4.80639219284058, -0.356277167797089, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC28H33ClN2%2Fc1-28%282%2C3%2925-13-9-22%2810-14-25%2921-30-17-19-31%2820-18-30%2927%2823-7-5-4-6-8-23%2924-11-15-26%2829%2916-12-24%2Fh4-16%2C27H%2C17-21H2%2C1-3H3, 12.2699365615845, 0.138604030013084, , , , , , , , 6.16412448883057, -0.300092339515686, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H19N3O5S%2Fc1-9-11%2812%2821-27-9%2910-7-5-4-6-8-10%2915%2823%2920-13-16%2824%2922-14%2818%2825%2926%2919%282%2C3%2928-17%2813%2922%2Fh4-8%2C13-14%2C17H%2C1-3H3%2C%28H%2C20%2C23%29%28H%2C25%2C26%29%2Ft13%3F%2C14-%2C17%2B%2Fm0%2Fs1, 12.0921659469604, 0.278277784585953, , , , , , , , 4.77893257141113, -0.3478082716465, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC7H7NO3%2Fc8-4-1-2-5%287%2810%2911%296%289%293-4%2Fh1-3%2C9H%2C8H2%2C%28H%2C10%2C11%29, 8.26863479614258, 0.269630581140518, , , , , , , , 4.13521242141724, -0.384796768426895, 15.9969215393066, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC27H34O3%2Fc1-27-16-15-22-21-11-9-20%2828%2917-19%2821%298-10-23%2822%2924%2827%2912-13-25%2827%2930-26%2829%2914-7-18-5-3-2-4-6-18%2Fh2-6%2C17%2C21-25H%2C7-16H2%2C1H3%2Ft21%3F%2C22-%2C23%3F%2C24%2B%2C25%2B%2C27%3F%2Fm1%2Fs1, 11.9096984863281, 0.261528253555298, , , , , , , , 4.7333083152771, -0.312038868665695, 15.9969348907471, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC15H25NO3%2Fc1-12%282%2916-10-14%2817%2911-19-15-6-4-13%285-7-15%298-9-18-3%2Fh4-7%2C12%2C14%2C16-17H%2C8-11H2%2C1-3H3, 8.65195369720459, 0.13097670674324, , , , , , , , 4.43401765823364, -0.389085710048676, 15.9969272613525, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC16H14FN3O%2Fc1-10-4-2-3-5-14%2810%2920-15%289-17%2919-13-7-6-11%2818%298-12%2813%2916%2820%2921%2Fh2-8H%2C9%2C18H2%2C1H3, 11.0496673583984, 0.214316129684448, , , , , , , , 4.09213542938232, -0.322959303855896, 18.9984073638916, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC13H15N3O4S%2Fc1-8-9%282%2915-20-13%288%2916%2810%283%2917%2921%2818%2C19%2912-6-4-11%2814%295-7-12%2Fh4-7H%2C14H2%2C1-3H3, 12.3831024169922, 0.231672435998917, , , , , , , , 5.42394828796387, -0.322962284088135, 31.9720726013184, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC7H11NO3%2Fc1-4-7%282%295%289%298%283%296%2810%2911-7%2Fh4H2%2C1-3H3, 9.0198802947998, 0.347599864006042, , , , , , , , 4.28883838653564, -0.350776940584183, 16.0061416625977, , , , 11.9886617660522, , , , , , , 
-InChI%3D1S%2FC16H22ClNO4%2Fc1-16%282%2C22-13-9-7-12%2817%298-10-13%2915%2820%2921-11-5-6-14%2819%2918%283%294%2Fh7-10H%2C5-6%2C11H2%2C1-4H3, 9.52164363861084, 0.293070167303085, , , , , , , , 4.63256359100342, -0.354862242937088, 34.9688529968262, , , , 11.9933309555054, , , , , , , 
-InChI%3D1S%2FC19H31NO%2Fc1-20%282%2915-10-16-21-19%2813-8-3-4-9-14-19%2917-18-11-6-5-7-12-18%2Fh5-7%2C11-12H%2C3-4%2C8-10%2C13-17H2%2C1-2H3, 11.4696311950684, 0.129777029156685, , , , , , , , 5.61032962799072, -0.374190986156464, 15.9949197769165, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC22H30N2O2S%2Fc1-3-21%2825%2924%2819-8-5-4-6-9-19%2922%2818-26-2%2912-15-23%2816-13-22%2914-11-20-10-7-17-27-20%2Fh4-10%2C17H%2C3%2C11-16%2C18H2%2C1-2H3, 12.5273370742798, 0.203776061534882, , , , , , , , 5.03914022445679, -0.382039964199066, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H22NO.C11H8O3%2Fc1-18%282%2C15-16-9-5-3-6-10-16%2913-14-19-17-11-7-4-8-12-17%3B12-10-6-8-4-2-1-3-7%288%295-9%2810%2911%2813%2914%2Fh3-12H%2C13-15H2%2C1-2H3%3B1-6%2C12H%2C%28H%2C13%2C14%29%2Fq%2B1%3B%2Fp-1, 10.3870058059692, 0.270885467529297, , , , , , , , 4.24085426330566, -0.369874209165573, 15.9979448318481, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC7H5I2NO3.C4H11NO2%2Fc8-4-1-10%283-6%2811%2912%292-5%289%297%284%2913%3B6-3-1-5-2-4-7%2Fh1-2H%2C3H2%2C%28H%2C11%2C12%29%3B5-7H%2C1-4H2, 13.9068508148193, 0.272832363843918, , , , , , , , 3.84623432159424, -0.395747393369675, 126.905471801758, , , , 11.994402885437, , , , , , , 
-InChI%3D1S%2FC16H17N3O4S%2Fc1-8-7-24-15-11%2814%2821%2919%2815%2912%288%2916%2822%2923%2918-13%2820%2910%2817%299-5-3-2-4-6-9%2Fh2-6%2C10-11%2C15H%2C7%2C17H2%2C1H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft10-%2C11%3F%2C15-%2Fm1%2Fs1, 11.7508955001831, 0.302193909883499, , , , , , , , 4.6957483291626, -0.370203703641891, 31.9720726013184, , , , 11.9961776733398, , , , , , , 
-InChI%3D1S%2FC20H22N2%2Fc1-22-13-10-16%2811-14-22%2919-18-7-3-2-5-15%2818%298-9-17-6-4-12-21-20%2817%2919%2Fh2-7%2C12H%2C8-11%2C13-14H2%2C1H3, 12.6311635971069, 0.0889403596520424, , , , , , , , 5.98347997665405, -0.334956854581833, 14.008279800415, , , , 11.9942979812622, , , , , , , 
-InChI%3D1S%2FC19H24N2O3%2Fc1-13%287-8-14-5-3-2-4-6-14%2921-12-18%2823%2915-9-10-17%2822%2916%2811-15%2919%2820%2924%2Fh2-6%2C9-11%2C13%2C18%2C21-23H%2C7-8%2C12H2%2C1H3%2C%28H2%2C20%2C24%29, 9.61556911468506, 0.166715160012245, , , , , , , , 5.0750298500061, -0.390806019306183, 15.9987125396729, , , , 11.9961566925049, , , , , , , 
-InChI%3D1S%2FC17H17N3O6S2%2Fc1-9%2821%2926-6-10-7-28-16-13%2815%2823%2920%2816%2914%2810%2917%2824%2925%2919-12%2822%298-27-11-2-4-18-5-3-11%2Fh2-5%2C13%2C16H%2C6-8H2%2C1H3%2C%28H%2C19%2C22%29%28H%2C24%2C25%29%2Ft13%3F%2C16-%2Fm1%2Fs1, 11.8641290664673, 0.302333265542984, , , , , , , , 3.97292852401733, -0.347776144742966, 31.9730739593506, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC13H19ClN2O2%2Fc1-3-16%284-2%297-8-18-13%2817%2911-6-5-10%2815%299-12%2811%2914%2Fh5-6%2C9H%2C3-4%2C7-8%2C15H2%2C1-2H3, 9.66899013519287, 0.271633416414261, , , , , , , , 4.97847414016724, -0.322998136281967, 34.9693794250488, , , , 11.9985208511353, , , , , , , 
-InChI%3D1S%2FC12H15N5O3S%2Fc1-7-8%282%2920-12%2815-7%2916-11%2814%2917-21%2818%2C19%2910-5-3-9%2813%294-6-10%2Fh3-6H%2C13H2%2C1-2H3%2C%28H3%2C14%2C15%2C16%2C17%29, 11.4510164260864, 0.306236743927002, , , , , , , , 5.51987886428833, -0.329385668039322, 31.9720726013184, , , , 11.9883947372437, , , , , , , 
-InChI%3D1S%2FC32H41NO2%2Fc1-31%282%2C3%2926-18-16-25%2817-19-26%2930%2834%2915-10-22-33-23-20-29%2821-24-33%2932%2835%2C27-11-6-4-7-12-27%2928-13-8-5-9-14-28%2Fh4-9%2C11-14%2C16-19%2C29-30%2C34-35H%2C10%2C15%2C20-24H2%2C1-3H3, 12.7646188735962, 0.0825987756252289, , , , , , , , 5.68159914016724, -0.392145693302155, 15.9959316253662, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC25H35NO5%2Fc1-6-26%2819%282%2917-20-9-12-22%2828-3%2913-10-20%2915-7-8-16-31-25%2827%2921-11-14-23%2829-4%2924%2818-21%2930-5%2Fh9-14%2C18-19H%2C6-8%2C15-17H2%2C1-5H3, 10.0146408081055, 0.269635021686554, , , , , , , , 4.75490140914917, -0.374338954687119, 15.9989490509033, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC20H25N3O%2Fc1-4-23%285-2%2920%2824%2914-9-16-15-7-6-8-17-19%2815%2913%2811-21-17%2910-18%2816%2922%283%2912-14%2Fh6-9%2C11%2C14%2C18%2C21H%2C4-5%2C10%2C12H2%2C1-3H3%2Ft14-%2C18-%2Fm1%2Fs1, 11.6570444107056, 0.211055770516396, , , , , , , , 5.68901205062866, -0.298281461000443, 15.9949207305908, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC10H16N2OS%2Fc1-4-5-12-9%2813%298%286-7%282%293%2911-10%2812%2914%2Fh4%2C7-8H%2C1%2C5-6H2%2C2-3H3%2C%28H%2C11%2C14%29, 10.4563341140747, 0.233634427189827, , , , , , , , 5.45141839981079, -0.277553498744965, 31.972677230835, , , , 11.9984607696533, , , , , , , 
-InChI%3D1S%2FC13H19NO%2Fc1-4-14%285-2%2911%283%2913%2815%2912-9-7-6-8-10-12%2Fh6-11H%2C4-5H2%2C1-3H3, 9.84235382080078, 0.169640958309174, , , , , , , , 5.49426746368408, -0.297102212905884, 15.9949188232422, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC10H14N2O4%2Fc1-10%2812-11%2C9%2815%2916%295-6-2-3-7%2813%298%2814%294-6%2Fh2-4%2C12-14H%2C5%2C11H2%2C1H3%2C%28H%2C15%2C16%29%2Ft10-%2Fm0%2Fs1, 10.0379610061646, 0.299538642168045, , , , , , , , 4.53603935241699, -0.383803129196167, 15.9992914199829, , , , 11.9962491989136, , , , , , , 
-InChI%3D1S%2FC12H19N3O%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29, 9.11466121673584, 0.208143517374992, , , , , , , , 4.97613048553467, -0.280011922121048, 15.9949188232422, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC17H21NO%2Fc1-18%282%2913-14-19-17%2815-9-5-3-6-10-15%2916-11-7-4-8-12-16%2Fh3-12%2C17H%2C13-14H2%2C1-2H3, 10.6314458847046, 0.145253509283066, , , , , , , , 5.60754299163818, -0.374953091144562, 15.9949197769165, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC29H53NO5%2Fc1-5-7-9-11-12-13-14-15-16-18-24%2834-29%2833%2926%2830-22-31%2920-23%283%294%2921-27-25%2828%2832%2935-27%2919-17-10-8-6-2%2Fh22-27H%2C5-21H2%2C1-4H3%2C%28H%2C30%2C31%29%2Ft24-%2C25-%2C26%3F%2C27%3F%2Fm0%2Fs1, 9.8791446685791, 0.286820918321609, , , , , , , , 4.21295404434204, -0.350869953632355, 15.9989538192749, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC20H23N7O7%2Fc21-20-25-16-15%2818%2832%2926-20%2927%289-28%2912%288-23-16%297-22-11-3-1-10%282-4-11%2917%2831%2924-13%2819%2833%2934%295-6-14%2829%2930%2Fh1-4%2C9%2C12-13%2C22H%2C5-8H2%2C%28H%2C24%2C31%29%28H%2C29%2C30%29%28H%2C33%2C34%29%28H4%2C21%2C23%2C25%2C26%2C32%29, 10.5737371444702, 0.276392847299576, , , , , , , , 3.8322856426239, -0.376291245222092, 16.0009746551514, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC22H30N2%2Fc1-3-23%284-2%2915-10-16-24%2821-13-6-5-7-14-21%2922-17-19-11-8-9-12-20%2819%2918-22%2Fh5-9%2C11-14%2C22H%2C3-4%2C10%2C15-18H2%2C1-2H3, 11.4501667022705, 0.0933512449264526, , , , , , , , 5.57282018661499, -0.303468644618988, 14.004096031189, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC19H21NS%2Fc1-20%282%2913-7-11-17-16-9-4-3-8-15%2816%2914-21-19-12-6-5-10-18%2817%2919%2Fh3-6%2C8-12H%2C7%2C13-14H2%2C1-2H3, 12.4312038421631, 0.157303065061569, , , , , , , , 5.7580509185791, -0.308647960424423, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC12H19NO3%2Fc1-9%282%2913-7-11%2815%298-16-12-5-3-10%2814%294-6-12%2Fh3-6%2C9%2C11%2C13-15H%2C7-8H2%2C1-2H3, 8.10484886169434, 0.212847307324409, , , , , , , , 4.70519971847534, -0.389165908098221, 15.9969253540039, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC24H21I6N5O8%2Fc1-7%2837%2935%283%2920-17%2829%2910%2821%2839%2931-2%2913%2825%2911%2818%2820%2930%2923%2841%2933-6-8%2838%2934-19-15%2827%299%2822%2840%2932-4-5-36%2914%2826%2912%2816%2819%2928%2924%2842%2943%2Fh36H%2C4-6H2%2C1-3H3%2C%28H%2C31%2C39%29%28H%2C32%2C40%29%28H%2C33%2C41%29%28H%2C34%2C38%29%28H%2C42%2C43%29, 17.4406509399414, 0.269084990024567, , , , , , , , 4.16976451873779, -0.394336581230164, 126.909492492676, , , , 11.9989004135132, , , , , , , 
-InChI%3D1S%2FC15H14O3%2Fc1-11%2815%2816%2917%2912-6-5-9-14%2810-12%2918-13-7-3-2-4-8-13%2Fh2-11H%2C1H3%2C%28H%2C16%2C17%29, 9.49451637268066, 0.26237279176712, , , , , , , , 4.26043272018433, -0.360704958438873, 15.9969263076782, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H27N5O3%2Fc1-4-6-17%2825%2923-7-5-8-24%2810-9-23%2919-21-14-12-16%2827-3%2915%2826-2%2911-13%2814%2918%2820%2922-19%2Fh11-12H%2C4-10H2%2C1-3H3%2C%28H2%2C20%2C21%2C22%29, 10.6301565170288, 0.202885836362839, , , , , , , , 5.01729774475098, -0.371925920248032, 15.9969367980957, , , , 11.9943056106567, , , , , , , 
-InChI%3D1S%2FC5H15N2O3PS%2Fc6-2-1-3-7-4-5-12-11%288%2C9%2910%2Fh7H%2C1-6H2%2C%28H2%2C8%2C9%2C10%29, 8.35547637939453, 0.385298907756805, , , , , , , , 3.62695670127869, -0.331366658210754, 31.9720726013184, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC17H18N2O5S%2Fc18-25%2822%2C23%2915-11-12%2817%2820%2921%2910-14%2819-8-4-5-9-19%2916%2815%2924-13-6-2-1-3-7-13%2Fh1-3%2C6-7%2C10-11H%2C4-5%2C8-9H2%2C%28H%2C20%2C21%29%28H2%2C18%2C22%2C23%29, 12.7224922180176, 0.267068296670914, , , , , , , , 4.55641603469849, -0.357530236244202, 31.9727458953857, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC24H33NO3%2Fc1-3-25%284-2%2914-16-28-24%2826%2921%2818-22-12-8-15-27-22%2917-20-11-7-10-19-9-5-6-13-23%2819%2920%2Fh5-7%2C9-11%2C13%2C21-22H%2C3-4%2C8%2C12%2C14-18H2%2C1-2H3, 10.6711463928223, 0.264842212200165, , , , , , , , 5.18747234344482, -0.377468913793564, 15.9969339370728, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC8H7ClN2O2S%2Fc1-5-10-7-3-2-6%289%294-8%287%2914%2812%2C13%2911-5%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%29, 11.8596925735474, 0.22751273214817, , , , , , , , 6.52708911895752, -0.265535086393356, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC14H12O3%2Fc1-7-4-12%2815%2917-14-9%283%2913-10%286-11%287%2914%295-8%282%2916-13%2Fh4-6H%2C1-3H3, 10.0677947998047, 0.262473165988922, , , , , , , , 4.41655397415161, -0.405114710330963, 16.0009708404541, , , , 11.9937181472778, , , , , , , 
-InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H, 8.57438373565674, 0.27928552031517, , , , , , , , 4.12385606765747, -0.322134345769882, 15.9977855682373, , , , 11.9967565536499, , , , , , , 
-InChI%3D1S%2FC19H20N2O2%2Fc1-2-3-14-17-18%2822%2920%2815-10-6-4-7-11-15%2921%2819%2817%2923%2916-12-8-5-9-13-16%2Fh4-13%2C17H%2C2-3%2C14H2%2C1H3, 11.2287511825562, 0.304939985275269, , , , , , , , 5.3017749786377, -0.353775352239609, 16.0060291290283, , , , 11.9884271621704, , , , , , , 
-InChI%3D1S%2FC10H14N4O4%2Fc1-12-8-7%289%2817%2913%282%2910%2812%2918%2914%285-11-8%293-6%2816%294-15%2Fh5-6%2C15-16H%2C3-4H2%2C1-2H3, 9.70104217529297, 0.28537791967392, , , , , , , , 4.17924976348877, -0.393298536539078, 15.997932434082, , , , 11.993426322937, , , , , , , 
-InChI%3D1S%2FC19H25N5O4%2Fc1-26-15-10-12-13%2811-16%2815%2927-2%2921-19%2822-17%2812%2920%2924-7-5-23%286-8-24%2918%2825%2914-4-3-9-28-14%2Fh10-11%2C14H%2C3-9H2%2C1-2H3%2C%28H2%2C20%2C21%2C22%29, 10.454686164856, 0.231850892305374, , , , , , , , 5.01596593856812, -0.387696653604507, 15.998984336853, , , , 11.996657371521, , , , , , , 
-InChI%3D1S%2FC28H37FO7%2Fc1-15%282%2924%2834%2936-28%2823%2833%2914-35-17%284%2930%2916%283%2911-21-20-8-7-18-12-19%2831%299-10-25%2818%2C5%2927%2820%2C29%2922%2832%2913-26%2821%2C28%296%2Fh9-10%2C12%2C15-16%2C20-22%2C32H%2C7-8%2C11%2C13-14H2%2C1-6H3%2Ft16-%2C20-%2C21%3F%2C22-%2C25-%2C26-%2C27%3F%2C28-%2Fm0%2Fs1, 13.6123065948486, 0.265041351318359, , , , , , , , 3.92924451828003, -0.389564514160156, 18.9984092712402, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC17H35N5O6%2Fc1-7%2819%299-5-4-8%2820%2917%2827-9%2928-15-11%2821%2913%2824%2916%2826-3%2912%2814%2815%2925%2922%282%2910%2823%296-18%2Fh7-9%2C11-17%2C24-25H%2C4-6%2C18-21H2%2C1-3H3%2Ft7-%2C8%3F%2C9-%2C11-%2C12-%2C13-%2C14%2B%2C15%3F%2C16%3F%2C17%2B%2Fm0%2Fs1, 11.015172958374, 0.2166797965765, , , , , , , , 4.99454641342163, -0.389076054096222, 15.9999551773071, , , , 11.9933195114136, , , , , , , 
-InChI%3D1S%2FC22H22N2O8%2Fc1-7-8-5-4-6-9%2825%2911%288%2916%2826%2912-10%287%2917%2827%2914-15%2824%282%293%2918%2828%2913%2821%2823%2931%2920%2830%2922%2814%2C32%2919%2812%2929%2Fh4-6%2C10%2C14-15%2C17%2C25%2C27-29%2C32H%2C1H2%2C2-3H3%2C%28H2%2C23%2C31%29%2Ft10-%2C14-%2C15%2B%2C17%2B%2C22%2B%2Fm1%2Fs1, 12.7026309967041, 0.207854688167572, , , , , , , , 5.51409149169922, -0.3917136490345, 16.0025768280029, , , , 11.9961414337158, , , , , , , 
-InChI%3D1S%2FC18H23NO%2Fc1-15-9-7-8-12-17%2815%2918%2820-14-13-19%282%293%2916-10-5-4-6-11-16%2Fh4-12%2C18H%2C13-14H2%2C1-3H3, 10.945821762085, 0.0774930492043495, , , , , , , , 5.61736726760864, -0.374945431947708, 15.9949197769165, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC4H6O4%2Fc5-3%286%291-2-4%287%298%2Fh1-2H2%2C%28H%2C5%2C6%29%28H%2C7%2C8%29, 6.3511323928833, 0.279268532991409, , , , , , , , 3.61309385299683, -0.351374834775925, 15.9992818832397, , , , 11.9964609146118, , , , , , , 
-InChI%3D1S%2FC9H8O4%2Fc1-6%2810%2913-8-5-3-2-4-7%288%299%2811%2912%2Fh2-5H%2C1H3%2C%28H%2C11%2C12%29, 8.64420509338379, 0.289216130971909, , , , , , , , 3.98539710044861, -0.350527822971344, 15.9992866516113, , , , 11.9962692260742, , , , , , , 
-InChI%3D1S%2FC17H16ClN3O%2Fc18-12-5-6-15-13%2811-12%2917%2821-9-7-19-8-10-21%2920-14-3-1-2-4-16%2814%2922-15%2Fh1-6%2C11%2C19H%2C7-10H2, 11.4791069030762, 0.2136210501194, , , , , , , , 6.45376968383789, -0.357574641704559, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC27H43NO9%2Fc1-11-4-5-14-24%283%2C34%2916-12%2810-28%2814%299-11%2913-8-25-21%2826%2813%2C35%2922%2833%2917%2816%2930%2919%2832%2918%2831%2920-23%2825%2C2%297-6-15%2829%2927%2820%2C36%2937-25%2Fh11-22%2C29-36H%2C4-10H2%2C1-3H3%2Ft11-%2C12%3F%2C13-%2C14-%2C15-%2C16%2B%2C17%2B%2C18-%2C19%2B%2C20-%2C21%2B%2C22-%2C23-%2C24%2B%2C25%3F%2C26%3F%2C27%3F%2Fm0%2Fs1, 13.4967546463013, 0.199364870786667, , , , , , , , 5.66674184799194, -0.412114083766937, 16.003511428833, , , , 11.9961223602295, , , , , , , 
-InChI%3D1S%2FC7H11NO2%2Fc1-3-7%282%294-5%289%298-6%287%2910%2Fh3-4H2%2C1-2H3%2C%28H%2C8%2C9%2C10%29, 9.4951286315918, 0.254155784845352, , , , , , , , 4.71386528015137, -0.371349394321442, 15.9982604980469, , , , 11.996319770813, , , , , , , 
-InChI%3D1S%2FC16H16N2O6S2%2Fc1-8%2819%2924-6-9-7-26-15-12%2814%2821%2918%2815%2913%289%2916%2822%2923%2917-11%2820%295-10-3-2-4-25-10%2Fh2-4%2C12%2C15H%2C5-7H2%2C1H3%2C%28H%2C17%2C20%29%28H%2C22%2C23%29%2Ft12-%2C15-%2Fm1%2Fs1, 11.8261747360229, 0.302317976951599, , , , , , , , 3.97263264656067, -0.348353058099747, 31.9730739593506, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC27H29NO10%2Fc1-10-22%2830%2914%2828%297-17%2837-10%2938-16-9-27%2835%2C11%282%2929%298-13-19%2816%2926%2834%2921-20%2824%2813%2932%2923%2831%2912-5-4-6-15%2836-3%2918%2812%2925%2821%2933%2Fh4-6%2C10%2C14%2C16-17%2C22%2C30%2C32%2C34-35H%2C7-9%2C28H2%2C1-3H3%2Ft10-%2C14-%2C16-%2C17-%2C22%2B%2C27-%2Fm0%2Fs1, 11.5444583892822, 0.216810584068298, , , , , , , , 4.95513248443604, -0.389039248228073, 16.0039882659912, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5%2C9H%2C1H3, 8.29402923583984, 0.269177913665771, , , , , , , , 4.37141132354736, -0.385724753141403, 15.9969205856323, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H17ClN2O%2Fc20-15-8-9-17-16%2810-15%2919%2814-4-2-1-3-5-14%2921-11-18%2823%2922%2817%2912-13-6-7-13%2Fh1-5%2C8-10%2C13H%2C6-7%2C11-12H2, 11.8625431060791, 0.225042581558228, , , , , , , , 5.3726749420166, -0.283078253269196, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC9H13N3O5%2Fc10-5-1-2-12%289%2816%2911-5%298-7%2815%296%2814%294%283-13%2917-8%2Fh1-2%2C4%2C6-8%2C13-15H%2C3H2%2C%28H2%2C10%2C11%2C16%29%2Ft4%3F%2C6-%2C7%2B%2C8%3F%2Fm1%2Fs1, 9.50398254394531, 0.191999182105064, , , , , , , , 4.31097507476807, -0.393614411354065, 15.9999990463257, , , , 11.9962682723999, , , , , , , 
-InChI%3D1S%2FC10H14N4O3%2Fc1-6%2815%294-14-5-11-8-7%2814%299%2816%2913%283%2910%2817%2912%288%292%2Fh5-6%2C15H%2C4H2%2C1-3H3, 9.67163562774658, 0.285373628139496, , , , , , , , 4.79899883270264, -0.391507744789124, 15.9969282150269, , , , 11.993426322937, , , , , , , 
-InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3, 8.34988117218018, 0.239154517650604, , , , , , , , 3.4881227016449, -0.394438713788986, 16.0169334411621, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC14H10N2O6%2Fc17-11-3-1-7%285-9%2811%2913%2819%2920%2915-16-8-2-4-12%2818%2910%286-8%2914%2821%2922%2Fh1-6%2C17-18H%2C%28H%2C19%2C20%29%28H%2C21%2C22%29, 8.90949630737305, 0.270830541849136, , , , , , , , 4.23720788955688, -0.408001244068146, 16.0008010864258, , , , 11.9961957931519, , , , , , , 
-InChI%3D1S%2FC11H11ClO3%2Fc1-2-5-15-10-4-3-8%286-9%2810%2912%297-11%2813%2914%2Fh2-4%2C6H%2C1%2C5%2C7H2%2C%28H%2C13%2C14%29, 9.53103828430176, 0.259507030248642, , , , , , , , 3.96836829185486, -0.364488810300827, 34.9693794250488, , , , 11.9985275268555, , , , , , , 
-InChI%3D1S%2FC13H21NO3%2Fc1-13%282%2C3%2914-7-12%2817%299-4-5-11%2816%2910%286-9%298-15%2Fh4-6%2C12%2C14-17H%2C7-8H2%2C1-3H3, 9.46235656738281, 0.107382908463478, , , , , , , , 4.50658464431763, -0.395298779010773, 15.9969263076782, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC11H21N%2Fc1-10%282%298-5-6-9%287-8%2911%2810%2C3%2912-4%2Fh8-9%2C12H%2C5-7H2%2C1-4H3, 11.2227582931519, 0.0763752087950706, , , , , , , , 6.05374526977539, -0.313406586647034, 14.0030794143677, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC14H21N3O3S%2Fc1-12-6-8-13%289-7-12%2921%2819%2C20%2916-14%2818%2915-17-10-4-2-3-5-11-17%2Fh6-9H%2C2-5%2C10-11H2%2C1H3%2C%28H2%2C15%2C16%2C18%29, 11.441086769104, 0.261671155691147, , , , , , , , 5.96865653991699, -0.354408711194992, 31.9720726013184, , , , 11.9961957931519, , , , , , , 
-InChI%3D1S%2FC19H19NOS%2Fc1-20-9-6-13%287-10-20%2918-15-5-3-2-4-14%2815%2912-17%2821%2919-16%2818%298-11-22-19%2Fh2-5%2C8%2C11H%2C6-7%2C9-10%2C12H2%2C1H3, 13.1493520736694, 0.152177453041077, , , , , , , , 5.96254730224609, -0.335211843252182, 31.9720726013184, , , , 11.9943056106567, , , , , , , 
-InChI%3D1S%2FC28H31FN4O%2Fc1-34-25-12-8-21%289-13-25%2914-17-32-18-15-24%2816-19-32%2930-28-31-26-4-2-3-5-27%2826%2933%2828%2920-22-6-10-23%2829%2911-7-22%2Fh2-13%2C24H%2C14-20H2%2C1H3%2C%28H%2C30%2C31%29, 11.2656307220459, 0.211823791265488, , , , , , , , 4.04842615127563, -0.373959451913834, 18.9984092712402, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC14H21N3O3S%2Fc1-10-7-8-12%289-13%2810%2915%2921%2819%2C20%2917-14%2818%2916-11-5-3-2-4-6-11%2Fh7-9%2C11H%2C2-6%2C15H2%2C1H3%2C%28H2%2C16%2C17%2C18%29, 11.7234296798706, 0.227884829044342, , , , , , , , 5.9858341217041, -0.335218340158463, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC8H8F3N3O4S2%2Fc9-8%2810%2C11%294-1-5-7%282-6%284%2919%2812%2C15%2916%2920%2817%2C18%2914-3-13-5%2Fh1-2%2C13-14H%2C3H2%2C%28H2%2C12%2C15%2C16%29, 12.4996395111084, 0.397637635469437, , , , , , , , 4.20017957687378, -0.294333279132843, 31.9734706878662, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC28H31N3O6%2Fc1-18-24%2827%2832%2936-3%2926%2821-11-7-12-22%2815-21%2931%2834%2935%2925%2819%282%2929-18%2928%2833%2937-23-13-8-14-30%2817-23%2916-20-9-5-4-6-10-20%2Fh4-7%2C9-12%2C15%2C23%2C26%2C29H%2C8%2C13-14%2C16-17H2%2C1-3H3%2Ft23-%2C26-%2Fm1%2Fs1, 13.0617532730103, 0.292331784963608, , , , , , , , 3.79280257225037, -0.315589427947998, 15.9999656677246, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC20H31NO%2Fc22-20%2818-10-4-1-5-11-18%2C19-12-6-2-7-13-19%2914-17-21-15-8-3-9-16-21%2Fh1%2C4-5%2C10-11%2C19%2C22H%2C2-3%2C6-9%2C12-17H2, 12.118537902832, 0.146823391318321, , , , , , , , 6.79742765426636, -0.388371109962463, 15.9949197769165, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC21H26O2%2Fc1-4-21%2822%2912-10-19-18-7-5-14-13-15%2823-3%296-8-16%2814%2917%2818%299-11-20%2819%2C21%292%2Fh1%2C6%2C8%2C13%2C17-19%2C22H%2C5%2C7%2C9-12H2%2C2-3H3%2Ft17-%2C18%3F%2C19%2B%2C20%3F%2C21%2B%2Fm1%2Fs1, 12.0234994888306, 0.131243318319321, , , , , , , , 4.88386726379395, -0.376876085996628, 15.995924949646, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC18H26ClN3O%2Fc1-3-22%2811-12-23%2910-4-5-14%282%2921-17-8-9-20-18-13-15%2819%296-7-16%2817%2918%2Fh6-9%2C13-14%2C23H%2C3-5%2C10-12H2%2C1-2H3%2C%28H%2C20%2C21%29, 10.3184585571289, 0.200236707925797, , , , , , , , 4.16055727005005, -0.394480258226395, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC15H14FN3O3%2Fc1-3-22-15%2821%2913-12-7-18%282%2914%2820%2910-6-9%2816%294-5-11%2810%2919%2812%298-17-13%2Fh4-6%2C8H%2C3%2C7H2%2C1-2H3, 10.4669742584229, 0.288182139396667, , , , , , , , 4.32692909240723, -0.314420461654663, 18.9984073638916, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H21N5O2%2Fc1-22-9-11-23%2812-10-22%2913-17%2825%2924-16-7-3-2-5-14%2816%2919%2826%2921-15-6-4-8-20-18%2815%2924%2Fh2-8H%2C9-13H2%2C1H3%2C%28H%2C21%2C26%29, 11.7552051544189, 0.219273149967194, , , , , , , , 5.84389972686768, -0.371213734149933, 15.9982681274414, , , , 11.9961566925049, , , , , , , 
-InChI%3D1S%2FC18H24I3N3O8%2Fc1-24%284-9%2828%296-26%2918%2831%2912-13%2819%2911%2817%2830%2922-3-8%2827%295-25%2914%2820%2916%2815%2812%2921%2923-10%2829%297-32-2%2Fh8-9%2C25-28H%2C3-7H2%2C1-2H3%2C%28H%2C22%2C30%29%28H%2C23%2C29%29, 17.3834571838379, 0.212917804718018, , , , , , , , 4.18261909484863, -0.394031405448914, 126.906471252441, , , , 11.9961633682251, , , , , , , 
-InChI%3D1S%2FC10H20O2%2Fc1-9%282%2C11%298-4-6-10%283%2C12%297-5-8%2Fh8%2C11-12H%2C4-7H2%2C1-3H3, 9.52000713348389, 0.0881293639540672, , , , , , , , 5.46700382232666, -0.414902478456497, 15.9982604980469, , , , 11.9962491989136, , , , , , , 
-InChI%3D1S%2FC10H13N5O4%2Fc11-8-5-9%2813-2-12-8%2915%283-14-5%2910-7%2818%296%2817%294%281-16%2919-10%2Fh2-4%2C6-7%2C10%2C16-18H%2C1H2%2C%28H2%2C11%2C12%2C13%29%2Ft4%3F%2C6-%2C7-%2C10%3F%2Fm1%2Fs1, 9.67030334472656, 0.295444548130035, , , , , , , , 4.31617259979248, -0.393273174762726, 15.997935295105, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC5H11NO2%2Fc1-6%282%2C3%294-5%287%298%2Fh4H2%2C1-3H3, 8.45180797576904, 0.368237465620041, , , , , , , , 3.78867554664612, -0.376564234495163, 15.9959182739258, , , , 11.993597984314, , , , , , , 
-InChI%3D1S%2FC10H22Cl2N2O4%2Fc11-1-3-13-5-7%2815%299%2817%2910%2818%298%2816%296-14-4-2-12%2Fh7-10%2C13-18H%2C1-6H2%2Ft7-%2C8-%2C9-%2C10-%2Fm1%2Fs1, 8.61264610290527, 0.11222230643034, , , , , , , , 5.22346878051758, -0.389447957277298, 34.970157623291, , , , 11.9985313415527, , , , , , , 
-InChI%3D1S%2FC33H49NO10S%2Fc1-21-17-23-24-12-14-33%2840%2C32%2824%2C3%2919-26%2836%2930%2823%2931%282%2913-11-22%2835%2918-25%2821%2931%2927%2837%2920-44-29%2839%2910-8-6-5-7-9-28%2838%2934%284%2915-16-45%2841%2C42%2943%2Fh11%2C13%2C18%2C21%2C23-24%2C26%2C30%2C36%2C40H%2C5-10%2C12%2C14-17%2C19-20H2%2C1-4H3%2C%28H%2C41%2C42%2C43%29%2Ft21-%2C23-%2C24%3F%2C26-%2C30%3F%2C31-%2C32-%2C33-%2Fm0%2Fs1, 13.1209983825684, 0.266564607620239, , , , , , , , 4.50172424316406, -0.392652779817581, 31.9720726013184, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC24H31N3O2S%2Fc1-2-22%2829%2919-8-9-24-21%2818-19%2927%2820-6-3-4-7-23%2820%2930-24%2911-5-10-25-12-14-26%2815-13-25%2916-17-28%2Fh3-4%2C6-9%2C18%2C28H%2C2%2C5%2C10-17H2%2C1H3, 12.1722135543823, 0.140409797430038, , , , , , , , 4.12778520584106, -0.394830167293549, 31.9720726013184, , , , 11.9942722320557, , , , , , , 
-InChI%3D1S%2FC11H12Cl2N2O%2Fc1-7%2811-14-5-6-15-11%2916-10-8%2812%293-2-4-9%2810%2913%2Fh2-4%2C7H%2C5-6H2%2C1H3%2C%28H%2C14%2C15%29, 10.3398218154907, 0.157235816121101, , , , , , , , 6.591712474823, -0.356105744838715, 34.9698524475098, , , , 11.994402885437, , , , , , , 
-InChI%3D1S%2FC10H24N2O2%2Fc1-3-9%287-13%2911-5-6-12-10%284-2%298-14%2Fh9-14H%2C3-8H2%2C1-2H3%2Ft9-%2C10-%2Fm0%2Fs1, 8.34558296203613, 0.0844773948192596, , , , , , , , 4.37823724746704, -0.419464737176895, 15.9982624053955, , , , 11.9962491989136, , , , , , , 
-InChI%3D1S%2FC12H18O2%2Fc1-2-3-4-5-6-10-7-8-11%2813%299-12%2810%2914%2Fh7-9%2C13-14H%2C2-6H2%2C1H3, 9.01314926147461, 0.130991920828819, , , , , , , , 4.80772256851196, -0.408762246370316, 15.9982614517212, , , , 11.9962186813354, , , , , , , 
-InChI%3D1S%2FC11H12N2O2S%2Fc1-7%2813%2815%2911%2812%2914%2910-6-8-4-2-3-5-9%288%2916-10%2Fh2-7%2C15H%2C1H3%2C%28H2%2C12%2C14%29, 11.8006067276001, 0.234666258096695, , , , , , , , 4.95162296295166, -0.334352910518646, 31.9731979370117, , , , 11.9979801177979, , , , , , , 
-InChI%3D1S%2FC8H10N6%2Fc9-11-7-5-3-1-2-4-6%285%298%2812-10%2914-13-7%2Fh1-4H%2C9-10H2%2C%28H%2C11%2C13%29%28H%2C12%2C14%29, 10.2198858261108, 0.205844953656197, , , , , , , , 5.13043737411499, -0.226697504520416, 14.0080986022949, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC42H69NO15%2Fc1-23%282%2919-32%2847%2956-40-27%286%2953-34%2822-42%2840%2C8%2950%2957-37-26%285%2954-41%2836%2849%2935%2837%2943%289%2910%2958-38-29%2817-18-44%2920-24%283%2930%2846%2916-14-12-13-15-25%284%2952-33%2848%2921-31%2839%2838%2951-11%2955-28%287%2945%2Fh12-14%2C16%2C18%2C23-27%2C29-31%2C34-41%2C46%2C49-50H%2C15%2C17%2C19-22H2%2C1-11H3%2Fb13-12-%2C16-14-%2Ft24-%2C25-%2C26-%2C27%2B%2C29%3F%2C30%2B%2C31-%2C34%2B%2C35-%2C36-%2C37-%2C38%2B%2C39%3F%2C40-%2C41%3F%2C42-%2Fm1%2Fs1, 11.9405651092529, 0.265355944633484, , , , , , , , 4.03156995773315, -0.408759564161301, 16.0093898773193, , , , 11.9960908889771, , , , , , , 
-InChI%3D1S%2FC5H5N5%2Fc6-4-3-5%289-1-7-3%2910-2-8-4%2Fh1-2H%2C%28H3%2C6%2C7%2C8%2C9%2C10%29, 8.19292449951172, 0.302288502454758, , , , , , , , 5.61955165863037, -0.307506501674652, 14.0070867538452, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC40H52O2%2Fc1-29%2817-13-19-31%283%2921-23-35-33%285%2937%2841%2925-27-39%2835%2C7%298%2915-11-12-16-30%282%2918-14-20-32%284%2922-24-36-34%286%2938%2842%2926-28-40%2836%2C9%2910%2Fh11-24H%2C25-28H2%2C1-10H3, 11.4875774383545, 0.160131141543388, , , , , , , , 5.12762975692749, -0.295044124126434, 15.9959344863892, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC11H17N%2Fc1-11%282%2C12-3%299-10-7-5-4-6-8-10%2Fh4-8%2C12H%2C9H2%2C1-3H3, 9.68135166168213, 0.129065096378326, , , , , , , , 5.66839170455933, -0.314455211162567, 14.0030794143677, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC15H11I4NO4%2Fc16-8-4-7%285-9%2817%2913%288%2921%2924-14-10%2818%291-6%282-11%2814%2919%293-12%2820%2915%2822%2923%2Fh1-2%2C4-5%2C12%2C21H%2C3%2C20H2%2C%28H%2C22%2C23%29%2Ft12-%2Fm0%2Fs1, 15.0105276107788, 0.275979369878769, , , , , , , , 4.26463174819946, -0.383496135473251, 126.907470703125, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H29IO2%2Fc1-3-22-19%2821%2915-9-7-5-4-6-8-12-16%282%2917-13-10-11-14-18%2817%2920%2Fh10-11%2C13-14%2C16H%2C3-9%2C12%2C15H2%2C1-2H3, 13.2217741012573, 0.261521726846695, , , , , , , , 4.19647836685181, -0.315973162651062, 126.904579162598, , , , 11.9989023208618, , , , , , , 
-InChI%3D1S%2FC27H20N4O9S2.2Na%2Fc32-14-15-13-22%2830-28-20-9-11-23%2841%2835%2C36%2937%2918-7-3-1-5-16%2818%2920%2927%2834%2925%2826%2815%2933%2931-29-21-10-12-24%2842%2838%2C39%2940%2919-8-4-2-6-17%2819%2921%3B%3B%2Fh1-13%2C32-34H%2C14H2%2C%28H%2C35%2C36%2C37%29%28H%2C38%2C39%2C40%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb30-28%2B%2C31-29%2B%3B%3B, 11.8529272079468, 0.275837153196335, , , , , , , , -0.00100000004749745, -0.395086735486984, 31.9730758666992, , , , 11.9961223602295, , , , , , , 
-InChI%3D1S%2FC19H21ClN4O5%2Fc1-19%282%2C29-13-7-5-12%2820%296-8-13%2917%2826%2928-10-9-24-11-21-15-14%2824%2916%2825%2923%284%2918%2827%2922%2815%293%2Fh5-8%2C11H%2C9-10H2%2C1-4H3, 9.71467685699463, 0.293597042560577, , , , , , , , 4.92627000808716, -0.354647278785706, 34.9688529968262, , , , 11.9933004379272, , , , , , , 
-InChI%3D1S%2FC11H17NO3%2Fc1-7%2812%2911%2813%299-6-8%2814-2%294-5-10%289%2915-3%2Fh4-7%2C11%2C13H%2C12H2%2C1-3H3, 9.77619457244873, 0.111260287463665, , , , , , , , 4.86420631408691, -0.390341997146606, 15.9969244003296, , , , 11.9934062957764, , , , , , , 
-InChI%3D1S%2FC18H19N3O%2Fc1-12-19-9-10-21%2812%2911-13-7-8-16-17%2818%2813%2922%2914-5-3-4-6-15%2814%2920%2816%292%2Fh3-6%2C9-10%2C13H%2C7-8%2C11H2%2C1-2H3, 10.9604196548462, 0.177732557058334, , , , , , , , 5.80683612823486, -0.298239052295685, 15.9949207305908, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC23H24N2O4S%2Fc1-2-3-6-21-24-14-19%2812-18%2823%2828%2929%2913-20-5-4-11-30-20%2925%2821%2915-16-7-9-17%2810-8-16%2922%2826%2927%2Fh4-5%2C7-12%2C14H%2C2-3%2C6%2C13%2C15H2%2C1H3%2C%28H%2C26%2C27%29%28H%2C28%2C29%29, 11.2886362075806, 0.287750989198685, , , , , , , , 4.14670991897583, -0.350733608007431, 31.9720726013184, , , , 11.9961366653442, , , , , , , 
-InChI%3D1S%2FC19H23N3O4S%2Fc1-18%282%2913%2817%2825%2926%2921-15%2824%2912%2816%2821%2927-18%2922-14%2823%2911%2820-19%2822%2C3%294%2910-8-6-5-7-9-10%2Fh5-9%2C11-13%2C16%2C20H%2C1-4H3%2C%28H%2C25%2C26%29%2Ft11%3F%2C12-%2C13%2B%2C16-%2Fm1%2Fs1, 12.4619045257568, 0.278273731470108, , , , , , , , 4.82165861129761, -0.330386012792587, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC16H19BrN2%2Fc1-19%282%2912-10-15%2816-5-3-4-11-18-16%2913-6-8-14%2817%299-7-13%2Fh3-9%2C11%2C15H%2C10%2C12H2%2C1-2H3%2Ft15-%2Fm0%2Fs1, 11.4253196716309, 0.127374097704887, , , , , , , , 5.82632398605347, -0.308939933776855, 78.9183349609375, , , , 11.9883317947388, , , , , , , 
-InChI%3D1S%2FC21H18ClNO6%2Fc1-12-16%2810-20%2826%2929-11-19%2824%2925%2917-9-15%2828-2%297-8-18%2817%2923%2812%2921%2827%2913-3-5-14%2822%296-4-13%2Fh3-9H%2C10-11H2%2C1-2H3%2C%28H%2C24%2C25%29, 11.4001054763794, 0.285767436027527, , , , , , , , 3.60290050506592, -0.373953849077225, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H20N2O6S%2Fc1-17%282%2912%2816%2822%2923%2919-14%2821%2911%2815%2819%2926-17%2918-13%2820%2910-8%2824-3%296-5-7-9%2810%2925-4%2Fh5-7%2C11-12%2C15H%2C1-4H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft11%3F%2C12-%2C15%2B%2Fm0%2Fs1, 12.0993337631226, 0.278266042470932, , , , , , , , 4.78072071075439, -0.373935133218765, 31.9720726013184, , , , 11.9961700439453, , , , , , , 
-InChI%3D1S%2FC30H30O8%2Fc1-11%282%2919-15-7-13%285%2921%2827%2835%2923%2815%2917%289-31%2925%2833%2929%2819%2937%2922-14%286%298-16-20%2812%283%294%2930%2838%2926%2834%2918%2810-32%2924%2816%2928%2822%2936%2Fh7-12%2C33-38H%2C1-6H3, 12.2456588745117, 0.17075103521347, , , , , , , , 4.46602487564087, -0.386254370212555, 16.0019760131836, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC21H32O3%2Fc1-12%2822%2916-6-7-17-15-5-4-13-10-14%2823%298-9-20%2813%2C2%2919%2815%2918%2824%2911-21%2816%2C17%293%2Fh13-17%2C19%2C23H%2C4-11H2%2C1-3H3%2Ft13-%2C14%2B%2C15%3F%2C16%2B%2C17-%2C19%2B%2C20%3F%2C21%3F%2Fm0%2Fs1, 12.4097175598145, 0.137785792350769, , , , , , , , 4.9991569519043, -0.392872840166092, 15.9969301223755, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC3H7NO2S%2Fc4-2%281-7%293%285%296%2Fh2%2C7H%2C1%2C4H2%2C%28H%2C5%2C6%29%2Ft2-%2Fm0%2Fs1, 8.24788475036621, 0.296020358800888, , , , , , , , 4.05568313598633, -0.349646210670471, 31.9720706939697, , , , 11.9965486526489, , , , , , , 
-InChI%3D1S%2FC13H13N5O5S2%2Fc1-23-17-7%285-4-25-13%2814%2915-5%299%2819%2916-8-10%2820%2918-6%2812%2821%2922%292-3-24-11%288%2918%2Fh2%2C4%2C8%2C11H%2C3H2%2C1H3%2C%28H2%2C14%2C15%29%28H%2C16%2C19%29%28H%2C21%2C22%29%2Fb17-7%2B%2Ft8-%2C11-%2Fm1%2Fs1, 11.6527490615845, 0.30193504691124, , , , , , , , 4.53943300247192, -0.343641370534897, 31.9730739593506, , , , 11.9943695068359, , , , , , , 
-InChI%3D1S%2FC6H9NO6%2Fc8-3-1-11-6-4%2813-7%289%2910%292-12-5%283%296%2Fh3-6%2C8H%2C1-2H2%2Ft3-%2C4%3F%2C5%3F%2C6%2B%2Fm0%2Fs1, 8.01316070556641, 0.216605201363564, , , , , , , , 2.96357035636902, -0.387506723403931, 15.9999265670776, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC20H24O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C5%2C7%2C12%2C16-18%2C21-22H%2C4%2C6%2C8-11H2%2C2H3%2Ft16-%2C17%3F%2C18%3F%2C19%2B%2C20%2B%2Fm1%2Fs1, 12.0185880661011, 0.13122121989727, , , , , , , , 5.04074144363403, -0.385823905467987, 15.995924949646, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC25H29I2NO3%2Fc1-4-7-11-22-23%2818-10-8-9-12-21%2818%2931-22%2924%2829%2917-15-19%2826%2925%2820%2827%2916-17%2930-14-13-28%285-2%296-3%2Fh8-10%2C12%2C15-16H%2C4-7%2C11%2C13-14H2%2C1-3H3, 14.7186441421509, 0.177400171756744, , , , , , , , 5.27742290496826, -0.367542147636414, 126.905471801758, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC25H27N9O8S2%2Fc1-3-32-8-9-33%2821%2839%2920%2832%2938%2924%2842%2927-15%2812-4-6-14%2835%297-5-12%2918%2836%2926-16-19%2837%2934-17%2823%2840%2941%2913%2810-43-22%2816%2934%2911-44-25-28-29-30-31%2825%292%2Fh4-7%2C15-16%2C22%2C35H%2C3%2C8-11H2%2C1-2H3%2C%28H%2C26%2C36%29%28H%2C27%2C42%29%28H%2C40%2C41%29%2Ft15-%2C16%3F%2C22-%2Fm1%2Fs1, 12.3200082778931, 0.356862604618073, , , , , , , , 4.84796762466431, -0.385856777429581, 31.9730758666992, , , , 11.9883699417114, , , , , , , 
-InChI%3D1S%2FC16H14O3%2Fc17-15%2810-11-16%2818%2919%2914-8-6-13%287-9-14%2912-4-2-1-3-5-12%2Fh1-9H%2C10-11H2%2C%28H%2C18%2C19%29, 9.72062301635742, 0.259002298116684, , , , , , , , 3.79427075386047, -0.331722438335419, 15.9969263076782, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC9H13N3O%2Fc1-7%282%2911-12-9%2813%298-3-5-10-6-4-8%2Fh3-7%2C11H%2C1-2H3%2C%28H%2C12%2C13%29, 8.72674751281738, 0.221419796347618, , , , , , , , 4.91811800003052, -0.278633832931519, 15.9949188232422, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC23H29ClO4%2Fc1-13%2825%2923%2828-14%282%2926%2910-7-18-16-12-20%2824%2919-11-15%2827%295-8-21%2819%2C3%2917%2816%296-9-22%2818%2C23%294%2Fh11-12%2C16-18H%2C5-10H2%2C1-4H3%2Ft16%3F%2C17-%2C18-%2C21%2B%2C22-%2C23-%2Fm0%2Fs1, 13.1174736022949, 0.259080708026886, , , , , , , , 4.4255805015564, -0.30120986700058, 34.9688529968262, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC20H28O2%2Fc1-15%288-6-9-16%282%2914-19%2821%2922%2911-12-18-17%283%2910-7-13-20%2818%2C4%295%2Fh6%2C8-9%2C11-12%2C14H%2C7%2C10%2C13H2%2C1-5H3%2C%28H%2C21%2C22%29, 11.4014654159546, 0.283647835254669, , , , , , , , 4.00760269165039, -0.328210473060608, 15.995924949646, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC10H14N5O4%2Fc1-5-3-15%2810%2818%2912-9%285%2917%298-2-6%2813-14-11%297%284-16%2919-8%2Fh3%2C6-8%2C11%2C16H%2C2%2C4H2%2C1H3%2C%28H%2C12%2C17%2C18%29%2Ft6-%2C7%3F%2C8%2B%2Fm0%2Fs1, 9.67335796356201, 0.350982338190079, , , , , , , , 3.73029279708862, -0.393123865127563, 16.0062866210938, , , , 11.9885759353638, , , , , , , 
-InChI%3D1S%2FC17H21NO4%2Fc1-18-13-7-11%288-14%2818%2916-15%2813%2922-16%2921-17%2820%2912%289-19%2910-5-3-2-4-6-10%2Fh2-6%2C11-16%2C19H%2C7-9H2%2C1H3%2Ft11-%2C12-%2C13-%2C14%2B%2C15%3F%2C16%2B%2Fm1%2Fs1, 9.80099582672119, 0.267793774604797, , , , , , , , 4.74829721450806, -0.394967764616013, 15.9979333877563, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC10H12ClNO4%2Fc11-7-1-3-9%284-2-7%2915-5-8%2813%296-16-10%2812%2914%2Fh1-4%2C8%2C13H%2C5-6H2%2C%28H2%2C12%2C14%29, 8.41484069824219, 0.275550305843353, , , , , , , , 4.14898061752319, -0.388135582208633, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC11H16N2O3%2Fc1-4-5-11%286-7%282%293%298%2814%2912-10%2816%2913-9%2811%2915%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 11.7525043487549, 0.371294051408768, , , , , , , , 4.31874465942383, -0.369960874319077, 15.9987077713013, , , , 11.9962329864502, , , , , , , 
-InChI%3D1S%2FC17H22NO%2Fc1-18%282%2C15-16-9-5-3-6-10-16%2913-14-19-17-11-7-4-8-12-17%2Fh3-12H%2C13-15H2%2C1-2H3%2Fq%2B1, 10.3870000839233, 0.135638847947121, , , , , , , , 6.48190546035767, -0.369460374116898, 15.9949197769165, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC29H32O13%2Fc1-11-36-9-20-27%2840-11%2924%2831%2925%2832%2929%2841-20%2942-26-14-7-17-16%2838-10-39-17%296-13%2814%2921%2822-15%2826%298-37-28%2822%2933%2912-4-18%2834-2%2923%2830%2919%285-12%2935-3%2Fh4-7%2C11%2C15%2C20-22%2C24-27%2C29-32H%2C8-10H2%2C1-3H3%2Ft11-%2C15%3F%2C20%3F%2C21%3F%2C22%2B%2C24-%2C25-%2C26%3F%2C27-%2C29%3F%2Fm1%2Fs1, 12.7343015670776, 0.2652687728405, , , , , , , , 5.03664875030518, -0.387657910585403, 16.0070095062256, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC14H24N2O7%2Fc1-5-4-6%2817%2914%2820%2913%2821-5%2922-12-10%2819%297%2815-2%299%2818%298%2816-3%2911%2812%2923-14%2Fh5%2C7-13%2C15-16%2C18-20H%2C4H2%2C1-3H3%2Ft5-%2C7%3F%2C8%2B%2C9%2B%2C10%2B%2C11-%2C12%3F%2C13%2B%2C14%2B%2Fm1%2Fs1, 10.1371002197266, 0.280309289693832, , , , , , , , 5.00184535980225, -0.413217276334763, 16.0016593933105, , , , 11.9961957931519, , , , , , , 
-InChI%3D1S%2FC10H22N4%2Fc11-10%2812%2913-6-9-14-7-4-2-1-3-5-8-14%2Fh1-9H2%2C%28H4%2C11%2C12%2C13%29, 9.20211887359619, 0.141710445284843, , , , , , , , 5.01586294174194, -0.332128196954727, 14.0089263916016, , , , 11.9944229125977, , , , , , , 
-InChI%3D1S%2FCHBr3%2Fc2-1%283%294%2Fh1H, 11.954273223877, 0.243977874517441, , , , , , , , 8.25382423400879, -0.134466677904129, 78.9204025268555, , , , 11.9998188018799, , , , , , , 
-InChI%3D1S%2FC12H26N4O6%2Fc13-2-5-8%2818%299%2819%296%2816%2912%2821-5%2922-11-4%2815%291-3%2814%297%2817%2910%2811%2920%2Fh3-12%2C17-20H%2C1-2%2C13-16H2%2Ft3-%2C4%3F%2C5%3F%2C6-%2C7%2B%2C8-%2C9-%2C10-%2C11%3F%2C12%3F%2Fm1%2Fs1, 9.76884269714355, 0.176846012473106, , , , , , , , 5.19464445114136, -0.410472929477692, 16.0008029937744, , , , 11.9962186813354, , , , , , , 
-InChI%3D1S%2FC18H25NO%2Fc1-19-10-9-18-8-4-3-5-15%2818%2917%2819%2911-13-6-7-14%2820-2%2912-16%2813%2918%2Fh6-7%2C12%2C15%2C17H%2C3-5%2C8-11H2%2C1-2H3%2Ft15-%2C17%3F%2C18%3F%2Fm0%2Fs1, 12.8161630630493, 0.213138073682785, , , , , , , , 4.98007488250732, -0.373901873826981, 15.9949197769165, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC15H21N3O%2Fc1-11%285-3-7-16%2918-14-10-13%2819-2%299-12-6-4-8-17-15%2812%2914%2Fh4%2C6%2C8-11%2C18H%2C3%2C5%2C7%2C16H2%2C1-2H3, 10.2799835205078, 0.203337356448174, , , , , , , , 4.8763222694397, -0.373855769634247, 15.9949197769165, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H17ClFN3O5S%2Fc1-7-10%2812%2823-29-7%2911-8%2820%295-4-6-9%2811%2921%2915%2825%2922-13-16%2826%2924-14%2818%2827%2928%2919%282%2C3%2930-17%2813%2924%2Fh4-6%2C13-14%2C17H%2C1-3H3%2C%28H%2C22%2C25%29%28H%2C27%2C28%29%2Ft13%3F%2C14-%2C17%2B%2Fm0%2Fs1, 12.0958089828491, 0.278293073177338, , , , , , , , 4.77983474731445, -0.347816526889801, 34.9693794250488, , , , 11.9985094070435, , , , , , , 
-InChI%3D1S%2FC18H21NO3%2Fc1-19-8-7-18-11-4-5-13%2820%2917%2818%2922-16-14%2821-2%296-3-10%2815%2816%2918%299-12%2811%2919%2Fh3%2C6%2C11-12%2C17H%2C4-5%2C7-9H2%2C1-2H3%2Ft11-%2C12%3F%2C17-%2C18%3F%2Fm0%2Fs1, 12.9461889266968, 0.162163123488426, , , , , , , , 5.08698034286499, -0.371405363082886, 15.9969301223755, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC9H11FN2O5%2Fc10-4-2-12%289%2816%2911-8%284%2915%297-1-5%2814%296%283-13%2917-7%2Fh2%2C5-7%2C13-14H%2C1%2C3H2%2C%28H%2C11%2C15%2C16%29%2Ft5-%2C6%3F%2C7%2B%2Fm0%2Fs1, 9.20498180389404, 0.351113647222519, , , , , , , , 4.27588081359863, -0.393311947584152, 18.9984073638916, , , , 11.9886016845703, , , , , , , 
-InChI%3D1S%2FC23H46N6O13%2Fc24-2-7-13%2832%2915%2834%2910%2828%2921%2837-7%2940-18-6%2827%291-5%2826%2912%2831%2920%2818%2942-23-17%2836%2919%289%284-30%2939-23%2941-22-11%2829%2916%2835%2914%2833%298%283-25%2938-22%2Fh5-23%2C30-36H%2C1-4%2C24-29H2%2Ft5-%2C6%2B%2C7-%2C8%2B%2C9-%2C10-%2C11%3F%2C12%2B%2C13-%2C14-%2C15-%2C16-%2C17-%2C18-%2C19%3F%2C20%3F%2C21%3F%2C22-%2C23%2B%2Fm1%2Fs1, 10.5764465332031, 0.188279137015343, , , , , , , , 4.48378038406372, -0.393563091754913, 16.0070285797119, , , , 11.9932699203491, , , , , , , 
-InChI%3D1S%2FC49H76O21%2Fc1-20-43%2868-37-15-30%2853%2944%2821%282%2963-37%2969-38-16-32%2865-23%284%2951%2945%2822%283%2964-38%2970-46-42%2859%2941%2858%2940%2857%2933%2818-50%2967-46%2929%2852%2914-36%2862-20%2966-26-9-10-47%285%2925%2812-26%297-8-27-28%2847%2913-34%2855%2948%286%2939%2824-11-35%2856%2961-19-24%2931%2854%2917-49%2827%2C48%2960%2Fh11%2C20-22%2C25-34%2C36-46%2C50%2C52-55%2C57-60H%2C7-10%2C12-19H2%2C1-6H3%2Ft20-%2C21-%2C22-%2C25%3F%2C26%3F%2C27-%2C28%2B%2C29%2B%2C30%2B%2C31%3F%2C32%2B%2C33%3F%2C34%3F%2C36%2B%2C37%2B%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42-%2C43%3F%2C44%3F%2C45%3F%2C46%2B%2C47%3F%2C48%3F%2C49%3F%2Fm1%2Fs1, 13.1900415420532, 0.286668717861176, , , , , , , , 4.11607265472412, -0.410437166690826, 16.0153999328613, , , , 11.9960823059082, , , , , , , 
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-InChI%3D1S%2FC16H12FN3O3%2Fc1-19-14-7-6-10%2820%2822%2923%298-12%2814%2916%2818-9-15%2819%2921%2911-4-2-3-5-13%2811%2917%2Fh2-8H%2C9H2%2C1H3, 11.3477334976196, 0.224665448069572, , , , , , , , 3.79238080978394, -0.282990008592606, 19.0001354217529, , , , 11.9973964691162, , , , , , , 
-InChI%3D1S%2FC20H20N2O2%2Fc1-15%282%2913-14-18-19%2823%2921%2816-9-5-3-6-10-16%2922%2820%2818%2924%2917-11-7-4-8-12-17%2Fh3-13%2C18H%2C14H2%2C1-2H3, 11.2898931503296, 0.230663239955902, , , , , , , , 5.76628923416138, -0.279081791639328, 15.9959268569946, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC18H34O2.C2H7NO%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%3B3-1-2-4%2Fh9-10H%2C2-8%2C11-17H2%2C1H3%2C%28H%2C19%2C20%29%3B4H%2C1-3H2%2Fb10-9-%3B, 7.79511022567749, 0.278774529695511, , , , , , , , 3.5967321395874, -0.394512563943863, 15.9987115859985, , , , 11.996150970459, , , , , , , 
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-InChI%3D1S%2FC21H41N7O12%2Fc1-5-21%2836%2C4-30%2916%2840-17-9%2826-2%2913%2834%2910%2831%296%283-29%2938-17%2918%2837-5%2939-15-8%2828-20%2824%2925%2911%2832%297%2827-19%2822%2923%2912%2833%2914%2815%2935%2Fh5-18%2C26%2C29-36H%2C3-4H2%2C1-2H3%2C%28H4%2C22%2C23%2C27%29%28H4%2C24%2C25%2C28%29%2Ft5-%2C6%3F%2C7%2B%2C8%3F%2C9-%2C10-%2C11%2B%2C12-%2C13-%2C14%2B%2C15%2B%2C16-%2C17%3F%2C18%3F%2C21%2B%2Fm0%2Fs1, 10.9517784118652, 0.188307955861092, , , , , , , , 4.41356229782104, -0.410730749368668, 16.0064067840576, , , , 11.9961462020874, , , , , , , 
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-InChI%3D1S%2FC11H9I3N2O4%2Fc1-3%2817%2916-9-7%2813%294%2810%2818%2915-2%296%2812%295%288%289%2914%2911%2819%2920%2Fh1-2H3%2C%28H%2C15%2C18%29%28H%2C16%2C17%29%28H%2C19%2C20%29, 16.7542972564697, 0.269220054149628, , , , , , , , 5.5718822479248, -0.349164336919785, 126.906509399414, , , , 11.9989061355591, , , , , , , 
-InChI%3D1S%2FC18H21NO4%2Fc1-19-8-7-17-14-10-3-4-12%2822-2%2915%2814%2923-16%2817%2911%2820%295-6-18%2817%2C21%2913%2819%299-10%2Fh3-4%2C13%2C16%2C21H%2C5-9H2%2C1-2H3%2Ft13-%2C16%2B%2C17%2B%2C18-%2Fm1%2Fs1, 13.1736631393433, 0.162374824285507, , , , , , , , 5.09433269500732, -0.411418527364731, 15.9992961883545, , , , 11.9961633682251, , , , , , , 
-InChI%3D1S%2FC21H30NO4.BrH%2Fc1-3-4-10-22%282%2917-11-15%2812-18%2822%2920-19%2817%2926-20%2925-21%2824%2916%2813-23%2914-8-6-5-7-9-14%3B%2Fh5-9%2C15-20%2C23H%2C3-4%2C10-13H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft15-%2C16-%2C17-%2C18%3F%2C19%3F%2C20%2B%2C22%3F%3B%2Fm1.%2Fs1, 11.4909772872925, 0.267824292182922, , , , , , , , 3.49999332427979, -0.39498582482338, 78.9183349609375, , , , 11.8999996185303, , , , , , , 
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-InChI%3D1S%2FC20H25NO2%2Fc1-3-21%284-2%2915-16-23-20%2822%2919%2817-11-7-5-8-12-17%2918-13-9-6-10-14-18%2Fh5-14%2C19H%2C3-4%2C15-16H2%2C1-2H3, 11.2357110977173, 0.265889227390289, , , , , , , , 5.32865238189697, -0.314190417528152, 15.9959259033203, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC30H50O%2Fc1-8-22%2819%282%293%2910-9-20%284%2924-13-14-26-23-11-12-25-21%285%2928%2831%2916-18-30%2825%2C7%2927%2823%2915-17-29%2824%2C26%296%2Fh8%2C11%2C19-21%2C24-28%2C31H%2C9-10%2C12-18H2%2C1-7H3%2Ft20-%2C21%3F%2C24-%2C25%3F%2C26%2B%2C27%2B%2C28%2B%2C29%3F%2C30%2B%2Fm1%2Fs1, 12.8060359954834, 0.0697792395949364, , , , , , , , 5.51913213729858, -0.392268687486649, 15.9949226379395, , , , 11.8900003433228, , , , , , , 
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-InChI%3D1S%2FC18H19F3N2S%2Fc1-22%282%2910-5-11-23-14-6-3-4-7-16%2814%2924-17-9-8-13%2812-15%2817%2923%2918%2819%2C20%2921%2Fh3-4%2C6-9%2C12H%2C5%2C10-11H2%2C1-2H3, 11.9915132522583, 0.416904658079147, , , , , , , , 3.75184559822083, -0.30894672870636, 31.9720726013184, , , , 11.997386932373, , , , , , , 
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-InChI%3D1S%2FC18H27NO2%2Fc1-3-19%284-2%2914-15-21-17%2820%2918%2812-8-9-13-18%2916-10-6-5-7-11-16%2Fh5-7%2C10-11H%2C3-4%2C8-9%2C12-15H2%2C1-2H3, 11.6585216522217, 0.268407136201859, , , , , , , , 5.43433952331543, -0.313986986875534, 15.995924949646, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC6H9N3O2%2Fc7-5%286%2810%2911%291-4-2-8-3-9-4%2Fh2-3%2C5H%2C1%2C7H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%2Ft5-%2Fm0%2Fs1, 7.83207607269287, 0.295310169458389, , , , , , , , 3.98457169532776, -0.349699139595032, 15.9982614517212, , , , 11.9963550567627, , , , , , , 
-InChI%3D1S%2FC2H5NO2%2Fc1-2%284%293-5%2Fh5H%2C1H3%2C%28H%2C3%2C4%29, 5.41141653060913, 0.186415240168571, , , , , , , , 3.45749616622925, -0.369311660528183, 15.9982576370239, , , , 11.9966878890991, , , , , , , 
-InChI%3D1S%2FC11H15Cl2N5%2Fc1-6%282%2916-10%2814%2918-11%2815%2917-7-3-4-8%2812%299%2813%295-7%2Fh3-6H%2C1-2H3%2C%28H5%2C14%2C15%2C16%2C17%2C18%29, 9.84067630767822, 0.186104670166969, , , , , , , , 5.77870321273804, -0.279530853033066, 34.9698524475098, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC21H26O3%2Fc1-14%288-7-9-15%282%2912-21%2822%2923%2910-11-19-16%283%2913-20%2824-6%2918%285%2917%2819%294%2Fh7-13H%2C1-6H3%2C%28H%2C22%2C23%29, 10.8586235046387, 0.283660113811493, , , , , , , , 4.00692272186279, -0.373617738485336, 15.9969301223755, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC6H13NO2%2Fc1-4%282%293-5%287%296%288%299%2Fh4-5H%2C3%2C7H2%2C1-2H3%2C%28H%2C8%2C9%29%2Ft5-%2Fm0%2Fs1, 7.87076711654663, 0.295236051082611, , , , , , , , 3.99424457550049, -0.349695473909378, 15.9982595443726, , , , 11.9963550567627, , , , , , , 
-InChI%3D1S%2FC18H23NO3%2Fc1-13%282-3-14-4-7-16%2820%298-5-14%2919-11-10-15-6-9-17%2821%2918%2822%2912-15%2Fh4-9%2C12-13%2C19-22H%2C2-3%2C10-11H2%2C1H3, 8.991135597229, 0.134639099240303, , , , , , , , 4.76058387756348, -0.38616156578064, 15.9969301223755, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC15H24N2O4S%2Fc1-5-17%286-2%2910-9-16-15%2818%2913-11-12%2822%284%2C19%2920%297-8-14%2813%2921-3%2Fh7-8%2C11H%2C5-6%2C9-10H2%2C1-4H3%2C%28H%2C16%2C18%29, 11.4668083190918, 0.221960842609406, , , , , , , , 5.13863039016724, -0.373143762350082, 31.972677230835, , , , 11.9984426498413, , , , , , , 
-InChI%3D1S%2FC27H36N2O4%2Fc1-4-33-25-17-20%2812-13-22%2825%2927%2831%2932%2918-26%2830%2928-23%2816-19%282%293%2921-10-6-7-11-24%2821%2929-14-8-5-9-15-29%2Fh6-7%2C10-13%2C17%2C19%2C23H%2C4-5%2C8-9%2C14-16%2C18H2%2C1-3H3%2C%28H%2C28%2C30%29%28H%2C31%2C32%29, 11.5134048461914, 0.269720405340195, , , , , , , , 4.3080883026123, -0.372332870960236, 15.9993057250977, , , , 11.9961223602295, , , , , , , 
-InChI%3D1S%2FC19H23N5O3%2Fc1-10-11%285-6-13-16%2810%2918%2820%2924-19%2821%2923-13%299-22-12-7-14%2825-2%2917%2827-4%2915%288-12%2926-3%2Fh5-8%2C22H%2C9H2%2C1-4H3%2C%28H4%2C20%2C21%2C23%2C24%29, 10.7741851806641, 0.167174100875854, , , , , , , , 5.01921844482422, -0.398649841547012, 15.9987163543701, , , , 11.9961566925049, , , , , , , 
-InChI%3D1S%2FC39H69NO14.C18H36O2%2Fc1-15-27-39%2811%2C47%2932%2843%2921%284%2929%2842%2919%282%2917-37%289%2C46%2934%2854-36-31%2851-25%288%2941%2926%2840%2812%2913%2916-20%283%2949-36%2922%285%2930%2823%286%2935%2845%2952-27%2953-28-18-38%2810%2C48-14%2933%2844%2924%287%2950-28%3B1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920%2Fh19-24%2C26-28%2C30-34%2C36%2C43-44%2C46-47H%2C15-18H2%2C1-14H3%3B2-17H2%2C1H3%2C%28H%2C19%2C20%29%2Ft19-%2C20-%2C21%2B%2C22%2B%2C23-%2C24%2B%2C26%2B%2C27-%2C28%2B%2C30%2B%2C31%3F%2C32-%2C33%2B%2C34-%2C36%2B%2C37-%2C38-%2C39-%3B%2Fm1.%2Fs1, 12.2939672470093, 0.267776012420654, , , , , , , , 3.72171688079834, -0.407792389392853, 16.0104427337646, , , , 11.9960746765137, , , , , , , 
-InChI%3D1S%2FC15H20N2O2%2Fc18-14-16-12-15%2819-14%297-10-17%2811-8-15%299-6-13-4-2-1-3-5-13%2Fh1-5H%2C6-12H2%2C%28H%2C16%2C18%29, 9.63767528533936, 0.29581281542778, , , , , , , , 4.56478023529053, -0.325851261615753, 15.9977903366089, , , , 11.9966831207275, , , , , , , 
-InChI%3D1S%2FC22H24N2O2%2Fc1-17-7-9-18%2810-8-17%2920%2813-16-24-14-2-3-15-24%2921-6-4-5-19%2823-21%2911-12-22%2825%2926%2Fh4-13H%2C2-3%2C14-16H2%2C1H3%2C%28H%2C25%2C26%29, 11.7944068908691, 0.283168286085129, , , , , , , , 3.93352603912354, -0.328261137008667, 15.9959278106689, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC9H7Cl2N5%2Fc10-5-3-1-2-4%286%285%2911%297-8%2812%2914-9%2813%2916-15-7%2Fh1-3H%2C%28H4%2C12%2C13%2C14%2C16%29, 11.1153564453125, 0.160276874899864, , , , , , , , 5.38684988021851, -0.342772573232651, 34.9698524475098, , , , 11.9934511184692, , , , , , , 
-InChI%3D1S%2FC22H28N2O%2Fc1-2-22%2825%2924%2820-11-7-4-8-12-20%2921-14-17-23%2818-15-21%2916-13-19-9-5-3-6-10-19%2Fh3-12%2C21H%2C2%2C13-18H2%2C1H3, 11.1434669494629, 0.203429087996483, , , , , , , , 5.34982061386108, -0.302823334932327, 15.9949207305908, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC14H19N3O%2Fc1-3-17%284-2%2911-10-13-15-14%2816-18-13%2912-8-6-5-7-9-12%2Fh5-9H%2C3-4%2C10-11H2%2C1-2H3, 8.83679485321045, 0.206754833459854, , , , , , , , 5.51508760452271, -0.303284645080566, 15.9949197769165, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H21N3O%2Fc1-19%282%2912-13-21-17-11-7-6-10-16%2817%2920%283%2915-9-5-4-8-14%2815%2918%2821%2922%2Fh4-11H%2C12-13H2%2C1-3H3, 11.2098684310913, 0.290372848510742, , , , , , , , 5.81448221206665, -0.356966376304626, 16.0059299468994, , , , 11.9884386062622, , , , , , , 
-InChI%3D1S%2FC22H20O13%2Fc1-4-8-5%282-6%2824%299%284%2922%2833%2934%2913%2825%2910-11%2815%288%2927%2916%2828%2912%2818%2830%2917%2810%2929%2921-20%2832%2919%2831%2914%2826%297%283-23%2935-21%2Fh2%2C7%2C14%2C19-21%2C23-24%2C26%2C28-32H%2C3H2%2C1H3%2C%28H%2C33%2C34%29%2Ft7-%2C14%3F%2C19%2B%2C20-%2C21-%2Fm1%2Fs1, 11.2978916168213, 0.26984703540802, , , , , , , , 4.46142911911011, -0.393814355134964, 16.009614944458, , , , 11.988395690918, , , , , , , 
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-InChI%3D1S%2FC15H14ClNO3%2Fc1-9-7-12%288-13%2818%2919%2917%282%2914%289%2915%2820%2910-3-5-11%2816%296-4-10%2Fh3-7H%2C8H2%2C1-2H3%2C%28H%2C18%2C19%29, 10.5838232040405, 0.260507643222809, , , , , , , , 4.03349924087524, -0.331711679697037, 34.9688529968262, , , , 11.9933423995972, , , , , , , 
-InChI%3D1S%2FC24H31FO6%2Fc1-12-7-16-15-9-18%2825%2917-8-14%2827%295-6-22%2817%2C3%2921%2815%2919%2828%2910-23%2816%2C4%2924%2812%2C30%2920%2829%2911-31-13%282%2926%2Fh5-6%2C8%2C12%2C15-16%2C18-19%2C21%2C28%2C30H%2C7%2C9-11H2%2C1-4H3%2Ft12-%2C15%3F%2C16%2B%2C18%2B%2C19%2B%2C21-%2C22%2B%2C23%2B%2C24%2B%2Fm1%2Fs1, 12.9491729736328, 0.258531898260117, , , , , , , , 3.88752245903015, -0.392614960670471, 18.9984092712402, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC14H18N2O3%2Fc1-5-7-8-10%283%2914%289-6-2%2911%2817%2915-13%2819%2916%284%2912%2814%2918%2Fh6%2C10H%2C2%2C5%2C9H2%2C1%2C3-4H3%2C%28H%2C15%2C17%2C19%29, 12.3860359191895, 0.330590963363647, , , , , , , , 4.70650100708008, -0.369854867458344, 15.9987096786499, , , , 11.9961957931519, , , , , , , 
-InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29, 8.1777515411377, 0.3229740858078, , , , , , , , 4.07099580764771, -0.347263544797897, 34.9698524475098, , , , 11.9966878890991, , , , , , , 
-InChI%3D1S%2FC23H32O3%2Fc1-3-4-5-22%2825%2926-21-11-10-20-19-8-6-15-14-16%2824%297-9-17%2815%2918%2819%2912-13-23%2820%2C21%292%2Fh7%2C9%2C14%2C18-21%2C24H%2C3-6%2C8%2C10-13H2%2C1-2H3%2Ft18-%2C19%3F%2C20%2B%2C21%2B%2C23%2B%2Fm1%2Fs1, 11.8538799285889, 0.261829674243927, , , , , , , , 4.70334720611572, -0.385751783847809, 15.9969320297241, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC26H37N5O2%2Fc1-5-11-30-17-19%2825%2832%2931%2826%2833%2927-6-2%2913-8-12-29%283%294%2914-21-20-9-7-10-22-24%2820%2918%2816-28-22%2915-23%2821%2930%2Fh5%2C7%2C9-10%2C16%2C19%2C21%2C23%2C28H%2C1%2C6%2C8%2C11-15%2C17H2%2C2-4H3%2C%28H%2C27%2C33%29%2Ft19-%2C21%3F%2C23-%2Fm1%2Fs1, 11.94908618927, 0.241198152303696, , , , , , , , 5.22735929489136, -0.356391966342926, 15.9982709884644, , , , 11.9961252212524, , , , , , , 
-InChI%3D1S%2FC20H27N5O5S%2Fc1-15-14-18%2823-30-15%2919%2826%2921-11-10-16-6-8-17%289-7-16%2931%2828%2C29%2924-20%2827%2922-25-12-4-2-3-5-13-25%2Fh6-9%2C14H%2C2-5%2C10-13H2%2C1H3%2C%28H%2C21%2C26%29%28H2%2C22%2C24%2C27%29, 11.5953493118286, 0.261789590120316, , , , , , , , 4.70665740966797, -0.354437083005905, 31.9720726013184, , , , 11.996150970459, , , , , , , 
-InChI%3D1S%2FC19H24O3%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15%2818%298-10-19%282%2916%2814%295-6-17%2821%2922-19%2Fh7%2C9%2C11%2C14-16H%2C3-6%2C8%2C10H2%2C1-2H3%2Ft14%3F%2C15-%2C16-%2C18%3F%2C19%3F%2Fm0%2Fs1, 12.5973529815674, 0.261737465858459, , , , , , , , 4.41681003570557, -0.309250175952911, 15.9969291687012, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC43H55N5O7%2Fc1-6-39%2852%2921-25-22-42%2838%2851%2955-5%2C33-27%2813-17-47%2823-25%2924-39%2926-11-8-9-12-30%2826%2945-33%2929-19-28-31%2820-32%2829%2954-4%2946%283%2935-41%2828%2915-18-48-16-10-14-40%287-2%2C34%2841%2948%2936%2849%2943%2835%2C53%2937%2844%2950%2Fh8-12%2C14%2C19-20%2C25%2C27%2C34-36%2C49%2C52-53H%2C6-7%2C13%2C15-18%2C21-24H2%2C1-5H3%2C%28H2%2C44%2C50%29%2Ft25-%2C27%3F%2C34%2B%2C35-%2C36-%2C39%2B%2C40%3F%2C41-%2C42%2B%2C43%2B%2Fm1%2Fs1, 15.5933237075806, 0.274027854204178, , , , , , , , 5.48274803161621, -0.388996183872223, 16.0010089874268, , , , 11.9942111968994, , , , , , , 
-InChI%3D1S%2FC14H17N3O9%2Fc1-6%2818%2923-5-9-11%2824-7%282%2919%2912%2825-8%283%2920%2913%2826-9%2917-14%2822%2916-10%2821%294-15-17%2Fh4%2C9%2C11-13H%2C5H2%2C1-3H3%2C%28H%2C16%2C21%2C22%29%2Ft9%3F%2C11-%2C12%3F%2C13-%2Fm1%2Fs1, 10.07102394104, 0.363723546266556, , , , , , , , 3.85666418075562, -0.376331895589828, 16.0075283050537, , , , 11.9884958267212, , , , , , , 
-InChI%3D1S%2FC17H23N3O%2Fc1-19%282%2912-13-20%2817-6-4-5-11-18-17%2914-15-7-9-16%2821-3%2910-8-15%2Fh4-11H%2C12-14H2%2C1-3H3, 10.583517074585, 0.182950109243393, , , , , , , , 4.75959014892578, -0.373923003673553, 15.9949207305908, , , , 11.9883184432983, , , , , , , 
-InChI%3D1S%2FC12H11I3N2O4%2Fc1-4%2818%2916-3-6-8%2813%297%2812%2820%2921%2910%2815%2911%289%286%2914%2917-5%282%2919%2Fh3H2%2C1-2H3%2C%28H%2C16%2C18%29%28H%2C17%2C19%29%28H%2C20%2C21%29, 16.6979846954346, 0.269207507371902, , , , , , , , 5.0381875038147, -0.372528195381165, 126.906471252441, , , , 11.9962186813354, , , , , , , 
-InChI%3D1S%2FC20H24N2OS%2Fc1-5-18%2823%2915-10-11-20-17%2812-15%2922%2813-14%282%2921%283%294%2916-8-6-7-9-19%2816%2924-20%2Fh6-12%2C14H%2C5%2C13H2%2C1-4H3, 12.2544012069702, 0.177674695849419, , , , , , , , 5.08895778656006, -0.30543839931488, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC16H23NO2%2Fc1-4-15%2818%2919-16%2814-8-6-5-7-9-14%2910-11-17%283%2912-13%2816%292%2Fh5-9%2C13H%2C4%2C10-12H2%2C1-3H3%2Ft13-%2C16%3F%2Fm1%2Fs1, 12.105318069458, 0.261811256408691, , , , , , , , 4.70199298858643, -0.308337509632111, 15.9959239959717, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC22H23NO7%2Fc1-23-8-7-11-9-14-20%2829-10-28-14%2921%2827-4%2915%2811%2917%2823%2918-12-5-6-13%2825-2%2919%2826-3%2916%2812%2922%2824%2930-18%2Fh5-6%2C9%2C17-18H%2C7-8%2C10H2%2C1-4H3%2Ft17-%2C18%2B%2Fm1%2Fs1, 12.1341600418091, 0.273170918226242, , , , , , , , 4.99565839767456, -0.397972494363785, 16.0016708374023, , , , 11.9961414337158, , , , , , , 
-InChI%3D1S%2FC24H29N5O3%2Fc1-4-5-10-21%2830%2929%2822%2816%282%293%2924%2831%2932%2915-17-11-13-18%2814-12-17%2919-8-6-7-9-20%2819%2923-25-27-28-26-23%2Fh6-9%2C11-14%2C16%2C22H%2C4-5%2C10%2C15H2%2C1-3H3%2C%28H%2C31%2C32%29%28H%2C25%2C26%2C27%2C28%29%2Ft22-%2Fm1%2Fs1, 11.1425848007202, 0.296433687210083, , , , , , , , 4.68794584274292, -0.349665910005569, 15.9987192153931, , , , 11.996132850647, , , , , , , 
-InChI%3D1S%2FC4H11N5%2Fc1-9%282%294%287%298-3%285%296%2Fh1-2H3%2C%28H5%2C5%2C6%2C7%2C8%29, 8.0646333694458, 0.153761178255081, , , , , , , , 5.08699035644531, -0.297328561544418, 14.0101833343506, , , , 11.9936561584473, , , , , , , 
-InChI%3D1S%2FC20H28N2O3%2Fc1-22-14-8-13-21-18%2822%2915-25-19%2823%2920%2824%2C16-9-4-2-5-10-16%2917-11-6-3-7-12-17%2Fh2%2C4-5%2C9-10%2C17%2C24H%2C3%2C6-8%2C11-15H2%2C1H3, 11.8605699539185, 0.294922351837158, , , , , , , , 5.54650402069092, -0.3781418800354, 15.9969329833984, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC9H23NO3PS.HI%2Fc1-6-12-14%2811%2C13-7-2%2915-9-8-10%283%2C4%295%3B%2Fh6-9H2%2C1-5H3%3B1H%2Fq%2B1%3B%2Fp-1, 9.28274250030518, 0.373017758131027, , , , , , , , 4.62703275680542, -0.383921563625336, 126.904472351074, , , , 11.9934511184692, , , , , , , 
-InChI%3D1S%2FC21H21N%2Fc1-22-14-12-18%2813-15-22%2921-19-8-4-2-6-16%2819%2910-11-17-7-3-5-9-20%2817%2921%2Fh2-11H%2C12-15H2%2C1H3, 12.8541631698608, 0.0329806432127953, , , , , , , , 5.99044942855835, -0.334955483675003, 14.0080652236938, , , , 11.9942903518677, , , , , , , 
-InChI%3D1S%2FC22H29NO2%2Fc1-5-21%2824%2925-22%2818%282%2917-23%283%294%2C20-14-10-7-11-15-20%2916-19-12-8-6-9-13-19%2Fh6-15%2C18H%2C5%2C16-17H2%2C1-4H3%2Ft18-%2C22%2B%2Fm1%2Fs1, 13.3569736480713, 0.261835068464279, , , , , , , , 4.85844707489014, -0.309294193983078, 15.9959268569946, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC28H37FO7%2Fc1-6-23%2833%2935-15-22%2832%2928%2836-24%2834%297-2%2916%283%2912-20-19-9-8-17-13-18%2830%2910-11-25%2817%2C4%2927%2819%2C29%2921%2831%2914-26%2820%2C28%295%2Fh10-11%2C13%2C16%2C19-21%2C31H%2C6-9%2C12%2C14-15H2%2C1-5H3%2Ft16-%2C19%2B%2C20%3F%2C21%2B%2C25%2B%2C26%2B%2C27%3F%2C28%2B%2Fm1%2Fs1, 13.5508708953857, 0.262900948524475, , , , , , , , 4.23870515823364, -0.389564603567123, 18.9984092712402, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC14H14ClNS%2Fc15-13-4-2-1-3-11%2813%299-16-7-5-14-12%2810-16%296-8-17-14%2Fh1-4%2C6%2C8H%2C5%2C7%2C9-10H2, 10.8713979721069, 0.10762619972229, , , , , , , , 6.63257265090942, -0.331161230802536, 34.9688529968262, , , , 11.9943561553955, , , , , , , 
-InChI%3D1S%2FC28H24N6.2BrH%2Fc1-21-27%2823-13-5-3-6-14-23%2933%2825-17-9-11-19-31%2821%2925%2929-30-34-26-18-10-12-20-32%2826%2922%282%2928%2834%2924-15-7-4-8-16-24%3B%3B%2Fh3-20H%2C1-2H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2, 11.0863018035889, 0.143845617771149, , , , , , , , 3.49900007247925, -0.324139356613159, 78.9193344116211, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC14H21N3O2S%2Fc1-15-20%2818%2C19%2910-11-4-5-14-13%288-11%2912%289-16-14%296-7-17%282%293%2Fh4-5%2C8-9%2C15-16H%2C6-7%2C10H2%2C1-3H3, 10.7899932861328, 0.21236515045166, , , , , , , , 5.71349191665649, -0.308941781520844, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H22I3N3O8%2Fc1-5%2826%2922-12-9%2819%298%2810%2820%2914%2811%2812%2921%2924%283%296%282%2927%2917%2830%2923-13-16%2829%2915%2828%297%284-25%2932-18%2813%2931%2Fh7%2C13%2C15-16%2C18%2C25%2C28-29%2C31H%2C4H2%2C1-3H3%2C%28H%2C22%2C26%29%28H%2C23%2C30%29%2Ft7%3F%2C13%3F%2C15-%2C16-%2C18%3F%2Fm1%2Fs1, 17.4316349029541, 0.199990063905716, , , , , , , , 4.33688974380493, -0.410606026649475, 126.906471252441, , , , 11.9961633682251, , , , , , , 
-InChI%3D1S%2FC13H16ClNO%2Fc1-15-13%289-5-4-8-12%2813%2916%2910-6-2-3-7-11%2810%2914%2Fh2-3%2C6-7%2C15H%2C4-5%2C8-9H2%2C1H3, 12.0786924362183, 0.153642117977142, , , , , , , , 5.54085302352905, -0.307481706142426, 34.9693794250488, , , , 11.9985208511353, , , , , , , 
-InChI%3D1S%2FCH5N3%2Fc2-1%283%294%2Fh%28H5%2C2%2C3%2C4%29, 5.63153839111328, 0.166079580783844, , , , , , , , 4.33599281311035, -0.305100202560425, 14.0095052719116, , , , 11.9939765930176, , , , , , , 
-InChI%3D1S%2FC17H24N2O2%2Fc1-3-19%284-2%2913-12-17%2814-8-6-5-7-9-14%2911-10-15%2820%2918-16%2817%2921%2Fh5-9H%2C3-4%2C10-13H2%2C1-2H3%2C%28H%2C18%2C20%2C21%29, 12.4106922149658, 0.254678934812546, , , , , , , , 5.0122709274292, -0.347985714673996, 15.995924949646, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC20H23N5O6S%2Fc1-20%282%2913%2817%2828%2929%2925-15%2827%2912%2816%2825%2932-20%2922-14%2826%2911%2810-6-4-3-5-7-10%2923-19%2831%2924-9-8-21-18%2824%2930%2Fh3-7%2C11-13%2C16H%2C8-9H2%2C1-2H3%2C%28H%2C21%2C30%29%28H%2C22%2C26%29%28H%2C23%2C31%29%28H%2C28%2C29%29%2Ft11-%2C12%3F%2C13-%2C16%2B%2Fm0%2Fs1, 12.1103830337524, 0.278322756290436, , , , , , , , 4.78348302841187, -0.346879482269287, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H28N4O%2Fc1-3-5-13-22%2814-6-4-2%2915-12-19-18-20-17%2821-23-18%2916-10-8-7-9-11-16%2Fh7-11H%2C3-6%2C12-15H2%2C1-2H3%2C%28H%2C19%2C20%2C21%29, 9.45788383483887, 0.232644632458687, , , , , , , , 5.25094079971313, -0.301151543855667, 15.9949207305908, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC10H15N3%2Fc1-11-10%2812-2%2913-8-9-6-4-3-5-7-9%2Fh3-7H%2C8H2%2C1-2H3%2C%28H2%2C11%2C12%2C13%29, 8.8142728805542, 0.1469666659832, , , , , , , , 5.25612449645996, -0.267501592636108, 14.0050888061523, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC12H18N2O4%2Fc1-17-8-3-4-11%2818-2%299%285-8%2910%2815%297-14-12%2816%296-13%2Fh3-5%2C10%2C15H%2C6-7%2C13H2%2C1-2H3%2C%28H%2C14%2C16%29, 9.72825813293457, 0.149378061294556, , , , , , , , 4.86115694046021, -0.390054106712341, 15.9979305267334, , , , 11.99338722229, , , , , , , 
-InChI%3D1S%2FC21H25NO3%2Fc23-20%2825-17-16-22-14-8-3-9-15-22%2921%2824%2C18-10-4-1-5-11-18%2919-12-6-2-7-13-19%2Fh1-2%2C4-7%2C10-13%2C24H%2C3%2C8-9%2C14-17H2, 11.7114992141724, 0.294895619153976, , , , , , , , 5.45157527923584, -0.377824544906616, 15.9969320297241, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC5H9NO4S%2Fc6-3%285%289%2910%291-11-2-4%287%298%2Fh3H%2C1-2%2C6H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29, 9.29006862640381, 0.29609215259552, , , , , , , , 4.16609191894531, -0.349685251712799, 31.9720706939697, , , , 11.9964008331299, , , , , , , 
-InChI%3D1S%2FC24H34N2O5%2Fc1-3-31-24%2830%2919%2814-13-17-9-5-4-6-10-17%2925-16%282%2922%2827%2926-20-12-8-7-11-18%2820%2915-21%2826%2923%2828%2929%2Fh4-6%2C9-10%2C16%2C18-21%2C25H%2C3%2C7-8%2C11-15H2%2C1-2H3%2C%28H%2C28%2C29%29%2Ft16-%2C18%3F%2C19-%2C20-%2C21-%2Fm0%2Fs1, 11.0903654098511, 0.296280920505524, , , , , , , , 4.55596590042114, -0.349702298641205, 16.0000133514404, , , , 11.996132850647, , , , , , , 
-InChI%3D1S%2FC35H42N2O9%2Fc1-40-21-8-9-22-23-11-12-37-18-20-15-29%2846-30%2838%2910-7-19-13-27%2841-2%2933%2843-4%2928%2814-19%2942-3%2934%2844-5%2931%2835%2839%2945-6%2924%2820%2917-26%2837%2932%2823%2936-25%2822%2916-21%2Fh7-10%2C13-14%2C16%2C20%2C24%2C26%2C29%2C31%2C34%2C36H%2C11-12%2C15%2C17-18H2%2C1-6H3%2Fb10-7%2B%2Ft20%3F%2C24%3F%2C26-%2C29%3F%2C31%2B%2C34%2B%2Fm1%2Fs1, 11.6520318984985, 0.28626075387001, , , , , , , , 4.85473346710205, -0.377640932798386, 16.0030040740967, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC20H22N2S%2Fc1-3-7-19-17%285-1%2922%2818-6-2-4-8-20%2818%2923-19%2914-16-13-21-11-9-15%2816%2910-12-21%2Fh1-8%2C15-16H%2C9-14H2, 12.2201452255249, 0.130422160029411, , , , , , , , 7.61499643325806, -0.302606076002121, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC15H16N4O%2Fc1-3-19-15-13%2810%282%2918-19%2917-12%2820%299-16-14%2815%2911-7-5-4-6-8-11%2Fh4-8H%2C3%2C9H2%2C1-2H3%2C%28H%2C17%2C20%29, 10.9236507415771, 0.287811607122421, , , , , , , , 5.21226119995117, -0.34691458940506, 15.9949207305908, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H27NO2%2Fc1-18%282%2913-16%2817%2819%2911-5-4-6-12-17%2914-7-9-15%2820-3%2910-8-14%2Fh7-10%2C16%2C19H%2C4-6%2C11-13H2%2C1-3H3, 11.7317724227905, 0.133840128779411, , , , , , , , 4.79199123382568, -0.389010220766068, 15.9959239959717, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC15H23N3O4S%2Fc1-14%282%299%2812%2820%2921%2918-10%2819%298%2811%2818%2923-14%2917-13%2822%2915%2816%296-4-3-5-7-15%2Fh8-9%2C11H%2C3-7%2C16H2%2C1-2H3%2C%28H%2C17%2C22%29%28H%2C20%2C21%29%2Ft8-%2C9%2B%2C11-%2Fm1%2Fs1, 12.1014451980591, 0.278242141008377, , , , , , , , 4.78125476837158, -0.347000986337662, 31.9720726013184, , , , 11.9943437576294, , , , , , , 
-InChI%3D1S%2FC17H25NO4%2Fc1-20-13-11-15%2821-2%2917%2816%2812-13%2922-3%2914%2819%297-6-10-18-8-4-5-9-18%2Fh11-12H%2C4-10H2%2C1-3H3, 10.178822517395, 0.226506516337395, , , , , , , , 4.88232088088989, -0.374788045883179, 15.9979333877563, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC14H15N3O5S2.Na%2Fc1-9%2818%2917-24%2821%2C22%2914-8-11%2816%294-7-13%2814%2923%2819%2C20%2912-5-2-10%2815%293-6-12%3B%2Fh2-8H%2C15-16H2%2C1H3%2C%28H%2C17%2C18%29%3B%2Fq%3B%2B1%2Fp-1, 14.1493234634399, 0.296900719404221, , , , , , , , -2.77196249953704e-06, -0.323852241039276, 31.9730739593506, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC14H22ClNO2%2Fc1-10-5-6-12%2815%2913%287-10%2918-9-11%2817%298-16-14%282%2C3%294%2Fh5-7%2C11%2C16-17H%2C8-9H2%2C1-4H3, 9.33176612854004, 0.134505286812782, , , , , , , , 5.21138191223145, -0.388923168182373, 34.9688529968262, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC5H10N2O3%2Fc6-3%285%289%2910%291-2-4%287%298%2Fh3H%2C1-2%2C6H2%2C%28H2%2C7%2C8%29%28H%2C9%2C10%29, 7.75838470458984, 0.295245558023453, , , , , , , , 3.96614861488342, -0.350062817335129, 15.998703956604, , , , 11.9964008331299, , , , , , , 
-InChI%3D1S%2FC18H22N2%2Fc1-19-12-14-20%2815-13-19%2918%2816-8-4-2-5-9-16%2917-10-6-3-7-11-17%2Fh2-11%2C18H%2C12-15H2%2C1H3, 12.0429124832153, 0.138455003499985, , , , , , , , 5.92778348922729, -0.303097635507584, 14.0040922164917, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC13H18ClN3O4S2%2Fc14-9-6-10-12%287-11%289%2922%2815%2C18%2919%2923%2820%2C21%2917-13%2816-10%295-8-3-1-2-4-8%2Fh6-8%2C13%2C16-17H%2C1-5H2%2C%28H2%2C15%2C18%2C19%29, 12.9516487121582, 0.245271101593971, , , , , , , , 7.0214695930481, -0.291667848825455, 34.9688529968262, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC17H12ClF3N2O%2Fc18-12-6-7-14-13%288-12%2916%2811-4-2-1-3-5-11%2922-9-15%2824%2923%2814%2910-17%2819%2C20%2921%2Fh1-8H%2C9-10H2, 11.7124805450439, 0.402119278907776, , , , , , , , 3.52388572692871, -0.283084183931351, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC8H12N4O5%2Fc9-7-10-2-12%288%2816%2911-7%296-5%2815%294%2814%293%281-13%2917-6%2Fh2-6%2C13-15H%2C1H2%2C%28H2%2C9%2C11%2C16%29%2Ft3%3F%2C4-%2C5-%2C6%3F%2Fm1%2Fs1, 9.42023468017578, 0.193983480334282, , , , , , , , 4.30835771560669, -0.39361435174942, 16.0, , , , 11.9962921142578, , , , , , , 
-InChI%3D1S%2FC4H7NO2S%2Fc6-4%287%293-1-8-2-5-3%2Fh3%2C5H%2C1-2H2%2C%28H%2C6%2C7%29, 8.68313980102539, 0.27695432305336, , , , , , , , 4.16449594497681, -0.330362170934677, 31.9720706939697, , , , 11.9946517944336, , , , , , , 
-InChI%3D1S%2FC21H24ClN3O3%2Fc1-24%2815-20%2826%2925-10-12-28-13-11-25%2914-17-18%2822%298-5-9-19%2817%2923-21%2827%2916-6-3-2-4-7-16%2Fh2-9H%2C10-15H2%2C1H3%2C%28H%2C23%2C27%29, 11.2621908187866, 0.21710130572319, , , , , , , , 5.19265747070312, -0.378114551305771, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC16H25NO3%2Fc1-11%282%2914-10-15%2820-13%284%2918%2912%283%299-16%2814%2919-8-7-17%285%296%2Fh9-11H%2C7-8H2%2C1-6H3, 10.142635345459, 0.259050756692886, , , , , , , , 4.0659008026123, -0.369079947471619, 15.9969282150269, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC16H20N4O3S%2Fc1-11%282%2918-16%2821%2920-24%2822%2C23%2915-10-17-8-7-14%2815%2919-13-6-4-5-12%283%299-13%2Fh4-11H%2C1-3H3%2C%28H%2C17%2C19%29%28H2%2C18%2C20%2C21%29, 12.8661623001099, 0.245544195175171, , , , , , , , 5.8435640335083, -0.35598948597908, 31.9720726013184, , , , 11.9961776733398, , , , , , , 
-InChI%3D1S%2FC20H28N2O5S%2Fc1-4-26-17-7-5-6-8-18%2817%2927-12-11-22-15%282%2913-16-9-10-19%2825-3%2920%2814-16%2928%2821%2C23%2924%2Fh5-10%2C14-15%2C22H%2C4%2C11-13H2%2C1-3H3%2C%28H2%2C21%2C23%2C24%29%2Ft15-%2Fm1%2Fs1, 11.8091201782227, 0.24582913517952, , , , , , , , 5.00415182113647, -0.372735172510147, 31.9727458953857, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC16H25NO2%2Fc1-17%282%2912-14-7-4-5-10-16%2814%2C18%2913-8-6-9-15%2811-13%2919-3%2Fh6%2C8-9%2C11%2C14%2C18H%2C4-5%2C7%2C10%2C12H2%2C1-3H3%2Ft14-%2C16%3F%2Fm1%2Fs1, 11.5334758758545, 0.10529413074255, , , , , , , , 4.91505193710327, -0.388419806957245, 15.9959239959717, , , , 11.9933309555054, , , , , , , 
-InChI%3D1S%2FC6H14N2O2.ClH%2Fc1-8%282%2C3%294-5-10-6%287%299%3B%2Fh4-5H2%2C1-3H3%2C%28H-%2C7%2C9%29%3B1H, 8.66554069519043, 0.378613770008087, , , , , , , , 2.7299964427948, -0.382778376340866, 34.9688529968262, , , , 11.9935503005981, , , , , , , 
-InChI%3D1S%2FC17H28N2O%2Fc1-6-12-19%288-3%2915%287-2%2917%2820%2918-16-13%284%2910-9-11-14%2816%295%2Fh9-11%2C15H%2C6-8%2C12H2%2C1-5H3%2C%28H%2C18%2C20%29, 10.6434326171875, 0.176714614033699, , , , , , , , 5.46983051300049, -0.370198786258698, 15.9979467391968, , , , 11.9961700439453, , , , , , , 
-InChI%3D1S%2FC27H44O2%2Fc1-19-10-13-23%2828%2918-22%2819%2912-11-21-9-7-17-27%285%2924%2814-15-25%2821%2927%2920%282%298-6-16-26%283%2C4%2929%2Fh11-12%2C20%2C23-25%2C28-29H%2C1%2C6-10%2C13-18H2%2C2-5H3%2Fb21-11%2B%2C22-12%3F%2Ft20-%2C23%2B%2C24-%2C25%2B%2C27%3F%2Fm1%2Fs1, 12.526515007019, 0.133571714162827, , , , , , , , 5.18953990936279, -0.392524033784866, 15.9959278106689, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC7H11NO7P2%2Fc9-7%2816%2810%2C11%2912%2C17%2813%2C14%2915%294-6-2-1-3-8-5-6%2Fh1-3%2C5%2C9H%2C4H2%2C%28H2%2C10%2C11%2C12%29%28H2%2C13%2C14%2C15%29, 8.43075847625732, 0.372894078493118, , , , , , , , 3.12997651100159, -0.367455512285233, 30.9752521514893, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC46H78N2O15%2Fc1-13-35%2850%2960-34-24-36%2851%2956-27%283%2917-15-14-16-18-33%2861-37-20-19-32%2847%288%299%2928%284%2957-37%2926%282%2923-31%2821-22-49%2942%2843%2834%2955-12%2963-45-40%2852%2939%2848%2810%2911%2941%2829%285%2959-45%2962-38-25-46%287%2C54%2944%2853%2930%286%2958-38%2Fh14-16%2C18%2C22%2C26-34%2C37-45%2C52-54H%2C13%2C17%2C19-21%2C23-25H2%2C1-12H3%2Fb15-14-%2C18-16-%2Ft26%3F%2C27-%2C28-%2C29-%2C30%2B%2C31%3F%2C32%2B%2C33%2B%2C34-%2C37-%2C38%2B%2C39-%2C40-%2C41-%2C42%2B%2C43%2B%2C44%2B%2C45%3F%2C46-%2Fm1%2Fs1, 12.0766448974609, 0.264920860528946, , , , , , , , 4.05846929550171, -0.388061225414276, 16.0093536376953, , , , 11.9965963363647, , , , , , , 
-InChI%3D1S%2FC3H11NO7P2%2Fc4-2-1-3%285%2C12%286%2C7%298%2913%289%2C10%2911%2Fh5H%2C1-2%2C4H2%2C%28H2%2C6%2C7%2C8%29%28H2%2C9%2C10%2C11%29, 6.64228582382202, 0.372902512550354, , , , , , , , 2.97118759155273, -0.367444634437561, 30.9752521514893, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC16H14N2O4%2Fc1-7%282%298-3-4-12-9%285-8%2913%2819%2910-6-11%2816%2820%2921%2914%2817%2918-15%2810%2922-12%2Fh3-7H%2C1-2H3%2C%28H2%2C17%2C18%29%28H%2C20%2C21%29, 10.0545978546143, 0.289350092411041, , , , , , , , 4.33964204788208, -0.350706607103348, 15.9992961883545, , , , 11.9961776733398, , , , , , , 
-InChI%3D1S%2FC41H64O14%2Fc1-19-36%2847%2928%2842%2915-34%2850-19%2954-38-21%283%2952-35%2817-30%2838%2944%2955-37-20%282%2951-33%2816-29%2837%2943%2953-24-8-10-39%284%2923%2813-24%296-7-26-27%2839%2914-31%2845%2940%285%2925%289-11-41%2826%2C40%2948%2922-12-32%2846%2949-18-22%2Fh12%2C19-21%2C23-31%2C33-38%2C42-45%2C47-48H%2C6-11%2C13-18H2%2C1-5H3%2Ft19-%2C20-%2C21-%2C23-%2C24%2B%2C25-%2C26%3F%2C27%2B%2C28%2B%2C29%2B%2C30%2B%2C31-%2C33%2B%2C34%2B%2C35%2B%2C36-%2C37-%2C38-%2C39%2B%2C40%2B%2C41%3F%2Fm1%2Fs1, 13.0724143981934, 0.28651350736618, , , , , , , , 4.26028919219971, -0.392482966184616, 16.0083255767822, , , , 11.9966020584106, , , , , , , 
-InChI%3D1S%2FC16H18N2%2Fc1-18-10-14%2812-6-3-2-4-7-12%2913-8-5-9-16%2817%2915%2813%2911-18%2Fh2-9%2C14H%2C10-11%2C17H2%2C1H3, 11.3467588424683, 0.0476113818585873, , , , , , , , 6.33314990997314, -0.333798497915268, 14.0082769393921, , , , 11.9943332672119, , , , , , , 
-InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2, 11.133002281189, 0.121336556971073, , , , , , , , 6.52089977264404, -0.284132987260818, 31.9720726013184, , , , 11.9945430755615, , , , , , , 
-InChI%3D1S%2FC10H12ClNO2%2Fc11-9-3-1-7%282-4-9%298%286-12%295-10%2813%2914%2Fh1-4%2C8H%2C5-6%2C12H2%2C%28H%2C13%2C14%29, 9.77733516693115, 0.259245932102203, , , , , , , , 4.0424861907959, -0.332007020711899, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC12H14N4O3S%2Fc1-8-14-11%287-12%2815-8%2919-2%2916-20%2817%2C18%2910-5-3-9%2813%294-6-10%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29, 11.5209455490112, 0.222007289528847, , , , , , , , 4.87148189544678, -0.356732457876205, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC16H15N5O7S2%2Fc1-2-6-4-29-14-10%2813%2825%2921%2814%2911%286%2915%2826%2927%2919-12%2824%299%2820-28-3-8%2822%2923%297-5-30-16%2817%2918-7%2Fh2%2C5%2C10%2C14H%2C1%2C3-4H2%2C%28H2%2C17%2C18%29%28H%2C19%2C24%29%28H%2C22%2C23%29%28H%2C26%2C27%29%2Fb20-9%2B%2Ft10-%2C14-%2Fm1%2Fs1, 11.9255456924438, 0.302634745836258, , , , , , , , 3.61576247215271, -0.343703985214233, 31.9730739593506, , , , 11.9943323135376, , , , , , , 
-InChI%3D1S%2FC12H11N7%2Fc13-9-7%286-4-2-1-3-5-6%2916-8-10%2814%2918-12%2815%2919-11%288%2917-9%2Fh1-5H%2C%28H6%2C13%2C14%2C15%2C17%2C18%2C19%29, 10.8326835632324, 0.171663030982018, , , , , , , , 5.57485389709473, -0.314219415187836, 14.0106678009033, , , , 11.994384765625, , , , , , , 
-InChI%3D1S%2FC16H17N5O7S2%2Fc1-6%2822%2928-3-7-4-29-14-10%2813%2824%2921%2814%2911%287%2915%2825%2926%2919-12%2823%299%2820-27-2%298-5-30-16%2817%2918-8%2Fh5%2C10%2C14H%2C3-4H2%2C1-2H3%2C%28H2%2C17%2C18%29%28H%2C19%2C23%29%28H%2C25%2C26%29%2Fb20-9-%2Ft10%3F%2C14-%2Fm1%2Fs1, 11.9063215255737, 0.302338600158691, , , , , , , , 3.97325658798218, -0.343675971031189, 31.9730739593506, , , , 11.9943323135376, , , , , , , 
-InChI%3D1S%2FC14H18Cl2N2O6S.ClH%2Fc1-25%2822%2C23%299-4-2-8%283-5-9%2912%2820%2910%287-24-11%2819%296-17%2918-14%2821%2913%2815%2916%3B%2Fh2-5%2C10%2C12-13%2C20H%2C6-7%2C17H2%2C1H3%2C%28H%2C18%2C21%29%3B1H%2Ft10-%2C12%2B%3B%2Fm0.%2Fs1, 11.0569858551025, 0.275481313467026, , , , , , , , 2.72999429702759, -0.389716058969498, 34.9708557128906, , , , 11.9984455108643, , , , , , , 
-InChI%3D1S%2FC12H11I3N2O4%2Fc1-4%2818%2916-10-7%2813%296%2812%2820%2921%298%2814%2911%289%2810%2915%2917%283%295%282%2919%2Fh1-3H3%2C%28H%2C16%2C18%29%28H%2C20%2C21%29, 16.9355449676514, 0.268996030092239, , , , , , , , 5.38074541091919, -0.372707307338715, 126.906471252441, , , , 11.9962186813354, , , , , , , 
-InChI%3D1S%2FC8H14N2O2%2Fc1-2-6%288%289%2912%2910-5-3-4-7%2810%2911%2Fh6H%2C2-5H2%2C1H3%2C%28H2%2C9%2C12%29%2Ft6-%2Fm0%2Fs1, 9.523756980896, 0.281898766756058, , , , , , , , 4.72796487808228, -0.358785182237625, 16.0060272216797, , , , 11.9886302947998, , , , , , , 
-InChI%3D1S%2FC11H18N2O3%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 11.8253164291382, 0.371294260025024, , , , , , , , 4.32329511642456, -0.36996391415596, 15.9987077713013, , , , 11.9962329864502, , , , , , , 
-InChI%3D1S%2FCH3O5P.3Na%2Fc2-1%283%297%284%2C5%296%3B%3B%3B%2Fh%28H%2C2%2C3%29%28H2%2C4%2C5%2C6%29%3B%3B%3B%2Fq%3B3%2A%2B1%2Fp-3, 3.73985552787781, 0.603581011295319, , , , , , , , -0.00100000004749745, -0.2303496748209, 30.9745693206787, , , , 11.9999980926514, , , , , , , 
-InChI%3D1S%2FC8H12N2O3%2Fc1-3-8%284-2%295%2811%299-7%2813%2910-6%288%2912%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29, 10.7250032424927, 0.371286273002625, , , , , , , , 4.25452661514282, -0.369977802038193, 15.9987058639526, , , , 11.9962921142578, , , , , , , 
-InChI%3D1S%2FC11H11NO2%2Fc1-12-10%2813%297-9%2811%2812%2914%298-5-3-2-4-6-8%2Fh2-6%2C9H%2C7H2%2C1H3, 9.81932067871094, 0.29057514667511, , , , , , , , 4.68389177322388, -0.356909871101379, 16.0060272216797, , , , 11.9885530471802, , , , , , , 
-InChI%3D1S%2FC19H23ClN2%2Fc1-21%282%2912-5-13-22-18-7-4-3-6-15%2818%298-9-16-10-11-17%2820%2914-19%2816%2922%2Fh3-4%2C6-7%2C10-11%2C14H%2C5%2C8-9%2C12-13H2%2C1-2H3, 11.8339490890503, 0.180135145783424, , , , , , , , 5.71971464157104, -0.308938026428223, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC22H30N6O4S%2Fc1-5-7-17-19-20%2827%284%2925-17%2922%2829%2924-21%2823-19%2916-14-15%288-9-18%2816%2932-6-2%2933%2830%2C31%2928-12-10-26%283%2911-13-28%2Fh8-9%2C14H%2C5-7%2C10-13H2%2C1-4H3%2C%28H%2C23%2C24%2C29%29, 12.6154479980469, 0.228029876947403, , , , , , , , 5.19202899932861, -0.370601326227188, 31.9720726013184, , , , 11.9942836761475, , , , , , , 
-InChI%3D1S%2FC19H22N2O3%2Fc1-2-3-14-17%2819%2823%2924%2918%2822%2921%2816-12-8-5-9-13-16%2920-15-10-6-4-7-11-15%2Fh4-13%2C17%2C20H%2C2-3%2C14H2%2C1H3%2C%28H%2C23%2C24%29, 11.125431060791, 0.270948052406311, , , , , , , , 4.53733491897583, -0.331029057502747, 15.9969320297241, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H20BrNO%2Fc1-19%282%2912-13-20-17%2814-6-4-3-5-7-14%2915-8-10-16%2818%2911-9-15%2Fh3-11%2C17H%2C12-13H2%2C1-2H3, 10.8260097503662, 0.146106109023094, , , , , , , , 5.61362314224243, -0.374955803155899, 78.9183349609375, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H29NO3%2Fc1-14%282%2919-11-17%2820%2913-22-18-7-5-15%286-8-18%299-10-21-12-16-3-4-16%2Fh5-8%2C14%2C16-17%2C19-20H%2C3-4%2C9-13H2%2C1-2H3, 8.77159118652344, 0.211975023150444, , , , , , , , 5.07002735137939, -0.38902759552002, 15.9969301223755, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC31H36N2O11.Na%2Fc1-14%282%297-8-16-13-17%289-11-19%2816%2934%2927%2837%2933-21-22%2835%2918-10-12-20%2815%283%2924%2818%2942-28%2821%2938%2941-29-23%2836%2925%2843-30%2832%2939%2926%2840-6%2931%284%2C5%2944-29%3B%2Fh7%2C9-13%2C23%2C25-26%2C29%2C34-36H%2C8H2%2C1-6H3%2C%28H2%2C32%2C39%29%28H%2C33%2C37%29%3B%2Fq%3B%2B1%2Fp-1%2Ft23-%2C25%2B%2C26-%2C29%3F%3B%2Fm1.%2Fs1, 10.071590423584, 0.282573968172073, , , , , , , , -5.81824042455992e-06, -0.390232175588608, 22.9897747039795, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC12H17NO%2Fc1-10-12%2814-9-8-13%2810%292%2911-6-4-3-5-7-11%2Fh3-7%2C10%2C12H%2C8-9H2%2C1-2H3, 9.78232479095459, 0.110802449285984, , , , , , , , 6.28338479995728, -0.373966604471207, 15.9949178695679, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC12H15N3O2S2%2Fc1-12%282%2C3%2910-13-14-11%2818-10%2915-19%2816%2C17%299-7-5-4-6-8-9%2Fh4-8H%2C1-3H3%2C%28H%2C14%2C15%29, 11.8970031738281, 0.222709223628044, , , , , , , , 6.91164827346802, -0.211958780884743, 31.973072052002, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC35H36ClNO3S%2Fc1-34%282%2C40%2930-9-4-3-7-25%2830%2913-17-32%2841-23-35%2818-19-35%2922-33%2838%2939%2927-8-5-6-24%2820-27%2910-15-29-16-12-26-11-14-28%2836%2921-31%2826%2937-29%2Fh3-12%2C14-16%2C20-21%2C32%2C40H%2C13%2C17-19%2C22-23H2%2C1-2H3%2C%28H%2C38%2C39%29, 13.454005241394, 0.259640038013458, , , , , , , , 4.15721988677979, -0.389306753873825, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC9H13NO3%2Fc1-10-5-9%2813%296-2-3-7%2811%298%2812%294-6%2Fh2-4%2C9-13H%2C5H2%2C1H3%2Ft9-%2Fm0%2Fs1, 8.99111080169678, 0.162747964262962, , , , , , , , 4.87124586105347, -0.390812933444977, 15.996922492981, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC12H19NO3%2Fc1-12%282%2C3%2913-7-11%2816%298-4-9%2814%296-10%2815%295-8%2Fh4-6%2C11%2C13-16H%2C7H2%2C1-3H3, 9.26560688018799, 0.106156729161739, , , , , , , , 5.00037097930908, -0.390903681516647, 15.9969253540039, , , , 11.8900003433228, , , , , , , 
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-InChI%3D1S%2FC22H28N6O3S%2Fc1-15%282%2924-19-5-4-8-23-21%2819%2927-9-11-28%2812-10-27%2922%2829%2920-14-16-13-17%2826-32%283%2C30%2931%296-7-18%2816%2925-20%2Fh4-8%2C13-15%2C24-26H%2C9-12H2%2C1-3H3, 10.3092107772827, 0.266547560691833, , , , , , , , 5.4119439125061, -0.304073482751846, 31.9726791381836, , , , 11.9984312057495, , , , , , , 
-InChI%3D1S%2FC52H76O24%2Fc1-18-29%2872-34-14-30%2843%2858%2921%284%2968-34%2973-33-13-28%2854%2942%2857%2920%283%2967-33%2912-26-10-25-11-27%2849%2866-9%2948%2863%2941%2856%2919%282%2953%2950%2847%2862%2939%2825%2946%2861%2938%2826%2940%2818%2955%2976-36-16-31%2844%2859%2923%286%2970-36%2974-35-15-32%2845%2860%2922%285%2969-35%2975-37-17-52%288%2C65%2951%2864%2924%287%2971-37%2Fh10%2C12%2C19-24%2C27-28%2C30-37%2C41-45%2C49-51%2C53-61%2C64-65H%2C11%2C13-17H2%2C1-9H3%2Ft19-%2C20-%2C21-%2C22-%2C23-%2C24-%2C27%3F%2C28-%2C30-%2C31-%2C32-%2C33%2B%2C34%2B%2C35%2B%2C36%2B%2C37%2B%2C41%2B%2C42-%2C43%2B%2C44-%2C45-%2C49%2B%2C50%2B%2C51-%2C52%2B%2Fm1%2Fs1, 11.7240114212036, 0.216585412621498, , , , , , , , 4.9158501625061, -0.390914082527161, 16.0182304382324, , , , 11.8999996185303, , , , , , , 
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-InChI%3D1S%2FC21H28O2%2Fc1-4-21%2823%2912-9-18-16-6-5-14-13-15%2822%297-10-19%2814%2C2%2917%2816%298-11-20%2818%2C21%293%2Fh1%2C13%2C16-18%2C23H%2C5-12H2%2C2-3H3%2Ft16%3F%2C17-%2C18-%2C19%3F%2C20%3F%2C21-%2Fm0%2Fs1, 12.4930076599121, 0.155603647232056, , , , , , , , 4.81239938735962, -0.376852989196777, 15.995924949646, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC35H38Cl2N8O4%2Fc1-3-25%282%2945-34%2846%2944%2824-40-45%2929-7-5-27%286-8-29%2941-14-16-42%2817-15-41%2928-9-11-30%2812-10-28%2947-19-31-20-48-35%2849-31%2C21-43-23-38-22-39-43%2932-13-4-26%2836%2918-33%2832%2937%2Fh4-13%2C18%2C22-25%2C31H%2C3%2C14-17%2C19-21H2%2C1-2H3%2Ft25%3F%2C31-%2C35-%2Fm0%2Fs1, 11.456916809082, 0.363971561193466, , , , , , , , 5.34368753433228, -0.368117153644562, 34.969856262207, , , , 11.9883098602295, , , , , , , 
-InChI%3D1S%2FC43H58N4O12%2Fc1-21-12-11-13-22%282%2942%2855%2945-33-28%2820-44-47-17-15-46%289%2916-18-47%2937%2852%2930-31%2838%2833%2953%2936%2851%2926%286%2940-32%2830%2941%2854%2943%288%2C59-40%2957-19-14-29%2856-10%2923%283%2939%2858-27%287%2948%2925%285%2935%2850%2924%284%2934%2821%2949%2Fh11-14%2C19-21%2C23-25%2C29%2C34-35%2C39%2C49-53H%2C15-18H2%2C1-10H3%2C%28H%2C45%2C55%29%2Fb12-11%2B%2C19-14%2B%2C22-13%3F%2C44-20%2B%2Ft21%3F%2C23-%2C24-%2C25-%2C29%3F%2C34%2B%2C35-%2C39-%2C43%2B%2Fm1%2Fs1, 11.9070377349854, 0.280350834131241, , , , , , , , 4.27691793441772, -0.392640024423599, 16.00905418396, , , , 11.9882774353027, , , , , , , 
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-InChI%3D1S%2FC9H13NO2%2Fc1-2-9%2812-8%2810%2911%296-4-3-5-7-9%2Fh1H%2C3-7H2%2C%28H2%2C10%2C11%29, 9.68525409698486, 0.29637223482132, , , , , , , , 4.50772857666016, -0.345310717821121, 15.9982604980469, , , , 11.9962692260742, , , , , , , 
-InChI%3D1S%2FC22H29FO5%2Fc1-12-8-16-15-5-4-13-9-14%2825%296-7-19%2813%2C2%2921%2815%2C23%2917%2826%2910-20%2816%2C3%2922%2812%2C28%2918%2827%2911-24%2Fh6-7%2C9%2C12%2C15-17%2C24%2C26%2C28H%2C4-5%2C8%2C10-11H2%2C1-3H3%2Ft12-%2C15%2B%2C16%3F%2C17%2B%2C19%2B%2C20%2B%2C21%3F%2C22%2B%2Fm1%2Fs1, 12.8156061172485, 0.190340682864189, , , , , , , , 4.61575698852539, -0.390033602714539, 18.9984073638916, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC3H8O3%2Fc4-1-3%286%292-5%2Fh3-6H%2C1-2H2, 6.06800413131714, 0.100982584059238, , , , , , , , 3.80696511268616, -0.417763918638229, 15.9987001419067, , , , 11.9965486526489, , , , , , , 
-InChI%3D1S%2FC20H25N3O2%2Fc1-3-14%2811-24%2922-20%2825%2913-7-16-15-5-4-6-17-19%2815%2912%289-21-17%298-18%2816%2923%282%2910-13%2Fh4-7%2C9%2C13-14%2C18%2C21%2C24H%2C3%2C8%2C10-11H2%2C1-2H3%2C%28H%2C22%2C25%29%2Ft13-%2C14%2B%2C18-%2Fm1%2Fs1, 11.6309509277344, 0.196138218045235, , , , , , , , 4.46857881546021, -0.393631368875504, 15.9959278106689, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H21NO4%2Fc1-2-8-20-9-7-18-15-11-3-4-12%2821%2916%2815%2924-17%2818%2913%2822%295-6-19%2818%2C23%2914%2820%2910-11%2Fh2-4%2C14%2C17%2C21%2C23H%2C1%2C5-10H2%2Ft14-%2C17%2B%2C18%2B%2C19-%2Fm1%2Fs1, 13.2235078811646, 0.246742561459541, , , , , , , , 5.22640943527222, -0.387515306472778, 15.9979362487793, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H24N2S%2Fc1-4-20%285-2%2915%283%2914-21-16-10-6-8-12-18%2816%2922-19-13-9-7-11-17%2819%2921%2Fh6-13%2C15H%2C4-5%2C14H2%2C1-3H3, 12.1146030426025, 0.209912061691284, , , , , , , , 5.79815244674683, -0.299573630094528, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H18ClNS%2Fc1-20%282%2911-5-7-14-15-6-3-4-8-17%2815%2921-18-10-9-13%2819%2912-16%2814%2918%2Fh3-4%2C6-10%2C12H%2C5%2C11H2%2C1-2H3, 12.4677152633667, 0.186379179358482, , , , , , , , 5.75435543060303, -0.308648973703384, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC11H13N3O3S%2Fc1-7-8%282%2913-17-11%287%2914-18%2815%2C16%2910-5-3-9%2812%294-6-10%2Fh3-6%2C14H%2C12H2%2C1-2H3, 11.3751792907715, 0.222524747252464, , , , , , , , 5.71931219100952, -0.322940647602081, 31.9720726013184, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC14H14N8O4S3%2Fc1-6-17-18-14%2829-6%2928-4-7-3-27-12-9%2811%2824%2922%2812%2910%287%2913%2825%2926%2916-8%2823%292-21-5-15-19-20-21%2Fh5%2C9%2C12H%2C2-4H2%2C1H3%2C%28H%2C16%2C23%29%28H%2C25%2C26%29%2Ft9%3F%2C12-%2Fm1%2Fs1, 12.5379257202148, 0.302262723445892, , , , , , , , 4.99725484848022, -0.347365438938141, 31.9740753173828, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC15H17N5O6S2%2Fc1-25-3-6-4-27-13-9%2812%2822%2920%2813%2910%286%2914%2823%2924%2918-11%2821%298%2819-26-2%297-5-28-15%2816%2917-7%2Fh5%2C9%2C13H%2C3-4H2%2C1-2H3%2C%28H2%2C16%2C17%29%28H%2C18%2C21%29%28H%2C23%2C24%29%2Fb19-8%2B%2Ft9-%2C13-%2Fm1%2Fs1, 11.8816404342651, 0.302307188510895, , , , , , , , 4.70281553268433, -0.379579901695251, 31.9730739593506, , , , 11.9943437576294, , , , , , , 
-InChI%3D1S%2FC32H53N2O4.BrH%2Fc1-5-14-34%2815-6-7-16-34%2928-20-26-24-9-8-23-19-29%2836%2927%2833-12-17-37-18-13-33%2921-32%2823%2C4%2925%2824%2910-11-31%2826%2C3%2930%2828%2938-22%282%2935%3B%2Fh5%2C23-30%2C36H%2C1%2C6-21H2%2C2-4H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft23-%2C24%3F%2C25-%2C26%3F%2C27-%2C28%3F%2C29-%2C30-%2C31-%2C32-%3B%2Fm0.%2Fs1, 13.1842947006226, 0.258804857730865, , , , , , , , 3.49999165534973, -0.391051262617111, 78.9183349609375, , , , 11.9942388534546, , , , , , , 
-InChI%3D1S%2FC13H12N8O4S3%2Fc22-7%281-20-4-14-18-19-20%2916-8-10%2823%2921-9%2812%2824%2925%296%282-26-11%288%2921%293-27-13-17-15-5-28-13%2Fh4-5%2C8%2C11H%2C1-3H2%2C%28H%2C16%2C22%29%28H%2C24%2C25%29%2Ft8%3F%2C11-%2Fm1%2Fs1, 12.4986219406128, 0.302258461713791, , , , , , , , 4.99234294891357, -0.347363203763962, 31.9740753173828, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC8H17NO%2Fc1-3-5-7%286-4-2%298%289%2910%2Fh7H%2C3-6H2%2C1-2H3%2C%28H2%2C9%2C10%29, 9.07875442504883, 0.159235641360283, , , , , , , , 4.99220848083496, -0.372065722942352, 15.9979438781738, , , , 11.9962921142578, , , , , , , 
-InChI%3D1S%2FC17H23NO2%2Fc1-4-20-16%2819%2917%2814-10-6-5-7-11-14%2913-9-8-12-15%2817%2918%282%293%2Fh5-8%2C10-12%2C15H%2C4%2C9%2C13H2%2C1-3H3%2Ft15-%2C17%3F%2Fm1%2Fs1, 13.0933799743652, 0.270240634679794, , , , , , , , 5.13880777359009, -0.31552529335022, 15.9959239959717, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC20H27NO3%2Fc1-18-7-6-14-12%2813%2818%293-4-15%2818%2922%295-8-20-17%2824-20%2916%2823%2911%2810-21%299-19%2814%2C20%292%2Fh12-15%2C17%2C22-23H%2C3-9H2%2C1-2H3%2Ft12-%2C13-%2C14%3F%2C15-%2C17%2B%2C18%3F%2C19%2B%2C20%2B%2Fm0%2Fs1, 12.7743062973022, 0.150847136974335, , , , , , , , 4.68829727172852, -0.392016381025314, 15.9969310760498, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC20H26N2%2Fc1-16%2814-21%282%293%2915-22-19-10-6-4-8-17%2819%2912-13-18-9-5-7-11-20%2818%2922%2Fh4-11%2C16H%2C12-15H2%2C1-3H3, 11.9038219451904, 0.178860992193222, , , , , , , , 5.86926174163818, -0.308678478002548, 14.0040941238403, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC22H22FN3O3%2Fc23-17-7-5-15%286-8-17%2920%2827%2916-9-11-25%2812-10-16%2913-14-26-21%2828%2918-3-1-2-4-19%2818%2924-22%2826%2929%2Fh1-8%2C16H%2C9-14H2%2C%28H%2C24%2C29%29, 9.85196685791016, 0.292390674352646, , , , , , , , 4.03347826004028, -0.364742189645767, 18.9984073638916, , , , 11.988395690918, , , , , , , 
-InChI%3D1S%2FC20H14I6N2O6%2Fc21-7-5-9%2823%2917%2815%2825%2913%287%2919%2831%2932%2927-11%2829%293-1-2-4-12%2830%2928-18-10%2824%296-8%2822%2914%2816%2818%2926%2920%2833%2934%2Fh5-6H%2C1-4H2%2C%28H%2C27%2C29%29%28H%2C28%2C30%29%28H%2C31%2C32%29%28H%2C33%2C34%29, 16.3517036437988, 0.27039909362793, , , , , , , , 5.70792865753174, -0.372165709733963, 126.909477233887, , , , 11.996150970459, , , , , , , 
-InChI%3D1S%2FC10H14N5O7P%2Fc11-8-5-9%2813-2-12-8%2915%283-14-5%2910-7%2817%296%2816%294%2822-10%291-21-23%2818%2C19%2920%2Fh2-4%2C6-7%2C10%2C16-17H%2C1H2%2C%28H2%2C11%2C12%2C13%29%28H2%2C18%2C19%2C20%29%2Ft4%3F%2C6-%2C7%3F%2C10-%2Fm1%2Fs1, 9.69219398498535, 0.44891545176506, , , , , , , , 2.46578526496887, -0.38776957988739, 30.973762512207, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC14H17N5O3%2Fc1-2-18-8-10%2813%2821%2922%2911%2820%299-7-16-14%2817-12%289%2918%2919-5-3-15-4-6-19%2Fh7-8%2C15H%2C2-6H2%2C1H3%2C%28H%2C21%2C22%29, 10.3335933685303, 0.270495414733887, , , , , , , , 4.37727975845337, -0.331207156181335, 15.9969329833984, , , , 11.9943561553955, , , , , , , 
-InChI%3D1S%2FC14H30N2O4.2ClH%2Fc1-15%282%2C3%299-11-19-13%2817%297-8-14%2818%2920-12-10-16%284%2C5%296%3B%3B%2Fh7-12H2%2C1-6H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2, 8.75108623504639, 0.263151943683624, , , , , , , , 2.34200000762939, -0.382806003093719, 34.969856262207, , , , 11.9933557510376, , , , , , , 
-InChI%3D1S%2FC16H19N3O5S%2Fc1-24-9-7-25-15-11%2814%2821%2919%2815%2912%289%2916%2822%2923%2918-13%2820%2910%2817%298-5-3-2-4-6-8%2Fh2-3%2C6%2C10-11%2C15H%2C4-5%2C7%2C17H2%2C1H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft10-%2C11-%2C15-%2Fm1%2Fs1, 11.7495603561401, 0.304560482501984, , , , , , , , 4.67711925506592, -0.350613325834274, 31.9720726013184, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC27H30O6%2Fc1-19%282%2913-15-31-22-8-5-21%286-9-22%297-12-25%2828%2924-11-10-23%2832-16-14-20%283%294%2917-26%2824%2933-18-27%2829%2930%2Fh5-14%2C17H%2C15-16%2C18H2%2C1-4H3%2C%28H%2C29%2C30%29, 10.0755615234375, 0.284797787666321, , , , , , , , 3.72201871871948, -0.367895066738129, 15.9999551773071, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC28H31NO5%2Fc1-18-6-10-20%2811-7-18%2926%2831%2933-24-15-14-22%2823%2830%2917-29-28%283%2C4%295%2916-25%2824%2934-27%2832%2921-12-8-19%282%299-13-21%2Fh6-16%2C23%2C29-30H%2C17H2%2C1-5H3, 9.92281341552734, 0.271386861801147, , , , , , , , 5.03847551345825, -0.39067804813385, 15.9989528656006, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC17H19N5%2Fc1-16%282%2C9-18%2914-5-13%288-22-12-20-11-21-22%296-15%287-14%2917%283%2C4%2910-19%2Fh5-7%2C11-12H%2C8H2%2C1-4H3, 10.9086027145386, 0.294777780771255, , , , , , , , 4.74876308441162, -0.434645146131516, 14.0500831604004, , , , 11.952938079834, , , , , , , 
-InChI%3D1S%2FC7H13BrN2O2%2Fc1-3-7%288%2C4-2%295%2811%2910-6%289%2912%2Fh3-4H2%2C1-2H3%2C%28H3%2C9%2C10%2C11%2C12%29, 12.0793771743774, 0.259386122226715, , , , , , , , 4.70833539962769, -0.369020134210587, 78.9183349609375, , , , 11.996319770813, , , , , , , 
-InChI%3D1S%2FC20H30O%2Fc1-16%288-6-9-17%282%2913-15-21%2911-12-19-18%283%2910-7-14-20%2819%2C4%295%2Fh6%2C8-9%2C11-13%2C21H%2C7%2C10%2C14-15H2%2C1-5H3, 11.4008369445801, 0.0798178613185883, , , , , , , , 4.23885440826416, -0.391701757907867, 15.9949197769165, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC21H27NO%2Fc23-21%2819-11-4-1-5-12-19%2C20-13-6-2-7-14-20%2915-10-18-22-16-8-3-9-17-22%2Fh1-2%2C4-7%2C11-14%2C23H%2C3%2C8-10%2C15-18H2, 11.9781160354614, 0.147009208798409, , , , , , , , 6.78768253326416, -0.388091921806335, 15.9949207305908, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC22H26NO3.BrH%2Fc1-23-14-12-17%2813-15-23%2920%2816-23%2926-21%2824%2922%2825%2C18-8-4-2-5-9-18%2919-10-6-3-7-11-19%3B%2Fh2-11%2C17%2C20%2C25H%2C12-16H2%2C1H3%3B1H%2Fq%2B1%3B%2Fp-1, 11.9963989257812, 0.295175582170486, , , , , , , , 3.4999942779541, -0.377842009067535, 78.9183349609375, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC21H26N2S2%2Fc1-22-13-6-5-7-16%2822%2912-14-23-18-8-3-4-9-20%2818%2925-21-11-10-17%2824-2%2915-19%2821%2923%2Fh3-4%2C8-11%2C15-16H%2C5-7%2C12-14H2%2C1-2H3, 12.5539274215698, 0.172708824276924, , , , , , , , 6.4429669380188, -0.302994459867477, 31.9730739593506, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC10H12ClN3O3S%2Fc1-2-9-13-7-4-6%2811%298%2818%2812%2C16%2917%293-5%287%2910%2815%2914-9%2Fh3-4%2C9%2C13H%2C2H2%2C1H3%2C%28H%2C14%2C15%29%28H2%2C12%2C16%2C17%29, 12.296763420105, 0.245159581303596, , , , , , , , 5.61958646774292, -0.347786426544189, 34.9688529968262, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC15H23N3O3S%2Fc1-15%282%2911%2814%2820%2921%2918-12%2819%2910%2813%2818%2922-15%2916-9-17-7-5-3-4-6-8-17%2Fh9-11%2C13H%2C3-8H2%2C1-2H3%2C%28H%2C20%2C21%29%2Fb16-9%2B%2Ft10-%2C11%2B%2C13-%2Fm1%2Fs1, 12.0693922042847, 0.278234720230103, , , , , , , , 4.77324247360229, -0.330361276865005, 31.9720726013184, , , , 11.9943437576294, , , , , , , 
-InChI%3D1S%2FC20H30O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh12%2C15-18%2C22H%2C3-11H2%2C1-2H3%2Ft15-%2C16%2B%2C17%3F%2C18-%2C19-%2C20-%2Fm0%2Fs1, 12.1666955947876, 0.155537560582161, , , , , , , , 4.73431062698364, -0.389079838991165, 15.995924949646, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC16H22FNO%2Fc1-13-8-11-18%2812-9-13%2910-2-3-16%2819%2914-4-6-15%2817%297-5-14%2Fh4-7%2C13H%2C2-3%2C8-12H2%2C1H3, 8.9470911026001, 0.152253612875938, , , , , , , , 4.00887107849121, -0.30330953001976, 18.998405456543, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC7H6ClN3O4S2%2Fc8-4-1-5-7%282-6%284%2916%289%2C12%2913%2917%2814%2C15%2911-3-10-5%2Fh1-3H%2C%28H%2C10%2C11%29%28H2%2C9%2C12%2C13%29, 12.7846651077271, 0.245256841182709, , , , , , , , 7.26403903961182, -0.268670529127121, 34.9688529968262, , , , 11.9989995956421, , , , , , , 
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-InChI%3D1S%2FC10H17NO2%2Fc1-4-10%285-2%298%2812%297%283%296-11-9%2810%2913%2Fh7H%2C4-6H2%2C1-3H3%2C%28H%2C11%2C13%29, 10.9808788299561, 0.17193329334259, , , , , , , , 5.50217485427856, -0.371041506528854, 15.9982614517212, , , , 11.9962491989136, , , , , , , 
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-InChI%3D1S%2FC22H27ClO3%2Fc1-11%2824%2922%2826%297-5-14-12-9-18%2823%2917-10-19%2825%2913-8-16%2813%2921%2817%2C3%2915%2812%294-6-20%2814%2C22%292%2Fh9-10%2C12-16%2C26H%2C4-8H2%2C1-3H3%2Ft12%3F%2C13%3F%2C14-%2C15-%2C16-%2C20-%2C21-%2C22-%2Fm0%2Fs1, 13.5207214355469, 0.162237748503685, , , , , , , , 5.1321120262146, -0.38135102391243, 34.9693794250488, , , , 11.9985055923462, , , , , , , 
-InChI%3D1S%2FC15H10O2%2Fc16-14-11-8-4-5-9-12%2811%2915%2817%2913%2814%2910-6-2-1-3-7-10%2Fh1-9%2C13H, 10.5158214569092, 0.153585121035576, , , , , , , , 5.48176574707031, -0.298643350601196, 15.995922088623, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC4H11NO%2Fc1-5%282%293-4-6%2Fh6H%2C3-4H2%2C1-2H3, 6.77825117111206, 0.0564239174127579, , , , , , , , 3.91112232208252, -0.394428342580795, 15.9949159622192, , , , 11.9936571121216, , , , , , , 
-InChI%3D1S%2FC9H9Cl2NO2%2Fc1-12%289%2814%298%2810%2911%296-2-4-7%2813%295-3-6%2Fh2-5%2C8%2C13H%2C1H3, 9.71936416625977, 0.262309670448303, , , , , , , , 4.796142578125, -0.385726094245911, 34.970157623291, , , , 11.9985370635986, , , , , , , 
-InChI%3D1S%2FC17H20ClNO%2Fc1-19%282%2913-12-17%2820%2C14-8-4-3-5-9-14%2915-10-6-7-11-16%2815%2918%2Fh3-11%2C20H%2C12-13H2%2C1-2H3, 12.357006072998, 0.14824253320694, , , , , , , , 5.88455486297607, -0.387964993715286, 34.9693794250488, , , , 11.9985122680664, , , , , , , 
-InChI%3D1S%2FC12H19N2O2%2Fc1-13%282%2912%2815%2916-11-8-6-7-10%289-11%2914%283%2C4%295%2Fh6-9H%2C1-5H3%2Fq%2B1, 9.85480213165283, 0.340202659368515, , , , , , , , 4.52609586715698, -0.344223022460938, 15.9959230422974, , , , 11.99338722229, , , , , , , 
-InChI%3D1S%2FC7H10N2O2S%2Fc1-3-11-7%2810%299-5-4-8%282%296%289%2912%2Fh4-5H%2C3H2%2C1-2H3, 10.6167764663696, 0.345745593309402, , , , , , , , 4.85470294952393, -0.302696228027344, 31.9742794036865, , , , 11.9970531463623, , , , , , , 
-InChI%3D1S%2FC7H9ClO%2Fc1-3-7%289%2C4-2%295-6-8%2Fh1%2C5-6%2C9H%2C4H2%2C2H3, 9.14100360870361, 0.219353035092354, , , , , , , , 4.94197177886963, -0.40267938375473, 34.9688529968262, , , , 11.6899995803833, , , , , , , 
-InChI%3D1S%2FC5H8N4O12%2Fc10-6%2811%2918-1-5%282-19-7%2812%2913%2C3-20-8%2814%2915%294-21-9%2816%2917%2Fh1-4H2, 9.68600463867188, 0.286349326372147, , , , , , , , 2.92219424247742, -0.215046808123589, 16.0178508758545, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC26H34FNO5%2Fc1-15%282%2925-21%2811-10-19%2829%2912-20%2830%2913-23%2831%2932%2924%2817-6-8-18%2827%299-7-17%2922%2814-33-5%2926%2828-25%2916%283%294%2Fh6-11%2C15-16%2C19-20%2C29-30H%2C12-14H2%2C1-5H3%2C%28H%2C31%2C32%29%2Fb11-10%2B%2Ft19-%2C20-%2Fm1%2Fs1, 12.8434772491455, 0.261537551879883, , , , , , , , 3.81894111633301, -0.3922019302845, 18.9984092712402, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC16H18N4O2%2Fc21-15%2818-12-13-4-2-1-3-5-13%298-11-19-20-16%2822%2914-6-9-17-10-7-14%2Fh1-7%2C9-10%2C19H%2C8%2C11-12H2%2C%28H%2C18%2C21%29%28H%2C20%2C22%29, 8.73483276367188, 0.221466958522797, , , , , , , , 4.92621898651123, -0.34830716252327, 15.9959268569946, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H17N7O8S4%2Fc1-23-16%2820-21-22-23%2934-4-5-3-33-15-17%2832-2%2C14%2831%2924%2815%297%285%2911%2829%2930%2919-9%2826%2913-35-12%2836-13%296%288%2818%2925%2910%2827%2928%2Fh13%2C15H%2C3-4H2%2C1-2H3%2C%28H2%2C18%2C25%29%28H%2C19%2C26%29%28H%2C27%2C28%29%28H%2C29%2C30%29%2Ft13%3F%2C15%3F%2C17-%2Fm0%2Fs1, 13.0430192947388, 0.321107596158981, , , , , , , , 4.88614892959595, -0.347982436418533, 31.9750785827637, , , , 11.9961700439453, , , , , , , 
-InChI%3D1S%2FC14H16N2O6S3.2Na%2Fc17-23%2818%299-15-11-1-5-13%286-2-11%2925%2821%2C22%2914-7-3-12%284-8-14%2916-10-24%2819%2920%3B%3B%2Fh1-8%2C15-16H%2C9-10H2%2C%28H%2C17%2C18%29%28H%2C19%2C20%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2, 12.0199871063232, 0.268857270479202, , , , , , , , -0.00100000004749745, -0.295747488737106, 31.9740753173828, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC5H9NO3S%2Fc1-3%2810%295%289%296-2-4%287%298%2Fh3%2C10H%2C2H2%2C1H3%2C%28H%2C6%2C9%29%28H%2C7%2C8%29, 9.46259689331055, 0.280669838190079, , , , , , , , 3.73111987113953, -0.370767176151276, 31.9720706939697, , , , 11.9964008331299, , , , , , , 
-InChI%3D1S%2FC11H15NO5%2Fc1-15-9-4-2-3-5-10%289%2916-6-8%2813%297-17-11%2812%2914%2Fh2-5%2C8%2C13H%2C6-7H2%2C1H3%2C%28H2%2C12%2C14%29, 8.5165901184082, 0.295034825801849, , , , , , , , 4.14347124099731, -0.388177484273911, 15.9999961853027, , , , 11.9962329864502, , , , , , , 
-InChI%3D1S%2FC9H5ClINO%2Fc10-6-4-7%2811%299%2813%298-5%286%292-1-3-12-8%2Fh1-4%2C13H, 12.9428472518921, 0.157848447561264, , , , , , , , 6.6364951133728, -0.405124396085739, 126.904472351074, , , , 11.9962692260742, , , , , , , 
-InChI%3D1S%2FC22H26N2O4S%2Fc1-15%2825%2928-20-21%2816-9-11-17%2827-4%2912-10-16%2929-19-8-6-5-7-18%2819%2924%2822%2820%2926%2914-13-23%282%293%2Fh5-12%2C20-21H%2C13-14H2%2C1-4H3%2Ft20-%2C21%3F%2Fm1%2Fs1, 13.6201953887939, 0.302404433488846, , , , , , , , 4.39615106582642, -0.373956710100174, 31.9720726013184, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC16H20N4O2.2H2O%2Fc1-5-6-11-14%2821%2919-13-9-10%282%297-8-12%2813%2917-16%2818%283%294%2920%2819%2915%2811%2922%3B%3B%2Fh7-9%2C11H%2C5-6H2%2C1-4H3%3B2%2A1H2, 11.1105508804321, 0.306726694107056, , , , , , , , 1.43700003623962, -0.412000238895416, 16.0062885284424, , , , 11.9884643554688, , , , , , , 
-InChI%3D1S%2FC15H17NS2%2Fc1-16-8-2-5-12%2811-16%2915%2813-6-3-9-17-13%2914-7-4-10-18-14%2Fh3-4%2C6-7%2C9-10H%2C2%2C5%2C8%2C11H2%2C1H3, 13.9241933822632, 0.0631722137331963, , , , , , , , 6.37130641937256, -0.330042660236359, 31.973072052002, , , , 11.9943437576294, , , , , , , 
-InChI%3D1S%2FC14H18N4O3%2Fc1-19-10-5-8%286-11%2820-2%2912%2810%2921-3%294-9-7-17-14%2816%2918-13%289%2915%2Fh5-7H%2C4H2%2C1-3H3%2C%28H4%2C15%2C16%2C17%2C18%29, 10.1095561981201, 0.178575396537781, , , , , , , , 5.02934741973877, -0.386139035224915, 15.9969310760498, , , , 11.9779167175293, , , , , , , 
-InChI%3D1S%2FC16H15F2N3O4S%2Fc1-23-13-5-6-19-12%2814%2813%2924-2%298-26%2822%2916-20-10-4-3-9%2825-15%2817%2918%297-11%2810%2921-16%2Fh3-7%2C15H%2C8H2%2C1-2H3%2C%28H%2C20%2C21%29, 11.034854888916, 0.34597784280777, , , , , , , , 3.01016139984131, -0.371644765138626, 31.9720726013184, , , , 11.9883308410645, , , , , , , 
-InChI%3D1S%2FC22H24N2O8%2Fc1-21%2831%298-5-4-6-11%2825%2912%288%2916%2826%2913-9%2821%297-10-15%2824%282%293%2917%2827%2914%2820%2823%2930%2919%2829%2922%2810%2C32%2918%2813%2928%2Fh4-6%2C9-10%2C15%2C25%2C27-28%2C31-32H%2C7H2%2C1-3H3%2C%28H2%2C23%2C30%29%2Ft9-%2C10-%2C15%3F%2C21%2B%2C22%3F%2Fm0%2Fs1, 12.5397310256958, 0.207745432853699, , , , , , , , 5.50716543197632, -0.389228194952011, 16.0025768280029, , , , 11.9961414337158, , , , , , , 
-InChI%3D1S%2FC16H17N9O5S3%2Fc1-24-16%2820-22-23-24%2933-4-6-3-31-13-9%2812%2827%2925%2813%2910%286%2914%2828%2929%2919-11%2826%298%2821-30-2%297-5-32-15%2817%2918-7%2Fh5%2C9%2C13H%2C3-4H2%2C1-2H3%2C%28H2%2C17%2C18%29%28H%2C19%2C26%29%28H%2C28%2C29%29%2Fb21-8%2B%2Ft9%3F%2C13-%2Fm1%2Fs1, 12.3163213729858, 0.302281558513641, , , , , , , , 4.70446920394897, -0.343660354614258, 31.9740753173828, , , , 11.9943323135376, , , , , , , 
-InChI%3D1S%2FC11H13N%2Fc1-3-9-12%282%2910-11-7-5-4-6-8-11%2Fh1%2C4-8H%2C9-10H2%2C2H3, 8.89503002166748, 0.136110708117485, , , , , , , , 4.55138254165649, -0.294490367174149, 14.0030794143677, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC15H19N5%2Fc1-19%282%296-5-13-8-17-15-4-3-12%287-14%2813%2915%299-20-11-16-10-18-20%2Fh3-4%2C7-8%2C10-11%2C17H%2C5-6%2C9H2%2C1-2H3, 9.97477054595947, 0.192674055695534, , , , , , , , 5.54885911941528, -0.308935225009918, 14.0071125030518, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC26H27NO9%2Fc1-10-21%2829%2915%2827%297-17%2835-10%2936-16-9-26%2834%2C11%282%2928%298-14-18%2816%2925%2833%2920-19%2824%2814%2932%2922%2830%2912-5-3-4-6-13%2812%2923%2820%2931%2Fh3-6%2C10%2C15-17%2C21%2C29%2C32-34H%2C7-9%2C27H2%2C1-2H3%2Ft10-%2C15-%2C16-%2C17-%2C21%3F%2C26-%2Fm0%2Fs1, 11.5101041793823, 0.216765180230141, , , , , , , , 4.9540638923645, -0.389022141695023, 16.0029773712158, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC12H14N4O4S%2Fc1-19-11-7-10%2814-12%2815-11%2920-2%2916-21%2817%2C18%299-5-3-8%2813%294-6-9%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29, 11.5160102844238, 0.273314476013184, , , , , , , , 4.79904460906982, -0.356740206480026, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC9H16ClN3O7%2Fc10-1-2-13%2812-19%299%2818%2911-5-7%2816%296%2815%294%283-14%2920-8%285%2917%2Fh4-8%2C14-17H%2C1-3H2%2C%28H%2C11%2C18%29%2Ft4-%2C5%3F%2C6-%2C7-%2C8%3F%2Fm1%2Fs1, 9.31863594055176, 0.257397323846817, , , , , , , , 3.55236673355103, -0.393314152956009, 34.9688529968262, , , , 11.9962682723999, , , , , , , 
-InChI%3D1S%2FC21H27N3O2%2Fc1-4-15%2812-25%2922-21%2826%2914-8-17-16-6-5-7-18-20%2816%2913%2810-23%2818%292%299-19%2817%2924%283%2911-14%2Fh5-8%2C10%2C14-15%2C19%2C25H%2C4%2C9%2C11-12H2%2C1-3H3%2C%28H%2C22%2C26%29%2Ft14-%2C15%2B%2C19-%2Fm1%2Fs1, 11.7337341308594, 0.186266407370567, , , , , , , , 4.46938180923462, -0.393636971712112, 15.9959278106689, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H23NO3%2Fc1-19-8-7-18-11-4-5-13%2820%2917%2818%2922-16-14%2821-2%296-3-10%2815%2816%2918%299-12%2811%2919%2Fh3%2C6%2C11-13%2C17%2C20H%2C4-5%2C7-9H2%2C1-2H3%2Ft11-%2C12%3F%2C13%3F%2C17-%2C18%3F%2Fm0%2Fs1, 12.9832038879395, 0.141402050852776, , , , , , , , 5.08930730819702, -0.389946818351746, 15.9969301223755, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC22H22FN3O2%2Fc23-17-9-7-16%288-10-17%2921%2827%296-3-13-25-14-11-18%2812-15-25%2926-20-5-2-1-4-19%2820%2924-22%2826%2928%2Fh1-2%2C4-5%2C7-11H%2C3%2C6%2C12-15H2%2C%28H%2C24%2C28%29, 10.5103216171265, 0.257138669490814, , , , , , , , 4.0095739364624, -0.356859177350998, 18.9984073638916, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC5H9Cl2N3O2%2Fc6-1-3-8-5%2811%2910%289-12%294-2-7%2Fh1-4H2%2C%28H%2C8%2C11%29, 8.15857315063477, 0.236397817730904, , , , , , , , 3.48713660240173, -0.334356427192688, 34.9701538085938, , , , 11.9985771179199, , , , , , , 
-InChI%3D1S%2FC29H40NO4.BrH%2Fc1-3-4-18-33-26-14-10-22%2811-15-26%2916-17-30%282%2924-12-13-25%2830%2920-27%2819-24%2934-29%2832%2928%2821-31%2923-8-6-5-7-9-23%3B%2Fh5-11%2C14-15%2C24-25%2C27-28%2C31H%2C3-4%2C12-13%2C16-21H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft24-%2C25-%2C27-%2C28-%2C30%3F%3B%2Fm1.%2Fs1, 11.8617353439331, 0.267840325832367, , , , , , , , 3.49999141693115, -0.395009130239487, 78.9183349609375, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC19H21NO3%2Fc1-2-8-20-9-7-19-12-4-6-15%2822%2918%2819%2923-17-14%2821%295-3-11%2816%2817%2919%2910-13%2812%2920%2Fh2-6%2C12-13%2C15%2C18%2C21-22H%2C1%2C7-10H2%2Ft12-%2C13%2B%2C15%3F%2C18-%2C19%3F%2Fm0%2Fs1, 13.1097574234009, 0.24552883207798, , , , , , , , 5.46666765213013, -0.38609704375267, 15.9969301223755, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC9H16ClN3O2%2Fc10-6-7-13%2812-15%299%2814%2911-8-4-2-1-3-5-8%2Fh8H%2C1-7H2%2C%28H%2C11%2C14%29, 8.93741703033447, 0.257092356681824, , , , , , , , 3.54045677185059, -0.354798465967178, 34.9688529968262, , , , 11.9962682723999, , , , , , , 
-InChI%3D1S%2FC42H53NO15%2Fc1-8-42%2851%2917-28%2833-22%2835%2842%2941%2850%2952-7%2914-23-34%2838%2833%2949%2937%2848%2932-21%2836%2823%2947%2910-9-11-26%2832%2945%2956-30-15-24%2843%285%296%2939%2819%283%2954-30%2958-31-16-27%2846%2940%2820%284%2955-31%2957-29-13-12-25%2844%2918%282%2953-29%2Fh9-11%2C14%2C18-20%2C24%2C27-31%2C35%2C39-40%2C45-46%2C49%2C51H%2C8%2C12-13%2C15-17H2%2C1-7H3%2Ft18-%2C19-%2C20-%2C24-%2C27-%2C28-%2C29-%2C30-%2C31-%2C35-%2C39%2B%2C40%2B%2C42%2B%2Fm0%2Fs1, 12.060453414917, 0.267789721488953, , , , , , , , 4.46005201339722, -0.390497833490372, 16.0090808868408, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC51H79NO13%2Fc1-30-16-12-11-13-17-31%282%2942%2861-8%2928-38-21-19-36%287%2951%2860%2C65-38%2948%2857%2949%2858%2952-23-15-14-18-39%2852%2950%2859%2964-43%2833%284%2926-37-20-22-40%2853%2944%2827-37%2962-9%2929-41%2854%2932%283%2925-35%286%2946%2856%2947%2863-10%2945%2855%2934%285%2924-30%2Fh11-13%2C16-17%2C25%2C30%2C32-34%2C36-40%2C42-44%2C46-47%2C53%2C56%2C60H%2C14-15%2C18-24%2C26-29H2%2C1-10H3%2Fb13-11%2B%2C16-12%2B%2C31-17%3F%2C35-25%2B%2Ft30-%2C32-%2C33-%2C34-%2C36-%2C37%2B%2C38%2B%2C39%2B%2C40-%2C42%2B%2C43%2B%2C44%3F%2C46-%2C47%2B%2C51%3F%2Fm1%2Fs1, 10.9673089981079, 0.280404895544052, , , , , , , , 4.9516487121582, -0.390556067228317, 16.0070896148682, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC14H19Cl2NO2%2Fc15-8-10-17%2811-9-16%2913-6-4-12%285-7-13%292-1-3-14%2818%2919%2Fh4-7H%2C1-3%2C8-11H2%2C%28H%2C18%2C19%29, 10.3081579208374, 0.258933156728745, , , , , , , , 3.77535319328308, -0.331606537103653, 34.9698524475098, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC40H71NO14%2Fc1-15-27-40%2811%2C48%2933%2844%2922%285%2930%2843%2920%283%2918-38%289%2C47%2935%2855-37-32%2853-28%2842%2916-2%2926%2841%2812%2913%2917-21%284%2950-37%2923%286%2931%2824%287%2936%2846%2952-27%2954-29-19-39%2810%2C49-14%2934%2845%2925%288%2951-29%2Fh20-27%2C29%2C31-35%2C37%2C44-45%2C47-48H%2C15-19H2%2C1-14H3%2Ft20-%2C21-%2C22%2B%2C23%2B%2C24-%2C25%2B%2C26%2B%2C27-%2C29%2B%2C31%2B%2C32%3F%2C33-%2C34%2B%2C35-%2C37%2B%2C38-%2C39-%2C40-%2Fm1%2Fs1, 12.3136119842529, 0.267468154430389, , , , , , , , 4.51567459106445, -0.411472141742706, 16.0083923339844, , , , 11.99609375, , , , , , , 
-InChI%3D1S%2FC11H16N2O3%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%2Fh6H%2C4-5H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 12.0060663223267, 0.371316254138947, , , , , , , , 4.33459234237671, -0.369576990604401, 15.9987077713013, , , , 11.9962329864502, , , , , , , 
-InChI%3D1S%2FC4H6O6%2Fc5-1%283%287%298%292%286%294%289%2910%2Fh1-2%2C5-6H%2C%28H%2C7%2C8%29%28H%2C9%2C10%29, 7.05688238143921, 0.310054004192352, , , , , , , , 3.78953123092651, -0.380174368619919, 16.0007801055908, , , , 11.9964609146118, , , , , , , 
-InChI%3D1S%2FC8H9FN2O3.C4H4N2O2%2Fc9-5-4-11%286-2-1-3-14-6%298%2813%2910-7%285%2912%3B7-3-1-2-5-4%288%296-3%2Fh4%2C6H%2C1-3H2%2C%28H%2C10%2C12%2C13%29%3B1-2H%2C%28H2%2C5%2C6%2C7%2C8%29, 8.95957374572754, 0.279208898544312, , , , , , , , 4.29700183868408, -0.396907716989517, 18.9984073638916, , , , 11.9962186813354, , , , , , , 
-InChI%3D1S%2FC15H15ClN2O4S%2Fc1-8-4-3-5-9%282%2914%288%2918-15%2820%2910-6-13%2823%2817%2C21%2922%2911%2816%297-12%2810%2919%2Fh3-7%2C19H%2C1-2H3%2C%28H%2C18%2C20%29%28H2%2C17%2C21%2C22%29, 12.3546276092529, 0.245198041200638, , , , , , , , 5.86170148849487, -0.384881198406219, 34.9688529968262, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC41H64O8%2Fc1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36%2845%2949-29-37%2846%2948-28-35%2844%2941%2847%2925-23-33-32-21-20-30-26-31%2842%2922-24-39%2830%2C2%2938%2832%2934%2843%2927-40%2833%2C41%293%2Fh22%2C24%2C26%2C32-34%2C38%2C43%2C47H%2C4-21%2C23%2C25%2C27-29H2%2C1-3H3%2Ft32%3F%2C33-%2C34-%2C38%2B%2C39-%2C40-%2C41-%2Fm0%2Fs1, 12.805926322937, 0.288569569587708, , , , , , , , 4.32003021240234, -0.392657071352005, 16.0019969940186, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC10H20N2O4%2Fc1-4-7%282%2910%283%2C5-15-8%2811%2913%296-16-9%2812%2914%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C11%2C13%29%28H2%2C12%2C14%29, 10.7171297073364, 0.295015305280685, , , , , , , , 4.34896326065063, -0.345450311899185, 15.9992914199829, , , , 11.9962491989136, , , , , , , 
-InChI%3D1S%2FC12H16N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh6H%2C2-5%2C7H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29, 12.2478790283203, 0.371319055557251, , , , , , , , 4.34970617294312, -0.369577884674072, 15.9987087249756, , , , 11.9962186813354, , , , , , , 
-InChI%3D1S%2FC58H80N2O14.2ClH%2Fc1-59%2837-42%2844-35-49%2865-5%2948%2864-4%2934-43%2844%2938-59%2927-39-29-51%2867-7%2957%2871-11%2952%2830-39%2968-8%2922-17-25-73-55%2861%2919-15-13-14-16-20-56%2862%2974-26-18-23-60%282%2924-21-41-33-47%2863-3%2950%2866-6%2936-45%2841%2946%2860%2928-40-31-53%2869-9%2958%2872-12%2954%2832-40%2970-10%3B%3B%2Fh13-14%2C29-36%2C42%2C46H%2C15-28%2C37-38H2%2C1-12H3%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2%2Fb14-13%2B%3B%3B, 12.9058828353882, 0.263600677251816, , , , , , , , 2.34200000762939, -0.398914724588394, 34.9698600769043, , , , 11.9960746765137, , , , , , , 
-InChI%3D1S%2FC21H24ClN3OS%2Fc22-16-6-7-20-18%2814-16%2925%2817-4-1-2-5-19%2817%2927-20%2911-3-10-24-12-8-15%289-13-24%2921%2823%2926%2Fh1-2%2C4-7%2C14-15H%2C3%2C8-13H2%2C%28H2%2C23%2C26%29, 12.1222276687622, 0.216440677642822, , , , , , , , 4.95897579193115, -0.348306238651276, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H25N3O2S2%2Fc1-14%2820%282%293%2913-22-16-8-6-7-9-18%2816%2925-19-11-10-15%2812-17%2819%2922%2926%2823%2C24%2921%284%295%2Fh6-12%2C14H%2C13H2%2C1-5H3, 12.9009237289429, 0.222041979432106, , , , , , , , 6.19018220901489, -0.341811686754227, 31.9730739593506, , , , 11.9933004379272, , , , , , , 
-InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3, 7.85450315475464, 0.216669589281082, , , , , , , , 4.61046981811523, -0.405012279748917, 15.9949159622192, , , , 11.6899995803833, , , , , , , 
-InChI%3D1S%2FC16H19ClO3%2Fc17-14-10-12%2815%2818%298-9-16%2819%2920%296-7-13%2814%2911-4-2-1-3-5-11%2Fh6-7%2C10-11H%2C1-5%2C8-9H2%2C%28H%2C19%2C20%29, 10.7708053588867, 0.259016811847687, , , , , , , , 3.80983400344849, -0.331727832555771, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC2H7NS%2Fc3-1-2-4%2Fh4H%2C1-3H2, 7.43032693862915, 0.0548876971006393, , , , , , , , 4.88887310028076, -0.329451888799667, 31.972677230835, , , , 11.9986572265625, , , , , , , 
-InChI%3D1S%2FC16H19BrN2%2Fc1-19%282%2912-10-15%2816-5-3-4-11-18-16%2913-6-8-14%2817%299-7-13%2Fh3-9%2C11%2C15H%2C10%2C12H2%2C1-2H3, 11.4253196716309, 0.127374097704887, , , , , , , , 5.82632398605347, -0.308939933776855, 78.9183349609375, , , , 11.9883317947388, , , , , , , 
-InChI%3D1S%2FC15H13NO3%2Fc17-14%2810-4-2-1-3-5-10%2913-7-6-12-11%2815%2818%2919%298-9-16%2812%2913%2Fh1-7%2C11H%2C8-9H2%2C%28H%2C18%2C19%29, 10.1115818023682, 0.283383220434189, , , , , , , , 4.33688592910767, -0.351109981536865, 15.9987087249756, , , , 11.9961862564087, , , , , , , 
-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, 12.1273164749146, 0.372302383184433, , , , , , , , -2.35684433391725e-06, -0.347110509872437, 22.9897708892822, , , , 11.9962186813354, , , , , , , 
-InChI%3D1S%2FC17H20N2S%2Fc1-18%282%2912-7-13-19-14-8-3-5-10-16%2814%2920-17-11-6-4-9-15%2817%2919%2Fh3-6%2C8-11H%2C7%2C12-13H2%2C1-2H3, 11.9087896347046, 0.209860250353813, , , , , , , , 5.7144021987915, -0.308928966522217, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H20N2O5S%2Fc1-9%2824-10-7-5-4-6-8-10%2913%2820%2918-11-14%2821%2919-12%2816%2822%2923%2917%282%2C3%2925-15%2811%2919%2Fh4-9%2C11-12%2C15H%2C1-3H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft9%3F%2C11%3F%2C12-%2C15%2B%2Fm0%2Fs1, 12.0744800567627, 0.278260171413422, , , , , , , , 4.77451229095459, -0.369035273790359, 31.9720726013184, , , , 11.9961700439453, , , , , , , 
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-InChI%3D1S%2FC18H22O3%2Fc1-5-16%2818%282%2C3%2917%2819%2920%2914-7-6-13-11-15%2821-4%299-8-12%2813%2910-14%2Fh6-11%2C16H%2C5H2%2C1-4H3%2C%28H%2C19%2C20%29, 11.3412942886353, 0.284587413072586, , , , , , , , 4.7095365524292, -0.373923391103745, 15.9987096786499, , , , 11.9961633682251, , , , , , , 
-InChI%3D1S%2FC17H32NO2.BrH%2Fc1-5-7-13%288-6-2%2917%2819%2920-16-11-14-9-10-15%2812-16%2918%2814%2C3%294%3B%2Fh13-16H%2C5-12H2%2C1-4H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft14-%2C15-%3B%2Fm1.%2Fs1, 10.418007850647, 0.264911264181137, , , , , , , , 3.49999475479126, -0.377606123685837, 78.9183349609375, , , , 11.9933195114136, , , , , , , 
-InChI%3D1S%2FC20H32O2%2Fc1-12-11-20%283%2913%2810-17%2812%2921%294-5-14-15-6-7-18%2822%2919%2815%2C2%299-8-16%2814%2920%2Fh12-16%2C18%2C22H%2C4-11H2%2C1-3H3%2Ft12-%2C13%2B%2C14%3F%2C15%2B%2C16%2B%2C18%2B%2C19%3F%2C20%2B%2Fm1%2Fs1, 12.5757446289062, 0.135927096009254, , , , , , , , 5.03621912002563, -0.392301380634308, 15.995924949646, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC9H10N2O3S2%2Fc1-2-14-6-3-4-7-8%285-6%2915-9%2811-7%2916%2810%2C12%2913%2Fh3-5H%2C2H2%2C1H3%2C%28H2%2C10%2C12%2C13%29, 12.7944812774658, 0.268174201250076, , , , , , , , 5.05431175231934, -0.370911836624146, 31.9734706878662, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC9H10N2O2%2Fc10-9%2813%2911-8%2812%296-7-4-2-1-3-5-7%2Fh1-5H%2C6H2%2C%28H3%2C10%2C11%2C12%2C13%29, 8.80924129486084, 0.259320229291916, , , , , , , , 4.47525215148926, -0.347960859537125, 15.9959211349487, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H20N4S%2Fc1-12-11-13-16%2821-9-7-20%282%298-10-21%2918-14-5-3-4-6-15%2814%2919-17%2813%2922-12%2Fh3-6%2C11%2C19H%2C7-10H2%2C1-2H3, 12.4794387817383, 0.241791665554047, , , , , , , , 5.9343957901001, -0.303507894277573, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC15H22N2O%2Fc1-11-7-6-8-12%282%2914%2811%2916-15%2818%2913-9-4-5-10-17%2813%293%2Fh6-8%2C13H%2C4-5%2C9-10H2%2C1-3H3%2C%28H%2C16%2C18%29, 10.070782661438, 0.176701217889786, , , , , , , , 5.94033050537109, -0.37019556760788, 15.9979457855225, , , , 11.9961862564087, , , , , , , 
-InChI%3D1S%2FC2H3Br3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2, 13.4464740753174, 0.274091899394989, , , , , , , , 5.65899848937988, -0.390837252140045, 78.9204025268555, , , , 11.9989070892334, , , , , , , 
-InChI%3D1S%2FC27H29NO11%2Fc1-10-22%2831%2913%2828%296-17%2838-10%2939-15-8-27%2836%2C16%2830%299-29%297-12-19%2815%2926%2835%2921-20%2824%2812%2933%2923%2832%2911-4-3-5-14%2837-2%2918%2811%2925%2821%2934%2Fh3-5%2C10%2C13%2C15%2C17%2C22%2C29%2C31%2C33%2C35-36H%2C6-9%2C28H2%2C1-2H3%2Ft10-%2C13-%2C15-%2C17-%2C22-%2C27-%2Fm0%2Fs1, 11.5591621398926, 0.235784903168678, , , , , , , , 4.45343732833862, -0.389404326677322, 16.0084438323975, , , , 11.9883556365967, , , , , , , 
-InChI%3D1S%2FC23H36O3%2Fc1-5-21%2825%2926-20-9-8-17-16-7-6-15-12-19%2824%2914%282%2913-23%2815%2C4%2918%2816%2910-11-22%2817%2C20%293%2Fh14-18%2C20H%2C5-13H2%2C1-4H3%2Ft14-%2C15%2B%2C16%3F%2C17%3F%2C18%2B%2C20%2B%2C22%2B%2C23%2B%2Fm1%2Fs1, 12.6126480102539, 0.26120725274086, , , , , , , , 4.47420024871826, -0.31205353140831, 15.9969320297241, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC22H28N.BrH%2Fc1-4-23%285-2%2917-16-21%2818%2823%293%2922%2819-12-8-6-9-13-19%2920-14-10-7-11-15-20%3B%2Fh6-15%2C18H%2C4-5%2C16-17H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, 12.8193216323853, 0.100859403610229, , , , , , , , 3.49999523162842, -0.3379847407341, 78.9183349609375, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC18H25NO%2Fc1-12-16-11-19%2810-13-3-4-13%298-7-18%2812%2C2%2917-9-14%2820%295-6-15%2816%2917%2Fh5-6%2C9%2C12-13%2C16%2C20H%2C3-4%2C7-8%2C10-11H2%2C1-2H3, 12.0846643447876, 0.101912051439285, , , , , , , , 5.18630027770996, -0.385731339454651, 15.9949197769165, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC16H12FN3O3%2Fc1-23-16%2822%2920-15-18-12-7-4-10%288-13%2812%2919-15%2914%2821%299-2-5-11%2817%296-3-9%2Fh2-8H%2C1H3%2C%28H2%2C18%2C19%2C20%2C22%29, 9.78169822692871, 0.300816506147385, , , , , , , , 4.03497314453125, -0.34501439332962, 18.9984073638916, , , , 11.9961776733398, , , , , , , 
-InChI%3D1S%2FC13H15N3O4S%2Fc1-19-7-8-20-11-9-14-13%2815-10-11%2916-21%2817%2C18%2912-5-3-2-4-6-12%2Fh2-6%2C9-10H%2C7-8H2%2C1H3%2C%28H%2C14%2C15%2C16%29, 11.3036680221558, 0.223408162593842, , , , , , , , 4.28598642349243, -0.381629586219788, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC16H19N3O4S%2Fc1-16%282%2911%2815%2822%2923%2919-13%2821%2910%2814%2819%2924-16%2918-12%2820%299%2817%298-6-4-3-5-7-8%2Fh3-7%2C9-11%2C14H%2C17H2%2C1-2H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft9-%2C10%3F%2C11%2B%2C14-%2Fm1%2Fs1, 12.0891695022583, 0.278249114751816, , , , , , , , 4.77818536758423, -0.370205283164978, 31.9720726013184, , , , 11.9961776733398, , , , , , , 
-InChI%3D1S%2FC10H16N5O13P3%2Fc11-8-5-9%2813-2-12-8%2915%283-14-5%2910-7%2817%296%2816%294%2826-10%291-25-30%2821%2C22%2928-31%2823%2C24%2927-29%2818%2C19%2920%2Fh2-4%2C6-7%2C10%2C16-17H%2C1H2%2C%28H%2C21%2C22%29%28H%2C23%2C24%29%28H2%2C11%2C12%2C13%29%28H2%2C18%2C19%2C20%29%2Ft4%3F%2C6-%2C7%3F%2C10-%2Fm1%2Fs1, 9.69903659820557, 0.470804780721664, , , , , , , , 2.01010870933533, -0.387776494026184, 30.9757671356201, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC13H26N2O4%2Fc1-4-6-8-15-12%2817%2919-10-13%283%2C7-5-2%299-18-11%2814%2916%2Fh4-10H2%2C1-3H3%2C%28H2%2C14%2C16%29%28H%2C15%2C17%29, 10.235743522644, 0.29504382610321, , , , , , , , 4.31887435913086, -0.34545373916626, 15.9992933273315, , , , 11.9962062835693, , , , , , , 
-InChI%3D1S%2FC10H13NO3%2Fc1-10%2811%2C9%2813%2914%296-7-2-4-8%2812%295-3-7%2Fh2-5%2C12H%2C6%2C11H2%2C1H3%2C%28H%2C13%2C14%29, 9.46355724334717, 0.29809096455574, , , , , , , , 4.39244079589844, -0.385748445987701, 15.9987058639526, , , , 11.9962491989136, , , , , , , 
-InChI%3D1S%2FC6H6N2O%2Fc7-6%289%295-2-1-3-8-4-5%2Fh1-4H%2C%28H2%2C7%2C9%29, 8.16060352325439, 0.214508131146431, , , , , , , , 4.80464792251587, -0.347949504852295, 15.9949169158936, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC11H13NO4%2Fc1-14-9-4-2-3-5-10%289%2915-7-8-6-12-11%2813%2916-8%2Fh2-5%2C8H%2C6-7H2%2C1H3%2C%28H%2C12%2C13%29, 8.5555591583252, 0.278848558664322, , , , , , , , 4.32930517196655, -0.37150052189827, 15.998969078064, , , , 11.9967241287231, , , , , , , 
-InChI%3D1S%2FC24H32O4%2Fc1-5-24%2828-16%283%2926%2913-11-22-21-8-6-17-14-18%2827-15%282%2925%297-9-19%2817%2920%2821%2910-12-23%2822%2C24%294%2Fh1%2C14%2C18-22H%2C6-13H2%2C2-4H3%2Ft18-%2C19%3F%2C20%2B%2C21%3F%2C22-%2C23%3F%2C24-%2Fm0%2Fs1, 12.5557479858398, 0.303019285202026, , , , , , , , 4.03406810760498, -0.308486551046371, 15.9979391098022, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC13H14N2O3%2Fc1-3-13%289-7-5-4-6-8-9%2910%2816%2914-12%2818%2915%282%2911%2813%2917%2Fh4-8H%2C3H2%2C1-2H3%2C%28H%2C14%2C16%2C18%29, 12.2073173522949, 0.330589532852173, , , , , , , , 4.69533348083496, -0.347138732671738, 15.9969272613525, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC14H20Br2N2%2Fc1-18%2812-5-3-2-4-6-12%299-10-7-11%2815%298-13%2816%2914%2810%2917%2Fh7-8%2C12H%2C2-6%2C9%2C17H2%2C1H3, 11.4106349945068, 0.203746452927589, , , , , , , , 6.97858285903931, -0.321266144514084, 78.9193344116211, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC11H13N3O3S%2Fc1-7-8%282%2917-11%2813-7%2914-18%2815%2C16%2910-5-3-9%2812%294-6-10%2Fh3-6H%2C12H2%2C1-2H3%2C%28H%2C13%2C14%29, 11.3254127502441, 0.312898099422455, , , , , , , , 5.62401533126831, -0.328971982002258, 31.9720726013184, , , , 11.9884147644043, , , , , , , 
-InChI%3D1S%2FC17H19NO3%2Fc1-18-7-6-17-10-3-5-13%2820%2916%2817%2921-15-12%2819%294-2-9%2814%2815%2917%298-11%2810%2918%2Fh2-5%2C10-11%2C13%2C16%2C19-20H%2C6-8H2%2C1H3%2Ft10-%2C11%2B%2C13%3F%2C16-%2C17-%2Fm0%2Fs1, 12.9813194274902, 0.245514020323753, , , , , , , , 5.45865106582642, -0.386094808578491, 15.9969291687012, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC5H11Cl2NO.ClH%2Fc1-8%289%2C4-2-6%295-3-7%3B%2Fh2-5H2%2C1H3%3B1H, 8.7190055847168, 0.110615894198418, , , , , , , , 2.7299976348877, -0.279233247041702, 34.9710578918457, , , , 11.9985771179199, , , , , , , 
-InChI%3D1S%2FC29H40N2O4%2Fc1-6-18-17-31-10-8-20-14-27%2833-3%2929%2835-5%2916-23%2820%2925%2831%2912-21%2818%2911-24-22-15-28%2834-4%2926%2832-2%2913-19%2822%297-9-30-24%2Fh13-16%2C18%2C21%2C24-25%2C30H%2C6-12%2C17H2%2C1-5H3%2Ft18-%2C21%3F%2C24%2B%2C25-%2Fm0%2Fs1, 11.6939258575439, 0.151119709014893, , , , , , , , 5.01540088653564, -0.371959358453751, 15.9979476928711, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H17NO5%2Fc1-23-15-9-7-12%2811-16%2815%2924-2%298-10-17%2820%2919-14-6-4-3-5-13%2814%2918%2821%2922%2Fh3-11H%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C21%2C22%29, 9.49930477142334, 0.269193172454834, , , , , , , , 4.34595918655396, -0.398798912763596, 16.0000038146973, , , , 11.9961633682251, , , , , , , 
-InChI%3D1S%2FC13H18Cl2N2O2%2Fc14-5-7-17%288-6-15%2911-3-1-10%282-4-11%299-12%2816%2913%2818%2919%2Fh1-4%2C12H%2C5-9%2C16H2%2C%28H%2C18%2C19%29%2Ft12-%2Fm0%2Fs1, 10.3184604644775, 0.295294731855392, , , , , , , , 4.10146331787109, -0.349721014499664, 34.9698524475098, , , , 11.9962062835693, , , , , , , 
-InChI%3D1S%2FC24H40O4%2Fc1-14%284-7-21%2827%2928%2917-5-6-18-22-19%289-11-24%2817%2C18%293%2923%282%2910-8-16%2825%2912-15%2823%2913-20%2822%2926%2Fh14-20%2C22%2C25-26H%2C4-13H2%2C1-3H3%2C%28H%2C27%2C28%29%2Ft14-%2C15%2B%2C16-%2C17-%2C18%2B%2C19%2B%2C20%2B%2C22%3F%2C23%3F%2C24%3F%2Fm1%2Fs1, 12.6307306289673, 0.258962333202362, , , , , , , , 3.91048645973206, -0.393323361873627, 15.9979391098022, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC23H36O7%2Fc1-4-13%282%2923%2829%2930-20-11-17%2825%299-15-6-5-14%283%2919%2822%2815%2920%298-7-16%2824%2910-18%2826%2912-21%2827%2928%2Fh5-6%2C9%2C13-14%2C16-20%2C22%2C24-26H%2C4%2C7-8%2C10-12H2%2C1-3H3%2C%28H%2C27%2C28%29%2Ft13-%2C14-%2C16%2B%2C17%2B%2C18%2B%2C19-%2C20%3F%2C22-%2Fm0%2Fs1, 12.1152458190918, 0.265027970075607, , , , , , , , 3.81116676330566, -0.393159925937653, 16.000955581665, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC9H19NO4%2Fc1-9%282%2C6-12%297%2813%298%2814%2910-4-3-5-11%2Fh7%2C11-13H%2C3-6H2%2C1-2H3%2C%28H%2C10%2C14%29, 9.42768669128418, 0.165340647101402, , , , , , , , 3.94936728477478, -0.420729488134384, 15.99928855896, , , , 11.9962682723999, , , , , , , 
-InChI%3D1S%2FC29H33FO8%2Fc1-16-12-21-20-8-7-18-13-19%2832%299-10-26%2818%2C3%2928%2820%2C30%2923%2833%2914-27%2821%2C4%2929%2816%2C24%2834%2915-37-17%282%2931%2938-25%2835%2922-6-5-11-36-22%2Fh5-6%2C9-11%2C13%2C16%2C20-21%2C23%2C33H%2C7-8%2C12%2C14-15H2%2C1-4H3%2Ft16-%2C20%2B%2C21%2B%2C23%2B%2C26%2B%2C27%2B%2C28%2B%2C29%2B%2Fm1%2Fs1, 13.6227445602417, 0.298656940460205, , , , , , , , 3.92989635467529, -0.389586418867111, 18.9984092712402, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC16H19N3O5S%2Fc1-16%282%2911%2815%2823%2924%2919-13%2822%2910%2814%2819%2925-16%2918-12%2821%299%2817%297-3-5-8%2820%296-4-7%2Fh3-6%2C9-11%2C14%2C20H%2C17H2%2C1-2H3%2C%28H%2C18%2C21%29%28H%2C23%2C24%29%2Ft9-%2C10-%2C11%3F%2C14%3F%2Fm1%2Fs1, 12.0896291732788, 0.278254985809326, , , , , , , , 4.77826023101807, -0.385813176631927, 31.9720726013184, , , , 11.9961776733398, , , , , , , 
-InChI%3D1S%2FC21H26ClN3OS%2Fc22-17-6-7-21-19%2816-17%2925%2818-4-1-2-5-20%2818%2927-21%299-3-8-23-10-12-24%2813-11-23%2914-15-26%2Fh1-2%2C4-7%2C16%2C26H%2C3%2C8-15H2, 12.121452331543, 0.1049590036273, , , , , , , , 4.12773752212524, -0.394489943981171, 34.9688529968262, , , , 11.9942903518677, , , , , , , 
-InChI%3D1S%2FC15H12I3NO4%2Fc16-9-6-8%281-2-13%289%2920%2923-14-10%2817%293-7%284-11%2814%2918%295-12%2819%2915%2821%2922%2Fh1-4%2C6%2C12%2C20H%2C5%2C19H2%2C%28H%2C21%2C22%29%2Ft12-%2Fm0%2Fs1, 14.8416767120361, 0.295325726270676, , , , , , , , 4.26199340820312, -0.384647190570831, 126.906471252441, , , , 11.9961862564087, , , , , , , 
-InChI%3D1S%2FC8H11NO3%2Fc9-4-8%2812%295-1-2-6%2810%297%2811%293-5%2Fh1-3%2C8%2C10-12H%2C4%2C9H2%2Ft8-%2Fm0%2Fs1, 8.83541011810303, 0.162729933857918, , , , , , , , 4.86142015457153, -0.390820056200027, 15.996922492981, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC10H16Br2N2O2%2Fc11-3-1-9%2815%2913-5-7-14%288-6-13%2910%2816%292-4-12%2Fh1-8H2, 9.24649620056152, 0.205229565501213, , , , , , , , 5.16617965698242, -0.281264513731003, 78.91943359375, , , , 11.9988403320312, , , , , , , 
-InChI%3D1S%2FC47H51NO14%2Fc1-25-31%2860-43%2856%2936%2852%2935%2828-16-10-7-11-17-28%2948-41%2854%2929-18-12-8-13-19-29%2923-47%2857%2940%2861-42%2855%2930-20-14-9-15-21-30%2938-45%286%2C32%2851%2922-33-46%2838%2C24-58-33%2962-27%283%2950%2939%2853%2937%2859-26%282%2949%2934%2825%2944%2847%2C4%295%2Fh7-21%2C31-33%2C35-38%2C40%2C51-52%2C57H%2C22-24H2%2C1-6H3%2C%28H%2C48%2C54%29%2Ft31-%2C32-%2C33%2B%2C35-%2C36%2B%2C37%2B%2C38-%2C40-%2C45%3F%2C46%3F%2C47%2B%2Fm0%2Fs1, 14.2659692764282, 0.293353676795959, , , , , , , , 4.44807195663452, -0.392042458057404, 16.0080871582031, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC12H18O%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9%2C13H%2C1-4H3, 9.62339115142822, 0.132024422287941, , , , , , , , 5.84809732437134, -0.408472508192062, 15.9979438781738, , , , 11.9962186813354, , , , , , , 
-InChI%3D1S%2FC28H27NO4S%2Fc30-21-8-4-20%285-9-21%2928-26%2824-13-10-22%2831%2918-25%2824%2934-28%2927%2832%2919-6-11-23%2812-7-19%2933-17-16-29-14-2-1-3-15-29%2Fh4-13%2C18%2C30-31H%2C1-3%2C14-17H2, 13.4594974517822, 0.170536413788795, , , , , , , , 4.91739082336426, -0.386945307254791, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC11H10I2N2O4.Na%2Fc1-4%2816%2914-6-3-7%2815-5%282%2917%2910%2813%298%289%286%2912%2911%2818%2919%3B%2Fh3H%2C1-2H3%2C%28H%2C14%2C16%29%28H%2C15%2C17%29%28H%2C18%2C19%29%3B%2Fq%3B%2B1%2Fp-1, 15.0802001953125, 0.284279525279999, , , , , , , , -2.27915461437078e-06, -0.348571687936783, 126.905471801758, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC33H40N2O9%2Fc1-38-19-7-8-20-21-9-10-35-16-18-13-27%2844-32%2836%2917-11-25%2839-2%2930%2841-4%2926%2812-17%2940-3%2931%2842-5%2928%2833%2837%2943-6%2922%2818%2915-24%2835%2929%2821%2934-23%2820%2914-19%2Fh7-8%2C11-12%2C14%2C18%2C22%2C24%2C27-28%2C31%2C34H%2C9-10%2C13%2C15-16H2%2C1-6H3%2Ft18%3F%2C22%3F%2C24-%2C27%3F%2C28%2B%2C31%2B%2Fm1%2Fs1, 11.6698369979858, 0.270629167556763, , , , , , , , 4.85477447509766, -0.377639710903168, 16.0029983520508, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC6H7NO%2Fc8-5-6-2-1-3-7-4-6%2Fh1-4%2C8H%2C5H2, 7.59339046478271, 0.18903312087059, , , , , , , , 4.23190307617188, -0.395069867372513, 15.9949169158936, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC20H21N7O6S2%2Fc21-6-11-4-2-1-3-10%2811%295-13%2828%2922-15-17%2831%2927-16%2819%2832%2933%2912%288-34-18%2815%2927%299-35-20-23-24-25-26%2820%297-14%2829%2930%2Fh1-4%2C15%2C18H%2C5-9%2C21H2%2C%28H%2C22%2C28%29%28H%2C29%2C30%29%28H%2C32%2C33%29%2Ft15%3F%2C18-%2Fm1%2Fs1, 12.3552484512329, 0.302324384450912, , , , , , , , 4.01701545715332, -0.372112989425659, 31.9730739593506, , , , 11.996150970459, , , , , , , 
-InChI%3D1S%2FC22H26N2O2%2Fc1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17%2815%2924%2819%2816%2920%2822%2923%2918%2814-22%2921%2825%2926-4-2%2Fh5-6%2C8-9%2C14%2C20H%2C3-4%2C7%2C10-13H2%2C1-2H3%2Ft20-%2C22%3F%2Fm1%2Fs1, 12.8751249313354, 0.304087221622467, , , , , , , , 5.06855440139771, -0.324609667062759, 15.9959278106689, , , , 11.9942846298218, , , , , , , 
-InChI%3D1S%2FC7H7NO2%2Fc8-7%2810%295-3-1-2-4-6%285%299%2Fh1-4%2C9H%2C%28H2%2C8%2C10%29, 8.54413032531738, 0.143240392208099, , , , , , , , 4.90514421463013, -0.408113777637482, 15.9982604980469, , , , 11.996319770813, , , , , , , 
-InChI%3D1S%2FC9H11N%2Fc10-9-6-8%289%297-4-2-1-3-5-7%2Fh1-5%2C8-9H%2C6%2C10H2%2Ft8%3F%2C9-%2Fm1%2Fs1, 8.85450458526611, 0.130790412425995, , , , , , , , 5.36154222488403, -0.326985090970993, 14.0030784606934, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC21H25NO3%2Fc1-12-6-7-21%2824%2916-10-14-4-5-15%2823%2918-17%2814%2920%2821%2C19%2812%2925-18%298-9-22%2816%2911-13-2-3-13%2Fh4-5%2C13%2C16%2C19%2C23-24H%2C1-3%2C6-11H2%2Ft16-%2C19%2B%2C20%2B%2C21-%2Fm1%2Fs1, 13.564414024353, 0.14144141972065, , , , , , , , 5.5112829208374, -0.387224733829498, 15.9969320297241, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC26H27ClN2O%2Fc1-28%2819-26%2830%2922-13-15-23%2827%2916-14-22%2917-6-18-29-24-9-4-2-7-20%2824%2911-12-21-8-3-5-10-25%2821%2929%2Fh2-5%2C7-10%2C13-16H%2C6%2C11-12%2C17-19H2%2C1H3, 11.685004234314, 0.178949162364006, , , , , , , , 5.27222728729248, -0.299428403377533, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC9H6I3NO3%2Fc1-3%2814%2913-8-5%2811%292-4%2810%296%287%288%2912%299%2815%2916%2Fh2H%2C1H3%2C%28H%2C13%2C14%29%28H%2C15%2C16%29, 16.1845054626465, 0.269172430038452, , , , , , , , 5.49330615997314, -0.372452706098557, 126.906471252441, , , , 11.9962682723999, , , , , , , 
-InChI%3D1S%2FC25H34O6%2Fc1-4-5-21-30-20-11-17-16-7-6-14-10-15%2827%298-9-23%2814%2C2%2922%2816%2918%2828%2912-24%2817%2C3%2925%2820%2C31-21%2919%2829%2913-26%2Fh8-10%2C16-18%2C20-22%2C26%2C28H%2C4-7%2C11-13H2%2C1-3H3%2Ft16-%2C17%3F%2C18-%2C20%2B%2C21%3F%2C22%3F%2C23-%2C24-%2C25%3F%2Fm0%2Fs1, 13.1201887130737, 0.193171486258507, , , , , , , , 4.68538618087769, -0.411721467971802, 16.0008106231689, , , , 11.9961290359497, , , , , , , 
-InChI%3D1S%2FC22H29FO5%2Fc1-11-6-14-13-8-16%2823%2915-7-12%2825%294-5-20%2815%2C2%2919%2813%2917%2826%299-21%2814%2C3%2922%2811%2C28%2918%2827%2910-24%2Fh4-5%2C7%2C11%2C13-14%2C16-17%2C19%2C24%2C26%2C28H%2C6%2C8-10H2%2C1-3H3%2Ft11-%2C13%3F%2C14%2B%2C16%2B%2C17%2B%2C19-%2C20%2B%2C21%2B%2C22%2B%2Fm1%2Fs1, 12.8213758468628, 0.190319627523422, , , , , , , , 4.61611175537109, -0.392762422561646, 18.9984073638916, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC19H20FNO3%2Fc20-15-4-2-14%283-5-15%2916-7-8-21-10-19%2816%2922-11-13-1-6-17-18%289-13%2924-12-23-17%2Fh1-6%2C9%2C16%2C19%2C21H%2C7-8%2C10-12H2%2Ft16%3F%2C19-%2Fm1%2Fs1, 10.6243619918823, 0.161568120121956, , , , , , , , 4.06970739364624, -0.375321924686432, 18.9984073638916, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC16H15ClN2OS%2Fc1-3-10-8-12-15%2811-6-4-5-7-13%2811%2917%2918-9-14%2820%2919%282%2916%2812%2921-10%2Fh4-8H%2C3%2C9H2%2C1-2H3, 12.7876195907593, 0.225286394357681, , , , , , , , 5.34151315689087, -0.282972127199173, 34.9693794250488, , , , 11.998514175415, , , , , , , 
-InChI%3D1S%2FC10H14ClN%2Fc1-10%282%2C12%297-8-5-3-4-6-9%288%2911%2Fh3-6H%2C7%2C12H2%2C1-2H3, 10.0088834762573, 0.10633684694767, , , , , , , , 6.30199289321899, -0.358116626739502, 34.9688529968262, , , , 11.9934272766113, , , , , , , 
-InChI%3D1S%2FC17H21N%2Fc1-15%2813-16-9-5-3-6-10-16%2918%282%2914-17-11-7-4-8-12-17%2Fh3-12%2C15H%2C13-14H2%2C1-2H3, 9.84165668487549, 0.129022389650345, , , , , , , , 6.61103439331055, -0.302643328905106, 14.0030822753906, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC11H14ClN5%2Fc1-11%282%2916-9%2813%2915-10%2814%2917%2811%298-5-3-7%2812%294-6-8%2Fh3-6H%2C1-2H3%2C%28H4%2C13%2C14%2C15%2C16%29, 11.2771339416504, 0.15691277384758, , , , , , , , 5.69089365005493, -0.279402226209641, 34.9688529968262, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC18H23N5O5%2Fc1-21-16-15%2817%2827%2922%282%2918%2821%2928%2923%2810-20-16%295-3-4-19-9-14%2826%2911-6-12%2824%298-13%2825%297-11%2Fh6-8%2C10%2C14%2C19%2C24-26H%2C3-5%2C9H2%2C1-2H3, 9.80210304260254, 0.313709050416946, , , , , , , , 4.92980813980103, -0.390925049781799, 15.9989500045776, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC15H14O6%2Fc16-8-4-11%2818%299-6-13%2820%2915%2821-14%289%295-8%297-1-2-10%2817%2912%2819%293-7%2Fh1-5%2C13%2C15-20H%2C6H2%2Ft13%3F%2C15-%2Fm1%2Fs1, 9.94020366668701, 0.224087715148926, , , , , , , , 4.91799926757812, -0.390265882015228, 15.9999370574951, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H14O4S%2Fc1-22%2819%2C20%2914-9-7-12%288-10-14%2915-11-21-17%2818%2916%2815%2913-5-3-2-4-6-13%2Fh2-10H%2C11H2%2C1H3, 11.1319313049316, 0.290215462446213, , , , , , , , 4.93635511398315, -0.307629466056824, 31.972677230835, , , , 11.998438835144, , , , , , , 
-InChI%3D1S%2FC9H10O2%2Fc1-2-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6%2C10H%2C2H2%2C1H3, 8.68352603912354, 0.169627264142036, , , , , , , , 4.74174165725708, -0.385998517274857, 15.9959192276001, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC24H30N2O2%2Fc1-2-26-19-22%2813-14-25-15-17-28-18-16-25%2924%2823%2826%2927%2C20-9-5-3-6-10-20%2921-11-7-4-8-12-21%2Fh3-12%2C22H%2C2%2C13-19H2%2C1H3, 14.3656301498413, 0.28819465637207, , , , , , , , 5.72548961639404, -0.378125071525574, 16.006031036377, , , , 11.9883785247803, , , , , , , 
-InChI%3D1S%2FC14H12O3S%2Fc1-9%2814%2816%2917%2911-7-8-12%2818-11%2913%2815%2910-5-3-2-4-6-10%2Fh2-9H%2C1H3%2C%28H%2C16%2C17%29, 11.5188856124878, 0.26288053393364, , , , , , , , 4.49013614654541, -0.331478893756866, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC27H37FO6%2Fc1-5-6-7-23%2833%2934-27%2822%2832%2915-29%2916%282%2912-20-19-9-8-17-13-18%2830%2910-11-24%2817%2C3%2926%2819%2C28%2921%2831%2914-25%2820%2C27%294%2Fh10-11%2C13%2C16%2C19-21%2C29%2C31H%2C5-9%2C12%2C14-15H2%2C1-4H3%2Ft16-%2C19-%2C20%3F%2C21-%2C24-%2C25-%2C26%3F%2C27-%2Fm0%2Fs1, 13.4622116088867, 0.262250542640686, , , , , , , , 4.77319669723511, -0.411721736192703, 18.9984092712402, , , , 11.9961223602295, , , , , , , 
-InChI%3D1S%2FC23H33N2O2%2Fc1-4-10-25-17-11-14%2813%285-2%2922%2825%2927%2919-18%2825%2912-23%2821%2819%2926%2915-8-6-7-9-16%2815%2924%283%2920%2817%2923%2Fh6-9%2C13-14%2C17-22%2C26-27H%2C4-5%2C10-12H2%2C1-3H3%2Fq%2B1%2Ft13-%2C14-%2C17-%2C18-%2C19%3F%2C20-%2C21%2B%2C22%2B%2C23%3F%2C25%3F%2Fm0%2Fs1, 13.8388566970825, 0.125190436840057, , , , , , , , 5.94413900375366, -0.402734458446503, 15.9982671737671, , , , 11.9961366653442, , , , , , , 
-InChI%3D1S%2FC41H64O13%2Fc1-20-36%2846%2929%2842%2916-34%2849-20%2953-38-22%283%2951-35%2818-31%2838%2944%2954-37-21%282%2950-33%2817-30%2837%2943%2952-25-8-11-39%284%2924%2815-25%296-7-28-27%2839%299-12-40%285%2926%2810-13-41%2828%2C40%2947%2923-14-32%2845%2948-19-23%2Fh14%2C20-22%2C24-31%2C33-38%2C42-44%2C46-47H%2C6-13%2C15-19H2%2C1-5H3%2Ft20-%2C21-%2C22-%2C24-%2C25%2B%2C26-%2C27%2B%2C28%3F%2C29%2B%2C30%2B%2C31%2B%2C33%2B%2C34%2B%2C35%2B%2C36-%2C37-%2C38-%2C39%2B%2C40-%2C41%3F%2Fm1%2Fs1, 12.8371696472168, 0.286507904529572, , , , , , , , 4.25293827056885, -0.390561312437057, 16.0073356628418, , , , 11.9966020584106, , , , , , , 
-InChI%3D1S%2FC22H22N6O7S2%2Fc1-22%282%2C20%2833%2934%2935-26-13%2812-10-37-21%2823%2924-12%2916%2829%2925-14-17%2830%2928-15%2819%2831%2932%2911%289-36-18%2814%2928%298-27-6-4-3-5-7-27%2Fh3-7%2C10%2C14%2C18H%2C8-9H2%2C1-2H3%2C%28H4-%2C23%2C24%2C25%2C29%2C31%2C32%2C33%2C34%29%2Ft14%3F%2C18-%2Fm1%2Fs1, 12.0285015106201, 0.389147192239761, , , , , , , , 4.14791584014893, -0.365505635738373, 31.9730739593506, , , , 11.9961414337158, , , , , , , 
-InChI%3D1S%2FC29H36O4%2Fc1-18%2830%2929-25%2832-28%284%2C33-29%2919-8-6-5-7-9-19%2917-24-22-11-10-20-16-21%2831%2912-14-26%2820%2C2%2923%2822%2913-15-27%2824%2C29%293%2Fh5-9%2C16%2C22-25H%2C10-15%2C17H2%2C1-4H3%2Ft22%3F%2C23-%2C24-%2C25%2B%2C26%3F%2C27-%2C28%2B%2C29%3F%2Fm0%2Fs1, 13.2098360061646, 0.175268143415451, , , , , , , , 4.81695032119751, -0.342703491449356, 15.9979438781738, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H19Cl2NO4%2Fc1-5-25-18%2823%2914-10%283%2921-9%282%2913%2817%2822%2924-4%2915%2814%2911-7-6-8-12%2819%2916%2811%2920%2Fh6-8%2C15%2C21H%2C5H2%2C1-4H3, 13.4505376815796, 0.292056024074554, , , , , , , , 5.05445623397827, -0.315673381090164, 34.969856262207, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC6H8ClNS%2Fc1-5-6%282-3-7%299-4-8-5%2Fh4H%2C2-3H2%2C1H3, 10.6812534332275, 0.0985565856099129, , , , , , , , 5.65777158737183, -0.218475818634033, 34.9693794250488, , , , 11.9985628128052, , , , , , , 
-InChI%3D1S%2FC7H15NO3%2Fc1-8%282%2C3%295-6%289%294-7%2810%2911%2Fh6%2C9H%2C4-5H2%2C1-3H3, 8.92818450927734, 0.358134269714355, , , , , , , , 3.72472143173218, -0.390719950199127, 15.9969215393066, , , , 11.9935121536255, , , , , , , 
-InChI%3D1S%2FC15H26N2%2Fc1-3-7-16-11-13-9-12%2814%2816%295-1%2910-17-8-4-2-6-15%2813%2917%2Fh12-15H%2C1-11H2%2Ft12%3F%2C13%3F%2C14-%2C15%2B, 10.4560213088989, 0.056991558521986, , , , , , , , 7.39705467224121, -0.299770027399063, 14.0040893554688, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC6H14O6%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-12H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6-%2Fm1%2Fs1, 7.93495035171509, 0.11312997341156, , , , , , , , 4.13488912582397, -0.417780935764313, 16.0007839202881, , , , 11.9963550567627, , , , , , , 
-InChI%3D1S%2FC20H21NO4%2Fc1-22-17-4-3-12-7-16-14-9-19-18%2824-11-25-19%298-13%2814%295-6-21%2816%2910-15%2812%2920%2817%2923-2%2Fh3-4%2C8-9%2C16H%2C5-7%2C10-11H2%2C1-2H3, 11.2211008071899, 0.166028887033463, , , , , , , , 5.01349544525146, -0.371796548366547, 15.9979372024536, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC23H29N3O2S2%2Fc1-24%282%2930%2827%2C28%2918-10-11-23-21%2817-18%2919%2820-7-4-5-9-22%2820%2929-23%298-6-12-26-15-13-25%283%2914-16-26%2Fh4-5%2C7-11%2C17H%2C6%2C12-16H2%2C1-3H3, 13.1506423950195, 0.222020283341408, , , , , , , , 5.83146524429321, -0.33254274725914, 31.9730739593506, , , , 11.9942779541016, , , , , , , 
-InChI%3D1S%2FC20H24N2O6%2Fc1-11%282%2910-28-20%2824%2917-13%284%2921-12%283%2916%2819%2823%2927-5%2918%2817%2914-8-6-7-9-15%2814%2922%2825%2926%2Fh6-9%2C11%2C18%2C21H%2C10H2%2C1-5H3, 13.0713815689087, 0.292086482048035, , , , , , , , 4.08699607849121, -0.315644949674606, 15.9999513626099, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC9H11NO2%2Fc10-8%289%2811%2912%296-7-4-2-1-3-5-7%2Fh1-5%2C8H%2C6%2C10H2%2C%28H%2C11%2C12%29, 8.81557083129883, 0.295261085033417, , , , , , , , 4.07439279556274, -0.349699825048447, 15.9982604980469, , , , 11.9962692260742, , , , , , , 
-InChI%3D1S%2FC16H12N4O9S2.3Na%2Fc21-15-13%2818-17-9-1-5-11%286-2-9%2930%2824%2C25%2926%2914%2816%2822%2923%2919-20%2815%2910-3-7-12%288-4-10%2931%2827%2C28%2929%3B%3B%3B%2Fh1-8%2C19H%2C%28H%2C22%2C23%29%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%3B%3B%3B%2Fq%3B3%2A%2B1%2Fp-3%2Fb18-17%2B%3B%3B%3B, 10.5765571594238, 0.395343601703644, , , , , , , , -0.00100000004749745, -0.276606172323227, 31.9730739593506, , , , 11.9961776733398, , , , , , , 
-InChI%3D1S%2FC23H45N5O14%2Fc24-2-7-13%2832%2915%2834%2910%2827%2921%2837-7%2941-19-9%284-30%2939-23%2817%2819%2936%2942-20-12%2831%295%2825%291-6%2826%2918%2820%2940-22-11%2828%2916%2835%2914%2833%298%283-29%2938-22%2Fh5-23%2C29-36H%2C1-4%2C24-28H2%2Ft5-%2C6%2B%2C7%2B%2C8-%2C9-%2C10%3F%2C11-%2C12%2B%2C13-%2C14-%2C15-%2C16-%2C17-%2C18-%2C19%3F%2C20%3F%2C21-%2C22%3F%2C23%2B%2Fm1%2Fs1, 10.557089805603, 0.188291624188423, , , , , , , , 4.39426183700562, -0.393978923559189, 16.0080318450928, , , , 11.9932699203491, , , , , , , 
-InChI%3D1S%2FC6H12O6%2Fc7-1-3-4%289%295%2810%296%2811%2C2-8%2912-3%2Fh3-5%2C7-11H%2C1-2H2%2Ft3%3F%2C4-%2C5%2B%2C6-%2Fm1%2Fs1, 8.09332656860352, 0.219584375619888, , , , , , , , 4.23315477371216, -0.410083413124084, 16.0007839202881, , , , 11.9963550567627, , , , , , , 
-InChI%3D1S%2FC18H20N2S%2Fc1-19-11-10-14%2812-19%2913-20-15-6-2-4-8-17%2815%2921-18-9-5-3-7-16%2818%2920%2Fh2-9%2C14H%2C10-13H2%2C1H3, 12.0096893310547, 0.209876999258995, , , , , , , , 5.93302011489868, -0.305634021759033, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC4H7NO4%2Fc5-2%284%288%299%291-3%286%297%2Fh2H%2C1%2C5H2%2C%28H%2C6%2C7%29%28H%2C8%2C9%29%2Ft2-%2Fm0%2Fs1, 7.44012975692749, 0.295776307582855, , , , , , , , 3.75032997131348, -0.349702835083008, 15.9992837905884, , , , 11.9964609146118, , , , , , , 
-InChI%3D1S%2FC16H23NO%2Fc1-13-6-8-15%289-7-13%2916%2818%2914%282%2912-17-10-4-3-5-11-17%2Fh6-9%2C14H%2C3-5%2C10-12H2%2C1-2H3, 9.69334411621094, 0.144518986344337, , , , , , , , 5.48649120330811, -0.332649141550064, 15.9949188232422, , , , 11.9943332672119, , , , , , , 
-InChI%3D1S%2FC20H32O%2Fc1-3-20%2821%2913-11-18-17-9-8-14-6-4-5-7-15%2814%2916%2817%2910-12-19%2818%2C20%292%2Fh6%2C15-18%2C21H%2C3-5%2C7-13H2%2C1-2H3%2Ft15-%2C16%2B%2C17%3F%2C18-%2C19-%2C20-%2Fm0%2Fs1, 12.1641798019409, 0.0855045989155769, , , , , , , , 6.10960149765015, -0.388745337724686, 15.9949197769165, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC17H18FN3O3%2Fc18-13-7-11-14%288-15%2813%2920-5-3-19-4-6-20%2921%2810-1-2-10%299-12%2816%2811%2922%2917%2823%2924%2Fh7-10%2C19H%2C1-6H2%2C%28H%2C23%2C24%29, 10.9567174911499, 0.270494043827057, , , , , , , , 4.423903465271, -0.331222176551819, 18.9984073638916, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC43H74N2O14%2Fc1-24-21-29%2819-20-46%2939%2859-42-37%2849%2936%2845%289%2910%2938%2827%284%2956-42%2958-35-23-43%286%2C51%2941%2850%2928%285%2955-35%2940%2852-11%2931%2847%2922-33%2848%2953-25%282%2915-13-12-14-16-32%2824%2957-34-18-17-30%2844%287%298%2926%283%2954-34%2Fh12-14%2C16%2C20%2C24-32%2C34-42%2C47%2C49-51H%2C15%2C17-19%2C21-23H2%2C1-11H3%2Fb13-12-%2C16-14-%2Ft24%3F%2C25-%2C26-%2C27-%2C28%2B%2C29%3F%2C30%2B%2C31-%2C32%2B%2C34-%2C35%2B%2C36-%2C37-%2C38-%2C39%2B%2C40%2B%2C41%2B%2C42%3F%2C43-%2Fm1%2Fs1, 11.7814455032349, 0.264359384775162, , , , , , , , 4.0400218963623, -0.390112996101379, 16.0083484649658, , , , 11.9965991973877, , , , , , , 
-InChI%3D1S%2FC45H76N2O15%2Fc1-25-22-31%2820-21-48%2941%2862-44-39%2851%2938%2847%2810%2911%2940%2828%284%2958-44%2961-37-24-45%287%2C53%2943%2852%2929%285%2957-37%2942%2854-12%2934%2859-30%286%2949%2923-35%2850%2955-26%282%2916-14-13-15-17-33%2825%2960-36-19-18-32%2846%288%299%2927%283%2956-36%2Fh13-15%2C17%2C21%2C25-29%2C31-34%2C36-44%2C51-53H%2C16%2C18-20%2C22-24H2%2C1-12H3%2Fb14-13-%2C17-15-%2Ft25%3F%2C26-%2C27-%2C28-%2C29%2B%2C31%3F%2C32%2B%2C33%2B%2C34-%2C36-%2C37%2B%2C38-%2C39-%2C40-%2C41%2B%2C42%2B%2C43%2B%2C44%3F%2C45-%2Fm1%2Fs1, 12.0373477935791, 0.26468899846077, , , , , , , , 4.05600929260254, -0.388061225414276, 16.009349822998, , , , 11.9965972900391, , , , , , , 
-InChI%3D1S%2FC17H25N%2Fc1-4-10-16%2811-5-1%2917%2812-6-2-7-13-17%2918-14-8-3-9-15-18%2Fh1%2C4-5%2C10-11H%2C2-3%2C6-9%2C12-15H2, 12.7708168029785, 0.139918923377991, , , , , , , , 6.838210105896, -0.296175628900528, 14.0030822753906, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC13H9F3N2O2%2Fc14-13%2815%2C16%298-3-1-4-9%287-8%2918-11-10%2812%2819%2920%295-2-6-17-11%2Fh1-7H%2C%28H%2C17%2C18%29%28H%2C19%2C20%29, 9.47492408752441, 0.4168960750103, , , , , , , , 3.59640121459961, -0.331052988767624, 19.001256942749, , , , 11.9974155426025, , , , , , , 
-InChI%3D1S%2FC8H13NO2%2Fc1-9-5-3-4-7%286-9%298%2810%2911-2%2Fh4H%2C3%2C5-6H2%2C1-2H3, 8.81182956695557, 0.289892703294754, , , , , , , , 4.54083251953125, -0.31545153260231, 15.9959192276001, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC10H15NO%2Fc1-8%2811-2%2910%2812%299-6-4-3-5-7-9%2Fh3-8%2C10-12H%2C1-2H3%2Ft8-%2C10-%2Fm0%2Fs1, 9.12448787689209, 0.145531609654427, , , , , , , , 5.41282606124878, -0.390328496694565, 15.9949178695679, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC13H18O2%2Fc1-9%282%298-11-4-6-12%287-5-11%2910%283%2913%2814%2915%2Fh4-7%2C9-10H%2C8H2%2C1-3H3%2C%28H%2C14%2C15%29, 9.2708911895752, 0.282079517841339, , , , , , , , 4.2357120513916, -0.35105773806572, 15.9982614517212, , , , 11.9962062835693, , , , , , , 
-InChI%3D1S%2FC23H30O6%2Fc1-13%2824%2929-12-19%2827%2923%2828%299-7-17-16-5-4-14-10-15%2825%296-8-21%2814%2C2%2920%2816%2918%2826%2911-22%2817%2C23%293%2Fh10%2C16-17%2C20%2C28H%2C4-9%2C11-12H2%2C1-3H3%2Ft16%3F%2C17-%2C20%2B%2C21-%2C22-%2C23-%2Fm0%2Fs1, 12.5984706878662, 0.258521616458893, , , , , , , , 3.86721849441528, -0.381251662969589, 15.9999494552612, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC20H34O5%2Fc1-2-3-6-9-15%2821%2912-13-17-16%2818%2822%2914-19%2817%2923%2910-7-4-5-8-11-20%2824%2925%2Fh12-13%2C15-17%2C19%2C21%2C23H%2C2-11%2C14H2%2C1H3%2C%28H%2C24%2C25%29%2Fb13-12%2B%2Ft15-%2C16%2B%2C17%3F%2C19%3F%2Fm0%2Fs1, 10.4902744293213, 0.278431415557861, , , , , , , , 3.73232245445251, -0.392074704170227, 16.0000038146973, , , , 11.996150970459, , , , , , , 
-InChI%3D1S%2FC11H11N5%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29, 9.29199504852295, 0.116335637867451, , , , , , , , 5.40272903442383, -0.313738167285919, 14.0094022750854, , , , 11.994402885437, , , , , , , 
-InChI%3D1S%2FC20H32O5%2Fc1-2-3-4-7-14%2821%2910-11-16-17-12-15%288-5-6-9-20%2823%2924%2925-19%2817%2913-18%2816%2922%2Fh8%2C10-11%2C14%2C16-19%2C21-22H%2C2-7%2C9%2C12-13H2%2C1H3%2C%28H%2C23%2C24%29%2Fb11-10%2B%2C15-8-%2Ft14-%2C16%2B%2C17%3F%2C18%2B%2C19-%2Fm0%2Fs1, 10.4758386611938, 0.25895830988884, , , , , , , , 3.75393414497375, -0.392091155052185, 15.9989395141602, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC18H22N2S%2Fc1-14%2812-19%282%293%2913-20-15-8-4-6-10-17%2815%2921-18-11-7-5-9-16%2818%2920%2Fh4-11%2C14H%2C12-13H2%2C1-3H3, 11.9992475509644, 0.209875151515007, , , , , , , , 5.87158966064453, -0.308673501014709, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC20H24ClN3O2%2Fc1-26-19-12-18%2822%2917%2821%2911-16%2819%2920%2825%2923-15-7-9-24%2810-8-15%2913-14-5-3-2-4-6-14%2Fh2-6%2C11-12%2C15H%2C7-10%2C13%2C22H2%2C1H3%2C%28H%2C23%2C25%29, 10.3299312591553, 0.169813051819801, , , , , , , , 5.15379190444946, -0.373297363519669, 34.9688529968262, , , , 11.996150970459, , , , , , , 
-InChI%3D1S%2FC20H21NO4%2Fc1-22-17-6-5-13%2810-18%2817%2923-2%299-16-15-12-20%2825-4%2919%2824-3%2911-14%2815%297-8-21-16%2Fh5-8%2C10-12H%2C9H2%2C1-4H3, 10.6134490966797, 0.156240612268448, , , , , , , , 4.89582824707031, -0.371967524290085, 15.9979372024536, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC16H18N2O5S%2Fc1-16%282%2912%2815%2821%2922%2918-13%2820%2911%2814%2818%2924-16%2917-10%2819%298-23-9-6-4-3-5-7-9%2Fh3-7%2C11-12%2C14H%2C8H2%2C1-2H3%2C%28H%2C17%2C19%29%28H%2C21%2C22%29%2Ft11%3F%2C12-%2C14%2B%2Fm0%2Fs1, 12.0548305511475, 0.278272718191147, , , , , , , , 4.76959943771362, -0.362462252378464, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3, 4.35178089141846, 0.0669408664107323, , , , , , , , 3.31247305870056, -0.422125220298767, 15.9979410171509, , , , 11.9966878890991, , , , , , , 
-InChI%3D1S%2FC8H8Cl3N3O4S2%2Fc9-3-1-4-6%282-5%283%2919%2812%2C15%2916%2920%2817%2C18%2914-8%2813-4%297%2810%2911%2Fh1-2%2C7-8%2C13-14H%2C%28H2%2C12%2C15%2C16%29, 13.0057048797607, 0.245278313755989, , , , , , , , 7.03287887573242, -0.288599908351898, 34.9708557128906, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC25H37NO4%2Fc27-20-23-18-22%2813-14-24%2823%2928%2925%2829%2919-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21%2Fh3-5%2C10-11%2C13-14%2C18%2C25-29H%2C1-2%2C6-9%2C12%2C15-17%2C19-20H2, 9.38227081298828, 0.128603115677834, , , , , , , , 4.50157451629639, -0.395345628261566, 15.9979419708252, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6-%2Fm1%2Fs1, 8.9259614944458, 0.11297070235014, , , , , , , , 5.58353137969971, -0.389359951019287, 78.91943359375, , , , 11.9988508224487, , , , , , , 
-InChI%3D1S%2FC4H6N2S%2Fc1-6-3-2-5-4%286%297%2Fh2-3H%2C1H3%2C%28H%2C5%2C7%29, 8.72348213195801, 0.211631372570992, , , , , , , , 5.91099071502686, -0.268999546766281, 31.972677230835, , , , 11.9985370635986, , , , , , , 
-InChI%3D1S%2FC12H14N4O4S%2Fc1-19-10-11%2814-7-15-12%2810%2920-2%2916-21%2817%2C18%299-5-3-8%2813%294-6-9%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29, 11.5502977371216, 0.222743913531303, , , , , , , , 4.93029069900513, -0.36632639169693, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC21H25NO%2Fc1-22-18-12-13-19%2822%2915-20%2814-18%2923-21%2816-8-4-2-5-9-16%2917-10-6-3-7-11-17%2Fh2-11%2C18-21H%2C12-15H2%2C1H3%2Ft18-%2C19-%2Fm1%2Fs1, 11.1709003448486, 0.145324423909187, , , , , , , , 6.3721923828125, -0.372925072908401, 15.9949207305908, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC42H30N6O12%2Fc49-37%2825-7-1-13-43-19-25%2955-31-32%2856-38%2850%2926-8-2-14-44-20-26%2934%2858-40%2852%2928-10-4-16-46-22-28%2936%2860-42%2854%2930-12-6-18-48-24-30%2935%2859-41%2853%2929-11-5-17-47-23-29%2933%2831%2957-39%2851%2927-9-3-15-45-21-27%2Fh1-24%2C31-36H%2Ft31-%2C32-%2C33%3F%2C34%3F%2C35-%2C36%2B%2Fm0%2Fs1, 11.6722106933594, 0.278017669916153, , , , , , , , 5.20242786407471, -0.307151973247528, 16.0060787200928, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC11H15ClO2%2Fc1-10%282%2C13%2911%283%2C14%298-4-6-9%2812%297-5-8%2Fh4-7%2C13-14H%2C1-3H3, 10.3686952590942, 0.113262221217155, , , , , , , , 5.82991933822632, -0.411127507686615, 34.9688529968262, , , , 11.9962329864502, , , , , , , 
-InChI%3D1S%2FC43H75NO16%2Fc1-15-29-43%2811%2C52%2936%2848%2924%285%2933%2847%2922%283%2920-41%289%2C51%2938%2825%286%2934%2826%287%2939%2850%2957-29%2959-32-21-42%2810%2C53-14%2937%2849%2927%288%2956-32%2960-40-35%2828%2844%2812%2913%2919-23%284%2955-40%2958-31%2846%2918-17-30%2845%2954-16-2%2Fh22-29%2C32%2C34-38%2C40%2C48-49%2C51-52H%2C15-21H2%2C1-14H3%2Ft22-%2C23-%2C24%2B%2C25%2B%2C26-%2C27%2B%2C28%2B%2C29-%2C32%2B%2C34%2B%2C35%3F%2C36-%2C37%2B%2C38-%2C40%2B%2C41-%2C42-%2C43-%2Fm1%2Fs1, 12.3302164077759, 0.267949968576431, , , , , , , , 4.22417497634888, -0.411479294300079, 16.0103855133057, , , , 11.9960889816284, , , , , , , 
-InChI%3D1S%2FC10H13NO2%2Fc1-3-13-10-6-4-9%285-7-10%2911-8%282%2912%2Fh4-7H%2C3H2%2C1-2H3%2C%28H%2C11%2C12%29, 8.43958759307861, 0.156493663787842, , , , , , , , 4.70232963562012, -0.372741013765335, 15.9982614517212, , , , 11.9962491989136, , , , , , , 
-InChI%3D1S%2FC13H19NO4S%2Fc1-3-9-14%2810-4-2%2919%2817%2C18%2912-7-5-11%286-8-12%2913%2815%2916%2Fh5-8H%2C3-4%2C9-10H2%2C1-2H3%2C%28H%2C15%2C16%29, 12.058536529541, 0.286480396986008, , , , , , , , 4.21176815032959, -0.350688517093658, 31.9720726013184, , , , 11.9962062835693, , , , , , , 
-InChI%3D1S%2FC16H13N3O3%2Fc1-18-14-8-7-12%2819%2821%2922%299-13%2814%2916%2817-10-15%2818%2920%2911-5-3-2-4-6-11%2Fh2-9H%2C10H2%2C1H3, 11.3591079711914, 0.224652469158173, , , , , , , , 3.77506184577942, -0.28307968378067, 16.0169353485107, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC16H14F3N3O2S%2Fc1-10-13%2820-7-6-14%2810%2924-9-16%2817%2C18%2919%298-25%2823%2915-21-11-4-2-3-5-12%2811%2922-15%2Fh2-7H%2C8-9H2%2C1H3%2C%28H%2C21%2C22%29, 11.0926780700684, 0.411725163459778, , , , , , , , 3.08222985267639, -0.361367076635361, 31.9720726013184, , , , 11.9883308410645, , , , , , , 
-InChI%3D1S%2FC24H30N2O2S%2Fc1-18%2828%2920-7-8-24-22%2817-20%2926%2821-5-2-3-6-23%2821%2929-24%2913-4-12-25-14-9-19%2810-15-25%2911-16-27%2Fh2-3%2C5-8%2C17%2C19%2C27H%2C4%2C9-16H2%2C1H3, 12.1335163116455, 0.137617960572243, , , , , , , , 4.16962194442749, -0.396127581596375, 31.9720726013184, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC10H12N4O5S.Na%2Fc1-14-7-4-8%2815%296%2812-13-10%2811%2916%292-5%287%293-9%2814%2920%2817%2C18%2919%3B%2Fh2%2C4%2C9H%2C3H2%2C1H3%2C%28H3%2C11%2C13%2C16%29%28H%2C17%2C18%2C19%29%3B%2Fq%3B%2B1%2Fp-1%2Fb12-6%2B%3B, 11.896050453186, 0.331885099411011, , , , , , , , -2.61704985859978e-06, -0.304849445819855, 31.9728298187256, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC42H38O20%2Fc43-11-23-31%2847%2935%2851%2937%2853%2941%2861-23%2959-21-5-1-3-15-25%2817-7-13%2839%2855%2956%299-19%2845%2927%2817%2933%2849%2929%2815%2921%2926-16-4-2-6-22%2860-42-38%2854%2936%2852%2932%2848%2924%2812-44%2962-42%2930%2816%2934%2850%2928-18%2826%298-14%2840%2857%2958%2910-20%2828%2946%2Fh1-10%2C23-26%2C31-32%2C35-38%2C41-48%2C51-54H%2C11-12H2%2C%28H%2C55%2C56%29%28H%2C57%2C58%29%2Ft23-%2C24%3F%2C25-%2C26-%2C31-%2C32-%2C35%2B%2C36%2B%2C37-%2C38-%2C41%3F%2C42-%2Fm1%2Fs1, 14.4424133300781, 0.268273025751114, , , , , , , , 4.38028764724731, -0.410679131746292, 16.0143623352051, , , , 11.9960908889771, , , , , , , 
-InChI%3D1S%2FC34H28N6O14S4.4Na%2Fc1-15-11-17%283-7-21%2815%2937-39-23-9-5-19-25%2855%2843%2C44%2945%2913-27%2857%2849%2C50%2951%2931%2835%2929%2819%2933%2823%2941%2918-4-8-22%2816%282%2912-18%2938-40-24-10-6-20-26%2856%2846%2C47%2948%2914-28%2858%2852%2C53%2954%2932%2836%2930%2820%2934%2824%2942%3B%3B%3B%3B%2Fh3-14%2C41-42H%2C35-36H2%2C1-2H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29%3B%3B%3B%3B%2Fq%3B4%2A%2B1%2Fp-4%2Fb39-37%2B%2C40-38%2B%3B%3B%3B%3B, 12.7860908508301, 0.356228739023209, , , , , , , , -0.00100000004749745, -0.322313666343689, 31.9750843048096, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H29IO2%2Fc1-3-22-19%2821%2914-9-7-5-4-6-8-11-16%282%2917-12-10-13-18%2820%2915-17%2Fh10%2C12-13%2C15-16H%2C3-9%2C11%2C14H2%2C1-2H3, 12.4321279525757, 0.261525690555573, , , , , , , , 4.19581890106201, -0.315972834825516, 126.904472351074, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC24H29NO4%2Fc1-5-26-21-10-9-17%2814-22%2821%2927-6-2%2913-20-19-16-24%2829-8-4%2923%2828-7-3%2915-18%2819%2911-12-25-20%2Fh9-12%2C14-16H%2C5-8%2C13H2%2C1-4H3, 10.7457427978516, 0.15634685754776, , , , , , , , 5.03125, -0.369021207094193, 15.9979410171509, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC23H31NO2%2Fc1-6-22%2826-19%283%2925%2923%2817-18%282%2924%284%295%2C20-13-9-7-10-14-20%2921-15-11-8-12-16-21%2Fh7-16%2C18%2C22H%2C6%2C17H2%2C1-5H3, 14.6595668792725, 0.258703827857971, , , , , , , , 4.36907863616943, -0.312114089727402, 15.9959268569946, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC24H28N2O5%2Fc1-2-31-24%2830%2920%2814-12-17-8-4-3-5-9-17%2925-19-15-13-18-10-6-7-11-21%2818%2926%2823%2819%2929%2916-22%2827%2928%2Fh3-11%2C19-20%2C25H%2C2%2C12-16H2%2C1H3%2C%28H%2C27%2C28%29%2Ft19-%2C20-%2Fm0%2Fs1, 10.8570957183838, 0.297719806432724, , , , , , , , 4.17363309860229, -0.355144172906876, 16.0064563751221, , , , 11.9883785247803, , , , , , , 
-InChI%3D1S%2FC12H9N3O%2Fc1-8-11%289-2-4-14-5-3-9%296-10%287-13%2912%2816%2915-8%2Fh2-6H%2C1H3%2C%28H%2C15%2C16%29, 10.2379455566406, 0.220267236232758, , , , , , , , 4.39166593551636, -0.389275997877121, 15.9979457855225, , , , 11.9962186813354, , , , , , , 
-InChI%3D1S%2FC19H23NO3%2Fc1-14%2819%2822%2915-7-4-3-5-8-15%2920-12-11-18%2821%2916-9-6-10-17%2813-16%2923-2%2Fh3-10%2C13-14%2C19-20%2C22H%2C11-12H2%2C1-2H3%2Ft14-%2C19-%2Fm0%2Fs1, 9.35671710968018, 0.146322384476662, , , , , , , , 4.83006572723389, -0.390718758106232, 15.9969301223755, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H23NO3%2Fc1-13%2812-22-17-6-4-3-5-7-17%2919-14%282%2918%2821%2915-8-10-16%2820%2911-9-15%2Fh3-11%2C13-14%2C18-21H%2C12H2%2C1-2H3, 9.55864715576172, 0.211836978793144, , , , , , , , 4.78710222244263, -0.390557855367661, 15.9969301223755, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC14H20N2O2%2Fc1-10%282%2916-8-11%2817%299-18-14-5-3-4-13-12%2814%296-7-15-13%2Fh3-7%2C10-11%2C15-17H%2C8-9H2%2C1-2H3, 9.02197742462158, 0.205810889601707, , , , , , , , 5.10984945297241, -0.38892787694931, 15.9959239959717, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC24H20I6N4O8%2Fc1-31-21%2837%299-13%2825%2911%2823%2839%2940%2917%2829%2919%2815%289%2927%2933-7%2835%295-3-4-6-8%2836%2934-20-16%2828%2910%2822%2838%2932-2%2914%2826%2912%2818%2820%2930%2924%2841%2942%2Fh3-6H2%2C1-2H3%2C%28H%2C31%2C37%29%28H%2C32%2C38%29%28H%2C33%2C35%29%28H%2C34%2C36%29%28H%2C39%2C40%29%28H%2C41%2C42%29, 16.9220905303955, 0.270525127649307, , , , , , , , 5.85674333572388, -0.34923979640007, 126.909492492676, , , , 11.9989004135132, , , , , , , 
-InChI%3D1S%2FC19H19N%2Fc1-20-12-11-16-15-9-5-6-10-17%2815%2919%2818%2816%2913-20%2914-7-3-2-4-8-14%2Fh2-10%2C19H%2C11-13H2%2C1H3, 12.2613210678101, 0.156117394566536, , , , , , , , 6.31282949447632, -0.301219761371613, 14.0030832290649, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC11H14N4O4%2Fc1-13-9-8%2810%2816%2914%282%2911%2813%2917%2915%286-12-9%295-7-18-3-4-19-7%2Fh6-7H%2C3-5H2%2C1-2H3, 9.70626163482666, 0.311412841081619, , , , , , , , 4.9259090423584, -0.352938234806061, 16.0062847137451, , , , 11.9885530471802, , , , , , , 
-InChI%3D1S%2FC23H20N2O3S%2Fc26-22-21%2816-17-29%2828%2920-14-8-3-9-15-20%2923%2827%2925%2819-12-6-2-7-13-19%2924%2822%2918-10-4-1-5-11-18%2Fh1-15%2C21H%2C16-17H2, 11.431173324585, 0.230358496308327, , , , , , , , 5.90754508972168, -0.279544532299042, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC3H6O3%2Fc1-2%284%293%285%296%2Fh2%2C4H%2C1H3%2C%28H%2C5%2C6%29, 6.00029706954956, 0.28753450512886, , , , , , , , 3.52499437332153, -0.404865086078644, 15.9987001419067, , , , 11.9965486526489, , , , , , , 
-InChI%3D1S%2FC19H37N5O7%2Fc1-19%2827%297-28-18%2813%2826%2916%2819%2924-2%2931-15-11%2823%295-10%2822%2914%2812%2815%2925%2930-17-9%2821%294-3-8%286-20%2929-17%2Fh3%2C9-18%2C24-27H%2C4-7%2C20-23H2%2C1-2H3%2Ft9%3F%2C10-%2C11%2B%2C12-%2C13%2B%2C14%3F%2C15%3F%2C16%2B%2C17%3F%2C18%3F%2C19-%2Fm0%2Fs1, 10.1567783355713, 0.186538502573967, , , , , , , , 5.20320606231689, -0.410433530807495, 16.0016784667969, , , , 11.9961566925049, , , , , , , 
-InChI%3D1S%2FC21H29FO5%2Fc1-18-7-5-13%2824%299-12%2818%293-4-15-14-6-8-20%2827%2C17%2826%2911-23%2919%2814%2C2%2910-16%2825%2921%2815%2C18%2922%2Fh9%2C14-16%2C23%2C25%2C27H%2C3-8%2C10-11H2%2C1-2H3%2Ft14%3F%2C15-%2C16-%2C18-%2C19-%2C20-%2C21%3F%2Fm0%2Fs1, 12.5819139480591, 0.189981564879417, , , , , , , , 4.53650426864624, -0.39004385471344, 18.9984073638916, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC11H8O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6H%2C1H3, 9.66383743286133, 0.214884772896767, , , , , , , , 5.09952116012573, -0.294491320848465, 15.9959201812744, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC20H10Br4O10S2.2Na%2Fc21-15-13-14%2816%2822%2918%2824%2917%2815%2923%2920%2834-19%2813%2927%2C7-1-3-9%2825%2911%285-7%2935%2828%2C29%2930%298-2-4-10%2826%2912%286-8%2936%2831%2C32%2933%3B%3B%2Fh1-6%2C25-26H%2C%28H%2C28%2C29%2C30%29%28H%2C31%2C32%2C33%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2, 15.8554487228394, 0.27891206741333, , , , , , , , -0.00100000004749745, -0.322580724954605, 78.92138671875, , , , 11.9988307952881, , , , , , , 
-InChI%3D1S%2FC21H28O2%2Fc1-13%2822%2917-6-7-18-16-5-4-14-12-15%2823%298-10-20%2814%2C2%2919%2816%299-11-21%2817%2C18%293%2Fh4-5%2C12%2C16-19H%2C6-11H2%2C1-3H3%2Ft16%3F%2C17-%2C18%2B%2C19-%2C20%3F%2C21-%2Fm1%2Fs1, 12.5757751464844, 0.155921474099159, , , , , , , , 4.83338785171509, -0.299390405416489, 15.995924949646, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC20H24N2OS%2Fc1-4-22%285-2%2913-12-21-16-11-10-14%283%2920-18%2816%2919%2823%2915-8-6-7-9-17%2815%2924-20%2Fh6-11%2C21H%2C4-5%2C12-13H2%2C1-3H3, 12.6631917953491, 0.219245225191116, , , , , , , , 5.55985832214355, -0.307231485843658, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC16H21N3%2Fc1-18%282%2912-13-19%2816-10-6-7-11-17-16%2914-15-8-4-3-5-9-15%2Fh3-11H%2C12-14H2%2C1-2H3, 10.5491647720337, 0.182913139462471, , , , , , , , 5.77318954467773, -0.307730942964554, 14.0144777297974, , , , 11.9883317947388, , , , , , , 
-InChI%3D1S%2FC24H27NO5S%2Fc1-13-14%282%2921-18%2815%283%2920%2813%2926%299-10-24%284%2C30-21%2912-29-17-7-5-16%286-8-17%2911-19-22%2827%2925-23%2828%2931-19%2Fh5-8%2C19%2C26H%2C9-12H2%2C1-4H3%2C%28H%2C25%2C27%2C28%29, 11.1005363464355, 0.333768039941788, , , , , , , , 5.16502141952515, -0.385238200426102, 31.9725723266602, , , , 11.9985294342041, , , , , , , 
-InChI%3D1S%2FC7H16N2O2.ClH%2Fc1-6%2811-7%288%2910%295-9%282%2C3%294%3B%2Fh6H%2C5H2%2C1-4H3%2C%28H-%2C8%2C10%29%3B1H, 8.97960472106934, 0.378873080015182, , , , , , , , 2.7299964427948, -0.382585316896439, 34.9688529968262, , , , 11.9935121536255, , , , , , , 
-InChI%3D1S%2FC16H23NO2%2Fc1-3-19-15%2818%2916%2814-8-5-4-6-9-14%2910-7-12-17%282%2913-11-16%2Fh4-6%2C8-9H%2C3%2C7%2C10-13H2%2C1-2H3, 12.3133172988892, 0.268394857645035, , , , , , , , 5.09005355834961, -0.315601229667664, 15.9959239959717, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC16H11ClN4%2Fc17-12-6-7-14-13%288-12%2916%2811-4-2-1-3-5-11%2918-9-15-20-19-10-21%2814%2915%2Fh1-8%2C10H%2C9H2, 11.6941051483154, 0.165014773607254, , , , , , , , 6.35175371170044, -0.288583934307098, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC33H30N4O2%2Fc1-4-9-30-35-31-21%282%2918-24%2832-34-27-12-7-8-13-28%2827%2936%2832%293%2919-29%2831%2937%2830%2920-22-14-16-23%2817-15-22%2925-10-5-6-11-26%2825%2933%2838%2939%2Fh5-8%2C10-19H%2C4%2C9%2C20H2%2C1-3H3%2C%28H%2C38%2C39%29, 11.5332269668579, 0.267271041870117, , , , , , , , 4.46331024169922, -0.331185400485992, 15.9959354400635, , , , 11.9932222366333, , , , , , , 
-InChI%3D1S%2FC10H15NO%2Fc1-8%2811-2%2910%2812%299-6-4-3-5-7-9%2Fh3-8%2C10-12H%2C1-2H3%2Ft8-%2C10%2B%2Fm0%2Fs1, 9.12448787689209, 0.145531609654427, , , , , , , , 5.41282606124878, -0.390328496694565, 15.9949178695679, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC22H24ClN3OS2.ClH%2Fc23-16-6-7-20-18%2814-16%2926%2817-4-1-2-5-19%2817%2929-20%2911-3-10-25-12-8-22%289-13-25%2924-21%2827%2915-28-22%3B%2Fh1-2%2C4-7%2C14H%2C3%2C8-13%2C15H2%2C%28H%2C24%2C27%29%3B1H, 12.1282596588135, 0.216488927602768, , , , , , , , 2.72999548912048, -0.34771254658699, 34.969856262207, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC14H22N2O3%2Fc1-10%282%2916-8-12%2817%299-19-13-5-3-11%284-6-13%297-14%2815%2918%2Fh3-6%2C10%2C12%2C16-17H%2C7-9H2%2C1-2H3%2C%28H2%2C15%2C18%29, 8.75568294525146, 0.15686109662056, , , , , , , , 4.70800924301147, -0.38896182179451, 15.9987096786499, , , , 11.9961957931519, , , , , , , 
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-InChI%3D1S%2FC17H17ClO6%2Fc1-8-5-9%2819%296-12%2823-4%2917%288%2916%2820%2913-10%2821-2%297-11%2822-3%2914%2818%2915%2813%2924-17%2Fh6-8H%2C5H2%2C1-4H3%2Ft8-%2C17%3F%2Fm1%2Fs1, 12.2033672332764, 0.263833522796631, , , , , , , , 4.84746980667114, -0.374003052711487, 34.9688529968262, , , , 11.9884510040283, , , , , , , 
-InChI%3D1S%2FC18H18N8O7S3%2Fc1-25-18%2822-12%2828%2913%2829%2923-25%2936-4-6-3-34-15-9%2814%2830%2926%2815%2910%286%2916%2831%2932%2921-11%2827%298%2824-33-2%297-5-35-17%2819%2920-7%2Fh5%2C9%2C15H%2C3-4H2%2C1-2H3%2C%28H2%2C19%2C20%29%28H%2C21%2C27%29%28H%2C23%2C29%29%28H%2C31%2C32%29%2Ft9%3F%2C15-%2Fm1%2Fs1, 12.4483604431152, 0.302615314722061, , , , , , , , 4.56802415847778, -0.327115178108215, 31.9740772247314, , , , 11.9943132400513, , , , , , , 
-InChI%3D1S%2FC14H21N3O3%2Fc1-9%282%2915-7-12-4-3-10-5-11%288-18%2914%2817%2819%2920%296-13%2810%2916-12%2Fh5-6%2C9%2C12%2C15-16%2C18H%2C3-4%2C7-8H2%2C1-2H3, 9.83030128479004, 0.175876513123512, , , , , , , , 3.85506272315979, -0.395079553127289, 16.0169353485107, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC18H22ClNO%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%2Fh2-11%2C16H%2C12-15H2%2C1H3, 10.4890012741089, 0.211820125579834, , , , , , , , 5.62158155441284, -0.369119584560394, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC22H23ClN2O2%2Fc1-2-27-22%2826%2925-12-9-15%2810-13-25%2920-19-8-7-18%2823%2914-17%2819%296-5-16-4-3-11-24-21%2816%2920%2Fh3-4%2C7-8%2C11%2C14H%2C2%2C5-6%2C9-10%2C12-13H2%2C1H3, 12.807653427124, 0.340109705924988, , , , , , , , 4.62345600128174, -0.303025960922241, 34.9688529968262, , , , 11.9942846298218, , , , , , , 
-InChI%3D1S%2FC22H24FN3OS%2Fc23-17-9-7-16%288-10-17%2921%2827%296-3-13-25-14-11-18%2812-15-25%2926-20-5-2-1-4-19%2820%2924-22%2826%2928%2Fh1-2%2C4-5%2C7-10%2C18H%2C3%2C6%2C11-15H2%2C%28H%2C24%2C28%29, 11.5975637435913, 0.228015571832657, , , , , , , , 4.00955867767334, -0.303246706724167, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC10H14O2%2Fc1-10%282%2C3%298-6-7%2811%294-5-9%288%2912%2Fh4-6%2C11-12H%2C1-3H3, 9.74006175994873, 0.105846934020519, , , , , , , , 5.01655578613281, -0.386526137590408, 15.9959192276001, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC8H15N7O2S3%2Fc9-6%2815-20%2812%2C16%2917%291-2-18-3-5-4-19-8%2813-5%2914-7%2810%2911%2Fh4H%2C1-3H2%2C%28H2%2C9%2C15%29%28H2%2C12%2C16%2C17%29%28H4%2C10%2C11%2C13%2C14%29, 10.6656064987183, 0.280052244663239, , , , , , , , 5.39118671417236, -0.292269766330719, 31.9740734100342, , , , 11.9884881973267, , , , , , , 
-InChI%3D1S%2FC16H24N2O2%2Fc1-3-13-11%282%2917-14-5-4-12%2816%2819%2915%2813%2914%2910-18-6-8-20-9-7-18%2Fh12%2C17H%2C3-10H2%2C1-2H3, 10.0854578018188, 0.222870245575905, , , , , , , , 5.51648187637329, -0.378491878509521, 15.995924949646, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC4H10N2%2Fc1-2-6-4-3-5-1%2Fh5-6H%2C1-4H2, 6.35229969024658, 0.0371864698827267, , , , , , , , 6.10119152069092, -0.342116802930832, 14.0082683563232, , , , 11.9946517944336, , , , , , , 
-InChI%3D1S%2FC23H31NO7%2Fc1-15%285-7-19%2825%2930-13-10-24-8-11-29-12-9-24%294-6-17-21%2826%2920-18%2814-31-23%2820%2927%2916%282%2922%2817%2928-3%2Fh4%2C26H%2C5-14H2%2C1-3H3, 10.6180601119995, 0.27284374833107, , , , , , , , 4.50232219696045, -0.384645223617554, 16.0009593963623, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC20H25NOS%2Fc1-3-21%284-2%2915-16-23-20%2822%2919%2817-11-7-5-8-12-17%2918-13-9-6-10-14-18%2Fh5-14%2C19H%2C3-4%2C15-16H2%2C1-2H3, 12.5037097930908, 0.193102568387985, , , , , , , , 5.65782308578491, -0.302934229373932, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC26H28ClNO%2Fc1-3-28%284-2%2919-20-29-24-17-15-22%2816-18-24%2925%2821-11-7-5-8-12-21%2926%2827%2923-13-9-6-10-14-23%2Fh5-18H%2C3-4%2C19-20H2%2C1-2H3, 12.9050807952881, 0.145132094621658, , , , , , , , 5.49428939819336, -0.369416564702988, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC12H16N2O3%2Fc1-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914%282%2910%2812%2916%2Fh6H%2C3-5%2C7H2%2C1-2H3%2C%28H%2C13%2C15%2C17%29, 11.8315048217773, 0.330602258443832, , , , , , , , 4.67184591293335, -0.346914350986481, 15.9969263076782, , , , 11.99338722229, , , , , , , 
-InChI%3D1S%2FC18H20N2%2Fc1-19-10-11-20-17-9-5-3-7-15%2817%2912-14-6-2-4-8-16%2814%2918%2820%2913-19%2Fh2-9%2C18H%2C10-13H2%2C1H3, 11.5687952041626, 0.179194569587708, , , , , , , , 6.2709174156189, -0.302747070789337, 14.0040922164917, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC25H43N13O10%2Fc26-3-1-2-10%2827%294-16%2841%2932-12-6-30-23%2847%2918%2811-5-17%2842%2937-24%2828%2936-11%2938-20%2844%2913%287-31-25%2829%2948%2933-21%2845%2914%288-39%2935-22%2846%2915%289-40%2934-19%2812%2943%2Fh7%2C10-12%2C14-15%2C17-18%2C39-40%2C42H%2C1-6%2C8-9%2C26-27H2%2C%28H%2C30%2C47%29%28H%2C32%2C41%29%28H%2C33%2C45%29%28H%2C34%2C43%29%28H%2C35%2C46%29%28H%2C38%2C44%29%28H3%2C28%2C36%2C37%29%28H3%2C29%2C31%2C48%29%2Ft10%3F%2C11-%2C12%3F%2C14%3F%2C15%3F%2C17%2B%2C18%3F%2Fm1%2Fs1, 11.4370174407959, 0.211610749363899, , , , , , , , 4.68063497543335, -0.394356220960617, 16.0045146942139, , , , 11.9961290359497, , , , , , , 
-InChI%3D1S%2FC18H13ClN2O%2Fc1-2-10-21-16-9-8-14%2819%2911-15%2816%2918%2820-12-17%2821%2922%2913-6-4-3-5-7-13%2Fh1%2C3-9%2C11H%2C10%2C12H2, 11.8153219223022, 0.225792676210403, , , , , , , , 4.81387805938721, -0.283073723316193, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC22H29NO5%2Fc1-7-22%2823%282%293%2C17-11-9-8-10-12-17%2915-28-21%2824%2916-13-18%2825-4%2920%2827-6%2919%2814-16%2926-5%2Fh8-14H%2C7%2C15H2%2C1-6H3, 12.2867822647095, 0.269774615764618, , , , , , , , 5.01609373092651, -0.371835500001907, 15.9989452362061, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC12H9F3N2O2%2Fc1-7-10%286-16-19-7%2911%2818%2917-9-4-2-8%283-5-9%2912%2813%2C14%2915%2Fh2-6H%2C1H3%2C%28H%2C17%2C18%29, 8.85460567474365, 0.3962162733078, , , , , , , , 3.50381541252136, -0.279862940311432, 19.0004119873047, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC9H13NO%2Fc1-7%2810%296-8-2-4-9%2811%295-3-8%2Fh2-5%2C7%2C11H%2C6%2C10H2%2C1H3, 8.79412460327148, 0.130356267094612, , , , , , , , 4.7487530708313, -0.385724246501923, 15.9949178695679, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC21H22N2O5S%2Fc1-4-28-13-10-9-11-7-5-6-8-12%2811%2914%2813%2917%2824%2922-15-18%2825%2923-16%2820%2826%2927%2921%282%2C3%2929-19%2815%2923%2Fh5-10%2C15-16%2C19H%2C4H2%2C1-3H3%2C%28H%2C22%2C24%29%28H%2C26%2C27%29%2Ft15%3F%2C16-%2C19%2B%2Fm0%2Fs1, 12.1136922836304, 0.27827462553978, , , , , , , , 4.78431224822998, -0.371486574411392, 31.9720726013184, , , , 11.9961462020874, , , , , , , 
-InChI%3D1S%2FC10H20N2S4%2Fc1-5-11%286-2%299%2813%2915-16-10%2814%2912%287-3%298-4%2Fh5-8H2%2C1-4H3, 14.2609176635742, 0.109360761940479, , , , , , , , 6.31884956359863, -0.263649582862854, 31.9750728607178, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC20H25NO3%2Fc1-3-21%284-2%2915-16-24-19%2822%2920%2823%2C17-11-7-5-8-12-17%2918-13-9-6-10-14-18%2Fh5-14%2C23H%2C3-4%2C15-16H2%2C1-2H3, 11.7062101364136, 0.294891893863678, , , , , , , , 5.44625425338745, -0.377822250127792, 15.9969310760498, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC5H8N4O3S2%2Fc1-3%2810%297-4-9%282%298-5%2813-4%2914%286%2C11%2912%2Fh1-2H3%2C%28H2%2C6%2C11%2C12%29, 12.8669099807739, 0.26174607872963, , , , , , , , 4.49973058700562, -0.272146135568619, 31.9734706878662, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC5H9N3%2Fc6-2-1-5-3-7-4-8-5%2Fh3-4H%2C1-2%2C6H2%2C%28H%2C7%2C8%29, 7.14844608306885, 0.143363863229752, , , , , , , , 4.74664974212646, -0.330190390348434, 14.0144681930542, , , , 11.9885921478271, , , , , , , 
-InChI%3D1S%2FC5H6N2OS%2Fc1-3-2-4%288%297-5%289%296-3%2Fh2H%2C1H3%2C%28H2%2C6%2C7%2C8%2C9%29, 9.01488018035889, 0.193641185760498, , , , , , , , 4.91874647140503, -0.369492620229721, 31.9720706939697, , , , 11.9885931015015, , , , , , , 
-InChI%3D1S%2FC12H14N2O2%2Fc1-3-12%289-7-5-4-6-8-9%2910%2815%2914%282%2911%2816%2913-12%2Fh4-8H%2C3H2%2C1-2H3%2C%28H%2C13%2C16%29, 11.4439420700073, 0.238083705306053, , , , , , , , 5.33016777038574, -0.335359305143356, 15.9959230422974, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC12H17NO3%2Fc1-4-13%285-2%2912%2815%299-6-7-10%2814%2911%288-9%2916-3%2Fh6-8%2C14H%2C4-5H2%2C1-3H3, 9.50338363647461, 0.210791200399399, , , , , , , , 4.90105533599854, -0.382918238639832, 15.9969253540039, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC10H13N3%2Fc11-10%2812%2913-6-5-8-3-1-2-4-9%288%297-13%2Fh1-4H%2C5-7H2%2C%28H3%2C11%2C12%29, 9.43770408630371, 0.144456744194031, , , , , , , , 5.48017168045044, -0.283541083335876, 14.0085554122925, , , , 11.9944229125977, , , , , , , 
-InChI%3D1S%2FC32H38N2O8%2Fc1-37-24-12-17%2813-25%2838-2%2929%2824%2939-3%2931%2835%2942-26-14-18-16-34-11-10-20-19-8-6-7-9-22%2819%2933-28%2820%2923%2834%2915-21%2818%2927%2830%2826%2940-4%2932%2836%2941-5%2Fh6-9%2C12-13%2C18%2C21%2C23%2C26-27%2C30%2C33H%2C10-11%2C14-16H2%2C1-5H3%2Ft18%3F%2C21-%2C23%2B%2C26%3F%2C27%3F%2C30-%2Fm0%2Fs1, 11.6612482070923, 0.270609468221664, , , , , , , , 4.95618057250977, -0.377530962228775, 16.0019874572754, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC27H22Cl2N4%2Fc1-17%282%2930-24-16-27-25%2815-23%2824%2931-20-11-7-18%2828%298-12-20%2932-22-5-3-4-6-26%2822%2933%2827%2921-13-9-19%2829%2910-14-21%2Fh3-17%2C31H%2C1-2H3, 12.5123405456543, 0.120346926152706, , , , , , , , 6.08897161483765, -0.303395181894302, 34.969856262207, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC24H31N3OS%2Fc1-3-7-22%2828%2919-10-11-24-21%2818-19%2927%2820-8-4-5-9-23%2820%2929-24%2913-6-12-26-16-14-25%282%2915-17-26%2Fh4-5%2C8-11%2C18H%2C3%2C6-7%2C12-17H2%2C1-2H3, 12.1947746276855, 0.177747577428818, , , , , , , , 5.23997640609741, -0.304040879011154, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC16H24N2O3%2Fc1-16%282%2C3%2917-9-11%2819%2910-21-14-6-4-5-13-12%2814%297-8-15%2820%2918-13%2Fh4-6%2C11%2C17%2C19H%2C7-10H2%2C1-3H3%2C%28H%2C18%2C20%29, 9.73507213592529, 0.135924756526947, , , , , , , , 4.98397254943848, -0.388952493667603, 15.9969301223755, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC19H29IO2%2Fc1-3-22-19%2821%2911-9-7-5-4-6-8-10-16%282%2917-12-14-18%2820%2915-13-17%2Fh12-16H%2C3-11H2%2C1-2H3, 12.0392541885376, 0.261524975299835, , , , , , , , 4.19548892974854, -0.315972745418549, 126.904472351074, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H28N2O%2Fc1-4-5-12-20-13-7-6-11-16%2820%2918%2821%2919-17-14%282%299-8-10-15%2817%293%2Fh8-10%2C16H%2C4-7%2C11-13H2%2C1-3H3%2C%28H%2C19%2C21%29, 10.5769023895264, 0.176732957363129, , , , , , , , 5.28934240341187, -0.370199739933014, 15.9979467391968, , , , 11.9961633682251, , , , , , , 
-InChI%3D1S%2FC6H8O6%2Fc7-1-2%288%295-3%289%294%2810%296%2811%2912-5%2Fh2%2C5%2C7-10H%2C1H2%2Ft2-%2C5%2B%2Fm0%2Fs1, 8.26325798034668, 0.319440871477127, , , , , , , , 4.17457628250122, -0.393202215433121, 16.0007839202881, , , , 11.9963550567627, , , , , , , 
-InChI%3D1S%2FC27H33N3O6S%2Fc1-27%282%2923-14-11-20%2836-3%2917-22%2823%2924%2831%2930%2825%2827%2932%2916-15-18-9-12-21%2813-10-18%2937%2834%2C35%2929-26%2833%2928-19-7-5-4-6-8-19%2Fh9-14%2C17%2C19H%2C4-8%2C15-16H2%2C1-3H3%2C%28H2%2C28%2C29%2C33%29, 11.6403255462646, 0.227856680750847, , , , , , , , 4.91801929473877, -0.373957514762878, 31.9720726013184, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC23H32N2O5%2Fc1-3-30-23%2829%2918%2813-12-16-8-5-4-6-9-16%2924-15%282%2921%2826%2925-19-11-7-10-17%2819%2914-20%2825%2922%2827%2928%2Fh4-6%2C8-9%2C15%2C17-20%2C24H%2C3%2C7%2C10-14H2%2C1-2H3%2C%28H%2C27%2C28%29%2Ft15-%2C17-%2C18-%2C19%3F%2C20-%2Fm0%2Fs1, 10.9089908599854, 0.296275705099106, , , , , , , , 4.51062297821045, -0.349700629711151, 16.0000133514404, , , , 11.9961366653442, , , , , , , 
-InChI%3D1S%2FC21H22N2O2%2Fc24-18-10-16-19-13-9-17-21%286-7-22%2817%2911-12%2813%295-8-25-16%2914-3-1-2-4-15%2814%2923%2818%2920%2819%2921%2Fh1-5%2C13%2C16-17%2C19-20H%2C6-11H2%2Ft13%3F%2C16%3F%2C17-%2C19-%2C20-%2C21%3F%2Fm0%2Fs1, 13.6662273406982, 0.206339567899704, , , , , , , , 5.55407190322876, -0.37260165810585, 15.9959268569946, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC23H25N5O5%2Fc1-30-18-11-14-15%2812-19%2818%2931-2%2925-23%2826-21%2814%2924%2928-9-7-27%288-10-28%2922%2829%2920-13-32-16-5-3-4-6-17%2816%2933-20%2Fh3-6%2C11-12%2C20H%2C7-10%2C13H2%2C1-2H3%2C%28H2%2C24%2C25%2C26%29, 10.464129447937, 0.23428125679493, , , , , , , , 5.0160436630249, -0.372514933347702, 15.9997682571411, , , , 11.9966402053833, , , , , , , 
-InChI%3D1S%2FC14H20ClN3O3S%2Fc1-9-4-3-5-10%282%2918%289%2917-14%2819%2911-6-7-12%2815%2913%288-11%2922%2816%2C20%2921%2Fh6-10H%2C3-5H2%2C1-2H3%2C%28H%2C17%2C19%29%28H2%2C16%2C20%2C21%29, 12.2898578643799, 0.245179131627083, , , , , , , , 6.09995603561401, -0.346735686063766, 34.9688529968262, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC9H13N3O3%2Fc10-7-3-4-12%289%2814%2911-7%298-2-1-6%285-13%2915-8%2Fh3-4%2C6%2C8%2C13H%2C1-2%2C5H2%2C%28H2%2C10%2C11%2C14%29%2Ft6-%2C8%2B%2Fm0%2Fs1, 9.32754135131836, 0.170141860842705, , , , , , , , 4.22275829315186, -0.393495708703995, 15.9983072280884, , , , 11.9967565536499, , , , , , , 
-InChI%3D1S%2FC16H16ClNO2S%2Fc1-20-16%2819%2915%2812-4-2-3-5-13%2812%2917%2918-8-6-14-11%2810-18%297-9-21-14%2Fh2-5%2C7%2C9%2C15H%2C6%2C8%2C10H2%2C1H3%2Ft15-%2Fm0%2Fs1, 11.6814804077148, 0.279382407665253, , , , , , , , 4.99378252029419, -0.317819505929947, 34.9693794250488, , , , 11.998514175415, , , , , , , 
-InChI%3D1S%2FC29H38FN3O3%2Fc1-20%282%2928-23-12-11-22%2830%2918-21%2823%2913-14-29%2828%2C36-27%2834%2919-35-4%2915-17-33%283%2916-7-10-26-31-24-8-5-6-9-25%2824%2932-26%2Fh5-6%2C8-9%2C11-12%2C18%2C20%2C28H%2C7%2C10%2C13-17%2C19H2%2C1-4H3%2C%28H%2C31%2C32%29%2Ft28-%2C29%3F%2Fm0%2Fs1, 12.7114934921265, 0.288191616535187, , , , , , , , 4.31998348236084, -0.373751640319824, 18.9984092712402, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC18H33ClN2O5S%2Fc1-5-6-10-7-11%2821%283%298-10%2917%2825%2920-12%289%282%2919%2916-14%2823%2913%2822%2915%2824%2918%2826-16%2927-4%2Fh9-16%2C18%2C22-24H%2C5-8H2%2C1-4H3%2C%28H%2C20%2C25%29%2Ft9-%2C10%2B%2C11-%2C12%2B%2C13-%2C14%2B%2C15%3F%2C16%3F%2C18%2B%2Fm0%2Fs1, 11.5646877288818, 0.176656499505043, , , , , , , , 5.38802480697632, -0.387992203235626, 34.9688529968262, , , , 11.9961633682251, , , , , , , 
-InChI%3D1S%2FC10H16N2O4S3%2Fc1-3-12-8-4-6%282%2918%2813%2C14%2910-7%288%295-9%2817-10%2919%2811%2C15%2916%2Fh5-6%2C8%2C12H%2C3-4H2%2C1-2H3%2C%28H2%2C11%2C15%2C16%29%2Ft6-%2C8-%2Fm0%2Fs1, 14.9502868652344, 0.252679198980331, , , , , , , , 5.60476875305176, -0.313276678323746, 31.9743423461914, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2F2C26H28N3.C23H16O6%2Fc2%2A1-19-17-21%2820%282%2929%2819%2924-9-7-6-8-10-24%2911-13-23-14-12-22-18-25%2827%283%294%2915-16-26%2822%2928%2823%295%3B24-20-16%2814-7-3-1-5-12%2814%299-18%2820%2922%2826%2927%2911-17-15-8-4-2-6-13%2815%2910-19%2821%2817%2925%2923%2828%2929%2Fh2%2A6-18H%2C1-5H3%3B1-10%2C24-25H%2C11H2%2C%28H%2C26%2C27%29%28H%2C28%2C29%29%2Fq2%2A%2B1%3B%2Fp-2, 11.4089555740356, 0.272823750972748, , , , , , , , 4.44620323181152, -0.343627959489822, 16.0009021759033, , , , 11.9960641860962, , , , , , , 
-InChI%3D1S%2FC43H66O14%2Fc1-21-38%2848%2933%2854-24%284%2944%2919-37%2851-21%2957-40-23%283%2953-36%2818-32%2840%2946%2956-39-22%282%2952-35%2817-31%2839%2945%2955-27-9-12-41%285%2926%2816-27%297-8-30-29%2841%2910-13-42%286%2928%2811-14-43%2830%2C42%2949%2925-15-34%2847%2950-20-25%2Fh15%2C21-23%2C26-33%2C35-40%2C45-46%2C48-49H%2C7-14%2C16-20H2%2C1-6H3%2Ft21-%2C22-%2C23-%2C26-%2C27%2B%2C28-%2C29%2B%2C30%3F%2C31%2B%2C32%2B%2C33%3F%2C35%2B%2C36%2B%2C37%2B%2C38-%2C39%3F%2C40%3F%2C41%3F%2C42-%2C43%2B%2Fm1%2Fs1, 12.8371706008911, 0.286570847034454, , , , , , , , 4.01522922515869, -0.410697191953659, 16.0083961486816, , , , 11.9960889816284, , , , , , , 
-InChI%3D1S%2FC21H25ClN2O3%2Fc22-19-8-6-18%287-9-19%2921%2817-4-2-1-3-5-17%2924-12-10-23%2811-13-24%2914-15-27-16-20%2825%2926%2Fh1-9%2C21H%2C10-16H2%2C%28H%2C25%2C26%29, 12.2280969619751, 0.285035997629166, , , , , , , , 3.55013585090637, -0.369231015443802, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H18N6O6S2.Na%2Fc1-24-19%2821-22-23-24%2933-8-11-7-32-17-12%2816%2828%2925%2817%2913%2811%2918%2829%2930%2920-15%2827%2914%2831-9-26%2910-5-3-2-4-6-10%3B%2Fh2-6%2C9%2C12%2C14%2C17H%2C7-8H2%2C1H3%2C%28H%2C20%2C27%29%28H%2C29%2C30%29%3B%2Fq%3B%2B1%2Fp-1%2Ft12%3F%2C14-%2C17-%3B%2Fm1.%2Fs1, 12.3061952590942, 0.302072793245316, , , , , , , , -4.294674454286e-06, -0.327176928520203, 31.9730739593506, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H15N5O%2Fc1-3-21%2812%282%2923%2915-6-4-5-13%289-15%2916-7-8-19-17-14%2810-18%2911-20-22%2816%2917%2Fh4-9%2C11H%2C3H2%2C1-2H3, 10.7044305801392, 0.217224508523941, , , , , , , , 4.38910961151123, -0.281250268220901, 15.9949216842651, , , , 11.9883184432983, , , , , , , 
-InChI%3D1S%2FC12H13NO2%2Fc1-12%289-6-4-3-5-7-9%298-10%2814%2913%282%2911%2812%2915%2Fh3-7H%2C8H2%2C1-2H3, 11.0768175125122, 0.216190874576569, , , , , , , , 4.84107971191406, -0.280582576990128, 15.995922088623, , , , 11.99338722229, , , , , , , 
-InChI%3D1S%2FC14H16N2O4%2Fc1-4-20-14%2819%2911-7%282%295-9-10%286-17%2915-16-13%2818%2912%289%298%2811%293%2Fh5%2C17H%2C4%2C6H2%2C1-3H3%2C%28H%2C16%2C18%29, 10.541353225708, 0.270051717758179, , , , , , , , 4.60282182693481, -0.393714874982834, 15.997932434082, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC25H22O10%2Fc1-32-17-6-11%282-4-14%2817%2928%2924-20%2810-26%2933-16-5-3-12%287-18%2816%2934-24%2925-23%2831%2922%2830%2921-15%2829%298-13%2827%299-19%2821%2935-25%2Fh2-9%2C20%2C23-29%2C31H%2C10H2%2C1H3%2Ft20%3F%2C23-%2C24-%2C25%3F%2Fm0%2Fs1, 10.2863845825195, 0.177524000406265, , , , , , , , 4.61475229263306, -0.404725790023804, 16.0044498443604, , , , 11.9961290359497, , , , , , , 
-InChI%3D1S%2FC20H22ClN%2Fc21-20-10-8-17%289-11-20%2916-19%2818-6-2-1-3-7-18%2912-15-22-13-4-5-14-22%2Fh1-3%2C6-12H%2C4-5%2C13-16H2, 11.3145399093628, 0.143540933728218, , , , , , , , 6.09975051879883, -0.299271702766418, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H27NO2%2Fc1-4-14%282%2917%2815-8-6-5-7-9-15%2918%2820%2921-16-10-12-19%283%2913-11-16%2Fh5-9%2C14%2C16-17H%2C4%2C10-13H2%2C1-3H3, 11.0728273391724, 0.265775054693222, , , , , , , , 5.41088628768921, -0.31215038895607, 15.995924949646, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H21N4O9P%2Fc1-7-3-9-10%284-8%287%292%2921%2815-13%2818-9%2916%2825%2920-17%2826%2919-15%295-11%2822%2914%2824%2912%2823%296-30-31%2827%2C28%2929%2Fh3-4%2C11-12%2C14%2C22-24H%2C5-6H2%2C1-2H3%2C%28H%2C20%2C25%2C26%29%28H2%2C27%2C28%2C29%29%2Ft11-%2C12%2B%2C14-%2Fm0%2Fs1, 11.6610040664673, 0.44892892241478, , , , , , , , 2.44165325164795, -0.389422059059143, 30.973762512207, , , , 11.9943227767944, , , , , , , 
-InChI%3D1S%2FC21H25N5O8S2%2Fc1-21%282%2914%2818%2829%2930%2926-16%2828%2913%2817%2826%2935-21%2922-15%2827%2912%2811-7-5-4-6-8-11%2923-19%2831%2924-9-10-25%2820%2824%2932%2936%283%2C33%2934%2Fh4-8%2C12-14%2C17H%2C9-10H2%2C1-3H3%2C%28H%2C22%2C27%29%28H%2C23%2C31%29%28H%2C29%2C30%29%2Ft12-%2C13%3F%2C14%2B%2C17-%2Fm1%2Fs1, 12.1123380661011, 0.29838165640831, , , , , , , , 4.78397226333618, -0.346840798854828, 31.9730739593506, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC23H32N2O%2Fc1-18%282%2925%285%2C19%283%294%2917-16-23%2822%2824%2926%2C20-12-8-6-9-13-20%2921-14-10-7-11-15-21%2Fh6-15%2C18-19H%2C16-17H2%2C1-5H3%2C%28H-%2C24%2C26%29%2Fp%2B1, 13.9829435348511, 0.140571504831314, , , , , , , , 6.22333955764771, -0.348169833421707, 15.9949216842651, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC29H44O3%2Fc1-3-4-5-6-7-8-9-10-11-28%2831%2932-27-17-16-26-25-14-12-21-20-22%2830%2913-15-23%2821%2924%2825%2918-19-29%2826%2C27%292%2Fh13%2C15%2C20%2C24-27%2C30H%2C3-12%2C14%2C16-19H2%2C1-2H3%2Ft24-%2C25%3F%2C26%2B%2C27%2B%2C29%2B%2Fm1%2Fs1, 11.873215675354, 0.261853218078613, , , , , , , , 4.7807092666626, -0.385766953229904, 15.9969367980957, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC19H21N%2Fc1-20-14-6-11-19-17-9-4-2-7-15%2817%2912-13-16-8-3-5-10-18%2816%2919%2Fh2-5%2C7-10%2C12-13%2C19-20H%2C6%2C11%2C14H2%2C1H3, 11.9281024932861, 0.152047246694565, , , , , , , , 5.09654474258423, -0.319030940532684, 14.0030832290649, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC22H28NO3.BrH%2Fc1-3-23%282%2916-10-15-20%2817-23%2926-21%2824%2922%2825%2C18-11-6-4-7-12-18%2919-13-8-5-9-14-19%3B%2Fh4-9%2C11-14%2C20%2C25H%2C3%2C10%2C15-17H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1, 11.9555940628052, 0.295159250497818, , , , , , , , 3.49999403953552, -0.377874732017517, 78.9183349609375, , , , 11.9942846298218, , , , , , , 
-InChI%3D1S%2FC10H12N4OS%2Fc1-7%2815%2913-9-4-2-8%283-5-9%296-12-14-10%2811%2916%2Fh2-6H%2C1H3%2C%28H%2C13%2C15%29%28H3%2C11%2C14%2C16%29, 9.00326538085938, 0.156715452671051, , , , , , , , 4.71947050094604, -0.372450321912766, 31.9720726013184, , , , 11.9962491989136, , , , , , , 
-InChI%3D1S%2FC22H29N3S2%2Fc1-3-26-18-9-10-22-20%2817-18%2925%2819-7-4-5-8-21%2819%2927-22%2912-6-11-24-15-13-23%282%2914-16-24%2Fh4-5%2C7-10%2C17H%2C3%2C6%2C11-16H2%2C1-2H3, 12.5522403717041, 0.172893345355988, , , , , , , , 5.82693767547607, -0.303734987974167, 31.9730739593506, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H19N3O5S%2Fc1-2-3-10-8-27-17-13%2816%2824%2921%2817%2914%2810%2918%2825%2926%2920-15%2823%2912%2819%299-4-6-11%2822%297-5-9%2Fh2-7%2C12-13%2C17%2C22H%2C8%2C19H2%2C1H3%2C%28H%2C20%2C23%29%28H%2C25%2C26%29%2Fb3-2%2B%2Ft12-%2C13-%2C17-%2Fm1%2Fs1, 11.8917207717896, 0.30253854393959, , , , , , , , 4.80284833908081, -0.385804802179337, 31.9720726013184, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC25H28O3%2Fc1-25-14-13-20-19-10-8-18%2828-24%2827%2916-5-3-2-4-6-16%2915-17%2819%297-9-21%2820%2922%2825%2911-12-23%2825%2926%2Fh2-6%2C8%2C10%2C15%2C20-23%2C26H%2C7%2C9%2C11-14H2%2C1H3%2Ft20-%2C21%3F%2C22%2B%2C23%2B%2C25%3F%2Fm1%2Fs1, 11.468466758728, 0.270147264003754, , , , , , , , 4.94222736358643, -0.391986042261124, 15.9969339370728, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC16H19ClO2%2Fc17-15-9-13-11%286-7-12%2813%2916%2818%2919%298-14%2815%2910-4-2-1-3-5-10%2Fh8-10%2C12H%2C1-7H2%2C%28H%2C18%2C19%29, 11.1334953308105, 0.262648105621338, , , , , , , , 4.41679620742798, -0.331355929374695, 34.9688529968262, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC22H23ClN6O%2Fc1-2-3-8-20-24-21%2823%2919%2814-30%2929%2820%2913-15-9-11-16%2812-10-15%2917-6-4-5-7-18%2817%2922-25-27-28-26-22%2Fh4-7%2C9-12%2C30H%2C2-3%2C8%2C13-14H2%2C1H3%2C%28H%2C25%2C26%2C27%2C28%29, 10.9473390579224, 0.250483781099319, , , , , , , , 4.86882305145264, -0.393692046403885, 34.9688529968262, , , , 11.9882650375366, , , , , , , 
-InChI%3D1S%2FC21H21ClN2O8%2Fc1-24%282%2914-7-5-6-10%2816%2827%2912-9%2825%294-3-8%2822%2911%2812%2915%286%2926%2918%2829%2921%287%2C32%2919%2830%2913%2817%2814%2928%2920%2823%2931%2Fh3-4%2C6-7%2C14-15%2C25-26%2C28-29%2C32H%2C5H2%2C1-2H3%2C%28H2%2C23%2C31%29%2Ft6-%2C7-%2C14%3F%2C15-%2C21%3F%2Fm0%2Fs1, 12.4916887283325, 0.207754597067833, , , , , , , , 5.50416469573975, -0.391820788383484, 34.9688529968262, , , , 11.9961462020874, , , , , , , 
-InChI%3D1S%2FC19H28O2%2Fc1-18-9-7-15-14-6-4-13%2820%2911-12%2814%293-5-16%2815%2917%2818%298-10-19%2818%2C2%2921%2Fh11%2C14-17%2C21H%2C3-10H2%2C1-2H3%2Ft14%3F%2C15-%2C16%3F%2C17%2B%2C18%2B%2C19%2B%2Fm1%2Fs1, 11.8494110107422, 0.155523151159286, , , , , , , , 4.73308277130127, -0.414414048194885, 15.9982643127441, , , , 11.9961566925049, , , , , , , 
-InChI%3D1S%2FC18H29NO2%2Fc1-18%282%2C3%2919-12-15%2820%2913-21-17-11-7-6-10-16%2817%2914-8-4-5-9-14%2Fh6-7%2C10-11%2C14-15%2C19-20H%2C4-5%2C8-9%2C12-13H2%2C1-3H3, 10.1883821487427, 0.109231799840927, , , , , , , , 5.22582721710205, -0.388933390378952, 15.995924949646, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC15H11N3O3%2Fc19-14-9-16-15%2810-4-2-1-3-5-10%2912-8-11%2818%2820%2921%296-7-13%2812%2917-14%2Fh1-8H%2C9H2%2C%28H%2C17%2C19%29, 11.0502138137817, 0.175691917538643, , , , , , , , 3.75228786468506, -0.346914201974869, 16.0169353485107, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC17H19N3%2Fc1-3-7-15%288-4-1%2913-20%2814-17-18-11-12-19-17%2916-9-5-2-6-10-16%2Fh1-10H%2C11-14H2%2C%28H%2C18%2C19%29, 10.953914642334, 0.17083615064621, , , , , , , , 6.63352489471436, -0.28765332698822, 14.0051002502441, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H18ClN3O%2Fc1-21-8-10-22%2811-9-21%2918-14-12-13%2819%296-7-16%2814%2923-17-5-3-2-4-15%2817%2920-18%2Fh2-7%2C12H%2C8-11H2%2C1H3, 11.5577011108398, 0.247791200876236, , , , , , , , 5.92255735397339, -0.357573360204697, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC16H16ClN3O4.H2O%2Fc17-9-6-7-10-12%2815%2822%2920%2810%2913%289%2916%2823%2924%2919-14%2821%2911%2818%298-4-2-1-3-5-8%3B%2Fh1-5%2C10-12H%2C6-7%2C18H2%2C%28H%2C19%2C21%29%28H%2C23%2C24%29%3B1H2%2Ft10-%2C11-%2C12%3F%3B%2Fm1.%2Fs1, 10.2708110809326, 0.303877174854279, , , , , , , , 1.43799602985382, -0.411093443632126, 34.9688529968262, , , , 11.9961776733398, , , , , , , 
-InChI%3D1S%2FC13H8F2O3%2Fc14-8-2-3-9%2811%2815%296-8%297-1-4-12%2816%2910%285-7%2913%2817%2918%2Fh1-6%2C16H%2C%28H%2C17%2C18%29, 9.84338569641113, 0.28918981552124, , , , , , , , 4.03982067108154, -0.384870707988739, 18.9994087219238, , , , 11.9962062835693, , , , , , , 
-InChI%3D1S%2FC22H25N2OS.C10H16O4S%2Fc25-22-23%2814-17-8-3-1-4-9-17%2919-16-26-13-7-12-20%2826%2921%2819%2924%2822%2915-18-10-5-2-6-11-18%3B1-9%282%297-3-4-10%289%2C8%2811%295-7%296-15%2812%2C13%2914%2Fh1-6%2C8-11%2C19-21H%2C7%2C12-16H2%3B7H%2C3-6H2%2C1-2H3%2C%28H%2C12%2C13%2C14%29%2Fq%2B1%3B%2Fp-1, 12.6006269454956, 0.347277879714966, , , , , , , , 5.53560733795166, -0.298646509647369, 31.9730758666992, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC10H11I2NO3%2Fc1-2-3-16-9%2814%296-13-4-7%2811%2910%2815%298%2812%295-13%2Fh4-5H%2C2-3%2C6H2%2C1H3, 13.9756202697754, 0.275428682565689, , , , , , , , 4.75108623504639, -0.320612639188766, 126.905471801758, , , , 11.9944229125977, , , , , , , 
-InChI%3D1S%2FC20H14O4%2Fc21-15-9-5-13%286-10-15%2920%2814-7-11-16%2822%2912-8-14%2918-4-2-1-3-17%2818%2919%2823%2924-20%2Fh1-12%2C21-22H, 13.1256303787231, 0.27047923207283, , , , , , , , 4.90078210830688, -0.386685878038406, 15.9979343414307, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC13H16N2O2%2Fc1-2-13%288-7-11%2816%2915-12%2813%2917%299-3-5-10%2814%296-4-9%2Fh3-6H%2C2%2C7-8%2C14H2%2C1H3%2C%28H%2C15%2C16%2C17%29, 11.7347545623779, 0.254607379436493, , , , , , , , 4.97002696990967, -0.347990542650223, 15.9959230422974, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC9H5I2NO%2Fc10-6-4-7%2811%299%2813%298-5%286%292-1-3-12-8%2Fh1-4%2C13H, 14.2837553024292, 0.158059298992157, , , , , , , , 6.85207748413086, -0.404673665761948, 126.905471801758, , , , 11.9962692260742, , , , , , , 
-InChI%3D1S%2FC20H26N2%2Fc1-20%282%2916-10-5-7-12-18%2816%2922%2815-9-14-21%283%294%2919-13-8-6-11-17%2819%2920%2Fh5-8%2C10-13H%2C9%2C14-15H2%2C1-4H3, 11.8785238265991, 0.181813552975655, , , , , , , , 5.71056270599365, -0.308936983346939, 14.0040941238403, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H18N6O5S2%2Fc1-23-18%2820-21-22-23%2931-8-10-7-30-16-11%2815%2827%2924%2816%2912%2810%2917%2828%2929%2919-14%2826%2913%2825%299-5-3-2-4-6-9%2Fh2-6%2C11%2C13%2C16%2C25H%2C7-8H2%2C1H3%2C%28H%2C19%2C26%29%28H%2C28%2C29%29%2Ft11%3F%2C13-%2C16-%2Fm1%2Fs1, 12.3037233352661, 0.302271634340286, , , , , , , , 4.97151517868042, -0.383629500865936, 31.9730739593506, , , , 11.9961633682251, , , , , , , 
-InChI%3D1S%2FC10H13NO4%2Fc1-10%2811%2C9%2814%2915%295-6-2-3-7%2812%298%2813%294-6%2Fh2-4%2C12-13H%2C5%2C11H2%2C1H3%2C%28H%2C14%2C15%29%2Ft10-%2Fm0%2Fs1, 9.49296760559082, 0.278834998607635, , , , , , , , 4.39979124069214, -0.383803129196167, 15.9979267120361, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H21NO%2Fc1-20%282%2913-7-11-17-16-9-4-3-8-15%2816%2914-21-19-12-6-5-10-18%2817%2919%2Fh3-6%2C8-12H%2C7%2C13-14H2%2C1-2H3, 11.7971963882446, 0.165859550237656, , , , , , , , 5.73823833465576, -0.369404703378677, 15.9949197769165, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H19N3O%2Fc1-13-5-7-14%288-6-13%2920%2812-17-18-9-10-19-17%2915-3-2-4-16%2821%2911-15%2Fh2-8%2C11%2C21H%2C9-10%2C12H2%2C1H3%2C%28H%2C18%2C19%29, 11.4119138717651, 0.185971081256866, , , , , , , , 5.10204887390137, -0.385689288377762, 15.9949207305908, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC24H31FO6%2Fc1-13-9-18-17-6-5-15-10-16%2827%297-8-21%2815%2C3%2923%2817%2C25%2919%2828%2911-22%2818%2C4%2924%2813%2C30%2920%2829%2912-31-14%282%2926%2Fh7-8%2C10%2C13%2C17-19%2C28%2C30H%2C5-6%2C9%2C11-12H2%2C1-4H3%2Ft13-%2C17-%2C18%3F%2C19-%2C21-%2C22-%2C23%3F%2C24-%2Fm0%2Fs1, 12.9434852600098, 0.258535653352737, , , , , , , , 3.8874340057373, -0.389635562896729, 18.9984092712402, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC3H9O6P%2Fc4-1-3%285%292-9-10%286%2C7%298%2Fh3-5H%2C1-2H2%2C%28H2%2C6%2C7%2C8%29, 6.24313068389893, 0.464716970920563, , , , , , , , 2.3405077457428, -0.393518090248108, 30.9745693206787, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC25H30NO3.ClH%2Fc27-24%2825%2828%2C19-9-3-1-4-10-19%2920-11-5-2-6-12-20%2929-23-17-21-13-14-22%2818-23%2926%2821%2915-7-8-16-26%3B%2Fh1-6%2C9-12%2C21-23%2C28H%2C7-8%2C13-18H2%3B1H%2Fq%2B1%3B%2Fp-1%2Ft21-%2C22%2B%2C23%2B%3B, 11.978964805603, 0.295136839151382, , , , , , , , 2.34299516677856, -0.377845793962479, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H22I3N3O8%2Fc1-6%2828%2915%2829%2923-14-12%2819%299%2816%2830%2921-7%282-24%293-25%2911%2818%2910%2813%2814%2920%2917%2831%2922-8%284-26%295-27%2Fh6-8%2C24-28H%2C2-5H2%2C1H3%2C%28H%2C21%2C30%29%28H%2C22%2C31%29%28H%2C23%2C29%29, 17.380392074585, 0.165599077939987, , , , , , , , 4.54890298843384, -0.394456773996353, 126.906509399414, , , , 11.9989023208618, , , , , , , 
-InChI%3D1S%2FC7H4ClNO2%2Fc8-4-1-2-6-5%283-4%299-7%2810%2911-6%2Fh1-3H%2C%28H%2C9%2C10%29, 8.63279438018799, 0.316801786422729, , , , , , , , 4.20193386077881, -0.346657752990723, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC15H15NO2%2Fc1-10-6-5-9-13%2811%2810%292%2916-14-8-4-3-7-12%2814%2915%2817%2918%2Fh3-9%2C16H%2C1-2H3%2C%28H%2C17%2C18%29, 10.0613346099854, 0.26853734254837, , , , , , , , 4.40532112121582, -0.331087589263916, 15.9959230422974, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC10H15NO.ClH%2Fc1-4-11%282%2C3%299-6-5-7-10%2812%298-9%3B%2Fh5-8H%2C4H2%2C1-3H3%3B1H, 10.2300691604614, 0.208873242139816, , , , , , , , 2.72999715805054, -0.341993510723114, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC4H13NO7P2%2Fc5-3-1-2-4%286%2C13%287%2C8%299%2914%2810%2C11%2912%2Fh6H%2C1-3%2C5H2%2C%28H2%2C7%2C8%2C9%29%28H2%2C10%2C11%2C12%29, 6.96401739120483, 0.372857987880707, , , , , , , , 3.01571869850159, -0.367480576038361, 30.9752521514893, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC21H21ClN4OS%2Fc22-17-13-18-15%2812-20%2827%2923-18%2911-14%2817%295-6-25-7-9-26%2810-8-25%2921-16-3-1-2-4-19%2816%2928-24-21%2Fh1-4%2C11%2C13H%2C5-10%2C12H2%2C%28H%2C23%2C27%29, 11.1044988632202, 0.194230780005455, , , , , , , , 4.99805688858032, -0.348328948020935, 34.9688529968262, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC16H20N2%2Fc1-18%282%2913-11-15%2814-8-4-3-5-9-14%2916-10-6-7-12-17-16%2Fh3-10%2C12%2C15H%2C11%2C13H2%2C1-2H3, 11.2307558059692, 0.127326011657715, , , , , , , , 5.81416416168213, -0.308936387300491, 14.0143566131592, , , , 11.9883317947388, , , , , , , 
-InChI%3D1S%2FC19H35N%2Fc1-3-9-16%2810-4-1%2919%2817-11-5-2-6-12-17%2915-18-13-7-8-14-20-18%2Fh16-20H%2C1-15H2, 11.8985691070557, 0.0567022934556007, , , , , , , , 6.90752840042114, -0.313299953937531, 14.0030832290649, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC20H22N4O10S%2Fc1-9%2825%2933-10%282%2934-19%2828%2915-11%287-32-20%2821%2929%298-35-18-14%2817%2827%2924%2815%2918%2922-16%2826%2913%2823-30-3%2912-5-4-6-31-12%2Fh4-6%2C10%2C14%2C18H%2C7-8H2%2C1-3H3%2C%28H2%2C21%2C29%29%28H%2C22%2C26%29%2Fb23-13-%2Ft10%3F%2C14%3F%2C18-%2Fm1%2Fs1, 12.0123996734619, 0.3071009516716, , , , , , , , 3.85737013816833, -0.398748487234116, 31.9720726013184, , , , 11.9936532974243, , , , , , , 
-InChI%3D1S%2FC2H6O3S2%2Fc3-7%284%2C5%292-1-6%2Fh6H%2C1-2H2%2C%28H%2C3%2C4%2C5%29, 9.3845043182373, 0.287182688713074, , , , , , , , 6.14018726348877, -0.306461423635483, 31.9735260009766, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC16H17N3O5S%2Fc1-7-6-25-15-11%2814%2822%2919%2815%2912%287%2916%2823%2924%2918-13%2821%2910%2817%298-2-4-9%2820%295-3-8%2Fh2-5%2C10-11%2C15%2C20H%2C6%2C17H2%2C1H3%2C%28H%2C18%2C21%29%28H%2C23%2C24%29%2Ft10-%2C11%3F%2C15-%2Fm1%2Fs1, 11.7527341842651, 0.302198857069016, , , , , , , , 4.69585418701172, -0.385811597108841, 31.9720726013184, , , , 11.9961776733398, , , , , , , 
-InChI%3D1S%2FC5H4N4O%2Fc10-5-3-1-8-9-4%283%296-2-7-5%2Fh1-2H%2C%28H2%2C6%2C7%2C8%2C9%2C10%29, 7.97656917572021, 0.285966694355011, , , , , , , , 4.8274941444397, -0.369216799736023, 15.9949178695679, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC6H12O6%2Fc7-1-2-3%288%294%289%295%2810%296%2811%2912-2%2Fh2-11H%2C1H2%2Ft2%3F%2C3-%2C4%3F%2C5%2B%2C6%3F%2Fm0%2Fs1, 7.79378175735474, 0.184563964605331, , , , , , , , 4.24525690078735, -0.410294264554977, 16.0007839202881, , , , 11.9963550567627, , , , , , , 
-InChI%3D1S%2FC8H15N3O7%2Fc1-11%2810-17%298%2816%299-4-6%2814%295%2813%293%282-12%2918-7%284%2915%2Fh3-7%2C12-15H%2C2H2%2C1H3%2C%28H%2C9%2C16%29%2Ft3%3F%2C4%3F%2C5-%2C6-%2C7%2B%2Fm1%2Fs1, 9.17891597747803, 0.236602157354355, , , , , , , , 3.27293038368225, -0.410327345132828, 16.0016536712646, , , , 11.9962921142578, , , , , , , 
-InChI%3D1S%2FC6H14O6%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-12H%2C1-2H2%2Ft3-%2C4%2B%2C5-%2C6-%2Fm1%2Fs1, 7.93495035171509, 0.11312997341156, , , , , , , , 4.13488912582397, -0.417780935764313, 16.0007839202881, , , , 11.9963550567627, , , , , , , 
-InChI%3D1S%2FC26H29N3O6%2Fc1-17-22%2825%2830%2934-4%2924%2820-11-8-12-21%2815-20%2929%2832%2933%2923%2818%282%2927-17%2926%2831%2935-14-13-28%283%2916-19-9-6-5-7-10-19%2Fh5-12%2C15%2C24%2C27H%2C13-14%2C16H2%2C1-4H3, 12.9529323577881, 0.292158424854279, , , , , , , , 3.78940200805664, -0.315651386976242, 15.9999628067017, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC13H14Cl2O3%2Fc1-12%282%2C11%2816%2917%2918-9-5-3-8%284-6-9%2910-7-13%2810%2C14%2915%2Fh3-6%2C10H%2C7H2%2C1-2H3%2C%28H%2C16%2C17%29, 10.3005342483521, 0.290754914283752, , , , , , , , 4.25966882705688, -0.3546222448349, 34.970157623291, , , , 11.9985208511353, , , , , , , 
-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, 11.9949417114258, 0.371299713850021, , , , , , , , 4.33389711380005, -0.348077178001404, 15.9969263076782, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC15H17N7O5S3%2Fc1-21-14%2818-19-20-21%2930-6-8-5-29-13-15%2827-2%2C17-9%2823%297-28-4-3-16%2912%2826%2922%2813%2910%288%2911%2824%2925%2Fh13H%2C4-7H2%2C1-2H3%2C%28H%2C17%2C23%29%28H%2C24%2C25%29%2Ft13-%2C15%3F%2Fm1%2Fs1, 12.5629892349243, 0.302040487527847, , , , , , , , 4.30127716064453, -0.371148526668549, 31.9740753173828, , , , 11.9961862564087, , , , , , , 
-InChI%3D1S%2FC21H29NO2%2Fc23-17-7-6-16-12-19-21%2824%299-2-1-8-20%2821%2C18%2816%2913-17%2910-11-22%2819%2914-15-4-3-5-15%2Fh6-7%2C13%2C15%2C19%2C23-24H%2C1-5%2C8-12%2C14H2%2Ft19-%2C20%2B%2C21-%2Fm1%2Fs1, 13.140585899353, 0.102056637406349, , , , , , , , 5.25834178924561, -0.387598723173141, 15.9959259033203, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC19H17ClF3NO4%2Fc1-12%2825%2924-10-11-27-18%2826%2917%2813-2-6-15%2820%297-3-13%2928-16-8-4-14%285-9-16%2919%2821%2C22%2923%2Fh2-9%2C17H%2C10-11H2%2C1H3%2C%28H%2C24%2C25%29, 10.225606918335, 0.396245628595352, , , , , , , , 3.50414824485779, -0.372540414333344, 34.9688529968262, , , , 11.9961566925049, , , , , , , 
-InChI%3D1S%2FC22H28N2O2%2Fc1-2-26-21%2825%2922%2819-6-4-3-5-7-19%2913-16-24%2817-14-22%2915-12-18-8-10-20%2823%2911-9-18%2Fh3-11H%2C2%2C12-17%2C23H2%2C1H3, 12.1299228668213, 0.268468528985977, , , , , , , , 5.07858753204346, -0.323093861341476, 15.9959278106689, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC15H22N2O4%2Fc1-19-12-7-10%288-13%2820-2%2914%2812%2921-3%2915%2818%2917-11-5-4-6-16-9-11%2Fh7-8%2C11%2C16H%2C4-6%2C9H2%2C1-3H3%2C%28H%2C17%2C18%29, 9.79254341125488, 0.16850683093071, , , , , , , , 5.02474975585938, -0.371872901916504, 15.9992952346802, , , , 11.9961862564087, , , , , , , 
-InChI%3D1S%2FC41H67NO15%2Fc1-19-17-41%2818-49-41%2938%2846%2923%285%2934%2853-27%289%2943%2921%283%2925%287%2952-39%2847%2924%286%2935%2856-32-16-31%2848-14%2936%2826%288%2951-32%2954-28%2810%2944%2922%284%2933%2819%2957-40-37%2855-29%2811%2945%2930%2842%2812%2913%2915-20%282%2950-40%2Fh19-26%2C30-37%2C40H%2C15-18H2%2C1-14H3%2Ft19-%2C20%2B%2C21-%2C22%2B%2C23%2B%2C24%2B%2C25%2B%2C26-%2C30-%2C31%3F%2C32-%2C33-%2C34-%2C35%3F%2C36-%2C37%2B%2C40%3F%2C41-%2Fm0%2Fs1, 12.0599966049194, 0.267839640378952, , , , , , , , 4.0428261756897, -0.378363251686096, 16.0090770721436, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC7H10N4O2S%2Fc8-5-1-3-6%284-2-5%2914%2812%2C13%2911-7%289%2910%2Fh1-4H%2C8H2%2C%28H4%2C9%2C10%2C11%29, 11.294942855835, 0.22600319981575, , , , , , , , 5.68312549591064, -0.322959452867508, 31.9720726013184, , , , 11.9935111999512, , , , , , , 
-InChI%3D1S%2FC31H48O6%2Fc1-17%282%299-8-10-20%2828%2835%2936%2926-22-15-24%2834%2927-29%285%2913-12-23%2833%2918%283%2921%2829%2911-14-30%2827%2C6%2931%2822%2C7%2916-25%2826%2937-19%284%2932%2Fh9%2C18%2C21-25%2C27%2C33-34H%2C8%2C10-16H2%2C1-7H3%2C%28H%2C35%2C36%29%2Fb26-20-%2Ft18-%2C21-%2C22-%2C23%2B%2C24%2B%2C25-%2C27-%2C29%3F%2C30-%2C31-%2Fm0%2Fs1, 14.1352968215942, 0.286777287721634, , , , , , , , 4.3215765953064, -0.393160492181778, 15.9999618530273, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC22H30O5%2Fc1-12-8-14-15-5-7-22%2827%2C18%2826%2911-23%2921%2815%2C3%2910-17%2825%2919%2814%2920%282%296-4-13%2824%299-16%2812%2920%2Fh4%2C6%2C9%2C12%2C14-15%2C17%2C19%2C23%2C25%2C27H%2C5%2C7-8%2C10-11H2%2C1-3H3%2Ft12-%2C14%3F%2C15-%2C17-%2C19%2B%2C20%3F%2C21%3F%2C22-%2Fm0%2Fs1, 13.1105251312256, 0.190024361014366, , , , , , , , 4.54278802871704, -0.392761141061783, 15.9989423751831, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC19H23NO2%2Fc1-14%282%2912-16-7-9-17%2810-8-16%2915%283%2919%2821%2922-13-18-6-4-5-11-20-18%2Fh4-11%2C14-15H%2C12-13H2%2C1-3H3, 9.61492538452148, 0.265042006969452, , , , , , , , 4.9237642288208, -0.313432067632675, 15.995924949646, , , , 11.9882955551147, , , , , , , 
-InChI%3D1S%2FC20H17FO3S%2Fc1-12-17%289-13-3-6-15%287-4-13%2925%282%2924%2916-8-5-14%2821%2910-19%2816%2918%2812%2911-20%2822%2923%2Fh3-10H%2C11H2%2C1-2H3%2C%28H%2C22%2C23%29, 11.8014268875122, 0.262723803520203, , , , , , , , 4.24132537841797, -0.331487774848938, 31.9720726013184, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC25H36O3%2Fc1-3-4-5-6-7-24%2827%2928-23-13-12-22-21-10-8-17-16-18%2826%299-11-19%2817%2920%2821%2914-15-25%2822%2C23%292%2Fh9%2C11%2C16%2C20-23%2C26H%2C3-8%2C10%2C12-15H2%2C1-2H3%2Ft20-%2C21%3F%2C22%2B%2C23%2B%2C25%2B%2Fm1%2Fs1, 11.8686113357544, 0.261837512254715, , , , , , , , 4.76229047775269, -0.385756880044937, 15.9969339370728, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC16H23NO%2Fc1-16-8-4-2-3-5-12%2815%2816%2917%299-11-6-7-13%2818%2910-14%2811%2916%2Fh6-7%2C10%2C12%2C15%2C18H%2C2-5%2C8-9%2C17H2%2C1H3%2Ft12%3F%2C15-%2C16%2B%2Fm0%2Fs1, 12.2846307754517, 0.210848897695541, , , , , , , , 5.20484685897827, -0.38573157787323, 15.9949188232422, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H26N2O4%2Fc1-3-12-20%2813-4-2%2918%2824%2915%2810-11-16%2821%2922%2919-17%2823%2914-8-6-5-7-9-14%2Fh5-9%2C15H%2C3-4%2C10-13H2%2C1-2H3%2C%28H%2C19%2C23%29%28H%2C21%2C22%29, 10.4696826934814, 0.259079396724701, , , , , , , , 3.91192698478699, -0.347918033599854, 15.9979372024536, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC47H74O19%2Fc1-20-41%2864-36-16-30%2850%2942%2821%282%2960-36%2965-37-17-31%2851%2943%2822%283%2961-37%2966-44-40%2856%2939%2855%2938%2854%2932%2818-48%2963-44%2929%2849%2915-35%2859-20%2962-25-8-10-45%284%2924%2813-25%296-7-27-28%2845%2914-33%2852%2946%285%2926%289-11-47%2827%2C46%2957%2923-12-34%2853%2958-19-23%2Fh12%2C20-22%2C24-33%2C35-44%2C48-52%2C54-57H%2C6-11%2C13-19H2%2C1-5H3%2Ft20-%2C21-%2C22-%2C24-%2C25%2B%2C26-%2C27-%2C28%2B%2C29%2B%2C30%2B%2C31%2B%2C32%3F%2C33-%2C35%2B%2C36%2B%2C37%2B%2C38-%2C39%2B%2C40-%2C41%3F%2C42%3F%2C43%3F%2C44%3F%2C45%3F%2C46%2B%2C47%3F%2Fm1%2Fs1, 13.072416305542, 0.286586374044418, , , , , , , , 4.26027631759644, -0.41043159365654, 16.0133876800537, , , , 11.9960842132568, , , , , , , 
-InChI%3D1S%2FC14H19NO2%2Fc1-17-14%2816%2913%2811-7-3-2-4-8-11%2912-9-5-6-10-15-12%2Fh2-4%2C7-8%2C12-13%2C15H%2C5-6%2C9-10H2%2C1H3, 10.8809442520142, 0.266512125730515, , , , , , , , 4.89371013641357, -0.31888347864151, 15.9959230422974, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H18N2O%2Fc1-12%282%2920-16-11-13%283%299-10-15%2816%2917%2819-18%2820%2921%2914-7-5-4-6-8-14%2Fh4-12H%2C1-3H3, 11.2440013885498, 0.275885939598083, , , , , , , , 5.41242122650146, -0.261408656835556, 15.9949197769165, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC27H38O6%2Fc1-24%282%2C3%2914-22%2831%2933-15-21%2830%2927%2832%2911-9-19-18-7-6-16-12-17%2828%298-10-25%2816%2C4%2923%2818%2920%2829%2913-26%2819%2C27%295%2Fh8%2C10%2C12%2C18-20%2C23%2C29%2C32H%2C6-7%2C9%2C11%2C13-15H2%2C1-5H3%2Ft18%3F%2C19-%2C20-%2C23%2B%2C25%3F%2C26-%2C27-%2Fm0%2Fs1, 12.8072280883789, 0.262194007635117, , , , , , , , 4.65389585494995, -0.392618983983994, 15.9999551773071, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC19H32N2O5%2Fc1-4-8-14%2819%2825%2926-5-2%2920-12%283%2917%2822%2921-15-10-7-6-9-13%2815%2911-16%2821%2918%2823%2924%2Fh12-16%2C20H%2C4-11H2%2C1-3H3%2C%28H%2C23%2C24%29%2Ft12-%2C13-%2C14-%2C15%3F%2C16-%2Fm0%2Fs1, 11.0606956481934, 0.279275119304657, , , , , , , , 4.55225706100464, -0.330466896295547, 15.9989433288574, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC19H25NO2%2Fc1-14%288-9-16-6-4-3-5-7-16%2920-15%282%2919%2822%2917-10-12-18%2821%2913-11-17%2Fh3-7%2C10-15%2C19-22H%2C8-9H2%2C1-2H3, 9.65702152252197, 0.12841634452343, , , , , , , , 4.78864002227783, -0.390534251928329, 15.995924949646, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H23NO4%2Fc1-18%2821%2913-7-8-14%2818%2910-15%289-13%2922-17%2820%2916%2811-19%2912-5-3-2-4-6-12%2Fh2-6%2C13-16%2C19H%2C7-11H2%2C1H3%2Ft13-%2C14-%2C15-%2C16%3F%2C18-%2Fm1%2Fs1, 9.80990505218506, 0.267489016056061, , , , , , , , 4.75052309036255, -0.395268648862839, 15.9979333877563, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC11H16ClN5%2Fc1-7%282%2915-10%2813%2917-11%2814%2916-9-5-3-8%2812%294-6-9%2Fh3-7H%2C1-2H3%2C%28H5%2C13%2C14%2C15%2C16%2C17%29, 9.16142749786377, 0.174120351672173, , , , , , , , 5.76342344284058, -0.279530853033066, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC10H12N2O3%2Fc1-3-5-10%286-4-2%297%2813%2911-9%2815%2912-8%2810%2914%2Fh3-4H%2C1-2%2C5-6H2%2C%28H2%2C11%2C12%2C13%2C14%2C15%29, 11.5225038528442, 0.37129157781601, , , , , , , , 4.30436944961548, -0.369939565658569, 15.998706817627, , , , 11.9962491989136, , , , , , , 
-InChI%3D1S%2FC8H13N3O4S%2Fc1-3-16%2814%2C15%295-4-10-7%282%299-6-8%2810%2911%2812%2913%2Fh6H%2C3-5H2%2C1-2H3, 10.1578845977783, 0.239135727286339, , , , , , , , 3.62221264839172, -0.268954783678055, 31.9720726013184, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC10H17N3S%2Fc1-2-5-12-7-3-4-8-9%286-7%2914-10%2811%2913-8%2Fh7%2C12H%2C2-6H2%2C1H3%2C%28H2%2C11%2C13%29, 11.3744583129883, 0.133578985929489, , , , , , , , 5.24105978012085, -0.313673317432404, 31.9720726013184, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC10H15N5%2Fc11-9%2812%2915-10%2813%2914-7-6-8-4-2-1-3-5-8%2Fh1-5H%2C6-7H2%2C%28H6%2C11%2C12%2C13%2C14%2C15%29, 8.79081535339355, 0.151834309101105, , , , , , , , 5.097008228302, -0.279642224311829, 14.0070991516113, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC21H36NO.ClH%2Fc1-4-22%285-2%2C6-3%2918-17-21%2823%2C19-13-9-7-10-14-19%2920-15-11-8-12-16-20%3B%2Fh7%2C9-10%2C13-14%2C20%2C23H%2C4-6%2C8%2C11-12%2C15-18H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, 12.3815383911133, 0.146849110722542, , , , , , , , 2.34299612045288, -0.388386458158493, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC20H24N.CH4O4S%2Fc1-21%282%2915-13-19%2814-16-21%2920%2817-9-5-3-6-10-17%2918-11-7-4-8-12-18%3B1-5-6%282%2C3%294%2Fh3-12H%2C13-16H2%2C1-2H3%3B1H3%2C%28H%2C2%2C3%2C4%29%2Fq%2B1%3B%2Fp-1, 12.3686952590942, 0.483921349048615, , , , , , , , 5.0399808883667, -0.375082165002823, 31.9720726013184, , , , 11.9942903518677, , , , , , , 
-InChI%3D1S%2FC18H13ClFN3%2Fc1-11-21-9-13-10-22-18%2814-4-2-3-5-16%2814%2920%2915-8-12%2819%296-7-17%2815%2923%2811%2913%2Fh2-9H%2C10H2%2C1H3, 11.8816061019897, 0.189813986420631, , , , , , , , 4.90799045562744, -0.289994299411774, 34.9688529968262, , , , 11.997386932373, , , , , , , 
-InChI%3D1S%2FC4H6N4O3S2%2Fc1-2%289%296-3-7-8-4%2812-3%2913%285%2C10%2911%2Fh1H3%2C%28H2%2C5%2C10%2C11%29%28H%2C6%2C7%2C9%29, 12.1701288223267, 0.2632797062397, , , , , , , , 4.95346021652222, -0.372270941734314, 31.973072052002, , , , 11.9964609146118, , , , , , , 
-InChI%3D1S%2FC22H28O3%2Fc1-4-22%2825-14%282%2923%2912-10-20-19-7-5-15-13-16%2824%296-8-17%2815%2918%2819%299-11-21%2820%2C22%293%2Fh1%2C13%2C17-20H%2C5-12H2%2C2-3H3%2Ft17-%2C18%2B%2C19%3F%2C20-%2C21-%2C22-%2Fm0%2Fs1, 12.5465898513794, 0.302703648805618, , , , , , , , 4.35792207717896, -0.296237677335739, 15.9969310760498, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC27H30Cl2O6%2Fc1-15-11-19-18-7-6-16-12-17%2830%298-9-24%2816%2C2%2926%2818%2C29%2921%2831%2913-25%2819%2C3%2927%2815%2C22%2832%2914-28%2935-23%2833%2920-5-4-10-34-20%2Fh4-5%2C8-10%2C12%2C15%2C18-19%2C21%2C31H%2C6-7%2C11%2C13-14H2%2C1-3H3%2Ft15-%2C18%2B%2C19%2B%2C21%2B%2C24%2B%2C25%3F%2C26%2B%2C27%2B%2Fm1%2Fs1, 14.6840190887451, 0.29861381649971, , , , , , , , 4.97212696075439, -0.390516996383667, 34.969856262207, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC23H30O3%2Fc1-8-26-23%2824%2914-17%283%2911-9-10-16%282%2912-13-21-18%284%2915-22%2825-7%2920%286%2919%2821%295%2Fh9-15H%2C8H2%2C1-7H3, 10.860466003418, 0.286259561777115, , , , , , , , 4.47848224639893, -0.373617231845856, 15.9969320297241, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC9H5Cl2NO%2Fc10-6-4-7%2811%299%2813%298-5%286%292-1-3-12-8%2Fh1-4%2C13H, 10.0391502380371, 0.169367596507072, , , , , , , , 5.77399110794067, -0.403642296791077, 34.9698524475098, , , , 11.9962692260742, , , , , , , 
-InChI%3D1S%2FC29H34O6%2Fc1-2-32-29-26%2830%2928%2834-20-24-16-10-5-11-17-24%2927%2835-29%2925%2833-19-23-14-8-4-9-15-23%2921-31-18-22-12-6-3-7-13-22%2Fh3-17%2C25-30H%2C2%2C18-21H2%2C1H3%2Ft25%3F%2C26%3F%2C27-%2C28-%2C29-%2Fm1%2Fs1, 10.1216888427734, 0.187292143702507, , , , , , , , 4.95972776412964, -0.407014489173889, 16.0008163452148, , , , 11.9961166381836, , , , , , , 
-InChI%3D1S%2FC27H33N3O8%2Fc1-26%2837%2913-7-6-8-16%2831%2917%2813%2921%2832%2918-14%2826%2911-15-20%2829%282%293%2922%2833%2919%2824%2835%2927%2815%2C38%2923%2818%2934%2925%2836%2928-12-30-9-4-5-10-30%2Fh6-8%2C14-15%2C20%2C31%2C33-34%2C37-38H%2C4-5%2C9-12H2%2C1-3H3%2C%28H%2C28%2C36%29%2Ft14%3F%2C15-%2C20%3F%2C26%2B%2C27%3F%2Fm0%2Fs1, 12.7082977294922, 0.207807958126068, , , , , , , , 5.69335174560547, -0.389229983091354, 16.0025901794434, , , , 11.9961223602295, , , , , , , 
-InChI%3D1S%2FC16H10ClNO2S%2Fc17-12-8-6-10%287-9-12%2913-14%2816%2819%2920%2921-15%2818-13%2911-4-2-1-3-5-11%2Fh1-9H%2C%28H%2C19%2C20%29, 11.8997507095337, 0.279328763484955, , , , , , , , 5.0078706741333, -0.330411106348038, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC16H14ClN3O%2Fc1-18-15-10-20%2821%2916%2811-5-3-2-4-6-11%2913-9-12%2817%297-8-14%2813%2919-15%2Fh2-9H%2C10H2%2C1H3%2C%28H%2C18%2C19%29, 11.5671195983887, 0.156038150191307, , , , , , , , 5.4977593421936, -0.279070794582367, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC12H15NO3%2Fc1-8-3-9%282%295-10%284-8%2915-7-11-6-13-12%2814%2916-11%2Fh3-5%2C11H%2C6-7H2%2C1-2H3%2C%28H%2C13%2C14%29, 8.63468837738037, 0.278847545385361, , , , , , , , 4.33054304122925, -0.368288546800613, 15.9969253540039, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H18N6O5S2%2Fc19-12%288-1-3-10%2825%294-2-8%2915%2826%2921-13-16%2827%2924-14%2818%2828%2929%299%287-31-17%2813%2924%296-30-11-5-20-23-22-11%2Fh1-5%2C12-13%2C17%2C25H%2C6-7%2C19H2%2C%28H%2C21%2C26%29%28H%2C28%2C29%29%28H%2C20%2C22%2C23%29%2Ft12-%2C13%3F%2C17-%2Fm1%2Fs1, 12.1854524612427, 0.30226594209671, , , , , , , , 4.80311346054077, -0.385824680328369, 31.9730739593506, , , , 11.9961633682251, , , , , , , 
-InChI%3D1S%2FC13H20N2O2%2Fc16-11-13%2817%2910-14-6-8-15%289-7-14%2912-4-2-1-3-5-12%2Fh1-5%2C13%2C16-17H%2C6-11H2%2Ft13-%2Fm0%2Fs1, 9.60421180725098, 0.170565873384476, , , , , , , , 4.1608943939209, -0.393295615911484, 15.9959230422974, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC14H19N5O4%2Fc1-9%2820%2922-6-11%287-23-10%282%2921%293-4-19-8-17-12-5-16-14%2815%2918-13%2812%2919%2Fh5%2C8%2C11H%2C3-4%2C6-7H2%2C1-2H3%2C%28H2%2C15%2C16%2C18%29, 9.31692314147949, 0.274861067533493, , , , , , , , 3.8573272228241, -0.316453039646149, 15.9979391098022, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC21H25N%2Fc1-21%282%2C3%2915-8-5-9-16-22%284%2917-19-13-10-12-18-11-6-7-14-20%2818%2919%2Fh5-7%2C9-14H%2C16-17H2%2C1-4H3, 10.3181762695312, 0.14364393055439, , , , , , , , 6.28786611557007, -0.30120313167572, 14.0030851364136, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC27H37FO6%2Fc1-5-6-7-23%2832%2934-15-22%2831%2927%2833%2916%282%2912-20-19-9-8-17-13-18%2829%2910-11-24%2817%2C3%2926%2819%2C28%2921%2830%2914-25%2820%2C27%294%2Fh10-11%2C13%2C16%2C19-21%2C30%2C33H%2C5-9%2C12%2C14-15H2%2C1-4H3%2Ft16-%2C19%2B%2C20%3F%2C21%2B%2C24%2B%2C25%2B%2C26%3F%2C27%2B%2Fm1%2Fs1, 12.977858543396, 0.261682957410812, , , , , , , , 4.43758630752563, -0.389641284942627, 18.9984092712402, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC48H74O14%2Fc1-11-25%282%2943-28%285%2917-18-47%2862-43%2923-34-20-33%2861-47%2916-15-27%284%2942%2826%283%2913-12-14-32-24-55-45-40%2849%2929%286%2919-35%2846%2851%2958-34%2948%2832%2C45%2952%2959-39-22-37%2854-10%2944%2831%288%2957-39%2960-38-21-36%2853-9%2941%2850%2930%287%2956-38%2Fh12-15%2C19%2C25-26%2C28%2C30-31%2C33-45%2C49-50%2C52H%2C11%2C16-18%2C20-24H2%2C1-10H3%2Fb13-12%2B%2C27-15%2B%2C32-14%2B%2Ft25-%2C26-%2C28-%2C30-%2C31-%2C33%2B%2C34-%2C35-%2C36-%2C37%3F%2C38-%2C39-%2C40%2B%2C41-%2C42-%2C43%2B%2C44-%2C45%2B%2C47%2B%2C48%3F%2Fm0%2Fs1, 12.1658611297607, 0.272006213665009, , , , , , , , 4.93288660049438, -0.388050466775894, 16.0083522796631, , , , 11.9965944290161, , , , , , , 
-InChI%3D1S%2FC16H16N4O%2Fc17-15%2818%2912-5-2-10%283-6-12%291-4-11-7-8-13%2816%2819%2920%299-14%2811%2921%2Fh1-9%2C21H%2C%28H3%2C17%2C18%29%28H3%2C19%2C20%29, 9.65671157836914, 0.110983662307262, , , , , , , , 5.45999717712402, -0.385085910558701, 15.9949207305908, , , , 11.9933309555054, , , , , , , 
-InChI%3D1S%2FC18H18N6O8S3%2Fc25-13%289-4-2-1-3-5-9%2914%2826%2919-11-15%2827%2924-12%2817%2828%2929%2910%286-33-16%2811%2924%297-34-18-20-21-22-23%2818%298-35%2830%2C31%2932%2Fh1-5%2C11%2C13%2C16%2C25H%2C6-8H2%2C%28H%2C19%2C26%29%28H%2C28%2C29%29%28H%2C30%2C31%2C32%29%2Ft11%3F%2C13-%2C16-%2Fm1%2Fs1, 12.4290914535522, 0.302345991134644, , , , , , , , 4.98718500137329, -0.383632272481918, 31.9740753173828, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC15H13NO3%2Fc1-9%2815%2817%2918%2910-4-5-13-12%287-10%298-11-3-2-6-16-14%2811%2919-13%2Fh2-7%2C9H%2C8H2%2C1H3%2C%28H%2C17%2C18%29, 9.80571460723877, 0.262382656335831, , , , , , , , 4.28654050827026, -0.343093305826187, 15.9969272613525, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC13H17N5O8S2%2Fc1-5-7%2810%2820%2918%285%2928%2823%2C24%2925%2916-9%2819%298%286-4-27-12%2814%2915-6%2917-26-13%282%2C3%2911%2821%2922%2Fh4-5%2C7H%2C1-3H3%2C%28H2%2C14%2C15%29%28H%2C16%2C19%29%28H%2C21%2C22%29%28H%2C23%2C24%2C25%29%2Fb17-8-%2Ft5-%2C7%3F%2Fm0%2Fs1, 11.0251359939575, 0.343400478363037, , , , , , , , 4.24073553085327, -0.365477055311203, 31.9730739593506, , , , 11.9962062835693, , , , , , , 
-InChI%3D1S%2FC15H10BrClN4S%2Fc1-8-19-20-13-7-18-14%289-4-2-3-5-11%289%2917%2910-6-12%2816%2922-15%2810%2921%288%2913%2Fh2-6H%2C7H2%2C1H3, 13.6521797180176, 0.165865823626518, , , , , , , , 6.74583530426025, -0.288477718830109, 78.9183349609375, , , , 11.9985160827637, , , , , , , 
-InChI%3D1S%2FC23H28ClN3O2S%2Fc1-18%2828%2929-16-15-26-13-11-25%2812-14-26%299-4-10-27-20-5-2-3-6-22%2820%2930-23-8-7-19%2824%2917-21%2823%2927%2Fh2-3%2C5-8%2C17H%2C4%2C9-16H2%2C1H3, 12.1219530105591, 0.258482933044434, , , , , , , , 3.76542901992798, -0.327692925930023, 34.9688529968262, , , , 11.9942779541016, , , , , , , 
-InChI%3D1S%2FC21H25N3O2S%2Fc25-14-16-26-15-13-23-9-11-24%2812-10-23%2921-17-5-1-3-7-19%2817%2927-20-8-4-2-6-18%2820%2922-21%2Fh1-8%2C25H%2C9-16H2, 12.5010299682617, 0.20321761071682, , , , , , , , 3.78148603439331, -0.393501818180084, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC23H30O6%2Fc1-13%2824%2929-12-19%2827%2923%2828%299-7-17-16-5-4-14-10-15%2825%296-8-21%2814%2C2%2920%2816%2918%2826%2911-22%2817%2C23%293%2Fh6%2C8%2C10%2C16-18%2C20%2C26%2C28H%2C4-5%2C7%2C9%2C11-12H2%2C1-3H3%2Ft16%3F%2C17-%2C18-%2C20%2B%2C21-%2C22%3F%2C23-%2Fm0%2Fs1, 12.8041543960571, 0.258518427610397, , , , , , , , 3.86796379089355, -0.392611026763916, 15.9999494552612, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC12H21N5O2S2%2Fc1-13-11%286-17%2818%2919%2914-4-5-20-8-10-9-21-12%2815-10%297-16%282%293%2Fh6%2C9%2C13-14H%2C4-5%2C7-8H2%2C1-3H3, 10.7918930053711, 0.145302847027779, , , , , , , , 3.48286533355713, -0.306228697299957, 31.9730739593506, , , , 11.9883947372437, , , , , , , 
-InChI%3D1S%2FC21H28O5%2Fc1-20-7-6-13%2824%298-12%2820%292-3-14-15-4-5-16%2818%2826%2910-22%2921%2815%2C11-23%299-17%2825%2919%2814%2920%2Fh8%2C11%2C14-17%2C19%2C22%2C25H%2C2-7%2C9-10H2%2C1H3%2Ft14%3F%2C15-%2C16-%2C17-%2C19%2B%2C20-%2C21%3F%2Fm0%2Fs1, 12.6220169067383, 0.212836235761642, , , , , , , , 4.4877142906189, -0.392751544713974, 16.0064525604248, , , , 11.9884061813354, , , , , , , 
-InChI%3D1S%2FC32H24N6O6S2.2Na%2Fc33-31-25-7-3-1-5-23%2825%2929%2845%2839%2C40%2941%2917-27%2831%2937-35-21-13-9-19%2810-14-21%2920-11-15-22%2816-12-20%2936-38-28-18-30%2846%2842%2C43%2944%2924-6-2-4-8-26%2824%2932%2828%2934%3B%3B%2Fh1-18H%2C33-34H2%2C%28H%2C39%2C40%2C41%29%28H%2C42%2C43%2C44%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb37-35%2B%2C38-36%2B%3B%3B, 12.1532125473022, 0.376684635877609, , , , , , , , -0.00100000004749745, -0.321705520153046, 31.9735298156738, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC49H76O20%2Fc1-21-43%2867-38-17-32%2853%2944%2822%282%2962-38%2968-39-18-33%2864-24%284%2951%2945%2823%283%2963-39%2969-46-42%2858%2941%2857%2940%2856%2934%2819-50%2966-46%2931%2852%2916-37%2861-21%2965-27-9-11-47%285%2926%2814-27%297-8-29-30%2847%2915-35%2854%2948%286%2928%2810-12-49%2829%2C48%2959%2925-13-36%2855%2960-20-25%2Fh13%2C21-23%2C26-35%2C37-46%2C50%2C52-54%2C56-59H%2C7-12%2C14-20H2%2C1-6H3%2Ft21-%2C22-%2C23-%2C26-%2C27%2B%2C28-%2C29-%2C30%2B%2C31%2B%2C32%3F%2C33%2B%2C34%3F%2C35-%2C37%2B%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42-%2C43%3F%2C44%3F%2C45%3F%2C46%2B%2C47%3F%2C48%2B%2C49%3F%2Fm1%2Fs1, 13.0724182128906, 0.286660254001617, , , , , , , , 4.11607217788696, -0.41042497754097, 16.0143985748291, , , , 11.9960823059082, , , , , , , 
-InChI%3D1S%2FC6H12O6%2Fc7-1-2-3%288%294%289%295%2810%296%2811%2912-2%2Fh2-11H%2C1H2%2Ft2%3F%2C3-%2C4%3F%2C5-%2C6%3F%2Fm1%2Fs1, 7.79378175735474, 0.184563964605331, , , , , , , , 4.24525690078735, -0.410294264554977, 16.0007839202881, , , , 11.9963550567627, , , , , , , 
-InChI%3D1S%2FC35H42N2O11%2Fc1-7-46-35%2840%2948-31-26%2842-3%2912-18%2813-27%2831%2943-4%2933%2838%2947-28-14-19-17-37-11-10-22-21-9-8-20%2841-2%2915-24%2821%2936-30%2822%2925%2837%2916-23%2819%2929%2832%2828%2944-5%2934%2839%2945-6%2Fh8-9%2C12-13%2C15%2C19%2C23%2C25%2C28-29%2C32%2C36H%2C7%2C10-11%2C14%2C16-17H2%2C1-6H3%2Ft19%3F%2C23-%2C25%2B%2C28%3F%2C29-%2C32-%2Fm0%2Fs1, 11.6706848144531, 0.406666338443756, , , , , , , , 4.13964986801147, -0.404689073562622, 16.0054473876953, , , , 11.9961023330688, , , , , , , 
-InChI%3D1S%2FC26H36O3%2Fc1-26-15-14-21-20-10-8-19%2827%2916-18%2820%297-9-22%2821%2923%2826%2911-12-24%2826%2929-25%2828%2913-6-17-4-2-3-5-17%2Fh8%2C10%2C16-17%2C21-24%2C27H%2C2-7%2C9%2C11-15H2%2C1H3%2Ft21-%2C22%3F%2C23%2B%2C24%2B%2C26%3F%2Fm1%2Fs1, 11.8871231079102, 0.261880129575729, , , , , , , , 4.84843969345093, -0.385759264230728, 15.9969339370728, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC7H17NO5%2Fc1-8-2-4%2810%296%2812%297%2813%295%2811%293-9%2Fh4-13H%2C2-3H2%2C1H3%2Ft4-%2C5%2B%2C6%2B%2C7%2B%2Fm0%2Fs1, 8.24601554870605, 0.112436346709728, , , , , , , , 4.15459060668945, -0.417769312858582, 15.9999914169312, , , , 11.996319770813, , , , , , , 
-InChI%3D1S%2FC9H11N3O4%2Fc10-5-1-2-12-8-7%2816-9%2812%2911-5%296%2814%294%283-13%2915-8%2Fh1-2%2C4%2C6-8%2C10%2C13-14H%2C3H2%2Ft4%3F%2C6-%2C7%3F%2C8-%2Fm1%2Fs1, 9.19286155700684, 0.174335390329361, , , , , , , , 4.285484790802, -0.410142123699188, 15.9992923736572, , , , 11.9962682723999, , , , , , , 
-InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29, 8.72513389587402, 0.344364374876022, , , , , , , , 4.2667441368103, -0.318349599838257, 34.9698524475098, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC4H11NO3%2Fc5-4%281-6%2C2-7%293-8%2Fh6-8H%2C1-3%2C5H2, 8.18025302886963, 0.0914554819464684, , , , , , , , 4.33694553375244, -0.418687403202057, 15.9987020492554, , , , 11.9964609146118, , , , , , , 
-InChI%3D1S%2FC9H8N2O2%2Fc10-9-11-8%2812%297%2813-9%296-4-2-1-3-5-6%2Fh1-5%2C7H%2C%28H2%2C10%2C11%2C12%29, 9.1297025680542, 0.262834668159485, , , , , , , , 4.94595193862915, -0.368213295936584, 15.9982614517212, , , , 11.9962682723999, , , , , , , 
-InChI%3D1S%2FC24H36O3%2Fc1-6-7-8-9-12-23%282%2C3%2916-13-20%2826%2922-18-15-17%2825%2910-11-19%2818%2924%284%2C5%2927-21%2822%2914-16%2Fh13-14%2C18-19%2C26H%2C6-12%2C15H2%2C1-5H3%2Ft18-%2C19%3F%2Fm1%2Fs1, 11.3952713012695, 0.133315548300743, , , , , , , , 4.792160987854, -0.385634869337082, 15.9969329833984, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC15H15NO2S%2Fc16-14%2817%2911-19%2818%2915%2812-7-3-1-4-8-12%2913-9-5-2-6-10-13%2Fh1-10%2C15H%2C11H2%2C%28H2%2C16%2C17%29, 13.6160039901733, 0.14496847987175, , , , , , , , 5.33532571792603, -0.348008632659912, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC29H38F3N3O2S%2Fc1-2-3-4-5-11-28%2836%2937-21-20-34-18-16-33%2817-19-34%2914-8-15-35-24-9-6-7-10-26%2824%2938-27-13-12-23%2822-25%2827%2935%2929%2830%2C31%2932%2Fh6-7%2C9-10%2C12-13%2C22H%2C2-5%2C8%2C11%2C14-21H2%2C1H3, 12.0177221298218, 0.396324336528778, , , , , , , , 3.75944709777832, -0.327702164649963, 31.9720726013184, , , , 11.9942493438721, , , , , , , 
-InChI%3D1S%2FC15H14ClN3O4S3%2Fc16-11-6-12-14%287-13%2811%2925%2817%2C20%2921%2926%2822%2C23%2919-15%2818-12%299-24-8-10-4-2-1-3-5-10%2Fh1-7H%2C8-9H2%2C%28H%2C18%2C19%29%28H2%2C17%2C20%2C21%29, 12.9721031188965, 0.245324522256851, , , , , , , , 6.69282007217407, -0.264397144317627, 34.9688529968262, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC6H18N4%2Fc7-1-3-9-5-6-10-4-2-8%2Fh9-10H%2C1-8H2, 7.12459230422974, 0.0388853028416634, , , , , , , , 4.70462465286255, -0.361752301454544, 14.0098075866699, , , , 11.9935503005981, , , , , , , 
-InChI%3D1S%2FC10H14N2O5%2Fc1-5-3-12%2810%2816%2911-9%285%2915%298-2-6%2814%297%284-13%2917-8%2Fh3%2C6-8%2C13-14H%2C2%2C4H2%2C1H3%2C%28H%2C11%2C15%2C16%29%2Ft6-%2C7%3F%2C8%2B%2Fm0%2Fs1, 9.54210472106934, 0.350971460342407, , , , , , , , 4.28643560409546, -0.39331516623497, 16.0064487457275, , , , 11.9885759353638, , , , , , , 
-InChI%3D1S%2FC10H12O3%2Fc1-2-7-13-10%2812%298-3-5-9%2811%296-4-8%2Fh3-6%2C11H%2C2%2C7H2%2C1H3, 8.52724266052246, 0.269447267055511, , , , , , , , 4.60718822479248, -0.385729491710663, 15.996922492981, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC23H27N5O7S%2Fc1-4-26-10-11-27%2819%2832%2918%2826%2931%2922%2835%2925-13%2812-8-6-5-7-9-12%2916%2829%2924-14-17%2830%2928-15%2821%2833%2934%2923%282%2C3%2936-20%2814%2928%2Fh5-9%2C13-15%2C20H%2C4%2C10-11H2%2C1-3H3%2C%28H%2C24%2C29%29%28H%2C25%2C35%29%28H%2C33%2C34%29%2Ft13-%2C14%3F%2C15%2B%2C20-%2Fm1%2Fs1, 12.11159324646, 0.356797337532043, , , , , , , , 4.78378057479858, -0.346874803304672, 31.9720726013184, , , , 11.9883871078491, , , , , , , 
-InChI%3D1S%2FC9H13N%2Fc1-8%2810%297-9-5-3-2-4-6-9%2Fh2-6%2C8H%2C7%2C10H2%2C1H3, 8.73444271087646, 0.129019856452942, , , , , , , , 5.55503845214844, -0.327511936426163, 14.0030784606934, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H20N2O5S%2Fc1-2-3-9-19-14-10-12%2817%2820%2921%2911-15%2825%2818%2C22%2923%2916%2814%2924-13-7-5-4-6-8-13%2Fh4-8%2C10-11%2C19H%2C2-3%2C9H2%2C1H3%2C%28H%2C20%2C21%29%28H2%2C18%2C22%2C23%29, 12.5698432922363, 0.286623328924179, , , , , , , , 4.51825284957886, -0.357591480016708, 31.9720726013184, , , , 11.9961700439453, , , , , , , 
-InChI%3D1S%2FC47H72O14%2Fc1-24%282%2941-27%285%2916-17-46%2861-41%2922-33-19-32%2860-46%2915-14-26%284%2942%2825%283%2912-11-13-31-23-54-44-39%2848%2928%286%2918-34%2845%2850%2957-33%2947%2831%2C44%2951%2958-38-21-36%2853-10%2943%2830%288%2956-38%2959-37-20-35%2852-9%2940%2849%2929%287%2955-37%2Fh11-14%2C18%2C24-25%2C27%2C29-30%2C32-44%2C48-49%2C51H%2C15-17%2C19-23H2%2C1-10H3%2Fb12-11%2B%2C26-14%2B%2C31-13%2B%2Ft25-%2C27-%2C29-%2C30-%2C32%2B%2C33-%2C34-%2C35-%2C36%3F%2C37-%2C38-%2C39%2B%2C40-%2C41%2B%2C42-%2C43-%2C44%2B%2C46%2B%2C47%3F%2Fm0%2Fs1, 12.1646318435669, 0.27199798822403, , , , , , , , 4.93288660049438, -0.38804903626442, 16.0080814361572, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC4H9NO%2Fc1-4%286%295%282%293%2Fh1-3H3, 6.8215012550354, 0.198758065700531, , , , , , , , 4.03149700164795, -0.293289512395859, 15.9949159622192, , , , 11.9936571121216, , , , , , , 
-InChI%3D1S%2FC18H26O5%2Fc1-12-6-5-9-14%2819%298-4-2-3-7-13-10-15%2820%2911-16%2821%2917%2813%2918%2822%2923-12%2Fh10-12%2C14%2C19-21H%2C2-9H2%2C1H3%2Ft12-%2C14%2B%2Fm0%2Fs1, 10.170352935791, 0.272821545600891, , , , , , , , 5.11224126815796, -0.392741769552231, 15.9989376068115, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC7H8N4O2%2Fc1-10-5-4%288-3-9-5%296%2812%2911%282%297%2810%2913%2Fh3H%2C1-2H3%2C%28H%2C8%2C9%29, 8.43354797363281, 0.312749296426773, , , , , , , , 4.78925848007202, -0.352202922105789, 16.0060272216797, , , , 11.9886617660522, , , , , , , 
-InChI%3D1S%2FC15H12N2O2%2Fc18-13-15%2817-14%2819%2916-13%2C11-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H%2C%28H2%2C16%2C17%2C18%2C19%29, 12.5015048980713, 0.263334363698959, , , , , , , , 5.12747764587402, -0.368394076824188, 15.9982643127441, , , , 11.9961862564087, , , , , , , 
-InChI%3D1S%2FC15H18N4O5%2Fc1-5-9%2816%2912%2821%298-6%284-24-14%2817%2922%2915%2823-2%2913-7%2818-13%293-19%2815%2910%288%2911%285%2920%2Fh6-7%2C13%2C18H%2C3-4%2C16H2%2C1-2H3%2C%28H2%2C17%2C22%29%2Ft6-%2C7%2B%2C13%3F%2C15%3F%2Fm1%2Fs1, 12.0779237747192, 0.29502061009407, , , , , , , , 4.42415523529053, -0.360640078783035, 16.0000076293945, , , , 11.9961862564087, , , , , , , 
-InChI%3D1S%2FC6H14O6S2%2Fc1-13%287%2C8%2911-5-3-4-6-12-14%282%2C9%2910%2Fh3-6H2%2C1-2H3, 8.36918067932129, 0.313394367694855, , , , , , , , 6.08122062683105, -0.270940661430359, 31.973424911499, , , , 11.998496055603, , , , , , , 
-InChI%3D1S%2FC10H9N3O%2Fc11-9-5-8%286-13-10%289%2914%297-1-3-12-4-2-7%2Fh1-6H%2C11H2%2C%28H%2C13%2C14%29, 9.52245330810547, 0.198849514126778, , , , , , , , 4.89458799362183, -0.3683922290802, 15.9949188232422, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC7H9N3O%2Fc8-7%2811%2910-9-6-4-2-1-3-5-6%2Fh1-5%2C9H%2C%28H3%2C8%2C10%2C11%29, 8.41528224945068, 0.221154630184174, , , , , , , , 4.48026514053345, -0.335250020027161, 15.9949178695679, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC21H19N3O3S%2Fc1-27-20-13-14%2824-28%282%2C25%2926%2911-12-19%2820%2923-21-15-7-3-5-9-17%2815%2922-18-10-6-4-8-16%2818%2921%2Fh3-13%2C24H%2C1-2H3%2C%28H%2C22%2C23%29, 11.6976566314697, 0.266471117734909, , , , , , , , 5.26605367660522, -0.371509701013565, 31.9726791381836, , , , 11.9984321594238, , , , , , , 
-InChI%3D1S%2FC23H29N3O2S%2Fc1-18%2828%2919-7-8-23-21%2817-19%2926%2820-5-2-3-6-22%2820%2929-23%2910-4-9-24-11-13-25%2814-12-24%2915-16-27%2Fh2-3%2C5-8%2C17%2C27H%2C4%2C9-16H2%2C1H3, 12.1328620910645, 0.137615188956261, , , , , , , , 4.12774705886841, -0.394827783107758, 31.9720726013184, , , , 11.9942779541016, , , , , , , 
-InChI%3D1S%2FC20H4Cl4I4O5.2Na%2Fc21-10-8%289%2820%2831%2932%2911%2822%2913%2824%2912%2810%2923%297-3-1-5%2825%2916%2829%2914%2827%2918%283%2933-19-4%287%292-6%2826%2917%2830%2915%2819%2928%3B%3B%2Fh1-2%2C29H%2C%28H%2C31%2C32%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2, 16.3537006378174, 0.365858197212219, , , , , , , , -0.00100000004749745, -0.364408105611801, 126.907501220703, , , , 11.9989013671875, , , , , , , 
-InChI%3D1S%2FC14H22N2O2%2Fc1-6-16%285%2914%2817%2918-13-9-7-8-12%2810-13%2911%282%2915%283%294%2Fh7-11H%2C6H2%2C1-5H3, 9.76469326019287, 0.340453416109085, , , , , , , , 4.67985153198242, -0.342401742935181, 15.9959239959717, , , , 11.9933557510376, , , , , , , 
-InChI%3D1S%2FC28H29F2N3O%2Fc29-22-11-7-20%288-12-22%2925%2821-9-13-23%2830%2914-10-21%294-3-17-32-18-15-24%2816-19-32%2933-27-6-2-1-5-26%2827%2931-28%2833%2934%2Fh1-2%2C5-14%2C24-25H%2C3-4%2C15-19H2%2C%28H%2C31%2C34%29, 11.5231618881226, 0.253573387861252, , , , , , , , 4.0968017578125, -0.356959789991379, 18.9994125366211, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC9H13NO2%2Fc1-10-6-9%2812%297-3-2-4-8%2811%295-7%2Fh2-5%2C9-12H%2C6H2%2C1H3%2Ft9-%2Fm0%2Fs1, 8.93131065368652, 0.1611647605896, , , , , , , , 4.91307497024536, -0.390788495540619, 15.9959201812744, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC21H27NO4%2Fc23-14-5-4-13-10-16-21%2825%297-6-15%2824%2919-20%2821%2C17%2813%2918%2814%2926-19%298-9-22%2816%2911-12-2-1-3-12%2Fh4-5%2C12%2C15-16%2C19%2C23-25H%2C1-3%2C6-11H2%2Ft15%3F%2C16-%2C19%2B%2C20%2B%2C21-%2Fm1%2Fs1, 13.2999610900879, 0.141148895025253, , , , , , , , 5.47680521011353, -0.390225917100906, 15.9979381561279, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC8H12N2%2Fc1-9-7-5-8-4-2-3-6-10-8%2Fh2-4%2C6%2C9H%2C5%2C7H2%2C1H3, 8.24226856231689, 0.125097528100014, , , , , , , , 5.01879978179932, -0.319337248802185, 14.0143508911133, , , , 11.988489151001, , , , , , , 
-InChI%3D1S%2FC26H34O8.Na%2Fc1-14-10-16-17-7-9-26%2833%2C20%2829%2913-34-22%2832%295-4-21%2830%2931%2925%2817%2C3%2912-19%2828%2923%2816%2924%282%298-6-15%2827%2911-18%2814%2924%3B%2Fh6%2C8%2C11%2C14%2C16-17%2C19%2C23%2C28%2C33H%2C4-5%2C7%2C9-10%2C12-13H2%2C1-3H3%2C%28H%2C30%2C31%29%3B%2Fq%3B%2B1%2Fp-1%2Ft14-%2C16%3F%2C17-%2C19-%2C23%2B%2C24-%2C25-%2C26-%3B%2Fm0.%2Fs1, 13.1205129623413, 0.355946809053421, , , , , , , , -4.39845143773709e-06, -0.39262655377388, 22.9897727966309, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC16H13ClN2O2%2Fc1-19-13-8-7-11%2817%299-12%2813%2914%2818-15%2820%2916%2819%2921%2910-5-3-2-4-6-10%2Fh2-9%2C15%2C20H%2C1H3, 11.6311693191528, 0.254604488611221, , , , , , , , 5.20011186599731, -0.364284485578537, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC21H39N7O12%2Fc1-5-21%2836%2C4-30%2916%2840-17-9%2826-2%2913%2834%2910%2831%296%283-29%2938-17%2918%2837-5%2939-15-8%2828-20%2824%2925%2911%2832%297%2827-19%2822%2923%2912%2833%2914%2815%2935%2Fh4-18%2C26%2C29%2C31-36H%2C3H2%2C1-2H3%2C%28H4%2C22%2C23%2C27%29%28H4%2C24%2C25%2C28%29%2Ft5-%2C6%3F%2C7%2B%2C8%3F%2C9-%2C10-%2C11%2B%2C12-%2C13-%2C14%2B%2C15%2B%2C16-%2C17%3F%2C18%3F%2C21%2B%2Fm0%2Fs1, 10.9490823745728, 0.188888177275658, , , , , , , , 4.35681581497192, -0.410715252161026, 16.0064067840576, , , , 11.9961462020874, , , , , , , 
-InChI%3D1S%2FC19H21N%2Fc1-20-14-6-11-19-17-9-4-2-7-15%2817%2912-13-16-8-3-5-10-18%2816%2919%2Fh2-5%2C7-11%2C20H%2C6%2C12-14H2%2C1H3, 11.9153528213501, 0.152347564697266, , , , , , , , 5.11663055419922, -0.318741202354431, 14.0030832290649, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC27H34N2O7%2Fc1-5-36-27%2833%2921%2812-11-18-9-7-6-8-10-18%2928-17%282%2925%2830%2929-16-20-15-24%2835-4%2923%2834-3%2914-19%2820%2913-22%2829%2926%2831%2932%2Fh6-10%2C14-15%2C17%2C21-22%2C28H%2C5%2C11-13%2C16H2%2C1-4H3%2C%28H%2C31%2C32%29%2Ft17-%2C21-%2C22-%2Fm0%2Fs1, 10.8490190505981, 0.296320557594299, , , , , , , , 4.6074652671814, -0.371959000825882, 16.0016822814941, , , , 11.9961223602295, , , , , , , 
-InChI%3D1S%2FC29H41NO4%2Fc1-25%282%2C3%2926%284%2C32%2920-15-27-10-11-29%2820%2C33-5%2924-28%2827%2912-13-30%2816-17-6-7-17%2921%2827%2914-18-8-9-19%2831%2923%2834-24%2922%2818%2928%2Fh8-9%2C17%2C20-21%2C24%2C31-32H%2C6-7%2C10-16H2%2C1-5H3%2Ft20-%2C21-%2C24-%2C26%2B%2C27%3F%2C28%2B%2C29%3F%2Fm1%2Fs1, 14.672700881958, 0.245619162917137, , , , , , , , 5.60454225540161, -0.388885915279388, 15.9979457855225, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC9H13NO%2Fc1-7%2810%299%2811%298-5-3-2-4-6-8%2Fh2-7%2C9%2C11H%2C10H2%2C1H3%2Ft7-%2C9-%2Fm1%2Fs1, 8.96817493438721, 0.14551305770874, , , , , , , , 5.48920679092407, -0.390335530042648, 15.9949178695679, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC16H16N4O8S%2Fc1-26-19-9%288-3-2-4-27-8%2912%2821%2918-10-13%2822%2920-11%2815%2823%2924%297%285-28-16%2817%2925%296-29-14%2810%2920%2Fh2-4%2C10%2C14H%2C5-6H2%2C1H3%2C%28H2%2C17%2C25%29%28H%2C18%2C21%29%28H%2C23%2C24%29%2Fb19-9-%2Ft10%3F%2C14-%2Fm1%2Fs1, 11.8478155136108, 0.302092343568802, , , , , , , , 4.38328456878662, -0.365631371736526, 31.9720726013184, , , , 11.9961776733398, , , , , , , 
-InChI%3D1S%2FC17H26ClN%2Fc1-13%282%2912-16%2819%283%294%2917%2810-5-11-17%2914-6-8-15%2818%299-7-14%2Fh6-9%2C13%2C16H%2C5%2C10-12H2%2C1-4H3, 12.4326934814453, 0.103043079376221, , , , , , , , 6.16919898986816, -0.342163771390915, 34.9688529968262, , , , 11.9933195114136, , , , , , , 
-InChI%3D1S%2FC8H11N3O3S%2Fc9-5-1-2-11%288%2813%2910-5%296-4-15-7%283-12%2914-6%2Fh1-2%2C6-7%2C12H%2C3-4H2%2C%28H2%2C9%2C10%2C13%29%2Ft6-%2C7%2B%2Fm1%2Fs1, 9.86608600616455, 0.170200064778328, , , , , , , , 4.6600079536438, -0.392579287290573, 31.9720726013184, , , , 11.9967775344849, , , , , , , 
-InChI%3D1S%2FC14H15N7.2C4H7NO3%2Fc15-13%2816%299-1-5-11%286-2-9%2919-21-20-12-7-3-10%284-8-12%2914%2817%2918%3B2%2A1-3%286%295-2-4%287%298%2Fh1-8H%2C%28H3%2C15%2C16%29%28H3%2C17%2C18%29%28H%2C19%2C20%29%3B2%2A2H2%2C1H3%2C%28H%2C5%2C6%29%28H%2C7%2C8%29, 8.9145679473877, 0.281920850276947, , , , , , , , 3.59687495231628, -0.349454581737518, 15.9999752044678, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC28H38O3%2Fc1-26-11-14-28%2815-12-26%2C16-13-26%2925%2830%2931-24-8-7-23-22-5-3-18-17-19%2829%294-6-20%2818%2921%2822%299-10-27%2823%2C24%292%2Fh11%2C14%2C17%2C20-24H%2C3-10%2C12-13%2C15-16H2%2C1-2H3%2Ft20%3F%2C21-%2C22%3F%2C23%2B%2C24%2B%2C26%3F%2C27%3F%2C28%3F%2Fm1%2Fs1, 12.1080226898193, 0.27159059047699, , , , , , , , 4.73409080505371, -0.31136155128479, 15.9969358444214, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC19H17N3O4S2%2Fc23-14%289-13-5-4-8-27-13%2920-15-17%2824%2922-16%2819%2825%2926%2912%2811-28-18%2815%2922%2910-21-6-2-1-3-7-21%2Fh1-8%2C15%2C18H%2C9-11H2%2C%28H-%2C20%2C23%2C25%2C26%29%2Ft15%3F%2C18-%2Fm1%2Fs1, 11.8923540115356, 0.397446542978287, , , , , , , , 4.78160429000854, -0.348476260900497, 31.9737911224365, , , , 11.9979429244995, , , , , , , 
-InChI%3D1S%2FC8H11Cl3O6%2Fc9-8%2810%2C11%297-16-5-3%2814%294%282%2813%291-12%2915-6%285%2917-7%2Fh2-7%2C12-14H%2C1H2%2Ft2-%2C3%2B%2C4%3F%2C5%3F%2C6-%2C7%2B%2Fm1%2Fs1, 11.1008405685425, 0.343844056129456, , , , , , , , 4.20738077163696, -0.393306195735931, 34.9710578918457, , , , 11.9985437393188, , , , , , , 
-InChI%3D1S%2FC20H24N2O2S%2Fc1-3-22%284-2%2912-11-21-16-10-9-14%2813-23%2920-18%2816%2919%2824%2915-7-5-6-8-17%2815%2925-20%2Fh5-10%2C21%2C23H%2C3-4%2C11-13H2%2C1-2H3, 12.7770690917969, 0.220504373311996, , , , , , , , 4.99233484268188, -0.395472288131714, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC33H47NO13%2Fc1-18-10-8-6-4-3-5-7-9-11-21%2845-32-30%2839%2928%2834%2929%2838%2919%282%2944-32%2915-25-27%2831%2840%2941%2922%2836%2917-33%2842%2C47-25%2916-20%2835%2914-24-23%2846-24%2912-13-26%2837%2943-18%2Fh3-9%2C11-13%2C18-25%2C27-30%2C32%2C35-36%2C38-39%2C42H%2C10%2C14-17%2C34H2%2C1-2H3%2C%28H%2C40%2C41%29%2Fb4-3%2B%2C7-5%2B%2C8-6%2B%2C11-9%2B%2C13-12%2B%2Ft18-%2C19-%2C20%2B%2C21%2B%2C22%2B%2C23-%2C24%3F%2C25%3F%2C27-%2C28%2B%2C29-%2C30%2B%2C32%3F%2C33-%2Fm1%2Fs1, 10.5855236053467, 0.287674695253372, , , , , , , , 4.52312231063843, -0.393223613500595, 16.0073852539062, , , , 11.9961061477661, , , , , , , 
-InChI%3D1S%2FC11H12ClNO3S%2Fc1-13-10%2814%296-7-17%2815%2C16%2911%2813%298-2-4-9%2812%295-3-8%2Fh2-5%2C11H%2C6-7H2%2C1H3, 12.8929424285889, 0.258993804454803, , , , , , , , 5.15517473220825, -0.317237436771393, 34.9688529968262, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC9H14N2O3%2Fc1-4-9%285-2%296%2812%2910-8%2814%2911%283%297%289%2913%2Fh4-5H2%2C1-3H3%2C%28H%2C10%2C12%2C14%29, 10.9373788833618, 0.330573916435242, , , , , , , , 4.61596250534058, -0.369949370622635, 15.998706817627, , , , 11.9962682723999, , , , , , , 
-InChI%3D1S%2FC11H12N4O2S%2Fc1-8-6-7-13-11%2814-8%2915-18%2816%2C17%2910-4-2-9%2812%293-5-10%2Fh2-7H%2C12H2%2C1H3%2C%28H%2C13%2C14%2C15%29, 11.446102142334, 0.268476605415344, , , , , , , , 5.72383213043213, -0.322937190532684, 31.9720726013184, , , , 11.9884147644043, , , , , , , 
-InChI%3D1S%2FC10H21N%2Fc1-9%2811-2%298-10-6-4-3-5-7-10%2Fh9-11H%2C3-8H2%2C1-2H3, 9.19163036346436, 0.0554421581327915, , , , , , , , 5.36304140090942, -0.316530853509903, 14.0030794143677, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC22H31NO3%2Fc1-3-23%284-2%2917-11-12-18-26-21%2824%2922%2825%2C19-13-7-5-8-14-19%2920-15-9-6-10-16-20%2Fh5%2C7-8%2C13-14%2C20%2C25H%2C3-4%2C6%2C9-10%2C15-18H2%2C1-2H3, 11.7245273590088, 0.295431107282639, , , , , , , , 5.41043472290039, -0.378141611814499, 15.9969329833984, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC8H9NO%2Fc1-7%2810%299-8-5-3-2-4-6-8%2Fh2-6H%2C1H3%2C%28H%2C9%2C10%29, 8.2628812789917, 0.156441181898117, , , , , , , , 4.68018484115601, -0.372434377670288, 15.9979438781738, , , , 11.9962921142578, , , , , , , 
-InChI%3D1S%2FC21H27NO%2Fc1-5-20%2823%2921%2816-17%282%2922%283%294%2C18-12-8-6-9-13-18%2919-14-10-7-11-15-19%2Fh6-15%2C17H%2C5%2C16H2%2C1-4H3, 14.073504447937, 0.14045275747776, , , , , , , , 6.03057146072388, -0.306616365909576, 15.9949207305908, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC30H32N2O2%2Fc1-2-34-28%2833%2929%2825-12-6-3-7-13-25%2918-21-32%2822-19-29%2923-20-30%2824-31%2C26-14-8-4-9-15-26%2927-16-10-5-11-17-27%2Fh3-17H%2C2%2C18-23H2%2C1H3, 13.0953760147095, 0.2681804895401, , , , , , , , 5.08231115341187, -0.3158278465271, 15.9959316253662, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC22H20N4O8S2%2Fc23-18%2827%2913-6-8-25%289-7-13%2910-14-11-35-21-15%2820%2829%2926%2821%2916%2814%2922%2830%2931%2924-19%2828%2917%2836%2832%2C33%2934%2912-4-2-1-3-5-12%2Fh1-9%2C15%2C17%2C21H%2C10-11H2%2C%28H4-%2C23%2C24%2C27%2C28%2C30%2C31%2C32%2C33%2C34%29%2Ft15-%2C17%3F%2C21-%2Fm1%2Fs1, 12.7599849700928, 0.357662737369537, , , , , , , , 4.74663639068604, -0.371694087982178, 31.9730739593506, , , , 11.9961414337158, , , , , , , 
-InChI%3D1S%2FC19H17Cl2N3O5S%2Fc1-7-10%2812%2823-29-7%2911-8%2820%295-4-6-9%2811%2921%2915%2825%2922-13-16%2826%2924-14%2818%2827%2928%2919%282%2C3%2930-17%2813%2924%2Fh4-6%2C13-14%2C17H%2C1-3H3%2C%28H%2C22%2C25%29%28H%2C27%2C28%29%2Ft13%3F%2C14-%2C17%2B%2Fm0%2Fs1, 12.0998096466064, 0.278289556503296, , , , , , , , 4.78084278106689, -0.347814112901688, 34.970157623291, , , , 11.9985094070435, , , , , , , 
-InChI%3D1S%2FC21H40O7S.Na%2Fc1-5-9-11-13-18%288-4%2915-27-20%2822%2914-19%2829%2824%2C25%2926%2921%2823%2928-16-17%287-3%2912-10-6-2%3B%2Fh17-19H%2C5-16H2%2C1-4H3%2C%28H%2C24%2C25%2C26%29%3B%2Fq%3B%2B1%2Fp-1, 11.3728132247925, 0.380888015031815, , , , , , , , -4.03133753934526e-06, -0.31589862704277, 31.9728298187256, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC21H27ClN2O2%2Fc22-20-8-6-19%287-9-20%2921%2818-4-2-1-3-5-18%2924-12-10-23%2811-13-24%2914-16-26-17-15-25%2Fh1-9%2C21%2C25H%2C10-17H2, 12.2274675369263, 0.139576137065887, , , , , , , , 3.78138780593872, -0.393499225378036, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC20H22N8O5%2Fc1-28%289-11-8-23-17-15%2824-11%2916%2821%2926-20%2822%2927-17%2912-4-2-10%283-5-12%2918%2831%2925-13%2819%2832%2933%296-7-14%2829%2930%2Fh2-5%2C8%2C13H%2C6-7%2C9H2%2C1H3%2C%28H%2C25%2C31%29%28H%2C29%2C30%29%28H%2C32%2C33%29%28H4%2C21%2C22%2C23%2C26%2C27%29%2Ft13-%2Fm0%2Fs1, 9.76416206359863, 0.296018809080124, , , , , , , , 3.83277702331543, -0.349755167961121, 16.0000228881836, , , , 11.996150970459, , , , , , , 
-InChI%3D1S%2FC24H25NO4%2Fc1-17-21%2826%2919-11-8-12-20%2823%2819%2929-22%2817%2918-9-4-2-5-10-18%2924%2827%2928-16-15-25-13-6-3-7-14-25%2Fh2%2C4-5%2C8-12H%2C3%2C6-7%2C13-16H2%2C1H3, 10.5567531585693, 0.27214977145195, , , , , , , , 5.07069778442383, -0.381265074014664, 16.0062885284424, , , , 11.9883785247803, , , , , , , 
-InChI%3D1S%2FC9H13N2O2.BrH%2Fc1-10%282%299%2812%2913-8-5-4-6-11%283%297-8%3B%2Fh4-7H%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1, 7.7286491394043, 0.34024104475975, , , , , , , , 3.49999499320984, -0.347467005252838, 78.9183349609375, , , , 11.9934511184692, , , , , , , 
-InChI%3D1S%2FC13H15NO2%2Fc1-2-13%2810-6-4-3-5-7-10%299-8-11%2815%2914-12%2813%2916%2Fh3-7H%2C2%2C8-9H2%2C1H3%2C%28H%2C14%2C15%2C16%29, 11.6666297912598, 0.254603326320648, , , , , , , , 4.96576976776123, -0.34795555472374, 15.995922088623, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC20H41N5O7%2Fc1-8%2821%2912-5-4-9%2822%2918%2830-12%2931-15-10%2823%296-11%2824%2916%2813%2815%2926%2932-19-14%2827%2917%2825-3%2920%282%2C28%297-29-19%2Fh8-19%2C25-28H%2C4-7%2C21-24H2%2C1-3H3%2Ft8%3F%2C9-%2C10%2B%2C11-%2C12%2B%2C13%2B%2C14-%2C15-%2C16%3F%2C17-%2C18%3F%2C19-%2C20%3F%2Fm1%2Fs1, 10.1734752655029, 0.186454802751541, , , , , , , , 5.69483804702759, -0.410436511039734, 16.0016803741455, , , , 11.996150970459, , , , , , , 
-InChI%3D1S%2FC22H30O%2Fc1-4-21-14-15%283%2920-17-9-7-6-8-16%2817%2910-11-18%2820%2919%2821%2912-13-22%2821%2C23%295-2%2Fh2%2C8%2C17-20%2C23H%2C3-4%2C6-7%2C9-14H2%2C1H3%2Ft17-%2C18%3F%2C19-%2C20%2B%2C21%3F%2C22-%2Fm0%2Fs1, 13.0657596588135, 0.217315852642059, , , , , , , , 5.46790313720703, -0.404571950435638, 15.9949197769165, , , , 11.6899995803833, , , , , , , 
-InChI%3D1S%2FC3H6N2O2%2Fc4-2-1-7-5-3%282%296%2Fh2H%2C1%2C4H2%2C%28H%2C5%2C6%29, 7.06675434112549, 0.208459109067917, , , , , , , , 4.49832487106323, -0.367027163505554, 15.9982595443726, , , , 11.9965486526489, , , , , , , 
-InChI%3D1S%2FC11H12N2S%2Fc1-2-4-9%285-3-1%2910-8-13-6-7-14-11%2813%2912-10%2Fh1-5%2C10H%2C6-8H2%2Ft10-%2Fm1%2Fs1, 10.4530582427979, 0.138986527919769, , , , , , , , 6.67224836349487, -0.289128184318542, 31.9720726013184, , , , 11.994402885437, , , , , , , 
-InChI%3D1S%2FC8H16O2%2Fc1-3-5-7%286-4-2%298%289%2910%2Fh7H%2C3-6H2%2C1-2H3%2C%28H%2C9%2C10%29, 8.66700458526611, 0.281747341156006, , , , , , , , 4.19330644607544, -0.351066619157791, 15.9982595443726, , , , 11.9962921142578, , , , , , , 
-InChI%3D1S%2FC13H8Cl2O4S%2Fc14-11-7%2813%2818%299-2-1-5-20-9%293-4-8%2812%2811%2915%2919-6-10%2816%2917%2Fh1-5H%2C6H2%2C%28H%2C16%2C17%29, 11.2962684631348, 0.284754991531372, , , , , , , , 3.72336649894714, -0.358445376157761, 34.970157623291, , , , 11.9985208511353, , , , , , , 
-InChI%3D1S%2FC15H11I4NO4%2Fc16-8-4-7%285-9%2817%2913%288%2921%2924-14-10%2818%291-6%282-11%2814%2919%293-12%2820%2915%2822%2923%2Fh1-2%2C4-5%2C12%2C21H%2C3%2C20H2%2C%28H%2C22%2C23%29, 15.0105276107788, 0.275979369878769, , , , , , , , 4.26463174819946, -0.383496135473251, 126.907470703125, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC11H14N2S%2Fc1-13-8-3-7-12-11%2813%296-5-10-4-2-9-14-10%2Fh2%2C4-6%2C9H%2C3%2C7-8H2%2C1H3, 10.7633113861084, 0.137175753712654, , , , , , , , 6.40589809417725, -0.272926717996597, 31.9731979370117, , , , 11.9979801177979, , , , , , , 
-InChI%3D1S%2FC24H34O5%2Fc1-13%284-7-21%2828%2929%2916-5-6-17-22-18%2812-20%2827%2924%2816%2C17%293%2923%282%299-8-15%2825%2910-14%2823%2911-19%2822%2926%2Fh13-14%2C16-18%2C22H%2C4-12H2%2C1-3H3%2C%28H%2C28%2C29%29%2Ft13-%2C14%2B%2C16-%2C17%3F%2C18%2B%2C22%3F%2C23%2B%2C24-%2Fm1%2Fs1, 12.7747173309326, 0.258620053529739, , , , , , , , 3.91269278526306, -0.331800788640976, 15.9989452362061, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC9H17NO5%2Fc1-9%282%2C5-11%297%2814%298%2815%2910-4-3-6%2812%2913%2Fh7%2C11%2C14H%2C3-5H2%2C1-2H3%2C%28H%2C10%2C15%29%28H%2C12%2C13%29%2Ft7-%2Fm0%2Fs1, 9.43271827697754, 0.260738134384155, , , , , , , , 3.71811532974243, -0.395199686288834, 15.9999942779541, , , , 11.9962682723999, , , , , , , 
-InChI%3D1S%2FC16H12O3%2Fc1-19-11-8-6-10%287-9-11%2914-15%2817%2912-4-2-3-5-13%2812%2916%2814%2918%2Fh2-9%2C14H%2C1H3, 10.5845251083374, 0.235054031014442, , , , , , , , 4.77406454086304, -0.380514174699783, 16.0061454772949, , , , 11.9884653091431, , , , , , , 
-InChI%3D1S%2FC21H27N%2Fc1-16%2815-22%282%293%2914-21-19-10-6-4-8-17%2819%2912-13-18-9-5-7-11-20%2818%2921%2Fh4-11%2C16%2C21H%2C12-15H2%2C1-3H3, 12.264820098877, 0.139095202088356, , , , , , , , 5.87973070144653, -0.308690249919891, 14.0030851364136, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC22H27ClN2O%2Fc1-17%282%2924-14-12-21%2813-15-24%2925%2820-10-8-19%2823%299-11-20%2922%2826%2916-18-6-4-3-5-7-18%2Fh3-11%2C17%2C21H%2C12-16H2%2C1-2H3, 11.7303686141968, 0.204247698187828, , , , , , , , 5.85254383087158, -0.300448477268219, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC29H33FO6%2Fc1-17-13-22-21-10-9-19-14-20%2832%2911-12-26%2819%2C2%2928%2821%2C30%2923%2833%2915-27%2822%2C3%2929%2817%2C24%2834%2916-31%2936-25%2835%2918-7-5-4-6-8-18%2Fh4-8%2C11-12%2C14%2C17%2C21-23%2C31%2C33H%2C9-10%2C13%2C15-16H2%2C1-3H3%2Ft17-%2C21-%2C22%3F%2C23-%2C26-%2C27-%2C28%3F%2C29-%2Fm0%2Fs1, 13.5645084381104, 0.27023521065712, , , , , , , , 4.80303478240967, -0.390021622180939, 18.9984092712402, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC12H13ClN4%2Fc1-2-9-10%2811%2814%2917-12%2815%2916-9%297-3-5-8%2813%296-4-7%2Fh3-6H%2C2H2%2C1H3%2C%28H4%2C14%2C15%2C16%2C17%29, 11.2960071563721, 0.14670892059803, , , , , , , , 5.62629890441895, -0.315193474292755, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC11H12N2O.2C2H3Cl3O2%2Fc1-9-8-11%2814%2913%2812%289%292%2910-6-4-3-5-7-10%3B2%2A3-2%284%2C5%291%286%297%2Fh3-8H%2C1-2H3%3B2%2A1%2C6-7H, 10.2118539810181, 0.343492597341537, , , , , , , , 4.99616956710815, -0.36408331990242, 34.9739608764648, , , , 11.9985160827637, , , , , , , 
-InChI%3D1S%2FC18H24O2%2Fc1-18-9-8-14-13-5-3-12%2819%2910-11%2813%292-4-15%2814%2916%2818%296-7-17%2818%2920%2Fh3%2C5%2C10%2C14-17%2C19-20H%2C2%2C4%2C6-9H2%2C1H3%2Ft14-%2C15%3F%2C16%2B%2C17%2B%2C18%3F%2Fm1%2Fs1, 11.4216375350952, 0.210652694106102, , , , , , , , 5.03756332397461, -0.392096668481827, 15.9959239959717, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC16H12ClNO3%2Fc1-9%2816%2819%2920%2911-4-7-14-13%288-11%2918-15%2821-14%2910-2-5-12%2817%296-3-10%2Fh2-9H%2C1H3%2C%28H%2C19%2C20%29, 9.54974269866943, 0.282131403684616, , , , , , , , 4.2705659866333, -0.351126074790955, 34.9688529968262, , , , 11.9961776733398, , , , , , , 
-InChI%3D1S%2FC26H28N2%2Fc1-4-11-23%2812-5-1%2913-10-18-27-19-21-28%2822-20-27%2926%2824-14-6-2-7-15-24%2925-16-8-3-9-17-25%2Fh1-17%2C26H%2C18-22H2, 12.1317911148071, 0.119836658239365, , , , , , , , 6.53561544418335, -0.297106146812439, 14.0041007995605, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC23H16O11%2Fc24-11%289-31-14-3-1-5-16-20%2814%2912%2825%297-18%2833-16%2922%2827%2928%2910-32-15-4-2-6-17-21%2815%2913%2826%298-19%2834-17%2923%2829%2930%2Fh1-8%2C11%2C24H%2C9-10H2%2C%28H%2C27%2C28%29%28H%2C29%2C30%29, 9.79209899902344, 0.307526469230652, , , , , , , , 4.08734273910522, -0.388277024030685, 16.0054035186768, , , , 11.9961366653442, , , , , , , 
-InChI%3D1S%2FC5H11NO2%2Fc1-5%282%293-4-8-6-7%2Fh5H%2C3-4H2%2C1-2H3, 7.24715518951416, 0.102251328527927, , , , , , , , 2.54749727249146, -0.216834858059883, 15.9959182739258, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC21H26N2OS2%2Fc1-22-13-6-5-7-16%2822%2912-14-23-18-8-3-4-9-20%2818%2925-21-11-10-17%2826%282%2924%2915-19%2821%2923%2Fh3-4%2C8-11%2C15-16H%2C5-7%2C12-14H2%2C1-2H3, 12.6889247894287, 0.130252555012703, , , , , , , , 6.44507455825806, -0.30326572060585, 31.9734268188477, , , , 11.9984321594238, , , , , , , 
-InChI%3D1S%2FC12H21N%2Fc1-8%2813%2912-5-9-2-10%286-12%294-11%283-9%297-12%2Fh8-11H%2C2-7%2C13H2%2C1H3, 11.2149257659912, 0.0729597210884094, , , , , , , , 6.30761766433716, -0.32702362537384, 14.003080368042, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC19H30O3%2Fc1-17-11-22-16%2820%2910-12%2817%294-5-13-14%2817%296-8-18%282%2915%2813%297-9-19%2818%2C3%2921%2Fh12-15%2C21H%2C4-11H2%2C1-3H3%2Ft12-%2C13%3F%2C14-%2C15-%2C17%3F%2C18-%2C19-%2Fm0%2Fs1, 11.9072904586792, 0.299900561571121, , , , , , , , 4.33080196380615, -0.389030903577805, 15.9969291687012, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC10H13NO2%2Fc1-2-3-4-8-5-6-9%2810%2812%2913%2911-7-8%2Fh5-7H%2C2-4H2%2C1H3%2C%28H%2C12%2C13%29, 8.64116477966309, 0.302803039550781, , , , , , , , 4.03264427185059, -0.349121510982513, 15.9982614517212, , , , 11.9962491989136, , , , , , , 
-InChI%3D1S%2FC6H8O7%2Fc7-3%288%291-6%2813%2C5%2811%2912%292-4%289%2910%2Fh13H%2C1-2H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29%28H%2C11%2C12%29, 8.90500450134277, 0.31101068854332, , , , , , , , 3.93245315551758, -0.378030776977539, 16.0016403198242, , , , 11.9963550567627, , , , , , , 
-InChI%3D1S%2FC9H10N2O3%2Fc10-7-3-1-6%282-4-7%299%2814%2911-5-8%2812%2913%2Fh1-4H%2C5%2C10H2%2C%28H%2C11%2C14%29%28H%2C12%2C13%29, 8.88420867919922, 0.273364812135696, , , , , , , , 3.74432516098022, -0.330698639154434, 15.9969244003296, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H26NO4.BrH%2Fc1-3-20%282%2915-9-13%2810-16%2820%2918-17%2815%2924-18%2923-19%2822%2914%2811-21%2912-7-5-4-6-8-12%3B%2Fh4-8%2C13-18%2C21H%2C3%2C9-11H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft13-%2C14-%2C15-%2C16%2B%2C17%3F%2C18%2B%2C20%3F%3B%2Fm1.%2Fs1, 11.019416809082, 0.267805278301239, , , , , , , , 3.49999380111694, -0.394980579614639, 78.9183349609375, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC13H16N2O2%2Fc1-2-3-9-11-12%2816%2914-15%2813%2811%2917%2910-7-5-4-6-8-10%2Fh4-8%2C11H%2C2-3%2C9H2%2C1H3%2C%28H%2C14%2C16%29, 9.59439849853516, 0.234053999185562, , , , , , , , 5.25881671905518, -0.36915385723114, 15.9982633590698, , , , 11.9962062835693, , , , , , , 
-InChI%3D1S%2FC24H36O5%2Fc1-5-15%283%2924%2827%2929-21-11-14%282%2910-17-7-6-16%284%2920%2823%2817%2921%299-8-19-12-18%2825%2913-22%2826%2928-19%2Fh6-7%2C10%2C14-16%2C18-21%2C23%2C25H%2C5%2C8-9%2C11-13H2%2C1-4H3%2Ft14-%2C15-%2C16-%2C18%2B%2C19%2B%2C20-%2C21%3F%2C23-%2Fm0%2Fs1, 12.2365303039551, 0.265634983778, , , , , , , , 4.24397087097168, -0.391941964626312, 15.9989452362061, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC53H72N2O12.2C6H6O3S%2Fc1-54%2822-18-38-32-48%2862-7%2950%2864-9%2934-40%2838%2942%2854%2928-36-14-16-44%2858-3%2946%2830-36%2960-5%2924-20-52%2856%2966-26-12-11-13-27-67-53%2857%2921-25-55%282%2923-19-39-33-49%2863-8%2951%2865-10%2935-41%2839%2943%2855%2929-37-15-17-45%2859-4%2947%2831-37%2961-6%3B2%2A7-10%288%2C9%296-4-2-1-3-5-6%2Fh14-17%2C30-35%2C42-43H%2C11-13%2C18-29H2%2C1-10H3%3B2%2A1-5H%2C%28H%2C7%2C8%2C9%29%2Fq%2B2%3B%3B%2Fp-2, 12.8521461486816, 0.35605725646019, , , , , , , , 4.65416240692139, -0.371970325708389, 31.9730796813965, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H19N3%2Fc1-19-9-10-20-16%2812-19%2915-7-3-2-5-13%2815%2911-14-6-4-8-18-17%2814%2920%2Fh2-8%2C16H%2C9-12H2%2C1H3, 11.4854192733765, 0.234332531690598, , , , , , , , 6.26049470901489, -0.303173691034317, 14.0051002502441, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H23NO%2Fc1-20-14-12-18%2813-15-20%2921-19%2816-8-4-2-5-9-16%2917-10-6-3-7-11-17%2Fh2-11%2C18-19H%2C12-15H2%2C1H3, 11.037899017334, 0.145291730761528, , , , , , , , 5.8401985168457, -0.372941941022873, 15.9949197769165, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H14F3N3O2S%2Fc1-11-2-4-12%285-3-11%2915-10-16%2817%2818%2C19%2920%2922-23%2815%2913-6-8-14%289-7-13%2926%2821%2C24%2925%2Fh2-10H%2C1H3%2C%28H2%2C21%2C24%2C25%29, 11.0174341201782, 0.432606071233749, , , , , , , , 3.64852547645569, -0.22852934896946, 31.9720726013184, , , , 11.9973917007446, , , , , , , 
-InChI%3D1S%2FC5H9N3%2Fc6-3-1-5-2-4-7-8-5%2Fh2%2C4H%2C1%2C3%2C6H2%2C%28H%2C7%2C8%29, 7.14739561080933, 0.158853635191917, , , , , , , , 4.74664974212646, -0.33018496632576, 14.0144681930542, , , , 11.9885921478271, , , , , , , 
-InChI%3D1S%2FC15H18I3NO3.Na%2Fc1-3-5-12%2820%2919-14-11%2817%297-10%2816%299%2813%2814%2918%296-8%284-2%2915%2821%2922%3B%2Fh7-8H%2C3-6H2%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C21%2C22%29%3B%2Fq%3B%2B1%2Fp-1, 16.8369598388672, 0.265128374099731, , , , , , , , -2.47440971179458e-06, -0.331398129463196, 126.906471252441, , , , 11.9961862564087, , , , , , , 
-InChI%3D1S%2FC6H13NO5%2Fc7-3-5%2810%294%289%292%281-8%2912-6%283%2911%2Fh2-6%2C8-11H%2C1%2C7H2%2Ft2%3F%2C3-%2C4-%2C5-%2C6-%2Fm1%2Fs1, 8.09859275817871, 0.173535093665123, , , , , , , , 4.26461791992188, -0.410363435745239, 15.9999904632568, , , , 11.9963550567627, , , , , , , 
-InChI%3D1S%2FC14H20N2O2%2Fc1-14%282%2C3%2916-9-12%2817%2910-18-13-7-5-4-6-11%2813%298-15%2Fh4-7%2C12%2C16-17H%2C9-10H2%2C1-3H3, 8.77788639068604, 0.128417119383812, , , , , , , , 4.3650860786438, -0.389215171337128, 15.9959239959717, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC22H43N5O13%2Fc23-2-1-8%2829%2920%2836%2927-7-3-6%2825%2918%2839-22-16%2834%2915%2833%2913%2831%299%284-24%2937-22%2917%2835%2919%287%2940-21-14%2832%2911%2826%2912%2830%2910%285-28%2938-21%2Fh6-19%2C21-22%2C28-35H%2C1-5%2C23-26H2%2C%28H%2C27%2C36%29%2Ft6-%2C7%3F%2C8-%2C9%2B%2C10%2B%2C11-%2C12%2B%2C13%2B%2C14%2B%2C15-%2C16%2B%2C17-%2C18%2B%2C19-%2C21%3F%2C22%3F%2Fm0%2Fs1, 10.7481069564819, 0.190535828471184, , , , , , , , 4.41721868515015, -0.393557220697403, 16.0073757171631, , , , 11.9961414337158, , , , , , , 
-InChI%3D1S%2FC12H15N3O2S%2Fc1-3-6-18-8-4-5-9-10%287-8%2914-11%2813-9%2915-12%2816%2917-2%2Fh4-5%2C7H%2C3%2C6H2%2C1-2H3%2C%28H2%2C13%2C14%2C15%2C16%29, 10.9095211029053, 0.281965881586075, , , , , , , , 4.49575138092041, -0.325633227825165, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC24H20N6O3%2Fc1-2-33-24-25-20-9-5-8-19%2823%2831%2932%2921%2820%2930%2824%2914-15-10-12-16%2813-11-15%2917-6-3-4-7-18%2817%2922-26-28-29-27-22%2Fh3-13H%2C2%2C14H2%2C1H3%2C%28H%2C31%2C32%29%28H%2C26%2C27%2C28%2C29%29, 10.9645042419434, 0.268890470266342, , , , , , , , 4.51599264144897, -0.341224431991577, 15.9969415664673, , , , 11.9882488250732, , , , , , , 
-InChI%3D1S%2FC12H17N4OS.ClH%2Fc1-8-11%283-4-17%2918-7-16%288%296-10-5-14-9%282%2915-12%2810%2913%3B%2Fh5%2C7%2C17H%2C3-4%2C6H2%2C1-2H3%2C%28H2%2C13%2C14%2C15%29%3B1H%2Fq%2B1%3B%2Fp-1, 10.7497882843018, 0.116642907261848, , , , , , , , 2.34299659729004, -0.395727574825287, 34.9688529968262, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC6H14N2O2%2Fc7-4-2-1-3-5%288%296%289%2910%2Fh5H%2C1-4%2C7-8H2%2C%28H%2C9%2C10%29%2Ft5-%2Fm0%2Fs1, 7.78169870376587, 0.295229643583298, , , , , , , , 3.97197818756104, -0.349725544452667, 15.9982604980469, , , , 11.9963550567627, , , , , , , 
-InChI%3D1S%2FC5H11NS2.Na%2Fc1-3-6%284-2%295%287%298%3B%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C8%29%3B%2Fq%3B%2B1%2Fp-1, 11.4587697982788, 0.168728709220886, , , , , , , , -1.00992258467159e-06, -0.262679159641266, 31.973424911499, , , , 11.9985122680664, , , , , , , 
-InChI%3D1S%2FC17H23NO%2Fc1-18-9-8-17-7-3-2-4-14%2817%2916%2818%2910-12-5-6-13%2819%2911-15%2812%2917%2Fh5-6%2C11%2C14%2C16%2C19H%2C2-4%2C7-10H2%2C1H3%2Ft14-%2C16%3F%2C17%3F%2Fm0%2Fs1, 12.7375688552856, 0.210850045084953, , , , , , , , 5.23315525054932, -0.38572883605957, 15.9949197769165, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H25NO%2Fc1-2-10-20-11-9-19-8-4-3-5-16%2819%2918%2820%2912-14-6-7-15%2821%2913-17%2814%2919%2Fh2%2C6-7%2C13%2C16%2C18%2C21H%2C1%2C3-5%2C8-12H2%2Ft16-%2C18%2B%2C19%3F%2Fm0%2Fs1, 12.8660068511963, 0.142919585108757, , , , , , , , 5.24117946624756, -0.38573357462883, 15.9949197769165, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC16H19ClN2O%2Fc1-19%282%2911-12-20-16%2815-5-3-4-10-18-15%2913-6-8-14%2817%299-7-13%2Fh3-10%2C16H%2C11-12H2%2C1-2H3, 10.5869464874268, 0.149428054690361, , , , , , , , 5.60615253448486, -0.373546659946442, 34.9688529968262, , , , 11.9883317947388, , , , , , , 
-InChI%3D1S%2FC6H15NO3%2Fc8-4-1-7%282-5-9%293-6-10%2Fh8-10H%2C1-6H2, 8.26262950897217, 0.0819768831133842, , , , , , , , 4.09075975418091, -0.419871896505356, 15.9987030029297, , , , 11.9963550567627, , , , , , , 
-InChI%3D1S%2FC22H28O5%2Fc1-12-8-16-15-5-4-13-9-14%2824%296-7-20%2813%2C2%2919%2815%2917%2825%2910-21%2816%2C3%2922%2812%2C27%2918%2826%2911-23%2Fh6-7%2C9%2C12%2C15-16%2C19%2C23%2C27H%2C4-5%2C8%2C10-11H2%2C1-3H3%2Ft12-%2C15%3F%2C16-%2C19%2B%2C20-%2C21-%2C22-%2Fm0%2Fs1, 12.7984495162964, 0.190331384539604, , , , , , , , 4.61414766311646, -0.388411521911621, 15.9989423751831, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC18H20N2O6%2Fc1-5-26-18%2822%2915-11%283%2919-10%282%2914%2817%2821%2925-4%2916%2815%2912-7-6-8-13%289-12%2920%2823%2924%2Fh6-9%2C16%2C19H%2C5H2%2C1-4H3, 12.8549127578735, 0.292060524225235, , , , , , , , 3.78633880615234, -0.315674096345901, 15.9999475479126, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC19H20N2O3%2Fc22-13-11-21%2812-14-23%2919-20-17%2815-7-3-1-4-8-15%2918%2824-19%2916-9-5-2-6-10-16%2Fh1-10%2C22-23H%2C11-14H2, 10.2670164108276, 0.256251096725464, , , , , , , , 4.21770906448364, -0.395406991243362, 15.9969320297241, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC10H14O3%2Fc1-8-4-2-3-5-10%288%2913-7-9%2812%296-11%2Fh2-5%2C9%2C11-12H%2C6-7H2%2C1H3, 8.53116798400879, 0.108700416982174, , , , , , , , 4.03196716308594, -0.393227428197861, 15.996922492981, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC19H24N4O2%2Fc20-18%2821%2914-4-8-16%289-5-14%2924-12-2-1-3-13-25-17-10-6-15%287-11-17%2919%2822%2923%2Fh4-11H%2C1-3%2C12-13H2%2C%28H3%2C20%2C21%29%28H3%2C22%2C23%29, 8.85655403137207, 0.165269687771797, , , , , , , , 5.42190217971802, -0.371628403663635, 15.9959278106689, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC8H11N7S%2Fc9-7%2810%2914-12-5-1-3-6%284-2-5%2913-15-8%2811%2916%2Fh1-4H%2C%28H4%2C9%2C10%2C14%29%28H3%2C11%2C15%2C16%29, 9.38268184661865, 0.162502303719521, , , , , , , , 5.02003717422485, -0.282409369945526, 31.9720726013184, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC17H12Br2O3%2Fc1-2-13-15%2810-5-3-4-6-14%2810%2922-13%2916%2820%299-7-11%2818%2917%2821%2912%2819%298-9%2Fh3-8%2C21H%2C2H2%2C1H3, 11.1838855743408, 0.181325033307076, , , , , , , , 5.6878228187561, -0.382335871458054, 78.9193344116211, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC14H16ClN3O4S2%2Fc15-10-5-11-13%286-12%2810%2923%2816%2C19%2920%2924%2821%2C22%2918-14%2817-11%299-4-7-1-2-8%289%293-7%2Fh1-2%2C5-9%2C14%2C17-18H%2C3-4H2%2C%28H2%2C16%2C19%2C20%29, 13.0400400161743, 0.223324477672577, , , , , , , , 7.29557943344116, -0.291434228420258, 34.9688529968262, , , , 11.8999996185303, , , , , , , 
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-InChI%3D1S%2FC10H21N3O%2Fc1-4-12%285-2%2910%2814%2913-8-6-11%283%297-9-13%2Fh4-9H2%2C1-3H3, 9.22337245941162, 0.277485281229019, , , , , , , , 5.27637958526611, -0.30342435836792, 15.9949188232422, , , , 11.9944229125977, , , , , , , 
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-InChI%3D1S%2FC27H49N7O17%2Fc1-6-27%2845%2C5-37%2921%2824%2846-6%2950-20-10%2834-26%2830%2931%2913%2839%299%2833-25%2828%2929%2914%2840%2917%2820%2943%2951-22-11%2832-2%2915%2841%2919%288%284-36%2948-22%2949-23-18%2844%2916%2842%2912%2838%297%283-35%2947-23%2Fh5-24%2C32%2C35-36%2C38-45H%2C3-4H2%2C1-2H3%2C%28H4%2C28%2C29%2C33%29%28H4%2C30%2C31%2C34%29%2Ft6-%2C7%2B%2C8-%2C9%2B%2C10-%2C11-%2C12%2B%2C13%2B%2C14-%2C15-%2C16-%2C17%2B%2C18%3F%2C19%3F%2C20%3F%2C21-%2C22-%2C23-%2C24-%2C27%2B%2Fm0%2Fs1, 10.9522399902344, 0.190630301833153, , , , , , , , 4.3628945350647, -0.407413303852081, 16.0113639831543, , , , 11.9961223602295, , , , , , , 
-InChI%3D1S%2FC29H50O%2Fc1-7-21%2819%282%293%299-8-20%284%2925-12-13-26-24-11-10-22-18-23%2830%2914-16-28%2822%2C5%2927%2824%2915-17-29%2825%2C26%296%2Fh10%2C19-21%2C23-27%2C30H%2C7-9%2C11-18H2%2C1-6H3%2Ft20-%2C21-%2C23%2B%2C24%3F%2C25-%2C26%2B%2C27%2B%2C28%2B%2C29-%2Fm1%2Fs1, 12.7065324783325, 0.0601891428232193, , , , , , , , 5.23897981643677, -0.392224460840225, 15.9949216842651, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC25H30N2O5%2Fc1-3-32-25%2831%2921%2814-13-18-9-5-4-6-10-18%2926-17%282%2923%2828%2927-16-20-12-8-7-11-19%2820%2915-22%2827%2924%2829%2930%2Fh4-12%2C17%2C21-22%2C26H%2C3%2C13-16H2%2C1-2H3%2C%28H%2C29%2C30%29%2Ft17-%2C21-%2C22-%2Fm0%2Fs1, 10.7459621429443, 0.296286880970001, , , , , , , , 4.58170700073242, -0.349703401327133, 16.0000152587891, , , , 11.9961290359497, , , , , , , 
-InChI%3D1S%2FC16H25N3O%2Fc1-3-16%2820%2919%2815-9-5-6-10-17-15%2914%282%2913-18-11-7-4-8-12-18%2Fh5-6%2C9-10%2C14H%2C3-4%2C7-8%2C11-13H2%2C1-2H3, 10.8822898864746, 0.204555511474609, , , , , , , , 5.2845287322998, -0.30142667889595, 15.9949197769165, , , , 11.9883317947388, , , , , , , 
-InChI%3D1S%2FC15H32N4O5%2Fc1-6%2816%298-5-4-7%2817%2915%2823-8%2924-13-9%2818%2911%2820%2914%2822-3%2910%2819-2%2912%2813%2921%2Fh6-15%2C19-21H%2C4-5%2C16-18H2%2C1-3H3%2Ft6-%2C7%3F%2C8-%2C9-%2C10%3F%2C11-%2C12%2B%2C13%3F%2C14%2B%2C15%2B%2Fm0%2Fs1, 10.1948757171631, 0.174156934022903, , , , , , , , 5.12863826751709, -0.403847217559814, 16.0000076293945, , , , 11.9961862564087, , , , , , , 
-InChI%3D1S%2FC11H12N2O2%2Fc12-9%2811%2814%2915%295-7-6-13-10-4-2-1-3-8%287%2910%2Fh1-4%2C6%2C9%2C13H%2C5%2C12H2%2C%28H%2C14%2C15%29%2Ft9-%2Fm0%2Fs1, 9.40997791290283, 0.275941461324692, , , , , , , , 4.09255218505859, -0.330446630716324, 15.995922088623, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC22H26N2O4%2Fc1-7-15-13%282%2923-24-22%2814-8-9-18%2825-3%2919%2810-14%2926-4%2917-12-21%2828-6%2920%2827-5%2911-16%2815%2917%2Fh8-12%2C15H%2C7H2%2C1-6H3, 11.897385597229, 0.140504762530327, , , , , , , , 4.92964887619019, -0.371965855360031, 15.9979410171509, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC10H14N2O4S2%2Fc11-18%2815%2C16%2910-5-3-9%284-6-10%2912-7-1-2-8-17%2812%2C13%2914%2Fh3-6H%2C1-2%2C7-8H2%2C%28H2%2C11%2C15%2C16%29, 12.1380386352539, 0.243176162242889, , , , , , , , 6.84410524368286, -0.254039704799652, 31.9734706878662, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC6H5NO2%2Fc8-6%289%295-2-1-3-7-4-5%2Fh1-4H%2C%28H%2C8%2C9%29, 7.7525315284729, 0.268283754587173, , , , , , , , 4.00065088272095, -0.331048905849457, 15.9959182739258, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC8H10N2S%2Fc1-2-7-5-6%288%289%2911%293-4-10-7%2Fh3-5H%2C2H2%2C1H3%2C%28H2%2C9%2C11%29, 9.96507358551025, 0.118699848651886, , , , , , , , 5.57255744934082, -0.29752990603447, 31.972677230835, , , , 11.9984741210938, , , , , , , 
-InChI%3D1S%2FC19H26I3N3O9%2Fc1-8%2829%2925%284-11%2832%297-28%2917-15%2821%2912%2818%2833%2923-2-9%2830%295-26%2914%2820%2913%2816%2817%2922%2919%2834%2924-3-10%2831%296-27%2Fh9-11%2C26-28%2C30-32H%2C2-7H2%2C1H3%2C%28H%2C23%2C33%29%28H%2C24%2C34%29, 17.6639881134033, 0.200270757079124, , , , , , , , 4.18528461456299, -0.394341439008713, 126.906509399414, , , , 11.9989023208618, , , , , , , 
-InChI%3D1S%2FC29H35NO2%2Fc1-5-15-29%2832%2916-14-26-24-12-8-20-17-22%2831%2911-13-23%2820%2927%2824%2925%2818-28%2826%2C29%292%2919-6-9-21%2810-7-19%2930%283%294%2Fh6-7%2C9-10%2C17%2C24-26%2C32H%2C8%2C11-14%2C16%2C18H2%2C1-4H3%2Ft24-%2C25%2B%2C26-%2C28-%2C29-%2Fm0%2Fs1, 13.308295249939, 0.156261503696442, , , , , , , , 4.80936813354492, -0.376871377229691, 15.9959306716919, , , , 11.9932384490967, , , , , , , 
-InChI%3D1S%2FC8H15Cl3O3%2Fc1-5%284-7%282%2C3%2913%2914-6%2812%298%289%2C10%2911%2Fh5-6%2C12-13H%2C4H2%2C1-3H3, 11.0086450576782, 0.316923379898071, , , , , , , , 5.33240747451782, -0.415098041296005, 34.9708557128906, , , , 11.9962921142578, , , , , , , 
-InChI%3D1S%2FC16H13ClN2O%2Fc17-12-7-5-11%286-8-12%2916%2820%2914-4-2-1-3-13%2814%2915-18-9-10-19%2815%2916%2Fh1-8%2C20H%2C9-10H2, 12.1751317977905, 0.138597503304482, , , , , , , , 6.16116905212402, -0.373492240905762, 34.9688529968262, , , , 11.9943332672119, , , , , , , 
-InChI%3D1S%2FC10H14N2O3%2Fc1-4-5-10%286%282%293%297%2813%2911-9%2815%2912-8%2810%2914%2Fh4%2C6H%2C1%2C5H2%2C2-3H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29, 11.7525033950806, 0.371291846036911, , , , , , , , 4.31874513626099, -0.369942098855972, 15.998706817627, , , , 11.9962491989136, , , , , , , 
-InChI%3D1S%2FC17H25NO3%2Fc1-17%282%2C3%2918-10-12%2819%2911-21-16-9-5-6-13-14%2816%297-4-8-15%2813%2920%2Fh5-6%2C9%2C12%2C18-19H%2C4%2C7-8%2C10-11H2%2C1-3H3%2Ft12-%2Fm0%2Fs1, 9.90613460540771, 0.14099083840847, , , , , , , , 4.94708251953125, -0.389226794242859, 15.9969291687012, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC14H11Cl2NO2%2Fc15-10-5-3-6-11%2816%2914%2810%2917-12-7-2-1-4-9%2812%298-13%2818%2919%2Fh1-7%2C17H%2C8H2%2C%28H%2C18%2C19%29, 11.1280241012573, 0.259581476449966, , , , , , , , 4.07935857772827, -0.331591606140137, 34.970157623291, , , , 11.9985179901123, , , , , , , 
-InChI%3D1S%2FC20H30NO3.BrH%2Fc1-21%282%2913-12-18%2815-21%2924-19%2822%2914-20%2823%2C17-10-6-7-11-17%2916-8-4-3-5-9-16%3B%2Fh3-5%2C8-9%2C17-18%2C23H%2C6-7%2C10-15H2%2C1-2H3%3B1H%2Fq%2B1%3B%2Fp-1, 11.791054725647, 0.264723271131516, , , , , , , , 3.4999942779541, -0.387914299964905, 78.9183349609375, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC9H11NO3%2Fc10-8%289%2812%2913%295-6-1-3-7%2811%294-2-6%2Fh1-4%2C8%2C11H%2C5%2C10H2%2C%28H%2C12%2C13%29%2Ft8-%2Fm0%2Fs1, 8.8743839263916, 0.295267134904861, , , , , , , , 4.07806730270386, -0.385746568441391, 15.9987049102783, , , , 11.9962682723999, , , , , , , 
-InChI%3D1S%2FC6H9NO3%2Fc1-6%282%294%288%297%283%295%289%2910-6%2Fh1-3H3, 8.3911304473877, 0.347544074058533, , , , , , , , 4.21024465560913, -0.287040442228317, 15.9969205856323, , , , 11.9935512542725, , , , , , , 
-InChI%3D1S%2FC23H29N3O%2Fc27-19-18-25-16-14-24%2815-17-25%2912-5-13-26-22-8-3-1-6-20%2822%2910-11-21-7-2-4-9-23%2821%2926%2Fh1-4%2C6-11%2C27H%2C5%2C12-19H2, 11.7479085922241, 0.0594884231686592, , , , , , , , 4.12748098373413, -0.394489765167236, 15.9949216842651, , , , 11.9942779541016, , , , , , , 
-InChI%3D1S%2FC11H15NO4S%2Fc1-3-12%284-2%2917%2815%2C16%2910-7-5-9%286-8-10%2911%2813%2914%2Fh5-8H%2C3-4H2%2C1-2H3%2C%28H%2C13%2C14%29, 11.714729309082, 0.286471337080002, , , , , , , , 4.20685720443726, -0.350684612989426, 31.9720726013184, , , , 11.9962329864502, , , , , , , 
-InChI%3D1S%2FC12H15Cl2NO5S%2Fc1-21%2819%2C20%298-4-2-7%283-5-8%2910%2817%299%286-16%2915-12%2818%2911%2813%2914%2Fh2-5%2C9-11%2C16-17H%2C6H2%2C1H3%2C%28H%2C15%2C18%29%2Ft9-%2C10-%2Fm1%2Fs1, 11.0388603210449, 0.223584949970245, , , , , , , , 4.75349473953247, -0.393729239702225, 34.969856262207, , , , 11.9984521865845, , , , , , , 
-InChI%3D1S%2FC23H32O4%2Fc1-14%2824%2927-13-21%2826%2920-7-6-18-17-5-4-15-12-16%2825%298-10-22%2815%2C2%2919%2817%299-11-23%2818%2C20%293%2Fh12%2C17-20H%2C4-11%2C13H2%2C1-3H3%2Ft17%3F%2C18-%2C19-%2C20%2B%2C22-%2C23-%2Fm0%2Fs1, 12.5030746459961, 0.258494824171066, , , , , , , , 3.85125827789307, -0.308345139026642, 15.9979381561279, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC15H21N3O2S3%2Fc1-15%282%2C3%2917-6-9%2819%297-21-14-18-10%288-22-14%2911-4-5-12%2823-11%2913%2816%2920%2Fh4-5%2C8-9%2C17%2C19H%2C6-7H2%2C1-3H3%2C%28H2%2C16%2C20%29, 12.8929843902588, 0.215809687972069, , , , , , , , 4.99237489700317, -0.390417098999023, 31.9740734100342, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC9H13NO2%2Fc1-6%2810%299%2812%297-3-2-4-8%2811%295-7%2Fh2-6%2C9%2C11-12H%2C10H2%2C1H3%2Ft6-%2C9-%2Fm0%2Fs1, 9.08731937408447, 0.161307886242867, , , , , , , , 4.93272733688354, -0.390526056289673, 15.9959201812744, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H22N2%2Fc1-16-7-9-17%2810-8-16%2918%2819-6-2-3-12-20-19%2911-15-21-13-4-5-14-21%2Fh2-3%2C6-12H%2C4-5%2C13-15H2%2C1H3, 11.4858512878418, 0.146411970257759, , , , , , , , 6.03292751312256, -0.299280375242233, 14.0143585205078, , , , 11.9882955551147, , , , , , , 
-InChI%3D1S%2FC21H28O2%2Fc1-4-21%2823%2910-8-18-19-13%282%2911-14-12-15%2822%295-6-16%2814%2917%2819%297-9-20%2818%2C21%293%2Fh1%2C13%2C17-19%2C23H%2C5-12H2%2C2-3H3%2Ft13-%2C17-%2C18%2B%2C19%3F%2C20%2B%2C21%2B%2Fm1%2Fs1, 12.378737449646, 0.137344926595688, , , , , , , , 4.73241519927979, -0.376853585243225, 15.995924949646, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC30H24N4O10%2Fc35-26%2819-5-1-9-31-13-19%2940-17-23-24%2842-28%2837%2921-7-3-11-33-15-21%2925%2843-29%2838%2922-8-4-12-34-16-22%2930%2839%2C44-23%2918-41-27%2836%2920-6-2-10-32-14-20%2Fh1-16%2C23-25%2C39H%2C17-18H2%2Ft23%3F%2C24%3F%2C25-%2C30%2B%2Fm0%2Fs1, 10.6283121109009, 0.275080800056458, , , , , , , , 4.78018140792847, -0.361381530761719, 16.0040111541748, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC21H32O%2Fc1-3-12-21%2822%2914-11-19-18-9-8-15-6-4-5-7-16%2815%2917%2818%2910-13-20%2819%2C21%292%2Fh3%2C6%2C16-19%2C22H%2C1%2C4-5%2C7-14H2%2C2H3%2Ft16-%2C17%2B%2C18%3F%2C19-%2C20-%2C21-%2Fm0%2Fs1, 12.3634853363037, 0.0857748314738274, , , , , , , , 5.64979839324951, -0.388424277305603, 15.9949197769165, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC7H14N4%2Fc1-4-7%282%2C3%2911-6%289%2910-5-8%2Fh4H2%2C1-3H3%2C%28H3%2C9%2C10%2C11%29, 9.47050476074219, 0.211698889732361, , , , , , , , 3.91744160652161, -0.278138846158981, 14.0060882568359, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC22H19NO4%2Fc1-15%2824%2926-19-10-6-17%287-11-19%2922%2821-5-3-4-14-23-21%2918-8-12-20%2813-9-18%2927-16%282%2925%2Fh3-14%2C22H%2C1-2H3, 12.1005849838257, 0.260180026292801, , , , , , , , 3.94943761825562, -0.30651643872261, 15.9979391098022, , , , 11.9882659912109, , , , , , , 
-InChI%3D1S%2FC2H8O7P2%2Fc1-2%283%2C10%284%2C5%296%2911%287%2C8%299%2Fh3H%2C1H3%2C%28H2%2C4%2C5%2C6%29%28H2%2C7%2C8%2C9%29, 5.74100685119629, 0.372561782598495, , , , , , , , 2.74587488174438, -0.367659538984299, 30.9752521514893, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC22H27NO2%2Fc1-23-19%2815-21%2824%2917-9-4-2-5-10-17%2913-8-14-20%2823%2916-22%2825%2918-11-6-3-7-12-18%2Fh2-7%2C9-12%2C19-21%2C24H%2C8%2C13-16H2%2C1H3%2Ft19-%2C20%2B%2C21-%2Fm0%2Fs1, 10.496922492981, 0.145563542842865, , , , , , , , 5.38786125183105, -0.392208516597748, 15.9959268569946, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC23H30ClN3O%2Fc1-5-27%286-2%2913-7-8-16%283%2925-23-19-11-9-17%2824%2914-22%2819%2926-21-12-10-18%2828-4%2915-20%2821%2923%2Fh9-12%2C14-16H%2C5-8%2C13H2%2C1-4H3%2C%28H%2C25%2C26%29, 11.7252082824707, 0.201413407921791, , , , , , , , 4.95198822021484, -0.373922497034073, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC21H23NO3%2Fc1-22%282%2911-5-8-18-17-7-4-3-6-16%2817%2914-25-20-10-9-15%2812-19%2818%2920%2913-21%2823%2924%2Fh3-4%2C6-10%2C12H%2C5%2C11%2C13-14H2%2C1-2H3%2C%28H%2C23%2C24%29, 12.0577430725098, 0.279365032911301, , , , , , , , 4.02942132949829, -0.369448512792587, 15.9987125396729, , , , 11.9961462020874, , , , , , , 
-InChI%3D1S%2FC21H26N2O7%2Fc1-12%282%2930-21%2825%2918-14%284%2922-13%283%2917%2820%2824%2929-10-9-28-5%2919%2818%2915-7-6-8-16%2811-15%2923%2826%2927%2Fh6-8%2C11-12%2C19%2C22H%2C9-10H2%2C1-5H3, 13.0464525222778, 0.29238560795784, , , , , , , , 3.79232454299927, -0.38160166144371, 16.0009593963623, , , , 11.8900003433228, , , , , , , 
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-InChI%3D1S%2FC17H19N3O3S%2Fc1-10-8-18-15%2811%282%2916%2810%2923-4%299-24%2821%2917-19-13-6-5-12%2822-3%297-14%2813%2920-17%2Fh5-8H%2C9H2%2C1-4H3%2C%28H%2C19%2C20%29, 11.153416633606, 0.225847870111465, , , , , , , , 4.84477472305298, -0.374884486198425, 31.9720726013184, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC16H19N3O4S%2Fc1-8-7-24-15-11%2814%2821%2919%2815%2912%288%2916%2822%2923%2918-13%2820%2910%2817%299-5-3-2-4-6-9%2Fh2-3%2C6%2C10-11%2C15H%2C4-5%2C7%2C17H2%2C1H3%2C%28H%2C18%2C20%29%28H%2C22%2C23%29%2Ft10-%2C11%3F%2C15-%2Fm1%2Fs1, 11.769341468811, 0.302191346883774, , , , , , , , 4.69690179824829, -0.34695965051651, 31.9720726013184, , , , 11.8999996185303, , , , , , , 
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-InChI%3D1S%2FC14H22ClNO%2Fc1-11%2810-16%283%294%2914%282%2C17%299-12-5-7-13%2815%298-6-12%2Fh5-8%2C11%2C17H%2C9-10H2%2C1-4H3, 10.3386039733887, 0.103046745061874, , , , , , , , 5.87105751037598, -0.389237940311432, 34.9688529968262, , , , 11.9933557510376, , , , , , , 
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-InChI%3D1S%2FC21H28O5%2Fc1-19-7-5-13%2823%299-12%2819%293-4-14-15-6-8-21%2826%2C17%2825%2911-22%2920%2815%2C2%2910-16%2824%2918%2814%2919%2Fh5%2C7%2C9%2C14-16%2C18%2C22%2C24%2C26H%2C3-4%2C6%2C8%2C10-11H2%2C1-2H3%2Ft14%3F%2C15-%2C16-%2C18%2B%2C19-%2C20%3F%2C21-%2Fm0%2Fs1, 12.7961540222168, 0.190017476677895, , , , , , , , 4.53787565231323, -0.392759829759598, 15.9989414215088, , , , 11.8900003433228, , , , , , , 
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-InChI%3D1S%2FC19H39N5O7%2Fc1-19%2827%297-28-18%2813%2826%2916%2819%2924-2%2931-15-11%2823%295-10%2822%2914%2812%2815%2925%2930-17-9%2821%294-3-8%286-20%2929-17%2Fh8-18%2C24-27H%2C3-7%2C20-23H2%2C1-2H3%2Ft8-%2C9%2B%2C10-%2C11%2B%2C12-%2C13%2B%2C14%3F%2C15%3F%2C16%2B%2C17%3F%2C18%3F%2C19%3F%2Fm0%2Fs1, 10.1342058181763, 0.186446160078049, , , , , , , , 5.11283254623413, -0.410435646772385, 16.0016784667969, , , , 11.9961566925049, , , , , , , 
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-InChI%3D1S%2FC25H38O5%2Fc1-6-25%284%2C5%2924%2828%2930-21-12-15%282%2911-17-8-7-16%283%2920%2823%2817%2921%2910-9-19-13-18%2826%2914-22%2827%2929-19%2Fh7-8%2C11%2C15-16%2C18-21%2C23%2C26H%2C6%2C9-10%2C12-14H2%2C1-5H3%2Ft15-%2C16-%2C18%2B%2C19%2B%2C20-%2C21-%2C23%3F%2Fm0%2Fs1, 12.3148565292358, 0.267872631549835, , , , , , , , 4.24458503723145, -0.391944229602814, 15.9989461898804, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC17H28N4O3S2%2Fc1-12%2816%285-6-22%2926-25-10-15-4-3-7-24-15%2921%2811-23%299-14-8-19-13%282%2920-17%2814%2918%2Fh8%2C15%2C22-23H%2C3-7%2C9-11H2%2C1-2H3%2C%28H2%2C18%2C19%2C20%29, 13.3847064971924, 0.100743271410465, , , , , , , , 4.77446794509888, -0.398236185312271, 31.9730739593506, , , , 11.9966688156128, , , , , , , 
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-InChI%3D1S%2FC13H18Br2N2O%2Fc14-9-5-8%2813%2816%2912%2815%296-9%297-17-10-1-3-11%2818%294-2-10%2Fh5-6%2C10-11%2C17-18H%2C1-4%2C7%2C16H2%2Ft10-%2C11-, 11.333872795105, 0.103643447160721, , , , , , , , 4.83952569961548, -0.392532467842102, 78.9193344116211, , , , 11.9933710098267, , , , , , , 
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-InChI%3D1S%2FC42H66O14%2Fc1-20-37%2849-6%2929%2843%2916-35%2851-20%2955-39-22%283%2953-36%2818-31%2839%2945%2956-38-21%282%2952-34%2817-30%2838%2944%2954-25-9-11-40%284%2924%2814-25%297-8-27-28%2840%2915-32%2846%2941%285%2926%2810-12-42%2827%2C41%2948%2923-13-33%2847%2950-19-23%2Fh13%2C20-22%2C24-32%2C34-39%2C43-46%2C48H%2C7-12%2C14-19H2%2C1-6H3%2Ft20-%2C21-%2C22-%2C24-%2C25%2B%2C26-%2C27%3F%2C28%2B%2C29%2B%2C30%3F%2C31%2B%2C32-%2C34%2B%2C35%2B%2C36%2B%2C37%3F%2C38%3F%2C39%3F%2C40%3F%2C41%3F%2C42%2B%2Fm1%2Fs1, 13.0724143981934, 0.286522626876831, , , , , , , , 4.26028871536255, -0.392467945814133, 16.0080623626709, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC18H37N5O10%2Fc19-2-6-11%2826%2912%2827%299%2823%2917%2830-6%2932-15-4%2820%291-5%2821%2916%2814%2815%2929%2933-18-13%2828%298%2822%2910%2825%297%283-24%2931-18%2Fh4-18%2C24-29H%2C1-3%2C19-23H2%2Ft4-%2C5%2B%2C6%2B%2C7%3F%2C8-%2C9%3F%2C10%2B%2C11%2B%2C12%2B%2C13%2B%2C14-%2C15%3F%2C16%3F%2C17%2B%2C18%3F%2Fm0%2Fs1, 10.1819639205933, 0.186918452382088, , , , , , , , 4.4076976776123, -0.411837369203568, 16.0044574737549, , , , 11.9961633682251, , , , , , , 
-InChI%3D1S%2FC34H57N2O4.BrH%2Fc1-23%2837%2939-31-20-25-12-13-26-27%2834%2825%2C4%2922-29%2831%2935-16-8-6-9-17-35%2914-15-33%283%2928%2826%2921-30%2832%2833%2940-24%282%2938%2936%285%2918-10-7-11-19-36%3B%2Fh25-32H%2C6-22H2%2C1-5H3%3B1H%2Fq%2B1%3B%2Fp-1%2Ft25-%2C26%3F%2C27-%2C28-%2C29%3F%2C30%3F%2C31-%2C32%3F%2C33-%2C34%3F%3B%2Fm0.%2Fs1, 13.3264484405518, 0.259950876235962, , , , , , , , 3.49999022483826, -0.341467142105103, 78.9183349609375, , , , 11.9942331314087, , , , , , , 
-InChI%3D1S%2FC17H27NO4%2Fc1-17%282%2C3%2918-9-12%2819%2910-22-16-6-4-5-11-7-14%2820%2915%2821%298-13%2811%2916%2Fh4-6%2C12%2C14-15%2C18-21H%2C7-10H2%2C1-3H3%2Ft12%3F%2C14-%2C15%2B%2Fm1%2Fs1, 10.0020713806152, 0.109462410211563, , , , , , , , 5.15756893157959, -0.390828609466553, 15.9979333877563, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC21H29NO%2Fc23-21%2819-7-3-1-4-8-19%2C13-16-22-14-5-2-6-15-22%2920-11-9-18%2817-20%2910-12-20%2Fh1%2C3-4%2C7-9%2C11%2C18%2C23H%2C2%2C5-6%2C10%2C12-17H2, 12.8679141998291, 0.0958016738295555, , , , , , , , 6.84426212310791, -0.387771606445312, 15.9949207305908, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC11H17BrN.C7H8O3S%2Fc1-4-13%282%2C3%299-10-7-5-6-8-11%2810%2912%3B1-6-2-4-7%285-3-6%2911%288%2C9%2910%2Fh5-8H%2C4%2C9H2%2C1-3H3%3B2-5H%2C1H3%2C%28H%2C8%2C9%2C10%29%2Fq%2B1%3B%2Fp-1, 10.8561849594116, 0.376116693019867, , , , , , , , 5.9461498260498, -0.347961694002151, 78.9183349609375, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC30H46NO7P%2Fc1-4-28%2833%2937-30%2822%282%293%2938-39%2836%2C18-12-11-15-23-13-7-5-8-14-23%2921-27%2832%2931-20-25%2819-26%2831%2929%2834%2935%2924-16-9-6-10-17-24%2Fh5%2C7-8%2C13-14%2C22%2C24-26%2C30H%2C4%2C6%2C9-12%2C15-21H2%2C1-3H3%2C%28H%2C34%2C35%29%2Ft25-%2C26%2B%2C30%3F%2C39%3F%2Fm1%2Fs1, 10.4220199584961, 0.276669681072235, , , , , , , , 4.27947854995728, -0.330584108829498, 30.9737644195557, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC14H16N2O2%2Fc1-3-18-14%2817%2913-9-15-10-16%2813%2911%282%2912-7-5-4-6-8-12%2Fh4-11H%2C3H2%2C1-2H3, 10.3119029998779, 0.286425054073334, , , , , , , , 4.78127956390381, -0.314423143863678, 15.9959239959717, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC9H11NO2%2Fc1-2-12-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3, 8.52862739562988, 0.269431591033936, , , , , , , , 4.54796075820923, -0.323032528162003, 15.9959201812744, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC11H17N3O3S%2Fc1-2-3-8-13-11%2815%2914-18%2816%2C17%2910-6-4-9%2812%295-7-10%2Fh4-7H%2C2-3%2C8%2C12H2%2C1H3%2C%28H2%2C13%2C14%2C15%29, 11.3743810653687, 0.227447718381882, , , , , , , , 5.14401721954346, -0.335219860076904, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC20H28O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C12%2C14-18%2C21-22H%2C4-11H2%2C2H3%2Ft14-%2C15%3F%2C16%2B%2C17%3F%2C18-%2C19%3F%2C20-%2Fm0%2Fs1, 12.0389032363892, 0.131189256906509, , , , , , , , 5.20030117034912, -0.388540416955948, 15.995924949646, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC26H30Cl2F3NO%2Fc1-3-5-10-32%2811-6-4-2%2912-9-25%2833%2923-16-22-21%2814-18%2827%2915-24%2822%2928%2920-13-17%2826%2829%2C30%2931%297-8-19%2820%2923%2Fh7-8%2C13-16%2C25%2C33H%2C3-6%2C9-12H2%2C1-2H3, 11.6630353927612, 0.416888117790222, , , , , , , , 3.74345445632935, -0.391897737979889, 34.969856262207, , , , 11.9973621368408, , , , , , , 
-InChI%3D1S%2FC12H13Cl2N3%2Fc1-2-8-17%2812-15-6-7-16-12%2911-9%2813%294-3-5-10%2811%2914%2Fh2-5H%2C1%2C6-8H2%2C%28H%2C15%2C16%29, 11.8855085372925, 0.16182005405426, , , , , , , , 5.68242263793945, -0.262285768985748, 34.970157623291, , , , 11.9985237121582, , , , , , , 
-InChI%3D1S%2FC20H27N5O3%2Fc1-4-24%2812-13-26%2910-11-25-16%2814-15-8-6-5-7-9-15%2921-18-17%2825%2919%2827%2923%283%2920%2828%2922%2818%292%2Fh5-9%2C26H%2C4%2C10-14H2%2C1-3H3, 10.901951789856, 0.285416543483734, , , , , , , , 4.19620847702026, -0.394495815038681, 15.99693775177, , , , 11.9932918548584, , , , , , , 
-InChI%3D1S%2FC19H27NO%2Fc1-13%282%297-9-20-10-8-19%284%2914%283%2918%2820%2911-15-5-6-16%2821%2912-17%2815%2919%2Fh5-7%2C12%2C14%2C18%2C21H%2C8-11H2%2C1-4H3%2Ft14-%2C18%2B%2C19%3F%2Fm0%2Fs1, 12.1076803207397, 0.10190923511982, , , , , , , , 5.19378519058228, -0.385733336210251, 15.9949197769165, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC15H10Cl2N2O2%2Fc16-8-5-6-12-10%287-8%2913%2819-15%2821%2914%2820%2918-12%299-3-1-2-4-11%289%2917%2Fh1-7%2C15%2C21H%2C%28H%2C18%2C20%29, 11.7634506225586, 0.213699296116829, , , , , , , , 5.41053915023804, -0.364861816167831, 34.969856262207, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H22N2OS%2Fc1-14%2822%2915-9-10-19-17%2813-15%2921%2812-6-11-20%282%293%2916-7-4-5-8-18%2816%2923-19%2Fh4-5%2C7-10%2C13H%2C6%2C11-12H2%2C1-3H3, 12.1072969436646, 0.197376236319542, , , , , , , , 4.76541471481323, -0.309277355670929, 31.9720726013184, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC29H55N5O18%2Fc30-3-11-23%2851-28-20%2843%2919%2842%2917%2840%2913%285-36%2947-28%2918%2841%2915%2834%2927%2845-11%2950-24-14%286-37%2948-29%2821%2824%2944%2952-25-16%2839%297%2831%291-8%2832%2922%2825%2949-26-9%2833%292-10%2838%2912%284-35%2946-26%2Fh7-29%2C35-44H%2C1-6%2C30-34H2%2Ft7%3F%2C8%3F%2C9-%2C10%2B%2C11%3F%2C12%2B%2C13%2B%2C14%3F%2C15%3F%2C16-%2C17%2B%2C18%2B%2C19-%2C20-%2C21-%2C22%2B%2C23%2B%2C24-%2C25%3F%2C26%3F%2C27%2B%2C28%3F%2C29%3F%2Fm1%2Fs1, 10.5292739868164, 0.190158739686012, , , , , , , , 4.36442136764526, -0.39398005604744, 16.012092590332, , , , 11.9932384490967, , , , , , , 
-InChI%3D1S%2FC6H12O6%2Fc7-2-6%2811%295%2810%294%289%293%288%291-12-6%2Fh3-5%2C7-11H%2C1-2H2%2Ft3-%2C4-%2C5%3F%2C6-%2Fm1%2Fs1, 8.14170169830322, 0.219257682561874, , , , , , , , 4.33347606658936, -0.406454354524612, 16.0007839202881, , , , 11.9963550567627, , , , , , , 
-InChI%3D1S%2FC18H37N5O8%2Fc19-4-6-1-2-7%2820%2917%2828-6%2930-15-8%2821%293-9%2822%2916%2814%2815%2927%2931-18-13%2826%2911%2823%2912%2825%2910%285-24%2929-18%2Fh6-18%2C24-27H%2C1-5%2C19-23H2%2Ft6-%2C7%3F%2C8-%2C9%2B%2C10%2B%2C11-%2C12%2B%2C13%2B%2C14-%2C15%3F%2C16-%2C17%2B%2C18%3F%2Fm0%2Fs1, 10.1379280090332, 0.186846271157265, , , , , , , , 4.40752696990967, -0.410458624362946, 16.0025806427002, , , , 11.9961633682251, , , , , , , 
-InChI%3D1S%2FC9H13N%2Fc1-8%2810%297-9-5-3-2-4-6-9%2Fh2-6%2C8H%2C7%2C10H2%2C1H3%2Ft8-%2Fm0%2Fs1, 8.73444271087646, 0.129019856452942, , , , , , , , 5.55503845214844, -0.327511936426163, 14.0030784606934, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC12H18N2O3S%2Fc1-3-4-9-13-12%2815%2914-18%2816%2C17%2911-7-5-10%282%296-8-11%2Fh5-8H%2C3-4%2C9H2%2C1-2H3%2C%28H2%2C13%2C14%2C15%29, 11.3954029083252, 0.227434813976288, , , , , , , , 5.14409971237183, -0.335152179002762, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC18H16O3%2Fc1-2-13%2812-8-4-3-5-9-12%2916-17%2819%2914-10-6-7-11-15%2814%2921-18%2816%2920%2Fh3-11%2C13%2C19H%2C2H2%2C1H3, 11.2016830444336, 0.268183529376984, , , , , , , , 5.12734365463257, -0.415571123361588, 15.9987096786499, , , , 11.9961633682251, , , , , , , 
-InChI%3D1S%2FC11H15NO%2Fc1-9-11%2813-8-7-12-9%2910-5-3-2-4-6-10%2Fh2-6%2C9%2C11-12H%2C7-8H2%2C1H3, 9.46795463562012, 0.145723283290863, , , , , , , , 6.34890460968018, -0.373982310295105, 15.9949178695679, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC12H22O11%2Fc13-1-3-5%2815%296%2816%299%2819%2912%2822-3%2923-10-4%282-14%2921-11%2820%298%2818%297%2810%2917%2Fh3-20H%2C1-2H2%2Ft3-%2C4-%2C5%2B%2C6%2B%2C7-%2C8-%2C9-%2C10%3F%2C11-%2C12%3F%2Fm1%2Fs1, 9.40248203277588, 0.188193827867508, , , , , , , , 4.35807514190674, -0.407123416662216, 16.0053730010986, , , , 11.9962186813354, , , , , , , 
-InChI%3D1S%2FC18H19N3O6S%2Fc1-9%2822%2927-7-11-8-28-17-13%2816%2824%2921%2817%2914%2811%2918%2825%2926%2920-15%2823%2912%2819%2910-5-3-2-4-6-10%2Fh2-6%2C12-13%2C17H%2C7-8%2C19H2%2C1H3%2C%28H%2C20%2C23%29%28H%2C25%2C26%29%2Ft12-%2C13-%2C17-%2Fm1%2Fs1, 11.8442802429199, 0.302325218915939, , , , , , , , 3.97277331352234, -0.347227931022644, 31.9720726013184, , , , 11.8999996185303, , , , , , , 
-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, 10.2236175537109, 0.269022792577744, , , , , , , , 4.93945121765137, -0.415621072053909, 16.0008010864258, , , , 11.9961566925049, , , , , , , 
-InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3, 9.46119403839111, 0.0678824782371521, , , , , , , , 5.45230579376221, -0.392198026180267, 15.9949169158936, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC9H18N2O4%2Fc1-3-4-9%282%2C5-14-7%2810%2912%296-15-8%2811%2913%2Fh3-6H2%2C1-2H3%2C%28H2%2C10%2C12%29%28H2%2C11%2C13%29, 10.08837890625, 0.295010477304459, , , , , , , , 4.30950880050659, -0.345448672771454, 15.9992904663086, , , , 11.9962682723999, , , , , , , 
-InChI%3D1S%2FC22H29NO2%2Fc1-5-21%2824%2925-22%2818%282%2917-23%283%294%2C20-14-10-7-11-15-20%2916-19-12-8-6-9-13-19%2Fh6-15%2C18H%2C5%2C16-17H2%2C1-4H3%2Ft18-%2C22%2B%2Fm0%2Fs1, 13.3569736480713, 0.261835068464279, , , , , , , , 4.85844707489014, -0.309294193983078, 15.9959268569946, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC9H9Cl2N3%2Fc10-6-2-1-3-7%2811%298%286%2914-9-12-4-5-13-9%2Fh1-3H%2C4-5H2%2C%28H2%2C12%2C13%2C14%29, 10.7430067062378, 0.171746239066124, , , , , , , , 6.59774446487427, -0.284788191318512, 34.9698524475098, , , , 11.9944458007812, , , , , , , 
-InChI%3D1S%2FC14H18N2O%2Fc1-10%282%2913-11%283%2915%284%2916%2814%2813%2917%2912-8-6-5-7-9-12%2Fh5-10H%2C1-4H3, 10.5515804290771, 0.22189462184906, , , , , , , , 5.62503814697266, -0.278652876615524, 15.9949188232422, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC13H14ClNO2%2Fc1-9%2813%2816%2917%2910-4-5-12%2811%2814%298-10%2915-6-2-3-7-15%2Fh2-5%2C8-9H%2C6-7H2%2C1H3%2C%28H%2C16%2C17%29, 10.496280670166, 0.262366056442261, , , , , , , , 4.30341148376465, -0.331372708082199, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC20H26N4O%2Fc1-4-24%285-2%2920%2825%2922-14-10-16-15-7-6-8-17-19%2815%2913%2811-21-17%299-18%2816%2923%283%2912-14%2Fh6-8%2C10-11%2C14%2C18%2C21H%2C4-5%2C9%2C12H2%2C1-3H3%2C%28H%2C22%2C25%29%2Ft14-%2C18%2B%2Fm0%2Fs1, 11.542685508728, 0.234626993536949, , , , , , , , 5.64792966842651, -0.357053816318512, 15.9979486465454, , , , 11.996150970459, , , , , , , 
-InChI%3D1S%2FC23H36N2O2%2Fc1-21%282%2C3%2925-20%2827%2917-8-7-15-14-6-9-18-23%285%2C13-11-19%2826%2924-18%2916%2814%2910-12-22%2815%2C17%294%2Fh11%2C13-18H%2C6-10%2C12H2%2C1-5H3%2C%28H%2C24%2C26%29%28H%2C25%2C27%29%2Ft14%3F%2C15%3F%2C16-%2C17%2B%2C18%2B%2C22-%2C23%2B%2Fm0%2Fs1, 12.4808025360107, 0.205251052975655, , , , , , , , 5.22136735916138, -0.3483547270298, 15.9959278106689, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC27H29NO11%2Fc1-10-22%2831%2913%2828%296-17%2838-10%2939-15-8-27%2836%2C16%2830%299-29%297-12-19%2815%2926%2835%2921-20%2824%2812%2933%2923%2832%2911-4-3-5-14%2837-2%2918%2811%2925%2821%2934%2Fh3-5%2C10%2C13%2C15%2C17%2C22%2C29%2C31%2C33%2C35-36H%2C6-9%2C28H2%2C1-2H3%2Ft10-%2C13-%2C15-%2C17-%2C22%2B%2C27-%2Fm0%2Fs1, 11.5591621398926, 0.235784903168678, , , , , , , , 4.45343732833862, -0.389404326677322, 16.0084438323975, , , , 11.9883556365967, , , , , , , 
-InChI%3D1S%2FC13H10N2O4%2Fc16-10-6-5-9%2811%2817%2914-10%2915-12%2818%297-3-1-2-4-8%287%2913%2815%2919%2Fh1-4%2C9H%2C5-6H2%2C%28H%2C14%2C16%2C17%29, 10.2622337341309, 0.295542180538177, , , , , , , , 4.86709594726562, -0.355953752994537, 16.0062847137451, , , , 11.9885129928589, , , , , , , 
-InChI%3D1S%2FC20H28N2O5%2Fc1-3-27-20%2826%2916%2812-11-15-8-5-4-6-9-15%2921-14%282%2918%2823%2922-13-7-10-17%2822%2919%2824%2925%2Fh4-6%2C8-9%2C14%2C16-17%2C21H%2C3%2C7%2C10-13H2%2C1-2H3%2C%28H%2C24%2C25%29%2Ft14-%2C16-%2C17-%2Fm0%2Fs1, 10.2119932174683, 0.296237647533417, , , , , , , , 4.3322811126709, -0.34969687461853, 16.0000095367432, , , , 11.996150970459, , , , , , , 
-InChI%3D1S%2FC8H18NO2.ClH%2Fc1-7%2811-8%282%2910%296-9%283%2C4%295%3B%2Fh7H%2C6H2%2C1-5H3%3B1H%2Fq%2B1%3B%2Fp-1, 8.98940849304199, 0.258654147386551, , , , , , , , 2.3429970741272, -0.382585138082504, 34.9688529968262, , , , 11.9934787750244, , , , , , , 
-InChI%3D1S%2FC17H14Cl2N2O2%2Fc18-11-5-6-15-13%287-11%2917%2812-3-1-2-4-14%2812%2919%299-23-10-21%2817%298-16%2822%2920-15%2Fh1-7H%2C8-10H2%2C%28H%2C20%2C22%29, 13.8363180160522, 0.151138439774513, , , , , , , , 5.56673860549927, -0.363475292921066, 34.970157623291, , , , 11.9985122680664, , , , , , , 
-InChI%3D1S%2FC8H11N5O3%2Fc9-8-11-6-5%287%2815%2912-8%2910-3-13%286%294-16-2-1-14%2Fh3%2C14H%2C1-2%2C4H2%2C%28H3%2C9%2C11%2C12%2C15%29, 9.07805633544922, 0.290821075439453, , , , , , , , 3.80325055122375, -0.393497914075851, 15.9969282150269, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC5H10O5%2Fc6-2-1-10-5%289%294%288%293%282%297%2Fh2-9H%2C1H2%2Ft2%3F%2C3-%2C4%2B%2C5%3F%2Fm0%2Fs1, 7.42036724090576, 0.184111759066582, , , , , , , , 4.47870492935181, -0.410111427307129, 15.9999876022339, , , , 11.9964008331299, , , , , , , 
-InChI%3D1S%2FC26H28ClNO%2Fc1-28%282%2919-20-29-24-15-13-23%2814-16-24%2926%2822-11-7-4-8-12-22%2925%2817-18-27%2921-9-5-3-6-10-21%2Fh3-16H%2C17-20H2%2C1-2H3, 13.1097936630249, 0.143862828612328, , , , , , , , 5.54861307144165, -0.369418978691101, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC25H32ClN5O2%2Fc1-2-24-27-31%2825%2832%2930%2824%2918-19-33-23-10-4-3-5-11-23%2913-7-12-28-14-16-29%2817-15-28%2922-9-6-8-21%2826%2920-22%2Fh3-6%2C8-11%2C20H%2C2%2C7%2C12-19H2%2C1H3, 9.93622875213623, 0.29258269071579, , , , , , , , 5.29628801345825, -0.36942845582962, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC4H6N4O12%2Fc9-5%2810%2917-1-3%2819-7%2813%2914%294%2820-8%2815%2916%292-18-6%2811%2912%2Fh3-4H%2C1-2H2%2Ft3-%2C4%2B, 8.05626201629639, 0.286678850650787, , , , , , , , 2.84898447990417, -0.214932858943939, 16.0178508758545, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC18H17ClN2O2%2Fc1-12-10-21-11-17%2822%2920-16-8-7-14%2819%299-15%2816%2918%2821%2C23-12%2913-5-3-2-4-6-13%2Fh2-9%2C12H%2C10-11H2%2C1H3%2C%28H%2C20%2C22%29%2Ft12-%2C18%2B%2Fm1%2Fs1, 13.2681932449341, 0.157152831554413, , , , , , , , 5.57547187805176, -0.354294002056122, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC12H17N3O4S%2Fc1-6%2816%299-7-4-8%2820-3-2-14-5-13%2910%2812%2818%2919%2915%287%2911%289%2917%2Fh5-7%2C9%2C16H%2C2-4H2%2C1H3%2C%28H2%2C13%2C14%29%28H%2C18%2C19%29%2Ft6-%2C7-%2C9-%2Fm1%2Fs1, 12.0265846252441, 0.302970409393311, , , , , , , , 4.53579902648926, -0.393796473741531, 31.9720726013184, , , , 11.9779472351074, , , , , , , 
-InChI%3D1S%2FC20H24N2%2Fc1-15%2819-10-6-7-12-21-19%2920-17%2811-13-22%282%293%2914-16-8-4-5-9-18%2816%2920%2Fh4-10%2C12%2C15H%2C11%2C13-14H2%2C1-3H3, 12.1339769363403, 0.0672744810581207, , , , , , , , 5.83566331863403, -0.308646231889725, 14.0040941238403, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC24H32O6%2Fc1-13-9-16-17-6-8-24%2829%2C20%2828%2912-30-14%282%2925%2923%2817%2C4%2911-19%2827%2921%2816%2922%283%297-5-15%2826%2910-18%2813%2922%2Fh5%2C7%2C10%2C13%2C16-17%2C19%2C21%2C27%2C29H%2C6%2C8-9%2C11-12H2%2C1-4H3%2Ft13-%2C16%3F%2C17-%2C19-%2C21%2B%2C22%3F%2C23%3F%2C24-%2Fm0%2Fs1, 13.1185235977173, 0.258522748947144, , , , , , , , 3.86919164657593, -0.392613023519516, 15.9999513626099, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC23H29ClFN3O4%2Fc1-30-21-13-19%2826%2918%2824%2912-17%2821%2923%2829%2927-20-8-10-28%2814-22%2820%2931-2%299-3-11-32-16-6-4-15%2825%295-7-16%2Fh4-7%2C12-13%2C20%2C22H%2C3%2C8-11%2C14%2C26H2%2C1-2H3%2C%28H%2C27%2C29%29, 10.39271068573, 0.152968734502792, , , , , , , , 3.95049214363098, -0.400715917348862, 34.9688529968262, , , , 11.9961366653442, , , , , , , 
-InChI%3D1S%2FC15H14F3N3O4S2%2Fc16-15%2817%2C18%2910-7-11-13%288-12%2810%2926%2819%2C22%2923%2927%2824%2C25%2921-14%2820-11%296-9-4-2-1-3-5-9%2Fh1-5%2C7-8%2C14%2C20-21H%2C6H2%2C%28H2%2C19%2C22%2C23%29, 12.8540849685669, 0.418235927820206, , , , , , , , 4.24096202850342, -0.291721016168594, 31.9730739593506, , , , 11.9974021911621, , , , , , , 
-InChI%3D1S%2FC14H10O5%2Fc15-11-7-3-1-5-9%2811%2914%2818%2919-12-8-4-2-6-10%2812%2913%2816%2917%2Fh1-8%2C15H%2C%28H%2C16%2C17%29, 9.06849193572998, 0.28929278254509, , , , , , , , 4.29210948944092, -0.384879589080811, 15.9999971389771, , , , 11.9961957931519, , , , , , , 
-InChI%3D1S%2FC10H15N%2Fc1-10%282%2C11%298-9-6-4-3-5-7-9%2Fh3-7H%2C8%2C11H2%2C1-2H3, 9.05280780792236, 0.129045382142067, , , , , , , , 6.18378257751465, -0.325340628623962, 14.0030794143677, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC6H11IO3%2Fc7-2-1-6-9-4-5%283-8%2910-6%2Fh5-6%2C8H%2C1-4H2, 10.4958000183105, 0.178686201572418, , , , , , , , 4.12618446350098, -0.393050163984299, 126.904472351074, , , , 11.9968357086182, , , , , , , 
-InChI%3D1S%2FC10H13FN5O7P%2Fc11-10-14-7%2812%294-8%2815-10%2916%282-13-4%299-6%2818%295%2817%293%2823-9%291-22-24%2819%2C20%2921%2Fh2-3%2C5-6%2C9%2C17-18H%2C1H2%2C%28H2%2C12%2C14%2C15%29%28H2%2C19%2C20%2C21%29%2Ft3%3F%2C5-%2C6%2B%2C9%3F%2Fm1%2Fs1, 9.68081569671631, 0.44892480969429, , , , , , , , 2.46569585800171, -0.387769997119904, 30.973762512207, , , , 11.9884366989136, , , , , , , 
-InChI%3D1S%2FC14H19NO5%2Fc1-17-11-8-10%289-12%2818-2%2913%2811%2919-3%2914%2816%2915-4-6-20-7-5-15%2Fh8-9H%2C4-7H2%2C1-3H3, 9.83016777038574, 0.210988134145737, , , , , , , , 5.02592849731445, -0.378318190574646, 15.9989347457886, , , , 11.9943561553955, , , , , , , 
-InChI%3D1S%2FC2H4Cl3O4P%2Fc3-2%284%2C5%291-9-10%286%2C7%298%2Fh1H2%2C%28H2%2C6%2C7%2C8%29, 10.147876739502, 0.464828222990036, , , , , , , , 2.58455586433411, -0.315106719732285, 34.9708557128906, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC14H10F3NO2%2Fc15-14%2816%2C17%299-4-3-5-10%288-9%2918-12-7-2-1-6-11%2812%2913%2819%2920%2Fh1-8%2C18H%2C%28H%2C19%2C20%29, 9.80841827392578, 0.416894733905792, , , , , , , , 3.60162401199341, -0.331098139286041, 19.001256942749, , , , 11.9974088668823, , , , , , , 
-InChI%3D1S%2FC10H13ClN2O3S%2Fc1-2-7-12-10%2814%2913-17%2815%2C16%299-5-3-8%2811%294-6-9%2Fh3-6H%2C2%2C7H2%2C1H3%2C%28H2%2C12%2C13%2C14%29, 11.4732818603516, 0.227451965212822, , , , , , , , 5.16189002990723, -0.335149824619293, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC2H5NO2%2Fc3-1-2%284%295%2Fh1%2C3H2%2C%28H%2C4%2C5%29, 5.35575437545776, 0.292110592126846, , , , , , , , 3.3654956817627, -0.350001335144043, 15.9982576370239, , , , 11.9966878890991, , , , , , , 
-InChI%3D1S%2FC20H25NO2S2%2Fc1-14-7-11-24-18%2814%2917%2819-15%282%298-12-25-19%296-4-10-21-9-3-5-16%2813-21%2920%2822%2923%2Fh6-8%2C11-12%2C16H%2C3-5%2C9-10%2C13H2%2C1-2H3%2C%28H%2C22%2C23%29%2Ft16-%2Fm1%2Fs1, 13.8063335418701, 0.263341397047043, , , , , , , , 4.24095249176025, -0.331379175186157, 31.9730739593506, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC17H19NO4%2Fc1-18-7-6-16-13-9-2-3-10%2819%2914%2813%2922-15%2816%2911%2820%294-5-17%2816%2C21%2912%2818%298-9%2Fh2-3%2C12%2C15%2C19%2C21H%2C4-8H2%2C1H3%2Ft12-%2C15%2B%2C16%2B%2C17-%2Fm1%2Fs1, 13.0950689315796, 0.246727362275124, , , , , , , , 5.21035766601562, -0.38751283288002, 15.9979333877563, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC20H33N2O.CH4O4S%2Fc1-22%282%2915-13-21%2814-16-22%2917-20%2823%2C18-9-5-3-6-10-18%2919-11-7-4-8-12-19%3B1-5-6%282%2C3%294%2Fh3%2C5-6%2C9-10%2C19%2C23H%2C4%2C7-8%2C11-17H2%2C1-2H3%3B1H3%2C%28H%2C2%2C3%2C4%29%2Fq%2B1%3B%2Fp-1, 12.33522605896, 0.483926385641098, , , , , , , , 5.03997993469238, -0.387150943279266, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC8H8N4%2Fc9-11-8-7-4-2-1-3-6%287%295-10-12-8%2Fh1-5H%2C9H2%2C%28H%2C11%2C12%29, 9.69508457183838, 0.180946782231331, , , , , , , , 5.07860517501831, -0.251305669546127, 14.0060901641846, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC22H24ClN3O%2Fc1-25-13-4-5-18%2812-14-25%2926-22%2827%2920-7-3-2-6-19%2820%2921%2824-26%2915-16-8-10-17%2823%2911-9-16%2Fh2-3%2C6-11%2C18H%2C4-5%2C12-15H2%2C1H3, 11.3762731552124, 0.300842881202698, , , , , , , , 5.74587106704712, -0.354482471942902, 34.9688529968262, , , , 11.988395690918, , , , , , , 
-InChI%3D1S%2FC12H15ClO3%2Fc1-4-15-11%2814%2912%282%2C3%2916-10-7-5-9%2813%296-8-10%2Fh5-8H%2C4H2%2C1-3H3, 9.36204051971436, 0.293337613344193, , , , , , , , 4.72073125839233, -0.354593575000763, 34.9688529968262, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC12H10N2O5%2Fc1-2-14-7-4-9-8%2818-5-19-9%293-6%287%2911%2815%2910%2813-14%2912%2816%2917%2Fh3-4H%2C2%2C5H2%2C1H3%2C%28H%2C16%2C17%29, 10.3154726028442, 0.284847021102905, , , , , , , , 4.3503270149231, -0.343029350042343, 15.9989347457886, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC8H12N4O5%2Fc9-6%2816%297-10-2-12%2811-7%298-5%2815%294%2814%293%281-13%2917-8%2Fh2-5%2C8%2C13-15H%2C1H2%2C%28H2%2C9%2C16%29%2Ft3%3F%2C4-%2C5-%2C8-%2Fm1%2Fs1, 8.83913707733154, 0.241183340549469, , , , , , , , 4.16364288330078, -0.410181403160095, 16.0, , , , 11.9962921142578, , , , , , , 
-InChI%3D1S%2FC28H38O7%2Fc1-5-6-7-24%2833%2935-28%2823%2832%2916-34-17%282%2929%2913-11-21-20-9-8-18-14-19%2830%2910-12-26%2818%2C3%2925%2820%2922%2831%2915-27%2821%2C28%294%2Fh10%2C12%2C14%2C20-22%2C25%2C31H%2C5-9%2C11%2C13%2C15-16H2%2C1-4H3%2Ft20%3F%2C21-%2C22-%2C25%2B%2C26-%2C27-%2C28-%2Fm0%2Fs1, 13.287163734436, 0.301893502473831, , , , , , , , 3.90854573249817, -0.392563939094543, 16.0009632110596, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC24H32O4%2Fc1-4-22%2825%2927-16-7-9-17-15%2814-16%296-8-19-18%2817%2912-13-24%283%2920%2819%2910-11-21%2824%2928-23%2826%295-2%2Fh7%2C9%2C14%2C18-21H%2C4-6%2C8%2C10-13H2%2C1-3H3%2Ft18-%2C19%3F%2C20%2B%2C21%2B%2C24%3F%2Fm1%2Fs1, 11.8011331558228, 0.262931883335114, , , , , , , , 4.30782985687256, -0.311939984560013, 15.9979391098022, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC28H46O%2Fc1-19%282%2920%283%299-10-22%285%2926-15-16-27-23%288-7-17-28%2826%2C27%296%2912-13-24-18-25%2829%2914-11-21%2824%294%2Fh9-10%2C12-13%2C19-22%2C25-27%2C29H%2C7-8%2C11%2C14-18H2%2C1-6H3, 12.5949993133545, 0.131841719150543, , , , , , , , 5.16724395751953, -0.392223030328751, 15.9949216842651, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC22H27NO2%2Fc1-4-22%2824%2910-8-18-16-6-5-15-11-19-14%2813-23-25-19%2912-20%2815%2C2%2917%2816%297-9-21%2818%2C22%293%2Fh1%2C11%2C13%2C16-18%2C24H%2C5-10%2C12H2%2C2-3H3%2Ft16%3F%2C17-%2C18-%2C20-%2C21-%2C22-%2Fm0%2Fs1, 12.6961297988892, 0.153617084026337, , , , , , , , 5.39032316207886, -0.376590192317963, 15.9959268569946, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC9H19N%2Fc1-8%282%296-5-7-9%283%2910-4%2Fh6%2C9-10H%2C5%2C7H2%2C1-4H3, 8.1469554901123, 0.0497942827641964, , , , , , , , 5.2847900390625, -0.316526919603348, 14.0030784606934, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC6H14N4O2%2Fc7-4%285%2811%2912%292-1-3-10-6%288%299%2Fh4H%2C1-3%2C7H2%2C%28H%2C11%2C12%29%28H4%2C8%2C9%2C10%29, 7.8410964012146, 0.294907122850418, , , , , , , , 3.98682498931885, -0.349831759929657, 15.9982624053955, , , , 11.9963550567627, , , , , , , 
-InChI%3D1S%2FC4H4FN3O%2Fc5-2-1-7-4%289%298-3%282%296%2Fh1H%2C%28H3%2C6%2C7%2C8%2C9%29, 7.24401712417603, 0.189288333058357, , , , , , , , 4.14340114593506, -0.364890247583389, 18.998405456543, , , , 11.9946517944336, , , , , , , 
-InChI%3D1S%2FC9H18N6%2Fc1-13%282%297-10-8%2814%283%294%2912-9%2811-7%2915%285%296%2Fh1-6H3, 9.01627540588379, 0.215377405285835, , , , , , , , 6.00854969024658, -0.312497943639755, 14.010666847229, , , , 11.9934511184692, , , , , , , 
-InChI%3D1S%2FC21H30O3%2Fc1-13%2822%2924-15-8-10-20%282%2914%2812-15%294-5-16-17-6-7-19%2823%2921%2817%2C3%2911-9-18%2816%2920%2Fh4%2C15-18H%2C5-12H2%2C1-3H3%2Ft15-%2C16%3F%2C17-%2C18-%2C20%3F%2C21%3F%2Fm0%2Fs1, 12.5839948654175, 0.258333891630173, , , , , , , , 4.0418062210083, -0.312501281499863, 15.9969301223755, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC15H10ClN3O3%2Fc16-12-4-2-1-3-10%2812%2915-11-7-9%2819%2821%2922%295-6-13%2811%2918-14%2820%298-17-15%2Fh1-7H%2C8H2%2C%28H%2C18%2C20%29, 11.5392007827759, 0.175740316510201, , , , , , , , 3.76769423484802, -0.346917688846588, 34.9688529968262, , , , 11.9989995956421, , , , , , , 
-InChI%3D1S%2FC32H44F3N3O2S%2Fc1-2-3-4-5-6-7-8-14-31%2839%2940-24-23-37-21-19-36%2820-22-37%2917-11-18-38-27-12-9-10-13-29%2827%2941-30-16-15-26%2825-28%2830%2938%2932%2833%2C34%2935%2Fh9-10%2C12-13%2C15-16%2C25H%2C2-8%2C11%2C14%2C17-24H2%2C1H3, 12.0177278518677, 0.39633247256279, , , , , , , , 3.75944757461548, -0.327705264091492, 31.9720726013184, , , , 11.9942388534546, , , , , , , 
-InChI%3D1S%2FC27H44O2%2Fc1-18%282%298-6-9-19%283%2924-13-14-25-21%2810-7-15-27%2824%2C25%295%2911-12-22-16-23%2828%2917-26%2829%2920%2822%294%2Fh11-12%2C18-19%2C23-26%2C28-29H%2C4%2C6-10%2C13-17H2%2C1-3%2C5H3%2Fb21-11-%2C22-12%2B%2Ft19-%2C23-%2C24-%2C25%2B%2C26%2B%2C27%3F%2Fm1%2Fs1, 12.5256338119507, 0.082288071513176, , , , , , , , 5.24832773208618, -0.392294466495514, 15.9959278106689, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC18H22N2%2Fc1-19-13-6-14-20-17-9-4-2-7-15%2817%2911-12-16-8-3-5-10-18%2816%2920%2Fh2-5%2C7-10%2C19H%2C6%2C11-14H2%2C1H3, 11.510853767395, 0.179094105958939, , , , , , , , 5.08431816101074, -0.319011300802231, 14.0040922164917, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC22H38O5%2Fc1-4-5-14-22%282%2C26%2915-10-12-18-17%2819%2823%2916-20%2818%2924%2911-8-6-7-9-13-21%2825%2927-3%2Fh10%2C12%2C17-18%2C20%2C24%2C26H%2C4-9%2C11%2C13-16H2%2C1-3H3%2Fb12-10%2B%2Ft17-%2C18%3F%2C20-%2C22%3F%2Fm1%2Fs1, 10.5419187545776, 0.26093190908432, , , , , , , , 4.04679203033447, -0.392149895429611, 16.0000076293945, , , , 11.9961414337158, , , , , , , 
-InChI%3D1S%2FC20H25ClN2O5%2Fc1-4-28-20%2825%2918-15%2811-27-10-9-22%2923-12%282%2916%2819%2824%2926-3%2917%2818%2913-7-5-6-8-14%2813%2921%2Fh5-8%2C17%2C23H%2C4%2C9-11%2C22H2%2C1-3H3, 13.399772644043, 0.292127311229706, , , , , , , , 4.70237445831299, -0.373831361532211, 34.9693794250488, , , , 11.9985074996948, , , , , , , 
-InChI%3D1S%2FC28H40Cl2N4O2.2ClH%2Fc1-5-33%286-2%2C21-23-13-9-11-15-25%2823%2929%2919-17-31-27%2835%2928%2836%2932-18-20-34%287-3%2C8-4%2922-24-14-10-12-16-26%2824%2930%3B%3B%2Fh9-16H%2C5-8%2C17-22H2%2C1-4H3%3B2%2A1H, 11.9629716873169, 0.333230882883072, , , , , , , , 2.72900009155273, -0.342546343803406, 34.9720115661621, , , , 11.9985008239746, , , , , , , 
-InChI%3D1S%2FC5H5N3O%2Fc6-5%289%294-3-7-1-2-8-4%2Fh1-3H%2C%28H2%2C6%2C9%29, 7.82798957824707, 0.200910195708275, , , , , , , , 4.72127294540405, -0.346899598836899, 15.9949178695679, , , , 11.9885921478271, , , , , , , 
-InChI%3D1S%2FC16H18N3S.ClH%2Fc1-18%282%2911-5-7-13-15%289-11%2920-16-10-12%2819%283%294%296-8-14%2816%2917-13%3B%2Fh5-10H%2C1-4H3%3B1H%2Fq%2B1%3B%2Fp-1, 12.0457019805908, 0.0800679251551628, , , , , , , , 2.34299683570862, -0.337601512670517, 34.9688529968262, , , , 11.9933309555054, , , , , , , 
-InChI%3D1S%2FC11H12N4O3S%2Fc1-18-9-6-13-11%2814-7-9%2915-19%2816%2C17%2910-4-2-8%2812%293-5-10%2Fh2-7H%2C12H2%2C1H3%2C%28H%2C13%2C14%2C15%29, 11.4333744049072, 0.223407700657845, , , , , , , , 4.69547271728516, -0.370974183082581, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC24H19NO5%2Fc1-15%2826%2929-19-11-7-17%288-12-19%2924%2818-9-13-20%2814-10-18%2930-16%282%2927%2921-5-3-4-6-22%2821%2925-23%2824%2928%2Fh3-14H%2C1-2H3%2C%28H%2C25%2C28%29, 14.1393337249756, 0.260217934846878, , , , , , , , 3.96536540985107, -0.371324747800827, 16.0000114440918, , , , 11.996132850647, , , , , , , 
-InChI%3D1S%2FC17H25N3O2S%2Fc1-18-23%2821%2C22%2910-7-13-3-4-17-15%2811-13%2916%2812-19-17%2914-5-8-20%282%299-6-14%2Fh3-4%2C11-12%2C14%2C18-19H%2C5-10H2%2C1-2H3, 10.4984760284424, 0.211821049451828, , , , , , , , 5.89110088348389, -0.305930316448212, 31.9720726013184, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC34H50O7%2Fc1-29%282%2923-10-13-34%287%2927%2832%2823%2C5%2912-11-24%2829%2941-26%2838%299-8-25%2836%2937%2922%2835%2918-20-21-19-31%284%2C28%2839%2940%2915-14-30%2821%2C3%2916-17-33%2820%2C34%296%2Fh18%2C21%2C23-24%2C27H%2C8-17%2C19H2%2C1-7H3%2C%28H%2C36%2C37%29%28H%2C39%2C40%29%2Ft21-%2C23-%2C24-%2C27%2B%2C30%2B%2C31-%2C32%3F%2C33%2B%2C34%2B%2Fm0%2Fs1, 14.3398466110229, 0.265434861183167, , , , , , , , 3.75224542617798, -0.332453668117523, 16.0009746551514, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC12H22O11%2Fc13-1-3-5%2815%296%2816%299%2819%2912%2822-3%2923-10-4%282-14%2921-11%2820%298%2818%297%2810%2917%2Fh3-20H%2C1-2H2%2Ft3-%2C4%3F%2C5-%2C6%2B%2C7-%2C8-%2C9-%2C10-%2C11-%2C12%3F%2Fm1%2Fs1, 9.40248203277588, 0.188193827867508, , , , , , , , 4.35807514190674, -0.407123416662216, 16.0053730010986, , , , 11.9962186813354, , , , , , , 
-InChI%3D1S%2FC9H18N2O2%2Fc1-4-6%283%297%285-2%298%2812%2911-9%2810%2913%2Fh6-7H%2C4-5H2%2C1-3H3%2C%28H3%2C10%2C11%2C12%2C13%29, 9.90950489044189, 0.259325742721558, , , , , , , , 4.57271671295166, -0.371035099029541, 15.9982614517212, , , , 11.9962682723999, , , , , , , 
-InChI%3D1S%2FC15H21NO2%2Fc1-3-18-14%2817%2915%289-11-16%282%2912-10-15%2913-7-5-4-6-8-13%2Fh4-8H%2C3%2C9-12H2%2C1-2H3, 11.9505672454834, 0.268436878919601, , , , , , , , 5.06738090515137, -0.315597712993622, 15.9959230422974, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC17H15NO5%2Fc1-11%2819%2918-13-7-9-14%2810-8-13%2923-17%2821%2915-5-3-4-6-16%2815%2922-12%282%2920%2Fh3-10H%2C1-2H3%2C%28H%2C18%2C19%29, 9.46480178833008, 0.273024946451187, , , , , , , , 4.0366849899292, -0.372469872236252, 16.0000038146973, , , , 11.9961700439453, , , , , , , 
-InChI%3D1S%2FC7H8N2O.ClH%2Fc1-9-5-3-2-4-7%289%296-8-10%3B%2Fh2-6H%2C1H3%3B1H, 8.78250885009766, 0.0853626951575279, , , , , , , , 2.72999620437622, -0.31869637966156, 34.9688529968262, , , , 11.9935121536255, , , , , , , 
-InChI%3D1S%2FC20H23N%2Fc1-21%282%2915-7-12-20-18-10-5-3-8-16%2818%2913-14-17-9-4-6-11-19%2817%2920%2Fh3-6%2C8-12H%2C7%2C13-15H2%2C1-2H3, 11.9939470291138, 0.152227774262428, , , , , , , , 5.74438667297363, -0.308646976947784, 14.0030841827393, , , , 11.8500003814697, , , , , , , 
-InChI%3D1S%2FC19H23NO5%2Fc1-23-17-7-11%288-18%2824-2%2919%2817%2925-3%296-14-13-10-16%2822%2915%2821%299-12%2813%294-5-20-14%2Fh7-10%2C14%2C20-22H%2C4-6H2%2C1-3H3%2Ft14-%2Fm0%2Fs1, 10.7517728805542, 0.16701528429985, , , , , , , , 5.02669525146484, -0.396118849515915, 16.0000057220459, , , , 11.9961566925049, , , , , , , 
-InChI%3D1S%2FC42H69NO15%2Fc1-11-16-32%2848%2955-40-27%286%2953-34%2823-42%2840%2C7%2958-31%2847%2912-2%2956-37-26%285%2954-41%2836%2850%2935%2837%2943%288%299%2957-38-28%2819-20-44%2921-24%283%2929%2845%2918-15-13-14-17-25%284%2952-33%2849%2922-30%2846%2939%2838%2951-10%2Fh13-15%2C18%2C20%2C24-30%2C34-41%2C45-46%2C50H%2C11-12%2C16-17%2C19%2C21-23H2%2C1-10H3%2Fb14-13-%2C18-15-%2Ft24-%2C25-%2C26-%2C27%2B%2C28%2B%2C29%2B%2C30-%2C34%2B%2C35-%2C36-%2C37%3F%2C38%3F%2C39%2B%2C40%2B%2C41%2B%2C42-%2Fm1%2Fs1, 11.6868925094604, 0.265600800514221, , , , , , , , 4.01571846008301, -0.390164256095886, 16.0090808868408, , , , 11.8900003433228, , , , , , , 
-InChI%3D1S%2FC21H36O5%2Fc1-3-4-9-13-21%282%2C26%2914-12-17-16%2818%2822%2915-19%2817%2923%2910-7-5-6-8-11-20%2824%2925%2Fh5%2C7%2C12%2C14%2C16-19%2C22-23%2C26H%2C3-4%2C6%2C8-11%2C13%2C15H2%2C1-2H3%2C%28H%2C24%2C25%29%2Fb7-5%2B%2C14-12%2B%2Ft16-%2C17%3F%2C18%2B%2C19%3F%2C21%2B%2Fm1%2Fs1, 10.7267761230469, 0.278799474239349, , , , , , , , 3.74346661567688, -0.392930090427399, 16.0000057220459, , , , 11.9961462020874, , , , , , , 
-InChI%3D1S%2FC21H27ClO3%2Fc1-12%2823%2921%2825%299-6-16-14-11-18%2822%2917-10-13%2824%294-7-19%2817%2C2%2915%2814%295-8-20%2816%2C21%293%2Fh10-11%2C14-16%2C25H%2C4-9H2%2C1-3H3%2Ft14%3F%2C15-%2C16-%2C19%2B%2C20-%2C21-%2Fm0%2Fs1, 13.0854749679565, 0.202442362904549, , , , , , , , 4.95805644989014, -0.381349295377731, 34.9688529968262, , , , 11.8999996185303, , , , , , , 
-InChI%3D1S%2FC16H17N3O7S2%2Fc1-25-16%2818-10%2820%295-9-3-2-4-27-9%2913%2823%2919-11%2812%2821%2922%298%286-26-15%2817%2924%297-28-14%2816%2919%2Fh2-4%2C14H%2C5-7H2%2C1H3%2C%28H2%2C17%2C24%29%28H%2C18%2C20%29%28H%2C21%2C22%29%2Ft14-%2C16%3F%2Fm1%2Fs1, 12.3763694763184, 0.320792376995087, , , , , , , , 4.38742017745972, -0.349027901887894, 31.9730739593506, , , , 11.9961776733398, , , , , , , 
-InChI%3D1S%2FC14H19N3S%2Fc1-16%282%299-10-17%2812-13-6-5-11-18-13%2914-7-3-4-8-15-14%2Fh3-8%2C11H%2C9-10%2C12H2%2C1-2H3, 11.0121641159058, 0.182932019233704, , , , , , , , 5.79819917678833, -0.307728111743927, 31.9720726013184, , , , 11.9883604049683, , , , , , , 
-InChI%3D1S%2FC49H76O20%2Fc1-21-43%2867-37-16-31%2853%2944%2822%282%2962-37%2968-38-17-33%2864-24%284%2951%2945%2823%283%2963-38%2969-46-42%2858%2941%2857%2940%2856%2934%2819-50%2966-46%2930%2852%2915-36%2861-21%2965-27-9-11-47%285%2926%2814-27%297-8-29-28%2847%2910-12-48%286%2939%2825-13-35%2855%2960-20-25%2932%2854%2918-49%2829%2C48%2959%2Fh13%2C21-23%2C26-34%2C36-46%2C50%2C52-54%2C56-59H%2C7-12%2C14-20H2%2C1-6H3%2Ft21-%2C22-%2C23-%2C26%3F%2C27%3F%2C28%3F%2C29-%2C30%2B%2C31%2B%2C32%3F%2C33%2B%2C34%3F%2C36%2B%2C37%2B%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42-%2C43%3F%2C44%3F%2C45%3F%2C46%2B%2C47%2B%2C48-%2C49%3F%2Fm1%2Fs1, 12.9547958374023, 0.28666165471077, , , , , , , , 4.11607265472412, -0.410424947738647, 16.0143985748291, , , , 11.9960823059082, , , , , , , 
-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, 9.98530292510986, 0.128738805651665, , , , , , , , 5.46634721755981, -0.408971220254898, 34.9698524475098, , , , 11.9962062835693, , , , , , , 
\ No newline at end of file
diff --git a/5x_cv/MDD_topological.csv b/5x_cv/MDD_topological.csv
deleted file mode 100644
index 668f37e..0000000
--- a/5x_cv/MDD_topological.csv
+++ /dev/null
@@ -1,1216 +0,0 @@
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-InChI%3D1S%2FC14H19N3S%2Fc1-16%282%299-10-17%2812-13-6-5-11-18-13%2914-7-3-4-8-15-14%2Fh3-8%2C11H%2C9-10%2C12H2%2C1-2H3, -0.192083209753036, 0.0, 1.6163843870163 1.6163843870163, 0.0282729715108871, 0.0, 2.26718401908875 2.26718401908875, 0.108549885451794, 0.0, 1.02191007137299 1.02191007137299, 0.0, 2.79239320755005 2.79239320755005, , -0.159383028745651, 0.0, 1.19538700580597 1.19538700580597, 0.0, 1.25268280506134 1.25268280506134, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 0.0, 14.4099721908569, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.55555534362793, 0.63245552778244, 0.0, 0.0, 12.7946825027466, 4.89795923233032, 0.0, 0.0, 0.0, 0.117851130664349, 3.0, 0.0, 0.0, 8.75401973724365, 0.0, 0.0, 0.0, 0.108178533613682, 7.51555156707764, 1.0, 0.04837891086936, 0.945705771446228, 5.54213190078735, 2.0, 0.0, 0.0, 12.4890584945679, 242.0, 0.0, 0.0, 0.0, 4.37320184707642, 7.41553068161011, 0.0833333358168602, 3.15977072715759, 0.0, 0.0, 0.0, 0.0, 2.00300645828247, 1.48198068141937, 1.0, 1138.0400390625, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 25.2077178955078, 0.0, 0.0, 0.0, 0.0, 23.6690521240234, 0.333333343267441, 637.0, 0.144337564706802, 1284.35766601562, 0.0, 30.366455078125, 0.0, 0.0, 0.0, 0.20412415266037, 1432.28479003906, 23.4705638885498, 0.0, 0.117851130664349, 1814.53527832031, 0.0, 24.8352375030518, 0.0, 6.0, 1572.98400878906, 0.0, 0.0, 1544.27368164062, 0.0, 86.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.7291574478149, 0.0, , 0.0, 0.0, 0.0, 6.96557235717773, 7.0, 0.0, 0.735766172409058, 0.0, 5.5243763923645, 0.0, 0.0, 0.0, 0.5, 0.0, 3.57835388183594, 0.0, 0.0, 0.0288675129413605, 5.16992521286011, 2.44621133804321, 0.0, 0.5, 0.0, 0.0, 1.49072480201721, 0.0, 3.55669260025024, 0.0, 0.856203496456146, 0.0, 0.274166971445084, 0.730296730995178, 6.0, 0.592931568622589, 0.0, 0.0, 0.0
-InChI%3D1S%2FC49H76O20%2Fc1-21-43%2867-37-16-31%2853%2944%2822%282%2962-37%2968-38-17-33%2864-24%284%2951%2945%2823%283%2963-38%2969-46-42%2858%2941%2857%2940%2856%2934%2819-50%2966-46%2930%2852%2915-36%2861-21%2965-27-9-11-47%285%2926%2814-27%297-8-29-28%2847%2910-12-48%286%2939%2825-13-35%2855%2960-20-25%2932%2854%2918-49%2829%2C48%2959%2Fh13%2C21-23%2C26-34%2C36-46%2C50%2C52-54%2C56-59H%2C7-12%2C14-20H2%2C1-6H3%2Ft21-%2C22-%2C23-%2C26%3F%2C27%3F%2C28%3F%2C29-%2C30%2B%2C31%2B%2C32%3F%2C33%2B%2C34%3F%2C36%2B%2C37%2B%2C38%2B%2C39%2B%2C40-%2C41%2B%2C42-%2C43%3F%2C44%3F%2C45%3F%2C46%2B%2C47%2B%2C48-%2C49%3F%2Fm1%2Fs1, -1.17708039283752, 2.08897948265076, 17.09446144104 17.09446144104, -0.188998341560364, 0.0, 29.3245849609375 29.3245849609375, 0.05520099401474, 1.31037068367004, 9.92940139770508 9.92940139770508, 0.0, 43.4415054321289 43.4415054321289, , -0.410473078489304, 0.0, 16.2113647460938 16.2113647460938, 0.0, 22.3493843078613 22.3493843078613, 23.0, 0.0, 0.0, 0.0, 0.0, 2.0, 2.0, 0.0, 139.0, 0.0, 53.8127861022949, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.198055267334, 0.0, 0.0, 0.0, 49.4816703796387, 10.2494115829468, 0.0, 0.0, 0.0, 0.100592233240604, 13.0, 0.0, 0.0, 32.6309432983398, 0.0, 0.0, 0.0, 0.528965890407562, 32.3567581176758, 0.0, 1.25026965141296, 7.00353050231934, 28.1604976654053, 6.0, 0.0, 0.0, 12.3543357849121, 3901.0, 0.0, 0.321975260972977, 0.0, 24.4601860046387, 0.0, 2.61588072776794, 19.4195156097412, 0.0, 8.95497226715088, 0.528247475624084, 10.0, 14.899977684021, 11.2615356445312, 0.0, 18717.19921875, 0.0, 0.0, 0.0, 3.2833776473999, 0.941176474094391, 9.44528865814209, 0.0, 1.0, 0.0, 0.0, 0.0, 84.4893798828125, 5.0, 0.0, 8.0, 0.0, 86.962760925293, 0.0, 28852.0, 0.176776692271233, 5170.9140625, 0.0, 140.255142211914, 0.0, 0.0, 0.0, 0.833109617233276, 6397.8955078125, 164.566131591797, 0.0, 2.12692999839783, 9928.783203125, 0.0, 161.455856323242, 1.0, 26.0, 11091.9296875, 0.0, 0.0, 10297.5, 3.0, 394.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.2974271774292, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 40.5254821777344, 0.0, , 0.0, 5.75384187698364, 0.0, 25.3336048126221, 0.0, 0.0, 4.15805053710938, 0.0, 22.2833862304688, 0.0, 0.265556752681732, 0.0, 0.484848499298096, 0.0, 18.2202301025391, 0.0, 0.0, 1.4492644071579, 7.10852432250977, 14.6984968185425, 0.332689672708511, 1.23691380023956, 0.0, 0.0, 11.0205135345459, 0.0, 8.5998010635376, 2.0, 7.80068063735962, 0.0, 2.60148882865906, 17.1447849273682, 12.0, 5.62318801879883, 0.0, 1.0, 0.0
-InChI%3D1S%2FC13H10Cl2O2%2Fc14-10-1-3-12%2816%298%286-10%295-9-7-11%2815%292-4-13%289%2917%2Fh1-4%2C6-7%2C16-17H%2C5H2, -0.0681570693850517, 0.0, 2.69551730155945 2.69551730155945, -0.00966802425682545, , 3.45888185501099 3.45888185501099, 0.00286167883314192, 0.0, 1.06082081794739 1.06082081794739, 0.0, 5.30639123916626 5.30639123916626, , -0.0741478651762009, , 1.2750768661499 1.2750768661499, 0.0, 1.54211413860321 1.54211413860321, 0.0, 0.0, 0.0, , , 0.0, 0.0, , 24.0, 0.0, 13.4320983886719, 0.0, , , , 0.0, , 5.76000022888184, 0.0, 0.0, 0.0, 12.4138488769531, 3.48444437980652, 0.0, 0.0, 0.0, 0.0, 1.0, , , 8.05855083465576, , , 0.0, 0.0481125228106976, 7.54687786102295, 0.0, 0.110091738402843, 1.3820880651474, 5.85482692718506, 0.0, , , 6.12024211883545, 230.0, , 0.0, , 4.34612703323364, 16.2881202697754, 0.235702261328697, 3.84638571739197, , 0.0, 0.0, 0.0, 2.10235977172852, 1.15802001953125, , 512.039978027344, , 0.0, , 0.16666667163372, 1.0, 0.0, , 0.0, 6.0, , 0.0, 33.9744453430176, 2.0, , 2.0, 0.0, 22.5676593780518, 0.0, 520.0, 0.0, 1132.21166992188, 0.0, 34.1353187561035, , 0.0, , 0.136082768440247, 1292.93566894531, 33.7994995117188, 0.0, 0.368390560150146, 1726.32922363281, , 27.1353168487549, 0.0, 11.0, 1621.61083984375, 0.0, , 1218.66540527344, 0.0, 86.0, 5.28649950027466, 0.0, , , , 0.0, , 40.4599990844727, 0.0, 0.0, 0.0, , 0.0, , 0.0, , 0.0, 10.3334226608276, , , 0.0, 0.0, 0.0, 5.76428174972534, 6.0, , 0.711188077926636, 0.0, 4.59571695327759, 0.0, 0.0, , 0.5, , 2.93417930603027, , 0.0, 0.0527046285569668, 5.08746290206909, 1.98592627048492, 0.0, 0.0, 0.0, , 1.38129711151123, , 0.0, 0.0, 0.715536236763, 0.0, 0.231458872556686, 0.0, 0.0, 0.338123261928558, , 0.0, 0.0
\ No newline at end of file
diff --git a/5x_cv/MOU_constitutional.csv b/5x_cv/MOU_constitutional.csv
deleted file mode 100644
index 076a718..0000000
--- a/5x_cv/MOU_constitutional.csv
+++ /dev/null
@@ -1,428 +0,0 @@
-SMILES,naAromAtom,nAtom,nAtomLC,nRotB,nB,nAromBond,LipinskiFailures,ALogP,MLogP,XLogP,AMR,ALogp2,nAtomLAC,nHBDon,nAtomP,LipinksiFailures
-InChI%3D1S%2FC7H7Cl%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6H2, 6.0, 15.0, 2.0, 1.0, 8.0, 6.0, 0.0, 0.755900025367737, 2.11999988555908, 3.88299989700317, 10.3277997970581, 0.571384787559509, 0.0, 0.0, 6.0, 
-InChI%3D1S%2FC8H5N3O4S%2Fc12-4-9-8-10-5%283-16-8%296-1-2-7%2815-6%2911%2813%2914%2Fh1-4H%2C%28H%2C9%2C10%2C12%29, 10.0, 21.0, 3.0, 3.0, 17.0, 10.0, 0.0, 0.239399999380112, 1.46000003814697, 1.51699995994568, 22.1271991729736, 0.0573123581707478, 0.0, 1.0, 16.0, 
-InChI%3D1S%2FC17H21N3.ClH%2Fc1-19%282%2915-9-5-13%286-10-15%2917%2818%2914-7-11-16%2812-8-14%2920%283%294%3B%2Fh5-12%2C18H%2C1-4H3%3B1H, 12.0, 43.0, 3.0, 4.0, 21.0, 12.0, 0.0, 0.330000013113022, 2.89000010490417, 4.52699995040894, 35.1859016418457, 0.108900003135204, 0.0, 1.0, 16.0, 
-InChI%3D1S%2FC6H13NO3S.Na%2Fc8-11%289%2C10%297-6-4-2-1-3-5-6%3B%2Fh6-7H%2C1-5H2%2C%28H%2C8%2C9%2C10%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 24.0, 5.0, 2.0, 11.0, 0.0, 0.0, , 1.46000003814697, 0.319000005722046, , , 0.0, 1.0, 5.0, 
-InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3, 0.0, 12.0, 5.0, 0.0, 4.0, 0.0, 0.0, 1.8507000207901, 1.78999996185303, 1.71300005912781, 24.7329006195068, 3.42509055137634, 3.0, 0.0, 2.0, 
-InChI%3D1S%2FC3H6ClNO%2Fc1-5%282%293%284%296%2Fh1-2H3, 0.0, 12.0, 6.0, 1.0, 5.0, 0.0, 0.0, 0.573800027370453, 1.46000003814697, 0.247999995946884, 24.9722995758057, 0.329246431589127, 0.0, 0.0, 3.0, 
-InChI%3D1S%2FC8H6N4O5%2Fc13-6-4-11%288%2814%2910-6%299-3-5-1-2-7%2817-5%2912%2815%2916%2Fh1-3H%2C4H2%2C%28H%2C10%2C13%2C14%29%2Fb9-3%2B, 5.0, 23.0, 2.0, 3.0, 18.0, 5.0, 0.0, -1.28090000152588, 1.35000002384186, 0.880999982357025, 32.3368988037109, 1.64070475101471, 0.0, 1.0, 16.0, 
-InChI%3D1S%2FC6H12Cl2O%2Fc1-5%283-7%299-6%282%294-8%2Fh5-6H%2C3-4H2%2C1-2H3, 0.0, 21.0, 9.0, 4.0, 8.0, 0.0, 0.0, 1.35950005054474, 1.78999996185303, 2.47000002861023, 40.8679008483887, 1.84824025630951, 3.0, 0.0, 0.0, 
-InChI%3D1S%2FC23H41Cl7%2Fc1-3-4-18%2825%297-8-20%2827%2911-12-22%2829%2915-16-23%2830%2914-13-21%2828%2910-9-19%2826%296-5-17%282%2924%2Fh17-23H%2C3-16H2%2C1-2H3, 0.0, 71.0, 30.0, 20.0, 29.0, 0.0, 2.0, 0.927900016307831, 3.22000002861023, 10.7519998550415, 115.654296875, 0.860998392105103, 23.0, 0.0, 0.0, 
-InChI%3D1S%2FC18H23NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C14-15%2C20%2C23H%2C2%2C5-10H2%2C1H3%2Ft14-%2C15%3F%2C18-%2Fm1%2Fs1, 0.0, 48.0, 2.0, 1.0, 27.0, 0.0, 0.0, 0.235100001096725, 2.67000007629395, 0.137999996542931, 88.9273986816406, 0.0552720092236996, 2.0, 2.0, 5.0, 
-InChI%3D1S%2FC10H12N2O4%2Fc1-3-16-10-5-4-8%2811-7%282%2913%296-9%2810%2912%2814%2915%2Fh4-6H%2C3H2%2C1-2H3%2C%28H%2C11%2C13%29, 6.0, 28.0, 4.0, 4.0, 16.0, 6.0, 0.0, 0.0803000032901764, 1.89999997615814, 2.49499988555908, 28.3962001800537, 0.00644809007644653, 2.0, 1.0, 13.0, 
-InChI%3D1S%2FC4H12N2.ClH%2Fc1-2-3-4-6-5%3B%2Fh6H%2C2-5H2%2C1H3%3B1H, 0.0, 20.0, 6.0, 3.0, 5.0, 0.0, 0.0, -1.52900004386902, 1.57000005245209, 1.07200002670288, 25.0181999206543, 2.33784103393555, 4.0, 2.0, 2.0, 
-InChI%3D1S%2FC4H8N2O%2Fc7-5-6-3-1-2-4-6%2Fh1-4H2, 0.0, 15.0, 2.0, 1.0, 7.0, 0.0, 0.0, -0.666599988937378, 1.57000005245209, 0.46000000834465, 23.9046993255615, 0.444355547428131, 0.0, 0.0, 3.0, 
-InChI%3D1S%2FC11H10N4%2Fc1-7-3-2-6-15-10%287%2913-8-4-5-9%2812%2914-11%288%2915%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29, 0.0, 31.0, 0.0, 0.0, 17.0, 5.0, 0.0, -0.0604000017046928, 2.23000001907349, 1.86600005626678, 41.2084999084473, 0.00364816002547741, 0.0, 3.0, 3.0, 
-InChI%3D1S%2FC7H16O2%2Fc1-6%288%295-9-7%282%2C3%294%2Fh6%2C8H%2C5H2%2C1-4H3, 0.0, 25.0, 9.0, 3.0, 8.0, 0.0, 0.0, 0.431699991226196, 2.00999999046326, 1.07099997997284, 37.693000793457, 0.186364889144897, 3.0, 1.0, 0.0, 
-InChI%3D1S%2FC3H8N2O%2Fc1-2-5%284%293-6%2Fh3H%2C2%2C4H2%2C1H3, 0.0, 14.0, 6.0, 2.0, 5.0, 0.0, 0.0, -0.94650000333786, 1.46000003814697, -1.20700001716614, 24.0685005187988, 0.895862221717834, 2.0, 1.0, 4.0, 
-InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2, 0.0, 27.0, 7.0, 3.0, 19.0, 0.0, 0.0, 2.72370004653931, 1.67999994754791, 2.76999998092651, 77.7978973388672, 7.41854190826416, 2.0, 0.0, 5.0, 
-InChI%3D1S%2FC10H9N%2Fc11-10-6-5-8-3-1-2-4-9%288%297-10%2Fh1-7H%2C11H2, 10.0, 20.0, 0.0, 0.0, 12.0, 11.0, 0.0, -0.749899983406067, 2.45000004768372, 3.8529999256134, 4.22209978103638, 0.562350034713745, 0.0, 1.0, 11.0, 
-InChI%3D1S%2FC8H9N3O2%2Fc1-6%2812%2910-11-8%2813%297-2-4-9-5-3-7%2Fh2-5H%2C1H3%2C%28H%2C10%2C12%29%28H%2C11%2C13%29, 6.0, 22.0, 7.0, 3.0, 13.0, 6.0, 0.0, -0.706499993801117, 1.78999996185303, 1.19599997997284, 21.3423004150391, 0.49914225935936, 2.0, 2.0, 12.0, 
-InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H, 6.0, 15.0, 0.0, 0.0, 10.0, 10.0, 0.0, -0.154100000858307, 2.23000001907349, 2.64599990844727, 1.61909997463226, 0.0237468108534813, 0.0, 0.0, 7.0, 
-InChI%3D1S%2FC18H12O6%2Fc1-21-11-7-12-13%288-5-6-22-18%288%2924-12%2917-15%2811%2916%2820%2914-9%2819%293-2-4-10%2814%2923-17%2Fh2-8%2C18-19H%2C1H3, 12.0, 36.0, 2.0, 1.0, 28.0, 12.0, 0.0, -1.46529996395111, 2.77999997138977, 1.72200000286102, 35.6242980957031, 2.14710402488708, 0.0, 1.0, 18.0, 
-InChI%3D1S%2FC4H8N2O%2Fc1-3-5-6%282%294-7%2Fh3-4H%2C1-2H3, 0.0, 15.0, 7.0, 2.0, 6.0, 0.0, 0.0, -0.625699996948242, 1.57000005245209, 0.550999999046326, 27.4659996032715, 0.391500502824783, 2.0, 0.0, 5.0, 
-InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3, 0.0, 26.0, 12.0, 6.0, 11.0, 0.0, 0.0, 3.16650009155273, 1.89999997615814, 2.74499988555908, 62.7835998535156, 10.0267219543457, 3.0, 0.0, 3.0, 
-InChI%3D1S%2FC6H12N2.2ClH%2Fc1-3-5-7-8-6-4-2%3B%3B%2Fh3-4%2C7-8H%2C1-2%2C5-6H2%3B2%2A1H, 0.0, 24.0, 8.0, 5.0, 7.0, 0.0, 0.0, 0.597400009632111, 1.67999994754791, 2.83800005912781, 36.3188018798828, 0.356886774301529, 3.0, 2.0, 2.0, 
-InChI%3D1S%2FC7H10N2.2ClH%2Fc1-5-2-3-6%288%294-7%285%299%3B%3B%2Fh2-4H%2C8-9H2%2C1H3%3B2%2A1H, 6.0, 23.0, 0.0, 0.0, 9.0, 6.0, 0.0, -0.857800006866455, 1.78999996185303, 1.87199997901917, 13.9462995529175, 0.735820829868317, 0.0, 2.0, 8.0, 
-InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H, 0.0, 8.0, 6.0, 1.0, 5.0, 0.0, 0.0, 2.39919996261597, 1.24000000953674, 2.57599997520447, 30.7637996673584, 5.75616073608398, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC13H14N2.2ClH%2Fc14-12-5-1-10%282-6-12%299-11-3-7-13%2815%298-4-11%3B%3B%2Fh1-8H%2C9%2C14-15H2%3B2%2A1H, 12.0, 33.0, 0.0, 2.0, 16.0, 12.0, 0.0, -1.04359996318817, 2.45000004768372, 4.71500015258789, 13.0452003479004, 1.08910095691681, 0.0, 2.0, 7.0, 
-InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-2-1-3-8-4-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29, 6.0, 17.0, 4.0, 1.0, 10.0, 6.0, 0.0, -0.677100002765656, 1.67999994754791, 0.319999992847443, 13.7604999542236, 0.458464413881302, 0.0, 2.0, 10.0, 
-InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2, 0.0, 9.0, 5.0, 2.0, 4.0, 0.0, 0.0, 0.924300014972687, 1.35000002384186, 0.833999991416931, 22.2912998199463, 0.854330480098724, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H, 12.0, 25.0, 2.0, 3.0, 16.0, 12.0, 0.0, -0.443699985742569, 2.45000004768372, 4.23400020599365, 4.74289989471436, 0.196869686245918, 0.0, 1.0, 15.0, 
-InChI%3D1S%2FC13H19NO4S%2Fc1-3-9-14%2810-4-2%2919%2817%2C18%2912-7-5-11%286-8-12%2913%2815%2916%2Fh5-8H%2C3-4%2C9-10H2%2C1-2H3%2C%28H%2C15%2C16%29, 6.0, 38.0, 10.0, 7.0, 19.0, 6.0, 0.0, -1.62650001049042, 2.23000001907349, 2.30800008773804, 45.4058990478516, 2.64550232887268, 3.0, 1.0, 13.0, 
-InChI%3D1S%2FC4H7NO2%2Fc1-2-4%287%295-3-6%2Fh2%2C6H%2C1%2C3H2%2C%28H%2C5%2C7%29, 0.0, 14.0, 7.0, 2.0, 6.0, 0.0, 0.0, -1.04579997062683, 1.57000005245209, -0.151999995112419, 25.4099998474121, 1.09369766712189, 3.0, 2.0, 5.0, 
-InChI%3D1S%2FC2H6N2O%2Fc1-2%285%294-3%2Fh3H2%2C1H3%2C%28H%2C4%2C5%29, 0.0, 11.0, 5.0, 0.0, 4.0, 0.0, 0.0, -0.667200028896332, 1.35000002384186, -0.397000014781952, 19.1849002838135, 0.445155829191208, 2.0, 2.0, 4.0, 
-InChI%3D1S%2FC6H13NO%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H2%2C7%2C8%29, 0.0, 21.0, 8.0, 4.0, 7.0, 0.0, 0.0, -0.859499990940094, 1.89999997615814, 2.28600001335144, 27.6590995788574, 0.738740265369415, 6.0, 2.0, 3.0, 
-InChI%3D1S%2FC12H10Cl2N2.2ClH%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%3B%3B%2Fh1-6H%2C15-16H2%3B2%2A1H, 12.0, 30.0, 0.0, 1.0, 17.0, 12.0, 0.0, -0.0111999996006489, 2.11999988555908, 3.91599988937378, 19.6753997802734, 0.000125439997646026, 0.0, 2.0, 14.0, 
-InChI%3D1S%2FC7H5N3O3S%2Fc8-7-9-4%283-14-7%295-1-2-6%2813-5%2910%2811%2912%2Fh1-3H%2C%28H2%2C8%2C9%29, 5.0, 21.0, 2.0, 2.0, 15.0, 5.0, 0.0, 0.392899990081787, 1.46000003814697, 1.60199999809265, 29.1082000732422, 0.154370412230492, 0.0, 2.0, 8.0, 
-InChI%3D1S%2FC2H5N%2Fc1-2-3-1%2Fh3H%2C1-2H2, 0.0, 8.0, 0.0, 0.0, 3.0, 0.0, 0.0, -0.397199988365173, 1.57000005245209, -0.386000007390976, 12.7243995666504, 0.157767847180367, 0.0, 1.0, 0.0, 
-InChI%3D1S%2FC6H12N2O3%2Fc1-8%282%297-5%289%293-4-6%2810%2911%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C9%29%28H%2C10%2C11%29, 0.0, 23.0, 11.0, 4.0, 10.0, 0.0, 0.0, -0.034000001847744, 1.57000005245209, -0.247999995946884, 39.0854988098145, 0.00115599995478988, 4.0, 2.0, 4.0, 
-InChI%3D1S%2FC8H13NO2.ClH%2Fc1-9-5-3-4-7%286-9%298%2810%2911-2%3B%2Fh4H%2C3%2C5-6H2%2C1-2H3%3B1H, 0.0, 26.0, 4.0, 2.0, 11.0, 0.0, 0.0, 0.134100005030632, 1.89999997615814, 0.684000015258789, 42.0176010131836, 0.0179828107357025, 0.0, 0.0, 5.0, 
-InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3, 0.0, 21.0, 3.0, 3.0, 12.0, 5.0, 0.0, -0.419200003147125, 1.46000003814697, 0.017000000923872, 23.6714992523193, 0.175728633999825, 2.0, 2.0, 2.0, 
-InChI%3D1S%2FMo.3H2O%2Fh%3B3%2A1H2, 0.0, 10.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.01999998092651, -1.40100002288818, , , 0.0, 3.0, 0.0, 
-InChI%3D1S%2FC14H9NO2%2Fc15-8-5-6-11-12%287-8%2914%2817%2910-4-2-1-3-9%2810%2913%2811%2916%2Fh1-7H%2C15H2, 12.0, 26.0, 0.0, 0.0, 19.0, 12.0, 0.0, -1.2775000333786, 2.67000007629395, 2.62199997901917, 14.9140996932983, 1.63200628757477, 0.0, 1.0, 17.0, 
-InChI%3D1S%2FC11H7N3O3%2Fc15-14%2816%2911-5-4-9%2817-11%298-7-12-10-3-1-2-6-13%288%2910%2Fh1-7H, 14.0, 24.0, 3.0, 2.0, 19.0, 15.0, 0.0, -0.1875, 2.00999999046326, 2.58500003814697, 7.40290021896362, 0.03515625, 0.0, 0.0, 17.0, 
-InChI%3D1S%2FC6H4O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H, 0.0, 12.0, 0.0, 0.0, 8.0, 0.0, 0.0, -0.0187999997287989, 1.89999997615814, -0.228000000119209, 31.0287990570068, 0.000353440002072603, 0.0, 0.0, 8.0, 
-InChI%3D1S%2FC6H7N3O2%2Fc7-4-1-2-5%288%296%283-4%299%2810%2911%2Fh1-3H%2C7-8H2, 6.0, 18.0, 2.0, 1.0, 11.0, 6.0, 0.0, -1.54639995098114, 1.57000005245209, 1.48099994659424, 11.3299999237061, 2.391352891922, 0.0, 2.0, 11.0, 
-InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3, 0.0, 11.0, 5.0, 1.0, 4.0, 0.0, 0.0, 1.50109994411469, 1.57000005245209, 2.03699994087219, 25.2399997711182, 2.25330114364624, 3.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H, 6.0, 12.0, 0.0, 0.0, 6.0, 6.0, 0.0, 0.0, 2.11999988555908, 4.06199979782104, 0.0, 0.0, 0.0, 0.0, 6.0, 
-InChI%3D1S%2FC11H11N5%2Fc1-6-5-13-7-3-4-8-10%289%287%2914-6%2915-11%2812%2916%288%292%2Fh3-5H%2C1-2H3%2C%28H2%2C12%2C15%29, 10.0, 27.0, 0.0, 0.0, 18.0, 11.0, 0.0, 0.0723000019788742, 2.11999988555908, 2.33800005912781, 22.6289005279541, 0.00522729009389877, 0.0, 2.0, 14.0, 
-InChI%3D1S%2FC10H14N5O4%2Fc1-5-3-15%2810%2818%2912-9%285%2917%298-2-6%2813-14-11%297%284-16%2919-8%2Fh3%2C6-8%2C11%2C16H%2C2%2C4H2%2C1H3%2C%28H%2C12%2C17%2C18%29%2Ft6-%2C7%3F%2C8%2B%2Fm0%2Fs1, 0.0, 36.0, 3.0, 3.0, 20.0, 0.0, 0.0, -4.2487998008728, 1.57000005245209, -0.907000005245209, 55.6195983886719, 18.0523014068604, 0.0, 4.0, 4.0, 
-InChI%3D1S%2FC12H7Cl2NO3%2Fc13-8-1-6-12%2811%2814%297-8%2918-10-4-2-9%283-5-10%2915%2816%2917%2Fh1-7H, 12.0, 25.0, 2.0, 3.0, 19.0, 12.0, 0.0, 1.2878999710083, 2.11999988555908, 4.76300001144409, 15.7361001968384, 1.65868639945984, 0.0, 0.0, 16.0, 
-InChI%3D1S%2FC2HCl5%2Fc3-1%284%292%285%2C6%297%2Fh1H, 0.0, 8.0, 7.0, 1.0, 6.0, 0.0, 0.0, 2.88779997825623, 1.12999999523163, 3.22900009155273, 36.3208999633789, 8.33938884735107, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC9H4Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-4H, 6.0, 20.0, 5.0, 2.0, 17.0, 6.0, 0.0, 2.93129992485046, 1.67999994754791, 3.80200004577637, 40.8891983032227, 8.59251976013184, 0.0, 0.0, 11.0, 
-InChI%3D1S%2FC2H2Cl4%2Fc3-1-2%284%2C5%296%2Fh1H2, 0.0, 8.0, 6.0, 1.0, 5.0, 0.0, 0.0, 2.44409990310669, 1.24000000953674, 2.81100010871887, 31.2667999267578, 5.97362470626831, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC42H50Cl4N2O4%2Fc1-42-17-16-36-35-13-11-34%2851-40%2849%2926-29-2-7-32%288-3-29%2947%2822-18-43%2923-19-44%2928-31%2835%296-12-37%2836%2938%2842%2914-15-39%2842%2952-41%2850%2927-30-4-9-33%2810-5-30%2948%2824-20-45%2925-21-46%2Fh2-5%2C7-11%2C13%2C28%2C36-39H%2C6%2C12%2C14-27H2%2C1H3%2Ft36-%2C37%3F%2C38%2B%2C39%2B%2C42%3F%2Fm1%2Fs1, 18.0, 102.0, 7.0, 18.0, 57.0, 18.0, 2.0, 3.43449997901917, 4.98000001907349, 12.5939998626709, 135.104705810547, 11.7957906723022, 2.0, 0.0, 9.0, 
-InChI%3D1S%2FC14H16N2.2ClH%2Fc1-9-7-11%283-5-13%289%2915%2912-4-6-14%2816%2910%282%298-12%3B%3B%2Fh3-8H%2C15-16H2%2C1-2H3%3B2%2A1H, 12.0, 36.0, 0.0, 1.0, 17.0, 12.0, 0.0, -0.215800002217293, 2.55999994277954, 4.36999988555908, 19.4484004974365, 0.0465696416795254, 0.0, 2.0, 14.0, 
-InChI%3D1S%2FC8H15N3O7%2Fc1-11%2810-17%298%2816%299-4-6%2814%295%2813%293%282-12%2918-7%284%2915%2Fh3-7%2C12-15H%2C2H2%2C1H3%2C%28H%2C9%2C16%29%2Ft3%3F%2C4%3F%2C5-%2C6-%2C7%2B%2Fm1%2Fs1, 0.0, 33.0, 7.0, 4.0, 18.0, 0.0, 0.0, -1.73989999294281, 1.24000000953674, -2.33699989318848, 56.0966987609863, 3.02725195884705, 0.0, 5.0, 6.0, 
-InChI%3D1S%2FC12H11N3.C2H4O2%2Fc1-7-12-8-4-2-3-5-9%288%2915-10%2812%296-11%2813%2914-7%3B1-2%283%294%2Fh2-6%2C15H%2C1H3%2C%28H2%2C13%2C14%29%3B1H3%2C%28H%2C3%2C4%29, 6.0, 35.0, 4.0, 0.0, 20.0, 10.0, , -0.670799970626831, 2.45000004768372, , 35.1880989074707, 0.449972629547119, 2.0, 3.0, 7.0, 
-InChI%3D1S%2FC4H9NO2%2Fc1-4%282%293-7-5-6%2Fh4H%2C3H2%2C1-2H3, 0.0, 16.0, 7.0, 3.0, 6.0, 0.0, 0.0, -1.46490001678467, 1.57000005245209, 1.92999994754791, 25.7915000915527, 2.14593195915222, 3.0, 0.0, 3.0, 
-InChI%3D1S%2FC3H4O2%2Fc4-3-1-2-5-3%2Fh1-2H2, 0.0, 9.0, 0.0, 0.0, 5.0, 0.0, 0.0, -0.0447000004351139, 1.57000005245209, -0.138999998569489, 15.5530996322632, 0.00199808995239437, 0.0, 0.0, 3.0, 
-InChI%3D1S%2FC10H8N4%2Fc11-8-5-4-7-10%2813-8%2914-6-2-1-3-9%2814%2912-7%2Fh1-6H%2C%28H2%2C11%2C13%29, 0.0, 28.0, 0.0, 0.0, 16.0, 5.0, 0.0, -1.02540004253387, 2.11999988555908, 1.56900000572205, 34.0446014404297, 1.05144512653351, 0.0, 3.0, 3.0, 
-InChI%3D1S%2FC14H10Cl4%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2918%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13-14H, 12.0, 28.0, 4.0, 3.0, 19.0, 12.0, 1.0, 2.6538999080658, 2.55999994277954, 6.36700010299683, 30.1860008239746, 7.04318523406982, 2.0, 0.0, 6.0, 
-InChI%3D1S%2FC13H18Cl2N2O2%2Fc14-5-7-17%288-6-15%2911-3-1-10%282-4-11%299-12%2816%2913%2818%2919%2Fh1-4%2C12H%2C5-9%2C16H2%2C%28H%2C18%2C19%29%2Ft12-%2Fm0%2Fs1, 6.0, 37.0, 7.0, 8.0, 19.0, 6.0, 0.0, 0.463800013065338, 2.23000001907349, 0.514999985694885, 52.6076011657715, 0.215110436081886, 3.0, 2.0, 7.0, 
-InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3, 0.0, 10.0, 0.0, 0.0, 4.0, 0.0, 0.0, -0.141599997878075, 1.67999994754791, 0.270000010728836, 15.6279001235962, 0.0200505591928959, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H10N2.2ClH%2Fc8-9-6-7-4-2-1-3-5-7%3B%3B%2Fh1-5%2C9H%2C6%2C8H2%3B2%2A1H, 6.0, 23.0, 3.0, 2.0, 9.0, 6.0, 0.0, -1.00429999828339, 1.78999996185303, 3.14199995994568, 13.2962999343872, 1.00861847400665, 0.0, 2.0, 6.0, 
-InChI%3D1S%2FC12H4Cl4O2%2Fc13-5-1-9-10%282-6%285%2914%2918-12-4-8%2816%297%2815%293-11%2812%2917-9%2Fh1-4H, 12.0, 22.0, 0.0, 0.0, 20.0, 12.0, 0.0, 2.66899991035461, 2.11999988555908, 4.15999984741211, 25.7005996704102, 7.12356090545654, 0.0, 0.0, 14.0, 
-InChI%3D1S%2FC26H29NO.C6H8O7%2Fc1-4-25%2821-11-7-5-8-12-21%2926%2822-13-9-6-10-14-22%2923-15-17-24%2818-16-23%2928-20-19-27%282%293%3B7-3%288%291-6%2813%2C5%2811%2912%292-4%289%2910%2Fh5-18H%2C4%2C19-20H2%2C1-3H3%3B13H%2C1-2H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29%28H%2C11%2C12%29, 18.0, 78.0, 13.0, 13.0, 42.0, 18.0, 2.0, -0.924600005149841, 3.99000000953674, 8.50899982452393, 79.1876983642578, 0.854885160923004, 5.0, 4.0, 21.0, 
-InChI%3D1S%2FC4H3FN2O2%2Fc5-2-1-6-4%289%297-3%282%298%2Fh1H%2C%28H2%2C6%2C7%2C8%2C9%29, 6.0, 12.0, 0.0, 0.0, 9.0, 6.0, 0.0, -0.4408999979496, 1.35000002384186, -0.503000020980835, 6.00169992446899, 0.194392815232277, 0.0, 2.0, 8.0, 
-InChI%3D1S%2FC3H5NO2%2Fc1-2-6-3%284%295%2Fh2H%2C1H2%2C%28H2%2C4%2C5%29, 0.0, 11.0, 6.0, 2.0, 5.0, 0.0, 0.0, 0.655700027942657, 1.46000003814697, 0.949999988079071, 19.2166004180908, 0.429942488670349, 0.0, 2.0, 6.0, 
-InChI%3D1S%2FC7H8ClN%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C9H2%2C1H3, 6.0, 17.0, 0.0, 0.0, 9.0, 6.0, 0.0, 0.636399984359741, 2.00999999046326, 1.97399997711182, 15.3397998809814, 0.405004948377609, 0.0, 1.0, 7.0, 
-InChI%3D1S%2FC6H10O2%2Fc1-2-3-7-4-6-5-8-6%2Fh2%2C6H%2C1%2C3-5H2, 0.0, 18.0, 5.0, 4.0, 8.0, 0.0, 0.0, 0.383700013160706, 1.89999997615814, 0.272000014781952, 30.919900894165, 0.147225692868233, 3.0, 0.0, 2.0, 
-InChI%3D1S%2FC12H9N%2Fc1-3-7-11-9%285-1%2910-6-2-4-8-12%2810%2913-11%2Fh1-8%2C13H, 12.0, 21.0, 0.0, 0.0, 15.0, 15.0, 0.0, 0.0, 2.67000007629395, 4.19000005722046, 0.0, 0.0, 0.0, 1.0, 13.0, 
-InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2, 0.0, 5.0, 3.0, 0.0, 2.0, 0.0, 0.0, 1.07290005683899, 1.35000002384186, 1.51900005340576, 16.4382991790771, 1.15111446380615, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC20H38N6O4%2Fc1-12%282%299-16%2824-14%285%2928%2919%2830%2926-17%2810-13%283%294%2918%2829%2925-15%2811-27%297-6-8-23-20%2821%2922%2Fh11-13%2C15-17H%2C6-10H2%2C1-5H3%2C%28H%2C24%2C28%29%28H%2C25%2C29%29%28H%2C26%2C30%29%28H4%2C21%2C22%2C23%29%2Ft15-%2C16-%2C17-%2Fm0%2Fs1, 0.0, 68.0, 30.0, 15.0, 29.0, 0.0, 2.0, -0.275499999523163, 2.55999994277954, 2.73799991607666, 106.290199279785, 0.0759002491831779, 5.0, 6.0, 4.0, 
-InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2, 0.0, 8.0, 4.0, 1.0, 3.0, 0.0, 0.0, 1.51180005073547, 1.46000003814697, 1.74000000953674, 20.6555995941162, 2.28553915023804, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2, 0.0, 11.0, 6.0, 2.0, 5.0, 0.0, 0.0, 2.49469995498657, 1.46000003814697, 3.0550000667572, 35.636100769043, 6.2235279083252, 3.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H6N4O4%2Fc7-6%2811%299-8-3-4-1-2-5%2814-4%2910%2812%2913%2Fh1-3H%2C%28H3%2C7%2C9%2C11%29%2Fb8-3-, 5.0, 20.0, 6.0, 4.0, 14.0, 5.0, 0.0, -0.309399992227554, 1.24000000953674, 2.30399990081787, 23.0333995819092, 0.0957283601164818, 0.0, 3.0, 14.0, 
-InChI%3D1S%2FC11H16N4O4%2Fc1-7%2815-5-10%2818%2913-11%2819%296-15%292-14-3-8%2816%2912-9%2817%294-14%2Fh7H%2C2-6H2%2C1H3%2C%28H%2C12%2C16%2C17%29%28H%2C13%2C18%2C19%29, 0.0, 35.0, 3.0, 3.0, 20.0, 0.0, 0.0, -2.47090005874634, 1.78999996185303, -1.29999995231628, 64.4886016845703, 6.1053466796875, 3.0, 2.0, 5.0, 
-InChI%3D1S%2FC7H8N2O3%2Fc1-12-7-3-2-5%289%2810%2911%294-6%287%298%2Fh2-4H%2C8H2%2C1H3, 6.0, 20.0, 2.0, 2.0, 12.0, 6.0, 0.0, -0.848299980163574, 1.67999994754791, 1.20899999141693, 14.4237003326416, 0.719612896442413, 0.0, 1.0, 11.0, 
-InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-4-10-14%2812%2911%286-3-9%295-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29, 0.0, 29.0, 4.0, 5.0, 14.0, 0.0, 0.0, 0.0841000005602837, 1.46000003814697, 0.834999978542328, 55.7243003845215, 0.0070728100836277, 2.0, 1.0, 5.0, 
-InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2, 0.0, 26.0, 14.0, 9.0, 13.0, 0.0, 0.0, 2.20379996299744, 1.24000000953674, 1.60500001907349, 56.1287002563477, 4.85673427581787, 2.0, 0.0, 5.0, 
-InChI%3D1S%2FC22H42O4%2Fc1-5-9-13-19%287-3%2917-25-21%2823%2915-11-12-16-22%2824%2926-18-20%288-4%2914-10-6-2%2Fh19-20H%2C5-18H2%2C1-4H3, 0.0, 68.0, 26.0, 19.0, 25.0, 0.0, 2.0, -2.28920006752014, 3.44000005722046, 7.35599994659424, 92.5029983520508, 5.24043655395508, 7.0, 0.0, 3.0, 
-InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3, 0.0, 15.0, 6.0, 1.0, 5.0, 0.0, 0.0, -0.125900000333786, 1.67999994754791, 0.680999994277954, 24.7532005310059, 0.0158508103340864, 4.0, 1.0, 3.0, 
-InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3, 6.0, 21.0, 2.0, 1.0, 10.0, 6.0, 0.0, -0.159700006246567, 2.11999988555908, 1.64499998092651, 17.0400009155273, 0.0255040898919106, 0.0, 1.0, 8.0, 
-InChI%3D1S%2FC15H11ClN2O2%2Fc16-10-6-7-12-11%288-10%2913%289-4-2-1-3-5-9%2918-15%2820%2914%2819%2917-12%2Fh1-8%2C15%2C20H%2C%28H%2C17%2C19%29, 12.0, 31.0, 0.0, 1.0, 22.0, 12.0, 0.0, 0.234400004148483, 2.55999994277954, 4.36499977111816, 26.4554996490479, 0.054943360388279, 0.0, 2.0, 17.0, 
-InChI%3D1S%2FC10H13NO2%2Fc1-3-13-10-6-4-9%285-7-10%2911-8%282%2912%2Fh4-7H%2C3H2%2C1-2H3%2C%28H%2C11%2C12%29, 6.0, 26.0, 4.0, 3.0, 13.0, 6.0, 0.0, 0.126900002360344, 2.23000001907349, 2.60800004005432, 25.5104007720947, 0.0161036103963852, 2.0, 1.0, 10.0, 
-InChI%3D1S%2FC13H16F3N3O4%2Fc1-3-5-17%286-4-2%2912-10%2818%2820%2921%297-9%2813%2814%2C15%2916%298-11%2812%2919%2822%2923%2Fh7-8H%2C3-6H2%2C1-2H3, 6.0, 39.0, 7.0, 8.0, 23.0, 6.0, 0.0, 0.567900002002716, 1.78999996185303, 4.84499979019165, 42.1492004394531, 0.322510421276093, 3.0, 0.0, 13.0, 
-InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3, 0.0, 18.0, 6.0, 1.0, 5.0, 0.0, 0.0, 0.981800019741058, 1.89999997615814, 1.32000005245209, 26.8162994384766, 0.963931262493134, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC17H20N2O%2Fc1-18%282%2915-9-5-13%286-10-15%2917%2820%2914-7-11-16%2812-8-14%2919%283%294%2Fh5-12H%2C1-4H3, 12.0, 40.0, 3.0, 4.0, 21.0, 12.0, 0.0, 0.171800002455711, 3.0, 3.60899996757507, 33.9287986755371, 0.0295152403414249, 0.0, 0.0, 16.0, 
-InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2, 0.0, 13.0, 0.0, 0.0, 5.0, 0.0, 0.0, -0.706900000572205, 1.78999996185303, 0.526000022888184, 16.86669921875, 0.499707609415054, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FCH4N2O%2Fc2-3-1-4%2Fh1H%2C2H2%2C%28H%2C3%2C4%29, 0.0, 8.0, 4.0, 0.0, 3.0, 0.0, 0.0, -0.745999991893768, 1.24000000953674, -0.633000016212463, 15.1128997802734, 0.556515991687775, 0.0, 2.0, 4.0, 
-InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H%2Ft1-%2C2-%2C3-%2C4%3F%2C5%3F%2C6%2B%2Fm1%2Fs1, 0.0, 18.0, 0.0, 0.0, 12.0, 0.0, 0.0, 4.16340017318726, 1.46000003814697, 3.83400011062622, 54.0810012817383, 17.3339004516602, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC13H11ClO%2Fc14-12-6-7-13%2815%2911%289-12%298-10-4-2-1-3-5-10%2Fh1-7%2C9%2C15H%2C8H2, 12.0, 26.0, 0.0, 2.0, 16.0, 12.0, 1.0, 0.740199983119965, 2.67000007629395, 5.51700019836426, 12.7812004089355, 0.547896027565002, 0.0, 1.0, 7.0, 
-InChI%3D1S%2FC20H18ClNO6%2Fc1-10-7-12-14%2821%299-13%2817%2823%2916%2812%2920%2827%2928-10%2918%2824%2922-15%2819%2825%2926%298-11-5-3-2-4-6-11%2Fh2-6%2C9-10%2C15%2C23H%2C7-8H2%2C1H3%2C%28H%2C22%2C24%29%28H%2C25%2C26%29%2Ft10-%2C15%2B%2Fm1%2Fs1, 12.0, 46.0, 8.0, 5.0, 30.0, 12.0, 1.0, -0.159899994730949, 2.77999997138977, 4.59299993515015, 52.5177993774414, 0.0255680102854967, 3.0, 3.0, 13.0, 
-InChI%3D1S%2FC11H17N3O4%2Fc1-12-10-3-2-9%288-11%2810%2914%2817%2918%2913%284-6-15%295-7-16%2Fh2-3%2C8%2C12%2C15-16H%2C4-7H2%2C1H3, 6.0, 35.0, 7.0, 7.0, 18.0, 6.0, 0.0, -1.2257000207901, 1.89999997615814, 1.08200001716614, 38.7584991455078, 1.50234043598175, 2.0, 3.0, 11.0, 
-InChI%3D1S%2FC20H28O6%2Fc1-9-5-13-18%2824%2C15%289%2922%297-11%288-21%296-12-14-17%283%2C4%2920%2814%2C26%2916%2823%2910%282%2919%2812%2C13%2925%2Fh5-6%2C10%2C12-14%2C16%2C21%2C23-26H%2C7-8H2%2C1-4H3%2Ft10-%2C12%2B%2C13-%2C14-%2C16-%2C18-%2C19-%2C20%3F%2Fm1%2Fs1, 0.0, 54.0, 2.0, 1.0, 29.0, 0.0, 0.0, -1.10309994220734, 3.0, -1.05200004577637, 94.7273025512695, 1.21682965755463, 0.0, 5.0, 4.0, 
-InChI%3D1S%2FC16H19ClN4O2S%2Fc1-10-4-3-5-12%2811%2810%292%2919-14-8-13%2817%2920-16%2821-14%2924-9-15%2823%2918-6-7-22%2Fh3-5%2C8%2C22H%2C6-7%2C9H2%2C1-2H3%2C%28H%2C18%2C23%29%28H%2C19%2C20%2C21%29, 6.0, 47.0, 8.0, 6.0, 25.0, 6.0, 0.0, 1.45200002193451, 2.33999991416931, 2.47300004959106, 72.8536987304688, 2.10830402374268, 2.0, 4.0, 9.0, 
-InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H%2Ft1-%2C2-%2C3-%2C4%3F%2C5%3F%2C6%2B%2Fm0%2Fs1, 0.0, 18.0, 0.0, 0.0, 12.0, 0.0, 0.0, 4.16340017318726, 1.46000003814697, 3.83400011062622, 54.0810012817383, 17.3339004516602, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC5H9NO%2Fc1-6-4-2-3-5%286%297%2Fh2-4H2%2C1H3, 0.0, 16.0, 0.0, 0.0, 7.0, 0.0, 0.0, -0.774100005626678, 1.78999996185303, -0.170000001788139, 25.3111991882324, 0.599230825901031, 0.0, 0.0, 3.0, 
-InChI%3D1S%2FC12H8Cl6%2Fc13-8-9%2814%2911%2816%297-5-2-1-4%283-5%296%287%2910%288%2C15%2912%2811%2C17%2918%2Fh1-2%2C4-7H%2C3H2, 0.0, 26.0, 0.0, 0.0, 21.0, 0.0, 0.0, 3.06080007553101, 2.11999988555908, 4.1560001373291, 78.0286026000977, 9.36849689483643, 0.0, 0.0, 2.0, 
-InChI%3D1S%2FC7H5Cl3%2Fc8-7%289%2C10%296-4-2-1-3-5-6%2Fh1-5H, 6.0, 15.0, 4.0, 1.0, 10.0, 6.0, 0.0, 1.68819999694824, 1.89999997615814, 4.9539999961853, 20.9389991760254, 2.85001921653748, 0.0, 0.0, 6.0, 
-InChI%3D1S%2FC9H7N3O2S%2Fc10-9-11-8%285-15-9%296-1-3-7%284-2-6%2912%2813%2914%2Fh1-5H%2C%28H2%2C10%2C11%29, 6.0, 24.0, 2.0, 2.0, 16.0, 6.0, 0.0, 0.546999990940094, 1.78999996185303, 2.81800007820129, 27.4890995025635, 0.299208998680115, 0.0, 2.0, 9.0, 
-InChI%3D1S%2FC2H4N2O2%2Fc5-1-3-4-2-6%2Fh1-2H%2C%28H%2C3%2C5%29%28H%2C4%2C6%29, 0.0, 10.0, 6.0, 1.0, 5.0, 0.0, 0.0, -0.300999999046326, 1.24000000953674, 0.667999982833862, 19.657600402832, 0.090600997209549, 0.0, 2.0, 6.0, 
-InChI%3D1S%2FCHBr2Cl%2Fc2-1%283%294%2Fh1H, 0.0, 5.0, 4.0, 0.0, 3.0, 0.0, 0.0, 2.02480006217957, 1.24000000953674, 2.75, 26.9811992645264, 4.09981489181519, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC16H12N2O2%2Fc19-15-13-7-3-1-5-11%2813%299-17-16%2820%2914-8-4-2-6-12%2814%2910-18%2815%2917%2Fh1-8H%2C9-10H2, 12.0, 32.0, 0.0, 0.0, 23.0, 12.0, 0.0, -1.24639999866486, 2.77999997138977, 3.40400004386902, 24.3073997497559, 1.55351293087006, 0.0, 0.0, 18.0, 
-InChI%3D1S%2FC12H10FN%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C14H2, 12.0, 24.0, 0.0, 1.0, 15.0, 12.0, 0.0, -0.27020001411438, 2.55999994277954, 4.11100006103516, 5.09460020065308, 0.0730080381035805, 0.0, 1.0, 13.0, 
-InChI%3D1S%2FC8H6N4O4%2Fc9-8-10-6%2811-16-8%293-1-5-2-4-7%2815-5%2912%2813%2914%2Fh1-4H%2C%28H2%2C9%2C10%2C11%29%2Fb3-1%2B, 5.0, 24.0, 2.0, 3.0, 17.0, 5.0, 0.0, 0.0531000010669231, 1.46000003814697, 2.11700010299683, 31.3509006500244, 0.00281961006112397, 2.0, 3.0, 10.0, 
-InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H%2Ft1-%2C2-%2C3%2B%2C4%3F%2C5%3F%2C6-, 0.0, 18.0, 0.0, 0.0, 12.0, 0.0, 0.0, 4.16340017318726, 1.46000003814697, 3.83400011062622, 54.0810012817383, 17.3339004516602, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3, 6.0, 17.0, 3.0, 1.0, 10.0, 6.0, 0.0, 0.595399975776672, 1.89999997615814, 3.00600004196167, 8.38790035247803, 0.354501157999039, 0.0, 0.0, 9.0, 
-InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29, 0.0, 8.0, 6.0, 1.0, 5.0, 0.0, 0.0, 0.965200006961823, 1.24000000953674, 0.570999979972839, 22.619499206543, 0.931611061096191, 2.0, 1.0, 3.0, 
-InChI%3D1S%2FC12H12N2O3.Na%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%3B%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29%3B%2Fq%3B%2B1%2Fp-1, 6.0, 29.0, 2.0, 2.0, 18.0, 6.0, 0.0, , 2.11999988555908, 3.76099991798401, , , 2.0, 1.0, 8.0, 
-InChI%3D1S%2FC5H10N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H2, 0.0, 18.0, 2.0, 1.0, 8.0, 0.0, 0.0, -0.954599976539612, 1.67999994754791, 0.818000018596649, 26.8162994384766, 0.911261141300201, 0.0, 0.0, 3.0, 
-InChI%3D1S%2FC6H8N4O3S%2Fc1-2-7-5%2811%299-6-8-3-4%2814-6%2910%2812%2913%2Fh3H%2C2H2%2C1H3%2C%28H2%2C7%2C8%2C9%2C11%29, 5.0, 22.0, 6.0, 4.0, 14.0, 5.0, 0.0, 0.59799998998642, 1.24000000953674, 1.09899997711182, 31.4605007171631, 0.357603996992111, 2.0, 3.0, 12.0, 
-InChI%3D1S%2FC30H22O12%2Fc1-5-3-7%2831%299-11%2819%285%2933%2927%2841%2929-13-14-24%2838%2917%2829%2926%2840%2916-22%2836%2910-8%2832%294-6%282%2920%2834%2912%2810%2928%2842%2930%2814%2C16%2918%2823%2813%2937%2925%2839%2915%2829%2921%289%2935%2Fh3-4%2C13-14%2C17-18%2C23-24%2C31-34%2C37-40H%2C1-2H3, 12.0, 64.0, 0.0, 0.0, 49.0, 12.0, 1.0, -4.09240007400513, 3.44000005722046, -3.10199999809265, 95.5121994018555, 16.7477378845215, 0.0, 8.0, 15.0, 
-InChI%3D1S%2FC2H5Cl%2Fc1-2-3%2Fh2H2%2C1H3, 0.0, 8.0, 3.0, 0.0, 2.0, 0.0, 0.0, 1.09700000286102, 1.57000005245209, 1.39800000190735, 15.6061000823975, 1.20340895652771, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC12H12N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10%2C13-14H, 12.0, 26.0, 2.0, 3.0, 15.0, 12.0, 1.0, -0.840799987316132, 2.55999994277954, 5.67000007629395, 6.59999990463257, 0.706944644451141, 0.0, 2.0, 14.0, 
-InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3, 0.0, 15.0, 7.0, 3.0, 6.0, 0.0, 0.0, 0.862399995326996, 1.78999996185303, 0.955999970436096, 26.3542995452881, 0.743733763694763, 3.0, 0.0, 5.0, 
-InChI%3D1S%2FC14H8Cl4%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2918%2910-3-7-12%2816%298-4-10%2Fh1-8H, 12.0, 26.0, 4.0, 2.0, 19.0, 12.0, 1.0, 2.74130010604858, 2.55999994277954, 6.5149998664856, 30.6431007385254, 7.51472568511963, 2.0, 0.0, 14.0, 
-InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29, 0.0, 29.0, 7.0, 5.0, 14.0, 0.0, 0.0, 0.0841000005602837, 1.46000003814697, 0.834999978542328, 55.7243003845215, 0.0070728100836277, 2.0, 1.0, 5.0, 
-InChI%3D1S%2FC6H6N6O%2Fc1-12%2811-13%296-4-5%288-2-7-4%299-3-10-6%2Fh2-3H%2C1H3%2C%28H%2C7%2C8%2C9%2C10%29, 6.0, 18.0, 4.0, 2.0, 14.0, 10.0, 0.0, -0.0115000000223517, 1.35000002384186, -0.261000007390976, 14.3537998199463, 0.000132250002934597, 0.0, 2.0, 11.0, 
-InChI%3D1S%2FC13H17N3O4S.Na%2Fc1-10-12%2814%282%299-21%2818%2C19%2920%2913%2817%2916%2815%2810%293%2911-7-5-4-6-8-11%3B%2Fh4-8H%2C9H2%2C1-3H3%2C%28H%2C18%2C19%2C20%29%3B%2Fq%3B%2B1%2Fp-1, 6.0, 40.0, 7.0, 4.0, 22.0, 6.0, 0.0, , 1.89999997615814, 0.335999995470047, , , 0.0, 0.0, 10.0, 
-InChI%3D1S%2FC17H17ClO6%2Fc1-8-5-9%2819%296-12%2823-4%2917%288%2916%2820%2913-10%2821-2%297-11%2822-3%2914%2818%2915%2813%2924-17%2Fh6-8H%2C5H2%2C1-4H3%2Ft8-%2C17%3F%2Fm1%2Fs1, 6.0, 41.0, 2.0, 3.0, 26.0, 6.0, 0.0, -0.295199990272522, 2.55999994277954, 0.91100001335144, 64.8328018188477, 0.0871430411934853, 0.0, 0.0, 11.0, 
-InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H, 0.0, 5.0, 4.0, 0.0, 3.0, 0.0, 0.0, 1.6172000169754, 1.24000000953674, 2.07399988174438, 21.364200592041, 2.6153359413147, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC11H14O2%2Fc1-4-5-9-6-7-10%2812-2%2911%288-9%2913-3%2Fh4%2C6-8H%2C1%2C5H2%2C2-3H3, 6.0, 27.0, 3.0, 4.0, 13.0, 6.0, 0.0, 0.925100028514862, 2.45000004768372, 3.00300002098083, 29.5333995819092, 0.855809986591339, 3.0, 0.0, 8.0, 
-InChI%3D1S%2FC9H6N2O2%2Fc1-7-2-3-8%2810-5-12%294-9%287%2911-6-13%2Fh2-4H%2C1H3, 6.0, 19.0, 3.0, 2.0, 13.0, 6.0, 1.0, -0.627600014209747, 2.00999999046326, 5.42600011825562, 20.3850994110107, 0.393881767988205, 0.0, 0.0, 12.0, 
-InChI%3D1S%2FC3H4O2.Na%2Fc4-2-1-3-5%3B%2Fh1-4H%3B%2Fq%3B%2B1%2Fp-1%2Fb2-1-%3B, 0.0, 9.0, 5.0, 1.0, 4.0, 0.0, 0.0, , 1.46000003814697, -0.0439999997615814, , , 3.0, 0.0, 5.0, 
-InChI%3D1S%2FCN4O8%2Fc6-2%287%291%283%288%299%2C4%2810%2911%295%2812%2913, 0.0, 13.0, 13.0, 4.0, 12.0, 0.0, 0.0, 1.45580005645752, 0.25, 0.796999990940094, 13.8470001220703, 2.11935353279114, 0.0, 0.0, 3.0, 
-InChI%3D1S%2FC34H27N9O7S2.2Na%2Fc35-22-10-15-27%2826%2836%2918-22%2941-38-24-11-6-19%287-12-24%2920-8-13-25%2814-9-20%2940-42-32-28%2851%2845%2C46%2947%2916-21-17-29%2852%2848%2C49%2950%2933%2834%2844%2930%2821%2931%2832%2937%2943-39-23-4-2-1-3-5-23%3B%3B%2Fh1-18%2C44H%2C35-37H2%2C%28H%2C45%2C46%2C47%29%28H%2C48%2C49%2C50%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb41-38%2B%2C42-40%2B%2C43-39%2B%3B%3B, 34.0, 79.0, 3.0, 9.0, 57.0, 35.0, 2.0, , 3.0, 7.45599985122681, , , 0.0, 4.0, 52.0, 
-InChI%3D1S%2FC12H15N3O6%2Fc1-6-9%2813%2816%2917%297%282%2911%2815%2820%2921%298%2812%283%2C4%295%2910%286%2914%2818%2919%2Fh1-5H3, 6.0, 36.0, 3.0, 4.0, 21.0, 6.0, 0.0, 2.70040011405945, 1.78999996185303, 4.47599983215332, 38.7883987426758, 7.29216003417969, 0.0, 0.0, 15.0, 
-InChI%3D1S%2FC7H9NO.ClH%2Fc1-9-7-5-3-2-4-6%287%298%3B%2Fh2-5H%2C8H2%2C1H3%3B1H, 6.0, 20.0, 2.0, 1.0, 9.0, 6.0, 0.0, -0.801699995994568, 1.89999997615814, 1.83399999141693, 11.5378999710083, 0.642722904682159, 0.0, 1.0, 8.0, 
-InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296, 0.0, 6.0, 6.0, 0.0, 5.0, 0.0, 0.0, 2.42880010604858, 1.24000000953674, 3.02600002288818, 30.9454002380371, 5.89906930923462, 2.0, 0.0, 2.0, 
-InChI%3D1S%2FC9H7N7O2S%2Fc1-15-4-14-7%2816%2817%2918%299%2815%2919-8-5-6%2811-2-10-5%2912-3-13-8%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C12%2C13%29, 6.0, 25.0, 2.0, 3.0, 21.0, 15.0, 0.0, 0.659500002861023, 1.35000002384186, 0.365000009536743, 19.2740001678467, 0.434940248727798, 0.0, 3.0, 8.0, 
-InChI%3D1S%2FC18H22ClNO.ClH%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%3B%2Fh2-11%2C16H%2C12-15H2%2C1H3%3B1H, 12.0, 45.0, 9.0, 8.0, 22.0, 12.0, 1.0, 0.650699973106384, 3.0, 7.06099987030029, 38.2780990600586, 0.423410475254059, 3.0, 0.0, 7.0, 
-InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H, 10.0, 18.0, 0.0, 0.0, 11.0, 11.0, 1.0, 0.0, 2.55999994277954, 5.93800020217896, 0.0, 0.0, 0.0, 0.0, 10.0, 
-InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2, 0.0, 7.0, 0.0, 0.0, 3.0, 0.0, 0.0, -0.130899995565414, 1.57000005245209, -0.189999997615814, 11.0434999465942, 0.0171348098665476, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H8ClN.ClH%2Fc1-5-4-6%288%292-3-7%285%299%3B%2Fh2-4H%2C9H2%2C1H3%3B1H, 6.0, 19.0, 0.0, 0.0, 9.0, 6.0, 0.0, 0.636399984359741, 1.89999997615814, 2.48600006103516, 15.3397998809814, 0.405004948377609, 0.0, 1.0, 7.0, 
-InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H, 6.0, 14.0, 2.0, 1.0, 8.0, 6.0, 0.0, -0.192399993538857, 2.11999988555908, 3.07999992370605, 6.29390001296997, 0.0370177589356899, 0.0, 0.0, 8.0, 
-InChI%3D1S%2FC2H8N2.2ClH%2Fc1-3-4-2%3B%3B%2Fh3-4H%2C1-2H3%3B2%2A1H, 0.0, 16.0, 4.0, 1.0, 3.0, 0.0, 0.0, -0.63620001077652, 1.24000000953674, 1.60800004005432, 17.9934005737305, 0.404750436544418, 0.0, 2.0, 2.0, 
-InChI%3D1S%2FC7H14N2O%2Fc1-3-4-5-6-8-9%282%297-10%2Fh6-7H%2C3-5H2%2C1-2H3%2Fb8-6%2B, 0.0, 24.0, 10.0, 5.0, 9.0, 0.0, 0.0, -1.12549996376038, 1.89999997615814, 1.94200003147125, 38.3126983642578, 1.26675021648407, 5.0, 0.0, 5.0, 
-InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2, 0.0, 6.0, 3.0, 0.0, 2.0, 0.0, 0.0, 1.00199997425079, 1.57000005245209, 1.54900002479553, 14.7774000167847, 1.00400400161743, 0.0, 0.0, 2.0, 
-InChI%3D1S%2FCH2O%2Fc1-2%2Fh1H2, 0.0, 4.0, 1.0, 0.0, 1.0, 0.0, 0.0, -0.884100019931793, 1.46000003814697, 0.0209999997168779, 6.30700016021729, 0.781632781028748, 0.0, 0.0, 1.0, 
-InChI%3D1S%2F4C5H11NS2.H2Se%2Fc4%2A1-3-6%284-2%295%287%298%3B%2Fh4%2A3-4H2%2C1-2H3%2C%28H%2C7%2C8%29%3B1H2%2Fq%3B%3B%3B%3B%2B4%2Fp-4, 0.0, 73.0, 8.0, 12.0, 28.0, 0.0, 1.0, , 2.23000001907349, 4.86800003051758, , , 2.0, 0.0, 4.0, 
-InChI%3D1S%2FO3%2Fc1-3-2, 0.0, 3.0, 3.0, 0.0, 2.0, 0.0, 0.0, -0.817399978637695, 1.12999999523163, -0.815999984741211, 1.44289994239807, 0.668142735958099, 0.0, 0.0, 3.0, 
-InChI%3D1S%2FC7H6N4O3S%2Fc8-10-7-9-4%283-15-7%295-1-2-6%2814-5%2911%2812%2913%2Fh1-3H%2C8H2%2C%28H%2C9%2C10%29, 10.0, 21.0, 2.0, 3.0, 16.0, 10.0, 0.0, -0.625999987125397, 1.35000002384186, 0.989000022411346, 20.8824996948242, 0.391876012086868, 0.0, 2.0, 15.0, 
-InChI%3D1S%2FC9H4Cl6O4%2Fc10-3-4%2811%298%2813%292%286%2818%2919%291%285%2816%2917%297%283%2C12%299%288%2C14%2915%2Fh1-2H%2C%28H%2C16%2C17%29%28H%2C18%2C19%29, 0.0, 23.0, 3.0, 2.0, 20.0, 0.0, 0.0, 2.4423999786377, 1.35000002384186, 1.2849999666214, 71.7750015258789, 5.96531772613525, 0.0, 2.0, 3.0, 
-InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29, 0.0, 23.0, 10.0, 5.0, 9.0, 0.0, 0.0, -0.479900002479553, 1.67999994754791, -1.49500000476837, 40.1720008850098, 0.230304002761841, 4.0, 2.0, 3.0, 
-InChI%3D1S%2FC2H5NS%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, 0.0, 9.0, 4.0, 0.0, 3.0, 0.0, 0.0, 0.555599987506866, 1.46000003814697, 0.742999970912933, 20.3145999908447, 0.30869135260582, 2.0, 1.0, 2.0, 
-InChI%3D1S%2FC19H20N2O2%2Fc1-2-3-14-17-18%2822%2920%2815-10-6-4-7-11-15%2921%2819%2817%2923%2916-12-8-5-9-13-16%2Fh4-13%2C17H%2C2-3%2C14H2%2C1H3, 12.0, 43.0, 4.0, 5.0, 25.0, 12.0, 1.0, -1.68340003490448, 3.10999989509583, 5.66400003433228, 34.6782989501953, 2.83383560180664, 4.0, 0.0, 18.0, 
-InChI%3D1S%2FC6H6O4%2Fc7-2-4-1-5%288%296%289%293-10-4%2Fh1%2C3%2C7%2C9H%2C2H2, 0.0, 20.0, 2.0, 1.0, 10.0, 0.0, 0.0, -1.48800003528595, 1.67999994754791, -1.56200003623962, 32.7886009216309, 2.21414399147034, 0.0, 2.0, 1.0, 
-InChI%3D1S%2FC33H40N2O9%2Fc1-38-19-7-8-20-21-9-10-35-16-18-13-27%2844-32%2836%2917-11-25%2839-2%2930%2841-4%2926%2812-17%2940-3%2931%2842-5%2928%2833%2837%2943-6%2922%2818%2915-24%2835%2929%2821%2934-23%2820%2914-19%2Fh7-8%2C11-12%2C14%2C18%2C22%2C24%2C27-28%2C31%2C34H%2C9-10%2C13%2C15-16H2%2C1-6H3%2Ft18-%2C22%3F%2C24-%2C27%3F%2C28%2B%2C31%2B%2Fm1%2Fs1, 12.0, 83.0, 4.0, 10.0, 49.0, 16.0, 0.0, -0.443800002336502, 3.88000011444092, 2.89499998092651, 99.9578018188477, 0.196958437561989, 0.0, 1.0, 12.0, 
-InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H, 0.0, 5.0, 4.0, 0.0, 3.0, 0.0, 0.0, 1.82099997997284, 1.24000000953674, 2.41199994087219, 24.172700881958, 3.31604099273682, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29, 0.0, 16.0, 9.0, 4.0, 8.0, 0.0, 0.0, -0.114100001752377, 1.12999999523163, -0.857999980449677, 29.1236000061035, 0.0130188101902604, 2.0, 3.0, 6.0, 
-InChI%3D1S%2FC6H10N6O%2Fc1-12%282%2911-10-6-4%285%287%2913%298-3-9-6%2Fh3H%2C1-2H3%2C%28H2%2C7%2C13%29%28H%2C8%2C9%29%2Fb11-10-, 0.0, 22.0, 5.0, 3.0, 13.0, 5.0, 0.0, -0.520699977874756, 1.35000002384186, -1.77999997138977, 26.0491008758545, 0.271128475666046, 0.0, 3.0, 3.0, 
-InChI%3D1S%2FC12H12N2%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C13-14H2, 12.0, 26.0, 0.0, 1.0, 15.0, 12.0, 0.0, -1.49979996681213, 2.55999994277954, 3.12199997901917, 8.44419956207275, 2.24940013885498, 0.0, 2.0, 14.0, 
-InChI%3D1S%2FC8H6N4O4S%2Fc1-4%2813%299-8-11-10-7%2817-8%295-2-3-6%2816-5%2912%2814%2915%2Fh2-3H%2C1H3%2C%28H%2C9%2C11%2C13%29, 10.0, 23.0, 4.0, 3.0, 18.0, 10.0, 0.0, 0.318199992179871, 1.35000002384186, 1.28699994087219, 26.1991996765137, 0.101251237094402, 2.0, 2.0, 16.0, 
-InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2%2Fb2-1%2B, 0.0, 12.0, 6.0, 2.0, 5.0, 0.0, 0.0, 1.97959995269775, 1.67999994754791, 1.94000005722046, 30.9741992950439, 3.91881608963013, 4.0, 0.0, 2.0, 
-InChI%3D1S%2FCH5N3O.ClH%2Fc2-1%285%294-3%3B%2Fh3H2%2C%28H3%2C2%2C4%2C5%29%3B1H, 0.0, 12.0, 5.0, 1.0, 4.0, 0.0, 0.0, -0.670000016689301, 1.01999998092651, -0.151999995112419, 16.2616004943848, 0.448900014162064, 0.0, 4.0, 5.0, 
-InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-1-2-8%286-10%294-3-7%2Fh1-4H2, 0.0, 18.0, 2.0, 2.0, 10.0, 0.0, 0.0, -0.181199997663498, 1.24000000953674, -0.512000024318695, 36.1629981994629, 0.0328334383666515, 0.0, 0.0, 3.0, 
-InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3%2Fb6-5-, 0.0, 20.0, 9.0, 3.0, 8.0, 0.0, 0.0, -0.499000012874603, 1.78999996185303, 2.0699999332428, 30.1527004241943, 0.249000996351242, 6.0, 0.0, 5.0, 
-InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H, 5.0, 9.0, 0.0, 0.0, 5.0, 5.0, 0.0, -0.154100000858307, 1.78999996185303, 1.01800000667572, 1.61909997463226, 0.0237468108534813, 0.0, 0.0, 5.0, 
-InChI%3D1S%2FBrHO3.K%2Fc2-1%283%294%3B%2Fh%28H%2C2%2C3%2C4%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 5.0, 4.0, 0.0, 3.0, 0.0, 0.0, , 0.910000026226044, 0.0520000010728836, , , 0.0, 0.0, 4.0, 
-InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H, 0.0, 6.0, 5.0, 0.0, 4.0, 0.0, 0.0, 1.74279999732971, 1.35000002384186, 2.64199995994568, 25.2621994018555, 3.03735184669495, 2.0, 0.0, 2.0, 
-InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3, 0.0, 18.0, 11.0, 4.0, 10.0, 0.0, 0.0, 1.03320002555847, 1.12999999523163, 1.20700001716614, 42.2757987976074, 1.06750226020813, 2.0, 0.0, 7.0, 
-InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3, 0.0, 44.0, 17.0, 12.0, 16.0, 0.0, 1.0, -1.63800001144409, 2.23000001907349, 3.35999989509583, 60.3110008239746, 2.68304395675659, 4.0, 0.0, 5.0, 
-InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3, 6.0, 19.0, 3.0, 2.0, 13.0, 6.0, 0.0, 0.548799991607666, 1.57000005245209, 2.68199992179871, 11.273699760437, 0.301181435585022, 0.0, 0.0, 12.0, 
-InChI%3D1S%2FC20H14O4%2Fc21-15-9-5-13%286-10-15%2920%2814-7-11-16%2822%2912-8-14%2918-4-2-1-3-17%2818%2919%2823%2924-20%2Fh1-12%2C21-22H, 18.0, 38.0, 0.0, 2.0, 27.0, 18.0, 0.0, -1.29659998416901, 3.22000002861023, 4.90999984741211, 13.7238998413086, 1.68117153644562, 0.0, 2.0, 9.0, 
-InChI%3D1S%2FC8H12N2.H2O4S%2Fc9-10-7-6-8-4-2-1-3-5-8%3B1-5%282%2C3%294%2Fh1-5%2C10H%2C6-7%2C9H2%3B%28H2%2C1%2C2%2C3%2C4%29, 6.0, 29.0, 5.0, 3.0, 14.0, 6.0, 0.0, -1.40649998188019, 1.57000005245209, 1.13399994373322, 30.9452991485596, 1.97824227809906, 2.0, 4.0, 6.0, 
-InChI%3D1S%2FC10Cl10O%2Fc11-2-1%2821%293%2812%296%2815%294%282%2C13%298%2817%295%282%2C14%297%283%2C16%299%286%2C18%2910%288%2C19%2920, 0.0, 21.0, 0.0, 0.0, 25.0, 0.0, 0.0, 4.4987998008728, 1.35000002384186, 3.7260000705719, 83.1997985839844, 20.239200592041, 0.0, 0.0, 2.0, 
-InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, 12.0, 27.0, 0.0, 2.0, 16.0, 12.0, 0.0, -1.65390002727509, 2.45000004768372, 2.62400007247925, 10.0633001327515, 2.73538517951965, 0.0, 2.0, 15.0, 
-InChI%3D1S%2FC13H13N3O%2Fc1-17-13-9-11%287-8-12%2813%2914%2916-15-10-5-3-2-4-6-10%2Fh2-9H%2C14H2%2C1H3%2Fb16-15%2B, 12.0, 30.0, 2.0, 3.0, 18.0, 12.0, 0.0, -0.801699995994568, 2.45000004768372, 4.41499996185303, 11.5378999710083, 0.642722904682159, 0.0, 1.0, 16.0, 
-InChI%3D1S%2FC2H8N2.ClH%2Fc1-2-4-3%3B%2Fh4H%2C2-3H2%2C1H3%3B1H, 0.0, 14.0, 4.0, 1.0, 3.0, 0.0, 0.0, -0.6632000207901, 1.35000002384186, 0.144999995827675, 18.5746002197266, 0.439834237098694, 2.0, 2.0, 2.0, 
-InChI%3D1S%2FC9H10O2%2Fc1-8%2810%2911-7-9-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3, 6.0, 21.0, 5.0, 3.0, 11.0, 6.0, 0.0, -0.0696000009775162, 2.23000001907349, 3.1489999294281, 16.4283008575439, 0.00484415981918573, 2.0, 0.0, 6.0, 
-InChI%3D1S%2FC10H9Cl7%2Fc1-4-6%282%2C3%298%2813%295%2811%297%284%2C12%299%2814%2C15%2910%288%2C16%2917%2Fh5H%2C1H2%2C2-3H3%2Ft5%3F%2C7-%2C8-%2Fm0%2Fs1, 0.0, 26.0, 0.0, 0.0, 18.0, 0.0, 0.0, 5.21360015869141, 1.78999996185303, 4.35300016403198, 76.4124984741211, 27.1816253662109, 0.0, 0.0, 2.0, 
-InChI%3D1S%2FC6H6Cl2N2%2Fc7-4-1-3%289%292-5%288%296%284%2910%2Fh1-2H%2C9-10H2, 6.0, 16.0, 0.0, 0.0, 10.0, 6.0, 0.0, -0.0111999996006489, 1.67999994754791, 0.927999973297119, 19.6753997802734, 0.000125439997646026, 0.0, 2.0, 8.0, 
-InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2%2Ft3-%2C4%2B%2C5%2B%2C6-, 0.0, 24.0, 12.0, 5.0, 11.0, 0.0, 0.0, -0.241999998688698, 1.46000003814697, -0.272000014781952, 50.472599029541, 0.0585639998316765, 6.0, 4.0, 0.0, 
-InChI%3D1S%2FC3H7N5O3%2Fc1-2-7%286-9%293%284%295-8%2810%2911%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29, 0.0, 18.0, 11.0, 5.0, 10.0, 0.0, 0.0, 0.234099999070168, 0.910000026226044, 0.896000027656555, 30.2331008911133, 0.0548028089106083, 2.0, 2.0, 9.0, 
-InChI%3D1S%2FC12H14N4O2S%2Fc1-8-7-9%282%2915-12%2814-8%2916-19%2817%2C18%2911-5-3-10%2813%294-6-11%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29, 12.0, 33.0, 4.0, 3.0, 20.0, 12.0, 0.0, -0.807399988174438, 2.00999999046326, 1.73399996757507, 26.8286991119385, 0.651894748210907, 0.0, 2.0, 17.0, 
-InChI%3D1S%2FC10H5Cl7%2Fc11-4-2-1-3-5%284%299%2815%297%2813%296%2812%298%283%2C14%2910%289%2C16%2917%2Fh1-5H, 0.0, 22.0, 0.0, 0.0, 19.0, 0.0, 0.0, 4.0327000617981, 1.78999996185303, 3.54999995231628, 75.8010025024414, 16.2626686096191, 0.0, 0.0, 2.0, 
-InChI%3D1S%2FC34H59NO15%2Fc1-5-6-9-20%283%2932%2850-31%2844%2917-23%2834%2847%2948%2915-29%2841%2942%2927%2849-30%2843%2916-22%2833%2845%2946%2914-28%2839%2940%2913-19%282%2912-24%2836%2910-7-8-11-25%2837%2918-26%2838%2921%284%2935%2Fh19-27%2C32%2C36-38H%2C5-18%2C35H2%2C1-4H3%2C%28H%2C39%2C40%29%28H%2C41%2C42%29%28H%2C45%2C46%29%28H%2C47%2C48%29%2Ft19-%2C20%2B%2C21%2B%2C22%2B%2C23%2B%2C24%2B%2C25-%2C26%2B%2C27-%2C32-%2Fm1%2Fs1, 0.0, 109.0, 50.0, 31.0, 49.0, 0.0, 3.0, -4.60459995269775, 3.44000005722046, 1.73099994659424, 161.808502197266, 21.2023410797119, 20.0, 8.0, 3.0, 
-InChI%3D1S%2FC12H9NO2%2Fc14-13%2815%2911-7-6-9-5-4-8-2-1-3-10%2811%2912%288%299%2Fh1-3%2C6-7H%2C4-5H2, 10.0, 24.0, 3.0, 1.0, 17.0, 11.0, 0.0, 0.0781999975442886, 2.45000004768372, 4.86499977111816, 12.6166000366211, 0.00611524004489183, 0.0, 0.0, 13.0, 
-InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2, 0.0, 8.0, 4.0, 1.0, 3.0, 0.0, 0.0, 1.80079996585846, 1.46000003814697, 2.41599988937378, 26.6226005554199, 3.24288058280945, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FCo.H2O4S.7H2O%2Fc%3B1-5%282%2C3%294%3B%3B%3B%3B%3B%3B%3B%2Fh%3B%28H2%2C1%2C2%2C3%2C4%29%3B7%2A1H2%2Fq%2B2%3B%3B%3B%3B%3B%3B%3B%3B%2Fp-2, 0.0, 27.0, 5.0, 0.0, 4.0, 0.0, 2.0, , 0.0299999993294477, -5.03299999237061, , , 0.0, 7.0, 5.0, 
-InChI%3D1S%2FC15H9NO4%2Fc1-8-6-7-11-12%2813%288%2916%2819%2920%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C1H3, 12.0, 29.0, 2.0, 1.0, 22.0, 12.0, 0.0, 0.0678000003099442, 2.55999994277954, 3.65100002288818, 19.0799007415771, 0.00459684012457728, 0.0, 0.0, 19.0, 
-InChI%3D1S%2FC16H17NO2%2Fc1-18-15-9-10-16%2819-2%2913%2811-15%296-3-12-4-7-14%2817%298-5-12%2Fh3-11H%2C17H2%2C1-2H3%2Fb6-3%2B, 12.0, 36.0, 2.0, 4.0, 20.0, 12.0, 0.0, -0.385699987411499, 2.89000010490417, 4.19600009918213, 29.1723003387451, 0.148764491081238, 2.0, 1.0, 17.0, 
-InChI%3D1S%2FC13H13N3.C2H4O2%2Fc1-7-12-11%288%282%2915-13%287%2914%299-5-3-4-6-10%289%2916-12%3B1-2%283%294%2Fh3-6%2C16H%2C1-2H3%2C%28H2%2C14%2C15%29%3B1H3%2C%28H%2C3%2C4%29, 6.0, 38.0, 4.0, 0.0, 21.0, 10.0, , -0.410800009965897, 2.55999994277954, , 39.9930000305176, 0.168756633996964, 2.0, 3.0, 7.0, 
-InChI%3D1S%2FC6H4ClNO2%2Fc7-5-3-1-2-4-6%285%298%289%2910%2Fh1-4H, 6.0, 14.0, 3.0, 1.0, 10.0, 6.0, 0.0, 0.697700023651123, 1.67999994754791, 2.77900004386902, 8.50139999389648, 0.486785292625427, 0.0, 0.0, 9.0, 
-InChI%3D1S%2FC11H12N3O3%2Fc12-10%2815%296-9-11%2816%2917-13-14%289%297-8-4-2-1-3-5-8%2Fh1-5%2C16H%2C6-7H2%2C%28H2%2C12%2C15%29%2Fq%2B1%2Fp-1, 6.0, 32.0, 4.0, 4.0, 18.0, 6.0, 0.0, -1.49870002269745, 2.00999999046326, 1.87100005149841, 30.7980003356934, 2.24610161781311, 2.0, 3.0, 6.0, 
-InChI%3D1S%2FC20H12%2Fc1-2-7-17-15%284-1%2912-16-9-8-13-5-3-6-14-10-11-18%2817%2920%2816%2919%2813%2914%2Fh1-12H, 20.0, 32.0, 0.0, 0.0, 24.0, 24.0, 1.0, 0.0, 3.66000008583069, 10.2119998931885, 0.0, 0.0, 0.0, 0.0, 20.0, 
-InChI%3D1S%2FC8H6N4O4S%2Fc13-4-9-11-8-10-5%283-17-8%296-1-2-7%2816-6%2912%2814%2915%2Fh1-4H%2C%28H%2C9%2C13%29%28H%2C10%2C11%29, 10.0, 23.0, 4.0, 4.0, 18.0, 10.0, 0.0, -0.180999994277954, 1.35000002384186, 2.51999998092651, 25.4272003173828, 0.0327610000967979, 0.0, 2.0, 17.0, 
-InChI%3D1S%2FC2H3Cl3%2Fc3-1-2%284%295%2Fh2H%2C1H2, 0.0, 8.0, 5.0, 1.0, 4.0, 0.0, 0.0, 1.95550000667572, 1.35000002384186, 2.15799999237061, 25.7096996307373, 3.8239803314209, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC15H12N2O2%2Fc18-13-15%2817-14%2819%2916-13%2C11-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H%2C%28H2%2C16%2C17%2C18%2C19%29, 12.0, 31.0, 0.0, 2.0, 21.0, 12.0, 0.0, -0.575900018215179, 2.67000007629395, 4.85400009155273, 19.0569000244141, 0.331660807132721, 0.0, 2.0, 6.0, 
-InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920-3%2921-15-10-6-13%287-11-15%2912-4-8-14%2818%299-5-12%2Fh4-11H%2C1-3H3, 12.0, 38.0, 8.0, 5.0, 22.0, 12.0, 1.0, 1.19550001621246, 2.89000010490417, 5.1729998588562, 32.9911003112793, 1.42922019958496, 3.0, 0.0, 13.0, 
-InChI%3D1S%2FC7H3Cl5O%2Fc1-13-7-5%2811%293%289%292%288%294%2810%296%287%2912%2Fh1H3, 6.0, 16.0, 2.0, 1.0, 13.0, 6.0, 0.0, 3.66969990730286, 1.57000005245209, 2.83200001716614, 35.393798828125, 13.4666976928711, 0.0, 0.0, 7.0, 
-InChI%3D1S%2FC12H11N.ClH%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%3B%2Fh1-9H%2C13H2%3B1H, 12.0, 26.0, 0.0, 1.0, 14.0, 12.0, 1.0, -0.749899983406067, 2.55999994277954, 5.50799989700317, 4.22209978103638, 0.562350034713745, 0.0, 1.0, 13.0, 
-InChI%3D1S%2FC10H17Cl2NOS%2Fc1-7%282%2913%288%283%294%2910%2814%2915-6-9%2812%295-11%2Fh5%2C7-8H%2C6H2%2C1-4H3, 0.0, 32.0, 15.0, 6.0, 14.0, 0.0, 0.0, 1.72119998931885, 2.00999999046326, 3.44000005722046, 70.0038986206055, 2.96252942085266, 3.0, 0.0, 3.0, 
-InChI%3D1S%2FC13H12N4.ClH%2Fc1-17-11-7-10%289-5-3-2-4-6-9%298-15-12%2811%2916-13%2817%2914%3B%2Fh2-8H%2C1H3%2C%28H2%2C14%2C15%2C16%29%3B1H, 12.0, 31.0, 0.0, 1.0, 19.0, 12.0, 1.0, -0.36719998717308, 2.33999991416931, 5.46600008010864, 16.8964004516602, 0.134835839271545, 0.0, 2.0, 16.0, 
-InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, 0.0, 9.0, 4.0, 0.0, 3.0, 0.0, 0.0, -0.0716999992728233, 1.46000003814697, 0.32600000500679, 13.9007997512817, 0.00514088990166783, 2.0, 2.0, 3.0, 
-InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29, 6.0, 17.0, 4.0, 2.0, 10.0, 6.0, 0.0, -1.230299949646, 1.67999994754791, -0.570999979972839, 12.7256002426147, 1.51363813877106, 0.0, 2.0, 10.0, 
-InChI%3D1S%2FC23H36N2O2%2Fc1-21%282%2C3%2925-20%2827%2917-8-7-15-14-6-9-18-23%285%2C13-11-19%2826%2924-18%2916%2814%2910-12-22%2815%2C17%294%2Fh11%2C13-18H%2C6-10%2C12H2%2C1-5H3%2C%28H%2C24%2C26%29%28H%2C25%2C27%29%2Ft14%3F%2C15%3F%2C16-%2C17%2B%2C18%2B%2C22-%2C23%2B%2Fm0%2Fs1, 0.0, 63.0, 7.0, 2.0, 30.0, 0.0, 1.0, 1.89079999923706, 3.54999995231628, 5.31099987030029, 105.400901794434, 3.57512474060059, 0.0, 2.0, 5.0, 
-InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2, 0.0, 11.0, 2.0, 1.0, 5.0, 0.0, 0.0, -0.641600012779236, 1.57000005245209, -0.861999988555908, 17.0060005187988, 0.411650568246841, 0.0, 1.0, 0.0, 
-InChI%3D1S%2FC10H12O2%2Fc1-3-10%2811%298-4-6-9%2812-2%297-5-8%2Fh3-7%2C10-11H%2C1H2%2C2H3, 6.0, 24.0, 4.0, 3.0, 12.0, 6.0, 0.0, 0.144999995827675, 2.33999991416931, 2.04999995231628, 23.425500869751, 0.0210250001400709, 3.0, 1.0, 7.0, 
-InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3, 0.0, 7.0, 4.0, 0.0, 3.0, 0.0, 0.0, -0.280600011348724, 1.24000000953674, 0.34799998998642, 8.30230045318604, 0.0787363573908806, 0.0, 0.0, 2.0, 
-InChI%3D1S%2FC12H11N3.C2H4O2%2Fc1-7-6-9-8-4-2-3-5-10%288%2914-12%289%2915-11%287%2913%3B1-2%283%294%2Fh2-6H%2C1H3%2C%28H3%2C13%2C14%2C15%29%3B1H3%2C%28H%2C3%2C4%29, 6.0, 35.0, 4.0, 0.0, 20.0, 10.0, , -0.0904999971389771, 2.45000004768372, , 35.451000213623, 0.00819025002419949, 2.0, 3.0, 7.0, 
-InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29, 0.0, 12.0, 0.0, 0.0, 6.0, 0.0, 0.0, -0.884400010108948, 1.24000000953674, 0.347000002861023, 18.7336006164551, 0.782163381576538, 0.0, 4.0, 5.0, 
-InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3, 0.0, 12.0, 4.0, 0.0, 3.0, 0.0, 0.0, -0.377700001001358, 1.46000003814697, -1.38499999046326, 19.5755004882812, 0.142657294869423, 0.0, 1.0, 2.0, 
-InChI%3D1S%2FC19H17N3.ClH%2Fc20-16-7-1-13%282-8-16%2919%2814-3-9-17%2821%2910-4-14%2915-5-11-18%2822%2912-6-15%3B%2Fh1-12%2C20H%2C21-22H2%3B1H, 12.0, 41.0, 0.0, 2.0, 24.0, 12.0, 0.0, -0.806599974632263, 3.10999989509583, 4.68300008773804, 43.4127006530762, 0.650603532791138, 0.0, 3.0, 22.0, 
-InChI%3D1S%2FC14H7ClF3NO5%2Fc15-10-5-7%2814%2816%2C17%2918%291-4-12%2810%2924-8-2-3-11%2819%2822%2923%299%286-8%2913%2820%2921%2Fh1-6H%2C%28H%2C20%2C21%29, 12.0, 31.0, 3.0, 5.0, 25.0, 12.0, 1.0, 1.40190005302429, 1.89999997615814, 5.01800012588501, 23.7744007110596, 1.96532356739044, 0.0, 1.0, 19.0, 
-InChI%3D1S%2FC12H12N4%2Fc1-7-6-9-8%284-3-5-14-9%2910-11%287%2916%282%2912%2813%2915-10%2Fh3-6H%2C1-2H3%2C%28H2%2C13%2C15%29, 10.0, 28.0, 0.0, 0.0, 18.0, 11.0, 0.0, 0.274800002574921, 2.33999991416931, 2.96399998664856, 22.3985004425049, 0.0755150392651558, 0.0, 2.0, 14.0, 
-InChI%3D1S%2FC9H10N4S%2Fc10-7-3-1-6%282-4-7%298-5-14-9%2812-8%2913-11%2Fh1-5H%2C10-11H2%2C%28H%2C12%2C13%29, 11.0, 24.0, 2.0, 2.0, 15.0, 11.0, 0.0, -1.17519998550415, 1.89999997615814, 1.28799998760223, 20.5997009277344, 1.38109505176544, 0.0, 4.0, 14.0, 
-InChI%3D1S%2FC7H10N2%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C8-9H2%2C1H3, 6.0, 19.0, 0.0, 0.0, 9.0, 6.0, 0.0, -0.857800006866455, 2.00999999046326, 0.84799998998642, 13.9462995529175, 0.735820829868317, 0.0, 2.0, 8.0, 
-InChI%3D1S%2FC6H8N2.2ClH%2Fc7-5-3-1-2-4-6%285%298%3B%3B%2Fh1-4H%2C7-8H2%3B2%2A1H, 6.0, 20.0, 0.0, 0.0, 8.0, 6.0, 0.0, -1.49979996681213, 1.67999994754791, 1.75999999046326, 8.44419956207275, 2.24940013885498, 0.0, 2.0, 8.0, 
-InChI%3D1S%2FC12H14N4.4ClH%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%3B%3B%3B%3B%2Fh1-6H%2C13-16H2%3B4%2A1H, 12.0, 38.0, 0.0, 1.0, 17.0, 12.0, 0.0, -2.99959993362427, 1.89999997615814, 2.68799996376038, 16.8883991241455, 8.99760055541992, 0.0, 4.0, 16.0, 
-InChI%3D1S%2FC12HBr9%2Fc13-2-1-3%2814%296%2815%297%2816%294%282%295-8%2817%2910%2819%2912%2821%2911%2820%299%285%2918%2Fh1H, 12.0, 22.0, 0.0, 1.0, 22.0, 12.0, 1.0, 7.99919986724854, 1.78999996185303, 8.66600036621094, 77.3918991088867, 63.9872016906738, 0.0, 0.0, 12.0, 
-InChI%3D1S%2FC7H8N2O%2Fc8-9-7%2810%296-4-2-1-3-5-6%2Fh1-5H%2C8H2%2C%28H%2C9%2C10%29, 6.0, 18.0, 4.0, 1.0, 10.0, 6.0, 0.0, -0.677100002765656, 1.89999997615814, 2.34899997711182, 13.7604999542236, 0.458464413881302, 0.0, 2.0, 10.0, 
-InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H, 6.0, 19.0, 0.0, 0.0, 12.0, 6.0, 0.0, 0.00609999988228083, 2.23000001907349, 2.45099997520447, 15.7062997817993, 3.72100003005471e-05, 0.0, 0.0, 9.0, 
-InChI%3D1S%2FC6H7ClN2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H%2C8-9H2, 6.0, 16.0, 0.0, 0.0, 9.0, 6.0, 0.0, -0.755500018596649, 1.78999996185303, 0.832000017166138, 14.0598001480103, 0.570780277252197, 0.0, 2.0, 8.0, 
-InChI%3D1S%2FH4N2.H2O4S%2Fc1-2%3B1-5%282%2C3%294%2Fh1-2H2%3B%28H2%2C1%2C2%2C3%2C4%29, 0.0, 13.0, 5.0, 0.0, 5.0, 0.0, 0.0, -1.84879994392395, 0.689999997615814, -3.92799997329712, 23.7653999328613, 3.41806149482727, 0.0, 4.0, 5.0, 
-InChI%3D1S%2FC18H16N2O7S2.2Na%2Fc1-10-3-6-15%2811%282%297-10%2919-20-17-14-5-4-13%2828%2822%2C23%2924%298-12%2814%299-16%2818%2817%2921%2929%2825%2C26%2927%3B%3B%2Fh3-9%2C21H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb20-19%2B%3B%3B, 16.0, 45.0, 3.0, 4.0, 31.0, 17.0, 0.0, , 2.00999999046326, 4.11800003051758, , , 0.0, 1.0, 27.0, 
-InChI%3D1S%2FC6H12N2O%2Fc9-7-8-5-3-1-2-4-6-8%2Fh1-6H2, 0.0, 21.0, 2.0, 1.0, 9.0, 0.0, 0.0, -1.24259996414185, 1.78999996185303, 1.17599999904633, 29.7278995513916, 1.54405474662781, 0.0, 0.0, 3.0, 
-InChI%3D1S%2FC6H14%2Fc1-3-5-6-4-2%2Fh3-6H2%2C1-2H3, 0.0, 20.0, 6.0, 3.0, 5.0, 0.0, 0.0, -1.04939997196198, 2.11999988555908, 3.75399994850159, 23.4437999725342, 1.10124039649963, 6.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H8N2.ClH%2Fc7-8-6-4-2-1-3-5-6%3B%2Fh1-5%2C8H%2C7H2%3B1H, 6.0, 18.0, 2.0, 1.0, 8.0, 6.0, 0.0, -1.01590001583099, 1.78999996185303, 2.26500010490417, 8.58409976959229, 1.03205275535583, 0.0, 2.0, 8.0, 
-InChI%3D1S%2FC4H6O2%2Fc1-3-6-4%282%295%2Fh3H%2C1H2%2C2H3, 0.0, 12.0, 6.0, 2.0, 5.0, 0.0, 0.0, 0.10530000180006, 1.67999994754791, 0.694000005722046, 21.1049995422363, 0.0110880900174379, 2.0, 0.0, 5.0, 
-InChI%3D1S%2FC4H10N2O%2Fc1-2-3-6%285%294-7%2Fh4H%2C2-3%2C5H2%2C1H3, 0.0, 17.0, 7.0, 3.0, 6.0, 0.0, 0.0, -1.5242999792099, 1.57000005245209, -0.848999977111816, 27.6005001068115, 2.32349038124084, 3.0, 1.0, 4.0, 
-InChI%3D1S%2FC13H12Cl2N2.2ClH%2Fc14-10-6-8%281-3-12%2810%2916%295-9-2-4-13%2817%2911%2815%297-9%3B%3B%2Fh1-4%2C6-7H%2C5%2C16-17H2%3B2%2A1H, 12.0, 33.0, 0.0, 2.0, 18.0, 12.0, 0.0, 0.444999992847443, 2.23000001907349, 4.4850001335144, 24.2763996124268, 0.1980250030756, 0.0, 2.0, 7.0, 
-InChI%3D1S%2FC6H5N2O2.H3N%2Fc9-7-8%2810%296-4-2-1-3-5-6%3B%2Fh1-5H%3B1H3%2Fq-1%3B%2Fp%2B1, 6.0, 20.0, 4.0, 2.0, 10.0, 6.0, 0.0, -2.35179996490479, 1.57000005245209, 1.77799999713898, 8.65709972381592, 5.53096342086792, 0.0, 1.0, 10.0, 
-InChI%3D1S%2FC27H44O6%2Fc1-15%2820%2828%298-9-24%282%2C3%2932%2916-7-11-27%2833%2918-12-21%2829%2919-13-22%2830%2923%2831%2914-25%2819%2C4%2917%2818%296-10-26%2816%2C27%295%2Fh12%2C15-17%2C19-20%2C22-23%2C28%2C30-33H%2C6-11%2C13-14H2%2C1-5H3%2Ft15-%2C16%2B%2C17-%2C19-%2C20%2B%2C22%2B%2C23%3F%2C25%3F%2C26%2B%2C27%2B%2Fm0%2Fs1, 0.0, 77.0, 10.0, 5.0, 36.0, 0.0, 0.0, -0.759100019931793, 3.76999998092651, 1.95899999141693, 124.11319732666, 0.57623279094696, 7.0, 5.0, 4.0, 
-InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2, 0.0, 7.0, 4.0, 0.0, 3.0, 0.0, 0.0, 0.635500013828278, 1.67999994754791, 0.319999992847443, 16.2707004547119, 0.403860241174698, 3.0, 0.0, 4.0, 
-InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920%2921-11-12-3-5-13%286-4-12%2914-7-9-15%2818%2910-8-14%2Fh3-10H%2C11H2%2C1-2H3%2C%28H%2C19%2C20%29, 12.0, 38.0, 8.0, 5.0, 22.0, 12.0, 1.0, 0.956099987030029, 2.89000010490417, 5.21700000762939, 32.9342002868652, 0.914127230644226, 3.0, 1.0, 12.0, 
-InChI%3D1S%2FC2H5N5O3%2Fc1-6%285-8%292%283%294-7%289%2910%2Fh1H3%2C%28H2%2C3%2C4%29, 0.0, 15.0, 10.0, 4.0, 9.0, 0.0, 0.0, -0.0163000002503395, 0.800000011920929, 0.47299998998642, 25.9393005371094, 0.00026569000328891, 0.0, 2.0, 9.0, 
-InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H, 6.0, 13.0, 0.0, 0.0, 12.0, 6.0, 0.0, 3.26119995117188, 1.46000003814697, 2.31299996376038, 30.642599105835, 10.635425567627, 0.0, 1.0, 7.0, 
-InChI%3D1S%2FC11H9N3%2Fc12-10-6-5-8-7-3-1-2-4-9%287%2913-11%288%2914-10%2Fh1-6H%2C%28H3%2C12%2C13%2C14%29, 6.0, 24.0, 0.0, 0.0, 16.0, 10.0, 0.0, -0.379400014877319, 2.33999991416931, 2.64299988746643, 18.1131992340088, 0.143944352865219, 0.0, 3.0, 7.0, 
-InChI%3D1S%2FC19H30O5%2Fc1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18%2823-15-24-19%2912-16%2817%296-4-2%2Fh12-13H%2C3-11%2C14-15H2%2C1-2H3, 6.0, 54.0, 12.0, 13.0, 25.0, 6.0, 1.0, -1.3944000005722, 3.0, 3.76500010490417, 66.0001983642578, 1.94435131549835, 4.0, 0.0, 8.0, 
-InChI%3D1S%2FC6H15NO3%2Fc8-4-1-7%282-5-9%293-6-10%2Fh8-10H%2C1-6H2, 0.0, 25.0, 10.0, 6.0, 9.0, 0.0, 0.0, -1.29809999465942, 1.67999994754791, -2.06399989128113, 38.8650016784668, 1.68506360054016, 2.0, 3.0, 0.0, 
-InChI%3D1S%2FC9H4F3N3O4S%2Fc10-9%2811%2C12%297%2816%2914-8-13-4%283-20-8%295-1-2-6%2819-5%2915%2817%2918%2Fh1-3H%2C%28H%2C13%2C14%2C16%29, 10.0, 24.0, 7.0, 4.0, 21.0, 10.0, 0.0, 1.40639996528625, 1.24000000953674, 2.45199990272522, 27.209400177002, 1.97796094417572, 2.0, 1.0, 16.0, 
-InChI%3D1S%2FC26H34O6%2Fc1-25%282%2C23%2827%2928%2914-8-16-31-20-12-13-22%2821%2818-20%2919-10-6-5-7-11-19%2932-17-9-15-26%283%2C4%2924%2829%2930%2Fh5-7%2C10-13%2C18H%2C8-9%2C14-17H2%2C1-4H3%2C%28H%2C27%2C28%29%28H%2C29%2C30%29, 12.0, 66.0, 10.0, 13.0, 33.0, 12.0, 2.0, 0.612600028514862, 3.66000008583069, 6.42700004577637, 69.9046020507812, 0.375278770923615, 5.0, 2.0, 14.0, 
-InChI%3D1S%2FC10H12Cl2O2%2Fc11-7-13-5-9-1-2-10%284-3-9%296-14-8-12%2Fh1-4H%2C5-8H2, 6.0, 26.0, 4.0, 6.0, 14.0, 6.0, 0.0, 0.79339998960495, 2.11999988555908, 2.60800004005432, 33.3348007202148, 0.629483580589294, 0.0, 0.0, 6.0, 
-InChI%3D1S%2FC8H16N2O%2Fc1-3-4-5-6-7-9-10%282%298-11%2Fh7-8H%2C3-6H2%2C1-2H3%2Fb9-7%2B, 0.0, 27.0, 11.0, 6.0, 10.0, 0.0, 0.0, -1.41349995136261, 2.00999999046326, 2.51099991798401, 41.2243003845215, 1.99798226356506, 6.0, 0.0, 5.0, 
-InChI%3D1S%2FC2H3F%2Fc1-2-3%2Fh2H%2C1H2, 0.0, 6.0, 3.0, 0.0, 2.0, 0.0, 0.0, 0.543099999427795, 1.57000005245209, 1.08800005912781, 10.1890001296997, 0.294957607984543, 0.0, 0.0, 2.0, 
-InChI%3D1S%2FC9H8O4%2Fc10-7-3-1-6%285-8%287%2911%292-4-9%2812%2913%2Fh1-5%2C10-11H%2C%28H%2C12%2C13%29%2Fb4-2%2B, 6.0, 21.0, 5.0, 2.0, 13.0, 6.0, 0.0, -0.799300014972687, 2.00999999046326, 1.14100003242493, 22.5919990539551, 0.638880491256714, 3.0, 3.0, 13.0, 
-InChI%3D1S%2FC13H14Cl2O3%2Fc1-12%282%2C11%2816%2917%2918-9-5-3-8%284-6-9%2910-7-13%2810%2C14%2915%2Fh3-6%2C10H%2C7H2%2C1-2H3%2C%28H%2C16%2C17%29, 6.0, 32.0, 7.0, 4.0, 19.0, 6.0, 0.0, 1.23710000514984, 2.33999991416931, 3.59400010108948, 44.3660011291504, 1.53041636943817, 3.0, 1.0, 7.0, 
-InChI%3D1S%2FC2H8N2O%2Fc3-4-1-2-5%2Fh4-5H%2C1-3H2, 0.0, 13.0, 5.0, 2.0, 4.0, 0.0, 0.0, -1.45299994945526, 1.35000002384186, -1.49899995326996, 20.5730991363525, 2.11120891571045, 2.0, 3.0, 2.0, 
-InChI%3D1S%2FC4H8Cl2O2%2Fc5-3-7-1-2-8-4-6%2Fh1-4H2, 0.0, 16.0, 8.0, 5.0, 7.0, 0.0, 0.0, 0.79339998960495, 1.46000003814697, 0.643999993801117, 33.3348007202148, 0.629483580589294, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC7H9N.ClH%2Fc1-6-3-2-4-7%288%295-6%3B%2Fh2-5H%2C8H2%2C1H3%3B1H, 6.0, 19.0, 0.0, 0.0, 8.0, 6.0, 0.0, -0.107900001108646, 2.00999999046326, 2.81200003623962, 9.72420024871826, 0.0116424104198813, 0.0, 1.0, 7.0, 
-InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2, 0.0, 11.0, 6.0, 2.0, 5.0, 0.0, 0.0, 2.2056999206543, 1.46000003814697, 2.37899994850159, 29.6690998077393, 4.8651123046875, 3.0, 0.0, 0.0, 
-InChI%3D1S%2FCH4.ClH.Hg%2Fh1H4%3B1H%3B%2Fq%3B%3B%2B1%2Fp-1, 0.0, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.35000002384186, 1.25100004673004, , , 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC5H14N2.ClH%2Fc1-2-3-4-5-7-6%3B%2Fh7H%2C2-6H2%2C1H3%3B1H, 0.0, 23.0, 7.0, 4.0, 6.0, 0.0, 0.0, -1.81700003147125, 1.67999994754791, 1.64100003242493, 27.9298000335693, 3.30148911476135, 5.0, 2.0, 2.0, 
-InChI%3D1S%2FC6H6ClN.ClH%2Fc7-4-6-2-1-3-8-5-6%3B%2Fh1-3%2C5H%2C4H2%3B1H, 6.0, 16.0, 2.0, 1.0, 8.0, 6.0, 0.0, 0.755900025367737, 1.78999996185303, 2.3659999370575, 10.3277997970581, 0.571384787559509, 0.0, 0.0, 6.0, 
-InChI%3D1S%2FC43H58N4O12%2Fc1-21-12-11-13-22%282%2942%2855%2945-33-28%2820-44-47-17-15-46%289%2916-18-47%2937%2852%2930-31%2838%2833%2953%2936%2851%2926%286%2940-32%2830%2941%2854%2943%288%2C59-40%2957-19-14-29%2856-10%2923%283%2939%2858-27%287%2948%2925%285%2935%2850%2924%284%2934%2821%2949%2Fh11-14%2C19-21%2C23-25%2C29%2C34-35%2C39%2C49-53H%2C15-18H2%2C1-10H3%2C%28H%2C45%2C55%29%2Fb12-11%2B%2C19-14%2B%2C22-13%3F%2C44-20%2B%2Ft21%3F%2C23-%2C24-%2C25-%2C29%3F%2C34%2B%2C35-%2C39-%2C43%2B%2Fm1%2Fs1, 10.0, 117.0, 4.0, 5.0, 63.0, 11.0, 2.0, -0.573099970817566, 4.42999982833862, 2.12199997901917, 182.721694946289, 0.328443616628647, 0.0, 6.0, 26.0, 
-InChI%3D1S%2FC8H10N2O%2Fc1-7%2811%299-10-8-5-3-2-4-6-8%2Fh2-6%2C10H%2C1H3%2C%28H%2C9%2C11%29, 6.0, 21.0, 5.0, 2.0, 11.0, 6.0, 0.0, -0.49210000038147, 2.00999999046326, 3.51999998092651, 17.2007999420166, 0.24216240644455, 2.0, 2.0, 10.0, 
-InChI%3D1S%2FC10H14N2O2%2Fc1-3-14-10-5-4-8%286-9%2810%2911%2912-7%282%2913%2Fh4-6H%2C3%2C11H2%2C1-2H3%2C%28H%2C12%2C13%29, 6.0, 28.0, 4.0, 3.0, 14.0, 6.0, 0.0, -0.623000025749207, 2.11999988555908, 1.57799994945526, 29.7325000762939, 0.388128995895386, 2.0, 2.0, 11.0, 
-InChI%3D1S%2FC14H14ClN3O2S%2Fc1-8-4-3-5-10%289%288%292%2916-12-6-11%2815%2917-14%2818-12%2921-7-13%2819%2920%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C16%2C17%2C18%29, 6.0, 39.0, 5.0, 4.0, 22.0, 6.0, 0.0, 1.95510005950928, 2.23000001907349, 2.97399997711182, 59.7943992614746, 3.82241606712341, 2.0, 3.0, 9.0, 
-InChI%3D1S%2FC12H11N%2Fc13-12-8-6-11%287-9-12%2910-4-2-1-3-5-10%2Fh1-9H%2C13H2, 12.0, 24.0, 0.0, 1.0, 14.0, 12.0, 1.0, -0.749899983406067, 2.67000007629395, 5.20699977874756, 4.22209978103638, 0.562350034713745, 0.0, 1.0, 13.0, 
-InChI%3D1S%2FC7H6O3%2Fc8-5-1-2-6-7%283-5%2910-4-9-6%2Fh1-3%2C8H%2C4H2, 6.0, 16.0, 0.0, 0.0, 11.0, 6.0, 0.0, -0.763000011444092, 1.89999997615814, 0.871999979019165, 10.0367002487183, 0.582168996334076, 0.0, 1.0, 9.0, 
-InChI%3D1S%2FC10H9N%2Fc11-10-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7H%2C11H2, 10.0, 20.0, 0.0, 0.0, 12.0, 11.0, 0.0, -0.749899983406067, 2.45000004768372, 3.64199995994568, 4.22209978103638, 0.562350034713745, 0.0, 1.0, 11.0, 
-InChI%3D1S%2FC7H7NO3%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3, 6.0, 18.0, 2.0, 2.0, 11.0, 6.0, 0.0, -0.0983999967575073, 1.78999996185303, 2.23900008201599, 10.2016000747681, 0.00968256033957005, 0.0, 0.0, 10.0, 
-InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299, 6.0, 12.0, 0.0, 0.0, 12.0, 6.0, 0.0, 4.4657998085022, 1.46000003814697, 3.37199997901917, 33.6935997009277, 19.9433689117432, 0.0, 0.0, 6.0, 
-InChI%3D1S%2FC8H10N2O%2Fc1-6-2-4-7%285-3-6%2910-8%289%2911%2Fh2-5H%2C1H3%2C%28H3%2C9%2C10%2C11%29, 6.0, 21.0, 4.0, 2.0, 11.0, 6.0, 0.0, 0.567499995231628, 2.00999999046326, 3.09400010108948, 16.4796009063721, 0.322056263685226, 0.0, 3.0, 10.0, 
-InChI%3D1S%2FC3H10N2.ClH%2Fc1-2-3-5-4%3B%2Fh5H%2C2-4H2%2C1H3%3B1H, 0.0, 17.0, 5.0, 2.0, 4.0, 0.0, 0.0, -1.24100005626678, 1.46000003814697, 0.503000020980835, 22.1065998077393, 1.54008102416992, 3.0, 2.0, 2.0, 
-InChI%3D1S%2FC14H19Cl2NO2%2Fc15-8-10-17%2811-9-16%2913-6-4-12%285-7-13%292-1-3-14%2818%2919%2Fh4-7H%2C1-3%2C8-11H2%2C%28H%2C18%2C19%29, 6.0, 38.0, 7.0, 9.0, 19.0, 6.0, 0.0, 1.11759996414185, 2.45000004768372, 4.29199981689453, 52.5234985351562, 1.24902975559235, 4.0, 1.0, 7.0, 
-InChI%3D1S%2FC9H12N2O2%2Fc1-7%2813%2910-11-9-4-2-8%286-12%293-5-9%2Fh2-5%2C11-12H%2C6H2%2C1H3%2C%28H%2C10%2C13%29, 6.0, 25.0, 5.0, 3.0, 13.0, 6.0, 0.0, -0.94080001115799, 2.00999999046326, 2.28900003433228, 24.4776000976562, 0.885104656219482, 0.0, 3.0, 10.0, 
-InChI%3D1S%2FC8H12%2Fc1-2-8-6-4-3-5-7-8%2Fh2-4%2C8H%2C1%2C5-7H2, 0.0, 20.0, 2.0, 1.0, 8.0, 0.0, 0.0, 1.44280004501343, 2.33999991416931, 3.60500001907349, 37.0376014709473, 2.08167195320129, 2.0, 0.0, 2.0, 
-InChI%3D1S%2FC12H14O4%2Fc1-2-9%2813-5-11-7-15-11%294-10%283-1%2914-6-12-8-16-12%2Fh1-4%2C11-12H%2C5-8H2, 6.0, 30.0, 2.0, 6.0, 18.0, 6.0, 0.0, -0.670799970626831, 2.33999991416931, 1.182000041008, 32.1209983825684, 0.449972629547119, 0.0, 0.0, 8.0, 
-InChI%3D1S%2FC8H20N2%2Fc1-3-5-7-10%289%298-6-4-2%2Fh3-9H2%2C1-2H3, 0.0, 30.0, 10.0, 6.0, 9.0, 0.0, 0.0, -1.6085000038147, 2.11999988555908, 1.31500005722046, 41.0503005981445, 2.58727216720581, 4.0, 1.0, 2.0, 
-InChI%3D1S%2FC14H13N3O3%2Fc1-20-13-8-10%282-3-12%2813%2918%299-16-17-14%2819%2911-4-6-15-7-5-11%2Fh2-9%2C18H%2C1H3%2C%28H%2C17%2C19%29, 12.0, 33.0, 5.0, 5.0, 21.0, 12.0, 0.0, -1.18110001087189, 2.33999991416931, 2.31599998474121, 24.8729000091553, 1.39499723911285, 0.0, 2.0, 19.0, 
-InChI%3D1S%2FC9H15Br6O4P%2Fc10-1-7%2813%294-17-20%2816%2C18-5-8%2814%292-11%2919-6-9%2815%293-12%2Fh7-9H%2C1-6H2, 0.0, 35.0, 20.0, 12.0, 19.0, 0.0, 2.0, 5.15250015258789, 1.24000000953674, 5.55000019073486, 101.070198059082, 26.5482559204102, 3.0, 0.0, 5.0, 
-InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2, 6.0, 16.0, 2.0, 1.0, 8.0, 6.0, 0.0, 0.707499980926514, 2.33999991416931, 4.9539999961853, 10.1471996307373, 0.500556230545044, 2.0, 0.0, 8.0, 
-InChI%3D1S%2FCH4N2.H2O4S%2Fc1-3-2%3B1-5%282%2C3%294%2Fh3H%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29%2Fp-1, 0.0, 15.0, 5.0, 0.0, 6.0, 0.0, 0.0, -2.24920010566711, 0.800000011920929, -2.55399990081787, 25.2001991271973, 5.05890083312988, 0.0, 3.0, 5.0, 
-InChI%3D1S%2FC14H14N2.ClH%2Fc1-2-16-13-6-4-3-5-11%2813%2912-9-10%2815%297-8-14%2812%2916%3B%2Fh3-9H%2C2%2C15H2%2C1H3%3B1H, 12.0, 32.0, 2.0, 1.0, 18.0, 15.0, 0.0, -0.38400000333786, 2.67000007629395, 4.01100015640259, 17.1105995178223, 0.147456005215645, 2.0, 1.0, 14.0, 
-InChI%3D1S%2FC2H6N2O%2Fc1-4%283%292-5%2Fh2H%2C3H2%2C1H3, 0.0, 11.0, 5.0, 1.0, 4.0, 0.0, 0.0, -1.19690001010895, 1.35000002384186, -1.62999999523163, 19.7747001647949, 1.43256962299347, 0.0, 1.0, 4.0, 
-InChI%3D1S%2FC10H10O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh2%2C4-6H%2C1%2C3%2C7H2, 6.0, 22.0, 3.0, 2.0, 13.0, 6.0, 0.0, 0.726000010967255, 2.33999991416931, 2.9300000667572, 22.3738994598389, 0.527076005935669, 3.0, 0.0, 8.0, 
-InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2, 12.0, 25.0, 0.0, 2.0, 16.0, 12.0, 0.0, -0.159700006246567, 2.45000004768372, 3.75, 11.4568004608154, 0.0255040898919106, 0.0, 1.0, 14.0, 
-InChI%3D1S%2FC16H22N4O3%2Fc1-3-6-13-14%289-8-12%2811%282%2921%2916%2813%2922%2923-10-5-4-7-15-17-19-20-18-15%2Fh8-9%2C22H%2C3-7%2C10H2%2C1-2H3%2C%28H%2C17%2C18%2C19%2C20%29, 6.0, 44.0, 5.0, 9.0, 24.0, 11.0, 0.0, -1.89499998092651, 2.45000004768372, 3.54399991035461, 42.0768013000488, 3.59102511405945, 4.0, 5.0, 10.0, 
-InChI%3D1S%2FC2Cl2%2Fc3-1-2-4, 0.0, 4.0, 4.0, 0.0, 3.0, 0.0, 0.0, 0.971199989318848, 1.46000003814697, 1.98599994182587, 20.1837997436523, 0.94322943687439, 2.0, 0.0, 2.0, 
-InChI%3D1S%2FC5H11NO2S2.K%2Fc7-3-1-6%282-4-8%295%289%2910%3B%2Fh7-8H%2C1-4H2%2C%28H%2C9%2C10%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 21.0, 10.0, 5.0, 9.0, 0.0, 0.0, , 1.35000002384186, -1.04700005054474, , , 2.0, 2.0, 4.0, 
-InChI%3D1S%2FC18H27NO3%2Fc1-14%282%298-6-4-5-7-9-18%2821%2919-13-15-10-11-16%2820%2917%2812-15%2922-3%2Fh6%2C8%2C10-12%2C14%2C20H%2C4-5%2C7%2C9%2C13H2%2C1-3H3%2C%28H%2C19%2C21%29%2Fb8-6%2B, 6.0, 49.0, 13.0, 9.0, 22.0, 6.0, 0.0, -0.0511999987065792, 3.0, 4.65100002288818, 62.2928009033203, 0.00262143998406827, 9.0, 2.0, 8.0, 
-InChI%3D1S%2FC6H11Cl3O3%2Fc7-3-10-1-6%2812-5-9%292-11-4-8%2Fh6H%2C1-5H2, 0.0, 23.0, 12.0, 8.0, 11.0, 0.0, 0.0, 1.12810003757477, 1.46000003814697, 0.898000001907349, 48.6879005432129, 1.27260959148407, 3.0, 0.0, 0.0, 
-InChI%3D1S%2FC24H12O2%2Fc25-23-17-7-3-1-5-13%2817%2915-9-11-20-22-16%2810-12-19%2823%2921%2815%2922%2914-6-2-4-8-18%2814%2924%2820%2926%2Fh1-12H, 22.0, 38.0, 0.0, 0.0, 31.0, 23.0, 1.0, -0.527599990367889, 3.88000011444092, 7.50400018692017, 10.6920003890991, 0.278361767530441, 0.0, 0.0, 26.0, 
-InChI%3D1S%2FC18H22O5%2Fc1-12-6-5-9-14%2819%298-4-2-3-7-13-10-15%2820%2911-16%2821%2917%2813%2918%2822%2923-12%2Fh3%2C7%2C10-12%2C20-21H%2C2%2C4-6%2C8-9H2%2C1H3%2Fb7-3-%2Ft12-%2Fm0%2Fs1, 6.0, 45.0, 0.0, 0.0, 24.0, 6.0, 0.0, -1.34560000896454, 2.89000010490417, 2.63299989700317, 58.6670989990234, 1.81063938140869, 0.0, 2.0, 13.0, 
-InChI%3D1S%2FC14H16N2O2.2ClH%2Fc1-17-13-7-9%283-5-11%2813%2915%2910-4-6-12%2816%2914%288-10%2918-2%3B%3B%2Fh3-8H%2C15-16H2%2C1-2H3%3B2%2A1H, 12.0, 38.0, 2.0, 3.0, 19.0, 12.0, 0.0, -1.60339999198914, 2.33999991416931, 2.83599996566772, 23.0757999420166, 2.57089161872864, 0.0, 2.0, 16.0, 
-InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3, 6.0, 23.0, 0.0, 0.0, 10.0, 6.0, 0.0, 1.17610001564026, 2.33999991416931, 2.73499989509583, 20.7283992767334, 1.38321125507355, 0.0, 1.0, 7.0, 
-InChI%3D1S%2FC2H5N3O2%2Fc1-5%284-7%292%283%296%2Fh1H3%2C%28H2%2C3%2C6%29, 0.0, 12.0, 7.0, 2.0, 6.0, 0.0, 0.0, 0.425300002098083, 1.12999999523163, -0.149000003933907, 22.8313007354736, 0.180880084633827, 0.0, 2.0, 6.0, 
-InChI%3D1S%2FC15H15N3O2%2Fc1-10-3-8-15%2820%2914%289-10%2918-17-13-6-4-12%285-7-13%2916-11%282%2919%2Fh3-9%2C20H%2C1-2H3%2C%28H%2C16%2C19%29%2Fb18-17%2B, 12.0, 35.0, 4.0, 3.0, 21.0, 12.0, 0.0, 0.109999999403954, 2.55999994277954, 4.87099981307983, 21.9675006866455, 0.0120999999344349, 2.0, 2.0, 18.0, 
-InChI%3D1S%2FC11H11N5.ClH%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%3B%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29%3B1H%2Fb16-15%2B%3B, 6.0, 33.0, 2.0, 2.0, 17.0, 6.0, 0.0, -1.50999999046326, 2.00999999046326, 3.54699993133545, 26.8635005950928, 2.28010010719299, 0.0, 3.0, 8.0, 
-InChI%3D1S%2FH4N2%2Fc1-2%2Fh1-2H2, 0.0, 6.0, 1.0, 0.0, 1.0, 0.0, 0.0, -1.19099998474121, 1.24000000953674, -2.16400003433228, 10.5682001113892, 1.4184809923172, 0.0, 2.0, 2.0, 
-InChI%3D1S%2FC6H4ClNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H, 6.0, 14.0, 2.0, 1.0, 10.0, 6.0, 0.0, 0.697700023651123, 1.67999994754791, 2.77900004386902, 8.50139999389648, 0.486785292625427, 0.0, 0.0, 9.0, 
-InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296, 0.0, 6.0, 6.0, 0.0, 5.0, 0.0, 0.0, 1.28159999847412, 1.24000000953674, 1.182000041008, 12.4054002761841, 1.64249861240387, 2.0, 0.0, 2.0, 
-InChI%3D1S%2FC3H5ClO%2Fc1-3%284%292-5%2Fh2-3H%2C1H3, 0.0, 10.0, 5.0, 1.0, 4.0, 0.0, 0.0, 0.446099996566772, 1.57000005245209, 0.864000022411346, 21.1310005187988, 0.199005216360092, 3.0, 0.0, 1.0, 
-InChI%3D1S%2FH2O2%2Fc1-2%2Fh1-2H, 0.0, 4.0, 1.0, 0.0, 1.0, 0.0, 0.0, -0.92059999704361, 1.24000000953674, -1.0440000295639, 5.12919998168945, 0.847504377365112, 0.0, 2.0, 2.0, 
-InChI%3D1S%2FC25H30N3.ClH%2Fc1-26%282%2922-13-7-19%288-14-22%2925%2820-9-15-23%2816-10-20%2927%283%294%2921-11-17-24%2818-12-21%2928%285%296%3B%2Fh7-18H%2C1-6H3%3B1H%2Fq%2B1%3B%2Fp-1, 12.0, 59.0, 3.0, 4.0, 30.0, 12.0, 1.0, , 3.76999998092651, 6.02899980545044, , , 0.0, 0.0, 22.0, 
-InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, 6.0, 13.0, 0.0, 0.0, 10.0, 6.0, 0.0, 1.77260005474091, 1.67999994754791, 2.12100005149841, 19.4113998413086, 3.14211082458496, 0.0, 1.0, 7.0, 
-InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2, 6.0, 23.0, 4.0, 2.0, 14.0, 6.0, 0.0, -0.105899997055531, 2.23000001907349, 1.53299999237061, 23.5818004608154, 0.011214810423553, 3.0, 1.0, 8.0, 
-InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, 12.0, 27.0, 0.0, 2.0, 16.0, 12.0, 0.0, -0.909200012683868, 2.45000004768372, 2.95499992370605, 16.237699508667, 0.826644659042358, 0.0, 2.0, 7.0, 
-InChI%3D1S%2FC18H28O3S%2Fc1-3-4-5-6-7-8-11-22%2819%2915%282%2912-16-9-10-17-18%2813-16%2921-14-20-17%2Fh9-10%2C13%2C15H%2C3-8%2C11-12%2C14H2%2C1-2H3, 6.0, 50.0, 13.0, 10.0, 23.0, 6.0, 0.0, -2.42569994926453, 3.0, 4.74700021743774, 58.8797988891602, 5.88402032852173, 8.0, 0.0, 8.0, 
-InChI%3D1S%2FC9H13N.ClH%2Fc1-6-4-8%283%299%2810%295-7%286%292%3B%2Fh4-5H%2C10H2%2C1-3H3%3B1H, 6.0, 25.0, 0.0, 0.0, 10.0, 6.0, 0.0, 1.17610001564026, 2.23000001907349, 3.24699997901917, 20.7283992767334, 1.38321125507355, 0.0, 1.0, 7.0, 
-InChI%3D1S%2FC12H9NO%2Fc13-8-5-6-12-10%287-8%299-3-1-2-4-11%289%2914-12%2Fh1-7H%2C13H2, 12.0, 23.0, 0.0, 0.0, 16.0, 15.0, 0.0, -0.903999984264374, 2.55999994277954, 3.03299999237061, 5.84119987487793, 0.817215979099274, 0.0, 1.0, 14.0, 
-InChI%3D1S%2FC20H16%2Fc1-13-16-8-5-6-9-17%2816%2914%282%2920-18%2813%2912-11-15-7-3-4-10-19%2815%2920%2Fh3-12H%2C1-2H3, 18.0, 36.0, 0.0, 0.0, 23.0, 21.0, 1.0, 1.28400003910065, 3.66000008583069, 10.3360004425049, 11.0041999816895, 1.64865601062775, 0.0, 0.0, 18.0, 
-InChI%3D1S%2FC3H5Cl%2Fc1-2-3-4%2Fh2-3H%2C1H3, 0.0, 9.0, 4.0, 0.0, 3.0, 0.0, 0.0, 1.20179998874664, 1.67999994754791, 1.86199998855591, 20.6812992095947, 1.44432318210602, 3.0, 0.0, 2.0, 
-InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3, 0.0, 11.0, 5.0, 1.0, 4.0, 0.0, 0.0, 0.0908000022172928, 1.35000002384186, -0.275000005960464, 20.050500869751, 0.0082446401938796, 0.0, 0.0, 3.0, 
-InChI%3D1S%2FC7H8N2O2%2Fc1-5-2-3-6%289%2810%2911%294-7%285%298%2Fh2-4H%2C8H2%2C1H3, 6.0, 19.0, 3.0, 1.0, 11.0, 6.0, 0.0, -0.154499992728233, 1.78999996185303, 1.76499998569489, 12.6099996566772, 0.023870250210166, 0.0, 1.0, 10.0, 
-InChI%3D1S%2FC12H12N2O2.2ClH%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%3B%3B%2Fh1-6%2C15-16H%2C13-14H2%3B2%2A1H, 12.0, 32.0, 0.0, 1.0, 17.0, 12.0, 0.0, -2.4203999042511, 2.11999988555908, 2.65599989891052, 13.5733995437622, 5.85833597183228, 0.0, 4.0, 16.0, 
-InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295, 0.0, 5.0, 5.0, 0.0, 4.0, 0.0, 0.0, 3.58459997177124, 1.12999999523163, 2.86400008201599, 26.8490009307861, 12.8493576049805, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29, 0.0, 13.0, 6.0, 2.0, 5.0, 0.0, 0.0, 0.821900010108948, 1.46000003814697, 0.920000016689301, 19.8181991577148, 0.675519585609436, 2.0, 2.0, 4.0, 
-InChI%3D1S%2FC7H5Cl2NO2%2Fc8-3-1-4%287%2811%2912%296%289%295%2810%292-3%2Fh1-2H%2C10H2%2C%28H%2C11%2C12%29, 6.0, 17.0, 2.0, 1.0, 12.0, 6.0, 0.0, 0.49889999628067, 1.67999994754791, 1.19500005245209, 22.6725997924805, 0.248901203274727, 0.0, 2.0, 10.0, 
-InChI%3D1S%2FC7H9N.ClH%2Fc1-6-2-4-7%288%295-3-6%3B%2Fh2-5H%2C8H2%2C1H3%3B1H, 6.0, 19.0, 0.0, 0.0, 8.0, 6.0, 0.0, -0.107900001108646, 2.00999999046326, 2.81200003623962, 9.72420024871826, 0.0116424104198813, 0.0, 1.0, 7.0, 
-InChI%3D1S%2FC15H11NO2%2Fc1-8-6-7-11-12%2813%288%2916%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C16H2%2C1H3, 12.0, 29.0, 0.0, 0.0, 20.0, 12.0, 0.0, -0.635500013828278, 2.77999997138977, 2.73399996757507, 20.4162006378174, 0.403860241174698, 0.0, 1.0, 17.0, 
-InChI%3D1S%2FC7H5N3O2%2Fc11-10%2812%295-1-2-6-7%283-5%299-4-8-6%2Fh1-4H%2C%28H%2C8%2C9%29, 6.0, 16.0, 3.0, 1.0, 13.0, 10.0, 0.0, -0.0465999990701675, 1.67999994754791, 1.69200003147125, 2.88579988479614, 0.00217155995778739, 0.0, 2.0, 11.0, 
-InChI%3D1S%2FC12H15N3O5%2Fc13-9%2812%2819%2920%295-6-10%2816%2915-14-8-3-1-7%282-4-8%2911%2817%2918%2Fh1-4%2C9%2C14H%2C5-6%2C13H2%2C%28H%2C15%2C16%29%28H%2C17%2C18%29%28H%2C19%2C20%29%2Ft9-%2Fm0%2Fs1, 6.0, 35.0, 11.0, 7.0, 20.0, 6.0, 0.0, -2.14179992675781, 1.89999997615814, -0.72299998998642, 41.2206993103027, 4.58730745315552, 5.0, 5.0, 13.0, 
-InChI%3D1S%2FC14H19NO2.ClH%2Fc1-17-14%2816%2913%2811-7-3-2-4-8-11%2912-9-5-6-10-15-12%3B%2Fh2-4%2C7-8%2C12-13%2C15H%2C5-6%2C9-10H2%2C1H3%3B1H, 6.0, 38.0, 5.0, 4.0, 18.0, 6.0, 0.0, -1.45669996738434, 2.55999994277954, 4.72700023651123, 35.7549018859863, 2.12197494506836, 2.0, 1.0, 6.0, 
-InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H, 6.0, 12.0, 0.0, 0.0, 8.0, 6.0, 0.0, 1.48860001564026, 1.89999997615814, 2.98799991607666, 11.2312002182007, 2.21592998504639, 0.0, 0.0, 6.0, 
-InChI%3D1S%2FC7H8N2O2.ClH%2Fc8-9-6-3-1-5%282-4-6%297%2810%2911%3B%2Fh1-4%2C9H%2C8H2%2C%28H%2C10%2C11%29%3B1H, 6.0, 21.0, 2.0, 2.0, 11.0, 6.0, 0.0, -1.25569999217987, 1.67999994754791, 1.29100000858307, 15.8034000396729, 1.57678246498108, 0.0, 3.0, 11.0, 
-InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3, 0.0, 8.0, 3.0, 0.0, 2.0, 0.0, 0.0, 1.24150002002716, 1.57000005245209, 1.73599994182587, 18.589599609375, 1.54132223129272, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC9H8N4O2S%2Fc10-12-9-11-8%285-16-9%296-1-3-7%284-2-6%2913%2814%2915%2Fh1-5H%2C10H2%2C%28H%2C11%2C12%29, 11.0, 24.0, 2.0, 3.0, 17.0, 11.0, 0.0, -0.47189998626709, 1.67999994754791, 2.20499992370605, 19.2633991241455, 0.222689613699913, 0.0, 3.0, 16.0, 
-InChI%3D1S%2FC4H6%2Fc1-3-4-2%2Fh3-4H%2C1-2H2, 0.0, 10.0, 4.0, 1.0, 3.0, 0.0, 0.0, 1.41499996185303, 1.89999997615814, 1.9559999704361, 20.2943992614746, 2.00222492218018, 4.0, 0.0, 4.0, 
-InChI%3D1S%2FC6H6ClN.ClH%2Fc7-5-1-3-6%288%294-2-5%3B%2Fh1-4H%2C8H2%3B1H, 6.0, 16.0, 0.0, 0.0, 8.0, 6.0, 0.0, -0.00559999980032444, 1.78999996185303, 2.37400007247925, 9.83769989013672, 3.13599994115066e-05, 0.0, 1.0, 7.0, 
-InChI%3D1S%2FC12H2Cl6O2%2Fc13-3-1-5-11%289%2817%297%283%2915%2920-12-6%2819-5%292-4%2814%298%2816%2910%2812%2918%2Fh1-2H, 12.0, 22.0, 0.0, 0.0, 22.0, 12.0, 0.0, 4.15759992599487, 1.89999997615814, 4.35200023651123, 36.9318008422852, 17.2856369018555, 0.0, 0.0, 14.0, 
-InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3, 0.0, 24.0, 10.0, 5.0, 9.0, 0.0, 0.0, 1.23570001125336, 2.11999988555908, 2.18600010871887, 39.9681015014648, 1.52695453166962, 4.0, 0.0, 3.0, 
-InChI%3D1S%2F2C2H4O2.4H2O.3Pb%2Fc2%2A1-2%283%294%3B%3B%3B%3B%3B%3B%3B%2Fh2%2A1H3%2C%28H%2C3%2C4%29%3B4%2A1H2%3B%3B%3B%2Fq%3B%3B%3B%3B%3B%3B3%2A%2B2%2Fp-6, 0.0, 25.0, 4.0, 0.0, 6.0, 0.0, 0.0, , 0.689999997615814, -2.99000000953674, , , 0.0, 0.0, 3.0, 
-InChI%3D1S%2FC8H8O%2Fc1-2-4-7%285-3-1%298-6-9-8%2Fh1-5%2C8H%2C6H2, 6.0, 17.0, 0.0, 1.0, 10.0, 6.0, 0.0, -0.192900002002716, 2.23000001907349, 2.75500011444092, 9.72920036315918, 0.0372104085981846, 0.0, 0.0, 6.0, 
-InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H, 0.0, 10.0, 7.0, 1.0, 6.0, 0.0, 0.0, 0.899800002574921, 1.12999999523163, 0.801999986171722, 29.2457008361816, 0.809640049934387, 2.0, 2.0, 0.0, 
-InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298, 0.0, 8.0, 8.0, 1.0, 7.0, 0.0, 0.0, 3.37639999389648, 1.01999998092651, 3.88199996948242, 41.8779983520508, 11.4000768661499, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC15H13NO2%2Fc1-10%2817%2916%2818%2913-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9%2C18H%2C8H2%2C1H3, 12.0, 31.0, 5.0, 2.0, 20.0, 12.0, 0.0, -0.629000008106232, 2.77999997138977, 4.67600011825562, 20.0314998626709, 0.395640999078751, 2.0, 1.0, 16.0, 
-InChI%3D1S%2FC9H11NO2%2Fc1-2-12-8-6-4-3-5-7%288%299%2810%2911%2Fh3-6H%2C2H2%2C1H3%2C%28H2%2C10%2C11%29, 6.0, 23.0, 3.0, 3.0, 12.0, 6.0, 0.0, 0.116999998688698, 2.11999988555908, 2.62899994850159, 20.0860004425049, 0.013689000159502, 2.0, 2.0, 10.0, 
-InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H, 6.0, 11.0, 0.0, 0.0, 6.0, 6.0, 0.0, 0.0, 1.89999997615814, 1.39999997615814, 0.0, 0.0, 0.0, 0.0, 6.0, 
-InChI%3D1S%2FCH6N2%2Fc1-3-2%2Fh3H%2C2H2%2C1H3, 0.0, 9.0, 3.0, 0.0, 2.0, 0.0, 0.0, -0.913600027561188, 1.35000002384186, -0.790000021457672, 14.2807998657227, 0.834664940834045, 0.0, 2.0, 2.0, 
-InChI%3D1S%2FC7H10N2OS%2Fc1-2-3-5-4-6%2810%299-7%2811%298-5%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C8%2C9%2C10%2C11%29, 6.0, 21.0, 3.0, 2.0, 11.0, 6.0, 0.0, 0.0696000009775162, 1.78999996185303, 1.85300004482269, 24.5182991027832, 0.00484415981918573, 3.0, 1.0, 7.0, 
-InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6-%2Fm1%2Fs1, 0.0, 24.0, 12.0, 5.0, 11.0, 0.0, 0.0, -0.241999998688698, 1.46000003814697, -0.272000014781952, 50.472599029541, 0.0585639998316765, 6.0, 4.0, 0.0, 
-InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3, 0.0, 29.0, 11.0, 7.0, 10.0, 0.0, 0.0, -1.13999998569489, 2.00999999046326, 2.42499995231628, 41.5252990722656, 1.29960000514984, 4.0, 0.0, 3.0, 
-InChI%3D1S%2FC12H19N3O.ClH%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%3B%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29%3B1H, 6.0, 37.0, 6.0, 6.0, 16.0, 6.0, 0.0, -1.30949997901917, 2.23000001907349, 3.28099989891052, 39.6456985473633, 1.71479022502899, 0.0, 3.0, 9.0, 
-InChI%3D1S%2FC9H8O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-4H%2C5-6H2, 6.0, 19.0, 0.0, 0.0, 12.0, 6.0, 0.0, 0.00609999988228083, 2.23000001907349, 2.45099997520447, 15.7062997817993, 3.72100003005471e-05, 0.0, 0.0, 9.0, 
-InChI%3D1S%2FC5H8%2Fc1-4-5%282%293%2Fh4H%2C1-2H2%2C3H3, 0.0, 13.0, 5.0, 1.0, 4.0, 0.0, 0.0, 1.8614000082016, 2.00999999046326, 2.34800004959106, 24.5764007568359, 3.46480989456177, 4.0, 0.0, 4.0, 
-InChI%3D1S%2FC2H5BrO%2Fc3-1-2-4%2Fh4H%2C1-2H2, 0.0, 9.0, 4.0, 1.0, 3.0, 0.0, 0.0, 0.451700001955032, 1.46000003814697, 0.603999972343445, 20.5881004333496, 0.204032883048058, 2.0, 1.0, 0.0, 
-InChI%3D1S%2FC12H4Br6%2Fc13-7-3-11%2817%299%2815%291-5%287%296-2-10%2816%2912%2818%294-8%286%2914%2Fh1-4H, 12.0, 22.0, 0.0, 1.0, 19.0, 12.0, 1.0, 5.33279991149902, 2.11999988555908, 7.36399984359741, 51.5946006774902, 28.4387550354004, 0.0, 0.0, 12.0, 
-InChI%3D1S%2FC6H12N2%2Fc1-3-5-8%287%296-4-2%2Fh3-4H%2C1-2%2C5-7H2, 0.0, 20.0, 8.0, 4.0, 7.0, 0.0, 0.0, 0.85589998960495, 1.89999997615814, -0.155000001192093, 37.9009017944336, 0.732564806938171, 3.0, 1.0, 2.0, 
-InChI%3D1S%2FC24H36O5%2Fc1-5-15%283%2924%2827%2929-21-11-14%282%2910-17-7-6-16%284%2920%2823%2817%2921%299-8-19-12-18%2825%2913-22%2826%2928-19%2Fh6-7%2C10%2C14-16%2C18-21%2C23%2C25H%2C5%2C8-9%2C11-13H2%2C1-4H3%2Ft14-%2C15-%2C16-%2C18%2B%2C19%2B%2C20-%2C21%3F%2C23-%2Fm0%2Fs1, 0.0, 65.0, 7.0, 7.0, 31.0, 0.0, 0.0, -0.099200002849102, 3.54999995231628, 4.57399988174438, 105.645500183105, 0.00984064023941755, 4.0, 1.0, 4.0, 
-InChI%3D1S%2FC6H5N2.H2O4S%2Fc7-8-6-4-2-1-3-5-6%3B1-5%282%2C3%294%2Fh1-5H%3B%28H2%2C1%2C2%2C3%2C4%29%2Fq%2B1%3B%2Fp-1, 6.0, 19.0, 5.0, 0.0, 12.0, 6.0, 0.0, -2.77950000762939, 1.35000002384186, 0.75, 10.9194002151489, 7.72562026977539, 0.0, 1.0, 8.0, 
-InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2, 0.0, 23.0, 2.0, 3.0, 13.0, 0.0, 0.0, -0.761099994182587, 1.57000005245209, 0.759999990463257, 50.7221984863281, 0.579273223876953, 0.0, 0.0, 5.0, 
-InChI%3D1S%2FC14H7Br2NO2%2Fc15-8-5-9%2816%2912%2817%2911-10%288%2913%2818%296-3-1-2-4-7%286%2914%2811%2919%2Fh1-5H%2C17H2, 12.0, 26.0, 0.0, 0.0, 21.0, 12.0, 0.0, 0.500100016593933, 2.45000004768372, 3.49000000953674, 32.1123008728027, 0.250100016593933, 0.0, 1.0, 17.0, 
-InChI%3D1S%2FH2SSe%2Fc1-2%2Fh2H2, 0.0, 2.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.875800013542175, 1.24000000953674, -0.148000001907349, 9.43379974365234, 0.767025649547577, 0.0, 0.0, 1.0, 
-InChI%3D1S%2FC39H59Cl2NO2%2Fc1-27%282%297-6-8-28%283%2934-15-16-35-33-14-11-30-26-32%2817-19-38%2830%2C4%2936%2833%2918-20-39%2834%2C35%295%2944-37%2843%2925-29-9-12-31%2813-10-29%2942%2823-21-40%2924-22-41%2Fh9-13%2C27-28%2C32-36H%2C6-8%2C14-26H2%2C1-5H3%2Ft28-%2C32%2B%2C33%3F%2C34-%2C35%2B%2C36%2B%2C38%3F%2C39%3F%2Fm1%2Fs1, 6.0, 103.0, 8.0, 14.0, 48.0, 6.0, 2.0, 3.50699996948242, 5.19999980926514, 14.4919996261597, 156.428894042969, 12.2990493774414, 7.0, 0.0, 7.0, 
-InChI%3D1S%2FC7H10N2O.H2O4S%2Fc1-10-7-3-2-5%288%294-6%287%299%3B1-5%282%2C3%294%2Fh2-4H%2C8-9H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29, 6.0, 27.0, 5.0, 1.0, 14.0, 6.0, , -2.20939993858337, 1.35000002384186, , 28.9571990966797, 4.88144826889038, 0.0, 4.0, 9.0, 
-InChI%3D1S%2FC2H3ClO%2Fc3-1-2-4%2Fh2H%2C1H2, 0.0, 7.0, 4.0, 1.0, 3.0, 0.0, 0.0, 0.350100010633469, 1.46000003814697, 0.570999979972839, 16.4715003967285, 0.122570008039474, 2.0, 0.0, 1.0, 
-InChI%3D1S%2FC9H8Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-2%2C5-6H%2C3-4H2, 0.0, 24.0, 5.0, 2.0, 17.0, 0.0, 0.0, 3.23449993133545, 1.67999994754791, 2.26799988746643, 68.1818008422852, 10.4619903564453, 0.0, 0.0, 5.0, 
-InChI%3D1S%2FC10H6Cl8%2Fc11-3-1-2-4%285%283%2912%299%2816%297%2814%296%2813%298%282%2C15%2910%289%2C17%2918%2Fh2-5H%2C1H2, 0.0, 24.0, 0.0, 0.0, 20.0, 0.0, 0.0, 4.24259996414185, 1.67999994754791, 4.35500001907349, 78.1775970458984, 17.9996547698975, 0.0, 0.0, 2.0, 
-InChI%3D1S%2FC28H48O2%2Fc1-20%282%2911-8-12-21%283%2913-9-14-22%284%2915-10-17-28%287%2918-16-25-24%286%2926%2829%2919-23%285%2927%2825%2930-28%2Fh19-22%2C29H%2C8-18H2%2C1-7H3, 6.0, 78.0, 16.0, 12.0, 31.0, 6.0, 2.0, 2.65149998664856, 4.32000017166138, 10.826000213623, 99.3246002197266, 7.03045225143433, 13.0, 1.0, 8.0, 
-InChI%3D1S%2FC14H8O4%2Fc15-9-5-1-3-7-11%289%2914%2818%2912-8%2813%287%2917%294-2-6-10%2812%2916%2Fh1-6%2C15-16H, 12.0, 26.0, 0.0, 0.0, 20.0, 12.0, 0.0, -1.4481999874115, 2.55999994277954, 1.30400002002716, 15.8212003707886, 2.09728312492371, 0.0, 2.0, 18.0, 
-InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3, 0.0, 15.0, 5.0, 0.0, 4.0, 0.0, 0.0, 0.573300004005432, 1.78999996185303, 0.800999999046326, 22.0650997161865, 0.328672885894775, 3.0, 1.0, 0.0, 
-InChI%3D1S%2FC17H22N2%2Fc1-18%282%2916-9-5-14%286-10-16%2913-15-7-11-17%2812-8-15%2919%283%294%2Fh5-12H%2C13H2%2C1-4H3, 12.0, 41.0, 3.0, 4.0, 20.0, 12.0, 0.0, 0.891799986362457, 3.10999989509583, 4.94899988174438, 33.1837997436523, 0.795307219028473, 0.0, 0.0, 7.0, 
-InChI%3D1S%2FC15H16N4O%2Fc1-3-19-15-13%2810%282%2918-19%2917-12%2820%299-16-14%2815%2911-7-5-4-6-8-11%2Fh4-8H%2C3%2C9H2%2C1-2H3%2C%28H%2C17%2C20%29, 6.0, 36.0, 2.0, 2.0, 22.0, 11.0, 0.0, 0.416399985551834, 2.55999994277954, 2.91000008583069, 38.2625007629395, 0.173388957977295, 2.0, 2.0, 8.0, 
-InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918, 0.0, 22.0, 0.0, 0.0, 26.0, 0.0, 1.0, 5.84999990463257, 1.24000000953674, 6.35799980163574, 92.3588027954102, 34.2224998474121, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC12H12N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29, 6.0, 29.0, 2.0, 2.0, 18.0, 6.0, 0.0, -1.12360000610352, 2.23000001907349, 3.76099991798401, 34.4664001464844, 1.26247692108154, 2.0, 2.0, 8.0, 
-InChI%3D1S%2FC24H34O9%2Fc1-12%282%297-18%2827%2932-16-9-23%2810-29-14%284%2925%2917%288-13%2816%293%2933-21-19%2828%2920%2831-15%285%2926%2922%2823%2C6%2924%2821%2911-30-24%2Fh8%2C12%2C16-17%2C19-21%2C28H%2C7%2C9-11H2%2C1-6H3%2Ft16-%2C17%2B%2C19%2B%2C20%2B%2C21%2B%2C22%2B%2C23%3F%2C24-%2Fm0%2Fs1, 0.0, 67.0, 7.0, 9.0, 36.0, 0.0, 0.0, -0.0489999987185001, 3.10999989509583, 1.69200003147125, 113.26969909668, 0.00240099988877773, 4.0, 1.0, 3.0, 
-InChI%3D1S%2FC11H17F3N6O%2Fc12-11%2813%2C14%297-17-10%2816%2918-9-4-6-20%2819-9%295-2-1-3-8%2815%2921%2Fh4%2C6H%2C1-3%2C5%2C7H2%2C%28H2%2C15%2C21%29%28H3%2C16%2C17%2C18%2C19%29, 0.0, 40.0, 9.0, 9.0, 21.0, 0.0, 0.0, -0.522899985313416, 1.57000005245209, 1.34500002861023, 64.0654983520508, 0.273424416780472, 5.0, 5.0, 7.0, 
-InChI%3D1S%2FC16H14Cl2O3%2Fc1-2-21-15%2819%2916%2820%2C11-3-7-13%2817%298-4-11%2912-5-9-14%2818%2910-6-12%2Fh3-10%2C20H%2C2H2%2C1H3, 12.0, 35.0, 7.0, 5.0, 22.0, 12.0, 0.0, 1.00499999523163, 2.67000007629395, 4.15899991989136, 32.3810005187988, 1.01002502441406, 2.0, 1.0, 6.0, 
-InChI%3D1S%2FC22H18%2Fc1-3-7-19-15%285-1%299-11-17-14-22-18%2813-21%2817%2919%2912-10-16-6-2-4-8-20%2816%2922%2Fh1%2C3%2C5%2C7%2C9-14H%2C2%2C4%2C6%2C8H2, 22.0, 36.0, 0.0, 0.0, 26.0, 26.0, 1.0, 0.0, 3.88000011444092, 11.5659999847412, 0.0, 0.0, 0.0, 0.0, 22.0, 
-InChI%3D1S%2FC24H51O4P%2Fc1-7-13-16-22%2810-4%2919-26-29%2825%2C27-20-23%2811-5%2917-14-8-2%2928-21-24%2812-6%2918-15-9-3%2Fh22-24H%2C7-21H2%2C1-6H3, 0.0, 80.0, 29.0, 21.0, 28.0, 0.0, 2.0, -2.49959993362427, 3.54999995231628, 9.37199974060059, 108.505699157715, 6.2480001449585, 7.0, 0.0, 5.0, 
-InChI%3D1S%2FC2HCl3O2%2Fc3-2%284%2C5%291%286%297%2Fh%28H%2C6%2C7%29, 0.0, 8.0, 7.0, 1.0, 6.0, 0.0, 0.0, 1.44840002059937, 1.12999999523163, 1.02999997138977, 28.1583003997803, 2.09786248207092, 2.0, 1.0, 3.0, 
-InChI%3D1S%2FC6H4Cl3N%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2H%2C10H2, 6.0, 14.0, 0.0, 0.0, 10.0, 6.0, 0.0, 1.48300004005432, 1.67999994754791, 2.05399990081787, 21.0688991546631, 2.19928908348083, 0.0, 1.0, 7.0, 
-InChI%3D1S%2FC2H6O3S%2Fc1-5-6%282%2C3%294%2Fh1-2H3, 0.0, 12.0, 6.0, 1.0, 5.0, 0.0, 0.0, -0.188199996948242, 1.24000000953674, -0.869000017642975, 21.3852005004883, 0.0354192405939102, 0.0, 0.0, 4.0, 
-InChI%3D1S%2FC3H9O4P%2Fc1-5-8%284%2C6-2%297-3%2Fh1-3H3, 0.0, 17.0, 8.0, 3.0, 7.0, 0.0, 0.0, 0.208199992775917, 1.24000000953674, -0.689999997615814, 28.0988006591797, 0.0433472394943237, 0.0, 0.0, 5.0, 
-InChI%3D1S%2FC8H20N2.2ClH%2Fc1-3-5-7-9-10-8-6-4-2%3B%3B%2Fh9-10H%2C3-8H2%2C1-2H3%3B2%2A1H, 0.0, 34.0, 10.0, 7.0, 9.0, 0.0, 0.0, -1.86699998378754, 1.89999997615814, 4.30800008773804, 39.4682006835938, 3.48568892478943, 4.0, 2.0, 2.0, 
-InChI%3D1S%2FC6H6O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4%2C7-8H, 6.0, 14.0, 0.0, 0.0, 8.0, 6.0, 0.0, -0.92059999704361, 1.89999997615814, 0.870000004768372, 5.12919998168945, 0.847504377365112, 0.0, 2.0, 8.0, 
-InChI%3D1S%2FC14H9Cl5%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13H, 12.0, 28.0, 5.0, 3.0, 20.0, 12.0, 1.0, 3.14249992370605, 2.45000004768372, 7.01999998092651, 35.7430992126465, 9.87530612945557, 2.0, 0.0, 6.0, 
-InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H, 5.0, 11.0, 2.0, 1.0, 7.0, 5.0, 0.0, -0.346500009298325, 1.78999996185303, 1.057000041008, 7.91300010681152, 0.120062246918678, 0.0, 0.0, 7.0, 
-InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29, 6.0, 12.0, 0.0, 0.0, 8.0, 6.0, 0.0, -0.92059999704361, 1.46000003814697, -0.462000012397766, 5.12919998168945, 0.847504377365112, 0.0, 2.0, 8.0, 
-InChI%3D1S%2FC15H24O%2Fc1-10-8-11%2814%282%2C3%294%2913%2816%2912%289-10%2915%285%2C6%297%2Fh8-9%2C16H%2C1-7H3, 6.0, 40.0, 3.0, 2.0, 16.0, 6.0, 1.0, 3.29410004615784, 3.0, 5.95699977874756, 46.3203010559082, 10.851095199585, 0.0, 1.0, 7.0, 
-InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H, 6.0, 14.0, 0.0, 0.0, 8.0, 6.0, 0.0, -0.92059999704361, 1.89999997615814, 1.29900002479553, 5.12919998168945, 0.847504377365112, 0.0, 2.0, 8.0, 
-InChI%3D1S%2FC12H12N2.2ClH%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%3B%3B%2Fh1-8H%2C13-14H2%3B2%2A1H, 12.0, 30.0, 0.0, 1.0, 15.0, 12.0, 0.0, -1.49979996681213, 2.33999991416931, 4.14599990844727, 8.44419956207275, 2.24940013885498, 0.0, 2.0, 14.0, 
-InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3, 6.0, 24.0, 3.0, 2.0, 13.0, 6.0, 0.0, -0.476999998092651, 2.33999991416931, 3.2960000038147, 21.1478004455566, 0.227529004216194, 3.0, 0.0, 8.0, 
-InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, 6.0, 20.0, 4.0, 1.0, 11.0, 6.0, 0.0, -0.532000005245209, 2.00999999046326, 1.66600000858307, 16.4654006958008, 0.28302401304245, 0.0, 2.0, 10.0, 
-InChI%3D1S%2FC4H4N2OS%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29, 6.0, 12.0, 0.0, 0.0, 8.0, 6.0, 0.0, 0.0507000014185905, 1.46000003814697, 0.428999990224838, 11.256199836731, 0.00257048988714814, 0.0, 1.0, 7.0, 
-InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3, 0.0, 27.0, 9.0, 5.0, 8.0, 0.0, 0.0, -1.26059997081757, 2.23000001907349, 2.85500001907349, 35.0635986328125, 1.58911240100861, 7.0, 1.0, 0.0, 
-InChI%3D1S%2FC12H11N7%2Fc13-9-7%286-4-2-1-3-5-6%2916-8-10%2814%2918-12%2815%2919-11%288%2917-9%2Fh1-5H%2C%28H6%2C13%2C14%2C15%2C17%2C18%2C19%29, 6.0, 36.0, 0.0, 1.0, 21.0, 6.0, 1.0, -2.05949997901917, 2.00999999046326, 1.93400001525879, 40.4961013793945, 4.24154043197632, 0.0, 7.0, 6.0, 
-InChI%3D1S%2FC10H10N2%2Fc11-9-5-1-3-7-8%289%294-2-6-10%287%2912%2Fh1-6H%2C11-12H2, 10.0, 22.0, 0.0, 0.0, 13.0, 11.0, 0.0, -1.49979996681213, 2.33999991416931, 1.76800000667572, 8.44419956207275, 2.24940013885498, 0.0, 2.0, 12.0, 
-InChI%3D1S%2FC18H14N4O5S%2Fc23-16-9-6-13%2811-15%2816%2918%2824%2925%2921-20-12-4-7-14%288-5-12%2928%2826%2C27%2922-17-3-1-2-10-19-17%2Fh1-11%2C23H%2C%28H%2C19%2C22%29%28H%2C24%2C25%29, 18.0, 42.0, 4.0, 6.0, 30.0, 18.0, 0.0, -1.63660001754761, 2.33999991416931, 4.29099988937378, 20.925500869751, 2.67845964431763, 0.0, 3.0, 28.0, 
-InChI%3D1S%2FC6H14O2%2Fc1-2-3-5-8-6-4-7%2Fh7H%2C2-6H2%2C1H3, 0.0, 22.0, 8.0, 5.0, 7.0, 0.0, 0.0, -1.10430002212524, 1.89999997615814, 0.66100001335144, 30.042200088501, 1.21947848796844, 4.0, 1.0, 0.0, 
-InChI%3D1S%2FC12H13NO4S2%2Fc1-2-18%2814%2C15%2911-7-8-12%2819%2813%2C16%2917%2910-6-4-3-5-9%2810%2911%2Fh3-8H%2C2H2%2C1H3%2C%28H2%2C13%2C16%2C17%29, 10.0, 32.0, 5.0, 3.0, 20.0, 11.0, 0.0, -1.00899994373322, 2.00999999046326, 1.83800005912781, 29.7737007141113, 1.01808094978333, 2.0, 1.0, 17.0, 
-InChI%3D1S%2FC5H6O2%2Fc6-4-5-2-1-3-7-5%2Fh1-3%2C6H%2C4H2, 5.0, 13.0, 2.0, 1.0, 7.0, 5.0, 0.0, -0.602800011634827, 1.78999996185303, 0.382999986410141, 8.89589977264404, 0.363367825746536, 0.0, 1.0, 5.0, 
-InChI%3D1S%2FC7H14N2O%2Fc1-7%282%294-5-8-9%283%296-10%2Fh5-7H%2C4H2%2C1-3H3%2Fb8-5%2B, 0.0, 24.0, 10.0, 4.0, 9.0, 0.0, 0.0, -0.0278999991714954, 1.89999997615814, 1.88100004196167, 40.8586006164551, 0.000778410001657903, 4.0, 0.0, 5.0, 
-InChI%3D1S%2FC16H15NO2%2Fc17-15-11-5-4-10-14%2815%2916%2818%2919-12-6-9-13-7-2-1-3-8-13%2Fh1-11H%2C12%2C17H2%2Fb9-6%2B, 12.0, 34.0, 6.0, 5.0, 20.0, 12.0, 1.0, -0.361600011587143, 2.89000010490417, 6.27099990844727, 25.5445995330811, 0.130754560232162, 3.0, 1.0, 10.0, 
-InChI%3D1S%2FC6H9NO6%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29, 0.0, 22.0, 13.0, 6.0, 12.0, 0.0, 0.0, -1.31159996986389, 1.35000002384186, -1.79100000858307, 38.2419013977051, 1.72029459476471, 2.0, 3.0, 3.0, 
-InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3%2C5-8H%2C1%2C4H2%2C2H3, 6.0, 23.0, 3.0, 3.0, 11.0, 6.0, 0.0, 0.976899981498718, 2.45000004768372, 3.65799999237061, 22.2175998687744, 0.954333603382111, 3.0, 0.0, 7.0, 
-InChI%3D1S%2FC24H29ClO4%2Fc1-12%2826%2924%2829-13%282%2927%298-6-16-14-10-20%2825%2919-11-21%2828%2915-9-18%2815%2923%2819%2C4%2917%2814%295-7-22%2816%2C24%293%2Fh10-11%2C14-18H%2C5-9H2%2C1-4H3%2Ft14%3F%2C15%3F%2C16-%2C17-%2C18-%2C22-%2C23-%2C24-%2Fm0%2Fs1, 0.0, 58.0, 4.0, 3.0, 33.0, 0.0, 0.0, 1.27230000495911, 3.54999995231628, 3.28200006484985, 111.438301086426, 1.61874723434448, 2.0, 0.0, 6.0, 
-InChI%3D1S%2FC6H8N2O.2ClH%2Fc7-4-1-2-6%289%295%288%293-4%3B%3B%2Fh1-3%2C9H%2C7-8H2%3B2%2A1H, 6.0, 21.0, 0.0, 0.0, 9.0, 6.0, 0.0, -1.96010005474091, 1.57000005245209, 1.22599995136261, 11.0087995529175, 3.84199190139771, 0.0, 3.0, 9.0, 
-InChI%3D1S%2FC2H2Cl2%2Fc1-2%283%294%2Fh1H2, 0.0, 6.0, 4.0, 0.0, 3.0, 0.0, 0.0, 1.68799996376038, 1.46000003814697, 1.93299996852875, 20.460599899292, 2.84934401512146, 0.0, 0.0, 2.0, 
-InChI%3D1S%2FC24H31Cl2N5O7%2Fc1-2-14-21%2835%2930-16%2810-32%2922%2836%2929-15%2812-6-4-3-5-7-12%298-18%2834%2927-17%2811-33%2924%2838%2931-9-13%2825%2919%2826%2920%2831%2923%2837%2928-14%2Fh3-7%2C13-17%2C19-20%2C32-33H%2C2%2C8-11H2%2C1H3%2C%28H%2C27%2C34%29%28H%2C28%2C37%29%28H%2C29%2C36%29%28H%2C30%2C35%29, 6.0, 69.0, 2.0, 4.0, 40.0, 6.0, 2.0, -1.45200002193451, 2.55999994277954, 1.83000004291534, 108.595100402832, 2.10830402374268, 0.0, 6.0, 6.0, 
-InChI%3D1S%2FC15H23ClO4S%2Fc1-12%2820-21%2817%2919-10-9-16%2911-18-14-7-5-13%286-8-14%2915%282%2C3%294%2Fh5-8%2C12H%2C9-11H2%2C1-4H3, 6.0, 44.0, 11.0, 9.0, 21.0, 6.0, 0.0, 1.7257000207901, 2.45000004768372, 3.91400003433228, 61.6603012084961, 2.97804045677185, 3.0, 0.0, 7.0, 
-InChI%3D1S%2FC8H10N2S%2Fc1-2-7-5-6%288%289%2911%293-4-10-7%2Fh3-5H%2C2H2%2C1H3%2C%28H2%2C9%2C11%29, 6.0, 21.0, 2.0, 2.0, 11.0, 6.0, 0.0, 0.308999985456467, 2.00999999046326, 2.31500005722046, 23.7005004882812, 0.0954810008406639, 2.0, 1.0, 8.0, 
-InChI%3D1S%2FC11H14N6O5%2Fc1-16%2815-21%299-6-10%2813-3-12-9%2917%284-14-6%2911-8%2820%297%2819%295%282-18%2922-11%2Fh3-5%2C7-8%2C11%2C18-20H%2C2H2%2C1H3%2Ft5%3F%2C7-%2C8-%2C11%3F%2Fm1%2Fs1, 6.0, 36.0, 4.0, 4.0, 24.0, 10.0, 0.0, -1.54069995880127, 1.46000003814697, -1.51800000667572, 44.6481018066406, 2.37375640869141, 0.0, 4.0, 11.0, 
-InChI%3D1S%2FC10H9Cl4O4P%2Fc1-16-19%2815%2C17-2%2918-10%285-11%296-3-8%2813%299%2814%294-7%286%2912%2Fh3-5H%2C1-2H3, 6.0, 28.0, 10.0, 5.0, 19.0, 6.0, 0.0, 2.65429997444153, 1.57000005245209, 3.46000003814697, 53.5253982543945, 7.0453085899353, 2.0, 0.0, 13.0, 
-InChI%3D1S%2FC6H7ClN2%2Fc7-5-2-1-4%288%293-6%285%299%2Fh1-3H%2C8-9H2, 6.0, 16.0, 0.0, 0.0, 9.0, 6.0, 0.0, -0.755500018596649, 1.78999996185303, 0.832000017166138, 14.0598001480103, 0.570780277252197, 0.0, 2.0, 8.0, 
-InChI%3D1S%2FC17H13N3O3%2Fc1-11-6-8-14%2815%2810-11%2920%2822%2923%2918-19-17-13-5-3-2-4-12%2813%297-9-16%2817%2921%2Fh2-10%2C21H%2C1H3%2Fb19-18%2B, 16.0, 36.0, 2.0, 3.0, 25.0, 17.0, 1.0, 0.13510000705719, 2.67000007629395, 6.59000015258789, 10.9525003433228, 0.0182520095258951, 0.0, 1.0, 22.0, 
-InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2, 0.0, 14.0, 0.0, 0.0, 6.0, 0.0, 0.0, -0.261799991130829, 1.67999994754791, -0.379999995231628, 22.0869998931885, 0.0685392394661903, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H, 6.0, 14.0, 3.0, 1.0, 9.0, 6.0, 0.0, -0.0465999990701675, 1.78999996185303, 2.89400005340576, 2.88579988479614, 0.00217155995778739, 0.0, 0.0, 9.0, 
-InChI%3D1S%2FC11H14N2O4%2Fc12-10%2814%2916-6-9%287-17-11%2813%2915%298-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2%2C%28H2%2C12%2C14%29%28H2%2C13%2C15%29, 6.0, 31.0, 11.0, 7.0, 17.0, 6.0, 0.0, 0.655499994754791, 2.00999999046326, 4.34600019454956, 31.8826007843018, 0.42968025803566, 3.0, 4.0, 6.0, 
-InChI%3D1S%2FC5H10Br2O2%2Fc6-1-5%282-7%2C3-8%294-9%2Fh8-9H%2C1-4H2, 0.0, 19.0, 9.0, 4.0, 8.0, 0.0, 0.0, 0.533599972724915, 1.57000005245209, 1.20200002193451, 43.7966995239258, 0.284728974103928, 3.0, 2.0, 0.0, 
-InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29, 0.0, 12.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.351799994707108, 1.46000003814697, 0.122000001370907, 26.6289005279541, 0.123763240873814, 0.0, 1.0, 3.0, 
-InChI%3D1S%2FC8H11N.ClH%2Fc1-6-3-4-8%289%297%282%295-6%3B%2Fh3-5H%2C9H2%2C1-2H3%3B1H, 6.0, 22.0, 0.0, 0.0, 9.0, 6.0, 0.0, 0.534099996089935, 2.11999988555908, 2.92400002479553, 15.226300239563, 0.285262823104858, 0.0, 1.0, 7.0, 
-InChI%3D1S%2FC11H8N2O5%2Fc12-11%2814%298%289-2-1-5-17-9%296-7-3-4-10%2818-7%2913%2815%2916%2Fh1-6H%2C%28H2%2C12%2C14%29, 10.0, 26.0, 5.0, 4.0, 19.0, 10.0, 0.0, -0.164199993014336, 1.89999997615814, 2.62199997901917, 23.6989002227783, 0.0269616395235062, 3.0, 2.0, 18.0, 
-InChI%3D1S%2FC11H16O2%2Fc1-11%282%2C3%299-7-8%2813-4%295-6-10%289%2912%2Fh5-7%2C12H%2C1-4H3, 6.0, 29.0, 3.0, 2.0, 13.0, 6.0, 0.0, 1.04410004615784, 2.45000004768372, 3.18400001525879, 29.0072002410889, 1.09014475345612, 0.0, 1.0, 8.0, 
-InChI%3D1S%2FC12H8Cl6O%2Fc13-8-9%2814%2911%2816%295-3-1-2%286-7%283%2919-6%294%285%2910%288%2C15%2912%2811%2C17%2918%2Fh2-7H%2C1H2, 0.0, 27.0, 0.0, 0.0, 23.0, 0.0, 0.0, 2.33809995651245, 2.00999999046326, 3.00500011444092, 76.1249008178711, 5.46671152114868, 0.0, 0.0, 2.0, 
-InChI%3D1S%2FC14H9Cl5O%2Fc15-11-5-1-9%282-6-11%2913%2820%2C14%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C20H, 12.0, 29.0, 6.0, 3.0, 21.0, 12.0, 1.0, 2.43160009384155, 2.33999991416931, 6.1100001335144, 37.0377998352051, 5.91267871856689, 2.0, 1.0, 6.0, 
-InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2%2Fb2-1%2B, 0.0, 9.0, 5.0, 1.0, 4.0, 0.0, 0.0, 1.51820003986359, 1.57000005245209, 2.09899997711182, 25.2765998840332, 2.30493116378784, 3.0, 0.0, 2.0, 
-InChI%3D1S%2FC5H12N2O%2Fc1-2-3-4-7%286%295-8%2Fh5H%2C2-4%2C6H2%2C1H3, 0.0, 20.0, 8.0, 4.0, 7.0, 0.0, 0.0, -1.81229996681213, 1.67999994754791, -0.280000001192093, 30.5121002197266, 3.28443121910095, 4.0, 1.0, 4.0, 
-InChI%3D1S%2FC12H14N2O2%2Fc1-2-12%289-6-4-3-5-7-9%2910%2815%2913-8-14-11%2812%2916%2Fh3-7H%2C2%2C8H2%2C1H3%2C%28H%2C13%2C15%29%28H%2C14%2C16%29, 6.0, 30.0, 2.0, 2.0, 17.0, 6.0, 0.0, -1.25660002231598, 2.33999991416931, 3.51799988746643, 32.5567016601562, 1.57904350757599, 2.0, 2.0, 6.0, 
-InChI%3D1S%2FC18H20O2%2Fc1-3-17%2813-5-9-15%2819%2910-6-13%2918%284-2%2914-7-11-16%2820%2912-8-14%2Fh5-12%2C19-20H%2C3-4H2%2C1-2H3, 12.0, 40.0, 6.0, 4.0, 21.0, 12.0, 1.0, -0.230199992656708, 3.22000002861023, 5.66200017929077, 33.7085990905762, 0.0529920384287834, 6.0, 2.0, 16.0, 
-InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2, 0.0, 10.0, 5.0, 1.0, 4.0, 0.0, 0.0, 1.78369998931885, 1.78999996185303, 1.68900001049042, 25.0105991363525, 3.18158578872681, 4.0, 0.0, 4.0, 
-InChI%3D1S%2FC24H38O4%2Fc1-5-9-13-19%287-3%2917-27-23%2825%2921-15-11-12-16-22%2821%2924%2826%2928-18-20%288-4%2914-10-6-2%2Fh11-12%2C15-16%2C19-20H%2C5-10%2C13-14%2C17-18H2%2C1-4H3, 6.0, 66.0, 11.0, 16.0, 28.0, 6.0, 2.0, -1.78279995918274, 3.66000008583069, 9.04199981689453, 77.5813980102539, 3.17837572097778, 7.0, 0.0, 12.0, 
-InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3, 6.0, 18.0, 2.0, 1.0, 8.0, 6.0, 0.0, 0.30689999461174, 2.33999991416931, 4.9539999961853, 10.3505001068115, 0.0941876098513603, 2.0, 0.0, 6.0, 
-InChI%3D1S%2FC7H9N3O%2Fc8-7%2811%2910-9-6-4-2-1-3-5-6%2Fh1-5%2C9H%2C%28H3%2C8%2C10%2C11%29, 6.0, 20.0, 5.0, 3.0, 11.0, 6.0, 0.0, -0.494899988174438, 1.78999996185303, 3.25300002098083, 14.2775001525879, 0.244926005601883, 0.0, 4.0, 11.0, 
-InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh1%2C3H2%2C2H3, 0.0, 12.0, 5.0, 1.0, 4.0, 0.0, 0.0, 1.90980005264282, 1.78999996185303, 1.24100005626678, 24.7569999694824, 3.64733600616455, 3.0, 0.0, 2.0, 
-InChI%3D1S%2FC6Cl5NO2%2Fc7-1-2%288%294%2810%296%2812%2813%2914%295%2811%293%281%299, 6.0, 14.0, 2.0, 1.0, 14.0, 6.0, 0.0, 3.67490005493164, 1.24000000953674, 3.16300010681152, 30.9638004302979, 13.5048904418945, 0.0, 0.0, 9.0, 
-InChI%3D1S%2FC12H13N3O%2Fc13-8-1-3-9%284-2-8%2916-10-5-6-11%2814%2912%2815%297-10%2Fh1-7H%2C13-15H2, 12.0, 29.0, 0.0, 2.0, 17.0, 12.0, 0.0, -2.40380001068115, 2.33999991416931, 1.59399998188019, 14.285400390625, 5.77825450897217, 0.0, 3.0, 16.0, 
-InChI%3D1S%2FC12H11Cl2NO%2Fc1-4-12%282%2C3%2915-11%2816%298-5-9%2813%297-10%2814%296-8%2Fh1%2C5-7H%2C2-3H3%2C%28H%2C15%2C16%29, 6.0, 27.0, 8.0, 2.0, 16.0, 6.0, 0.0, 2.76600003242493, 2.33999991416931, 3.50300002098083, 41.2397994995117, 7.65075588226318, 4.0, 1.0, 9.0, 
-InChI%3D1S%2FC15H13NO%2Fc1-10%2817%2916-13-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9H%2C8H2%2C1H3%2C%28H%2C16%2C17%29, 12.0, 30.0, 4.0, 1.0, 19.0, 12.0, 1.0, 0.384499996900558, 2.89000010490417, 5.80700016021729, 18.5018005371094, 0.147840246558189, 2.0, 1.0, 15.0, 
-InChI%3D1S%2FC17H22N2O.C4H6O4%2Fc1-17%2820-14-13-19%282%293%2C15-9-5-4-6-10-15%2916-11-7-8-12-18-16%3B5-3%286%291-2-4%287%298%2Fh4-12H%2C13-14H2%2C1-3H3%3B1-2H2%2C%28H%2C5%2C6%29%28H%2C7%2C8%29, 12.0, 56.0, 8.0, 9.0, 28.0, 12.0, 0.0, -0.168500006198883, 3.0, 3.78900003433228, 56.907398223877, 0.0283922497183084, 4.0, 2.0, 6.0, 
-InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3, 0.0, 21.0, 2.0, 2.0, 10.0, 0.0, 0.0, 0.757499992847443, 1.67999994754791, 0.722000002861023, 45.0453987121582, 0.57380622625351, 0.0, 1.0, 0.0, 
-InChI%3D1S%2FC12H11ClN2O5S%2Fc13-9-5-10%2815-6-7-2-1-3-20-7%298%2812%2816%2917%294-11%289%2921%2814%2C18%2919%2Fh1-5%2C15H%2C6H2%2C%28H%2C16%2C17%29%28H2%2C14%2C18%2C19%29, 11.0, 32.0, 3.0, 5.0, 22.0, 11.0, 0.0, -0.994899988174438, 1.78999996185303, 0.88400000333786, 33.6077995300293, 0.989826023578644, 0.0, 3.0, 14.0, 
-InChI%3D1S%2FC8H12N4O5%2Fc9-7-10-2-12%288%2816%2911-7%296-5%2815%294%2814%293%281-13%2917-6%2Fh2-6%2C13-15H%2C1H2%2C%28H2%2C9%2C11%2C16%29%2Ft3%3F%2C4-%2C5-%2C6%3F%2Fm1%2Fs1, 0.0, 33.0, 2.0, 2.0, 18.0, 0.0, 1.0, -1.73510003089905, 1.35000002384186, -1.72200000286102, 51.6804008483887, 3.01057195663452, 0.0, 7.0, 4.0, 
-InChI%3D1S%2FC11H10N4%2Fc1-15-9-5-4-8-7%283-2-6-13-8%2910%289%2914-11%2815%2912%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29, 10.0, 25.0, 0.0, 0.0, 17.0, 11.0, 0.0, -0.36719998717308, 2.23000001907349, 2.85199999809265, 16.8964004516602, 0.134835839271545, 0.0, 2.0, 14.0, 
-InChI%3D1S%2FC32H24N6O16S4.2Cu.4Na%2Fc33-19-11-17%2855%2843%2C44%2945%295-15-9-25%2857%2849%2C50%2951%2929%2831%2841%2927%2815%2919%2937-35-21-3-1-13%287-23%2821%2939%2914-2-4-22%2824%2840%298-14%2936-38-30-26%2858%2852%2C53%2954%2910-16-6-18%2856%2846%2C47%2948%2912-20%2834%2928%2816%2932%2830%2942%3B%3B%3B%3B%3B%3B%2Fh1-12%2C39-42H%2C33-34H2%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29%3B%3B%3B%3B%3B%3B%2Fq%3B2%2A%2B2%3B4%2A%2B1%2Fp-8%2Fb37-35-%2C38-36-%3B%3B%3B%3B%3B%3B, 32.0, 80.0, 3.0, 9.0, 63.0, 34.0, 1.0, , 1.46000003814697, -0.448000013828278, , , 0.0, 2.0, 58.0, 
-InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29, 0.0, 11.0, 0.0, 0.0, 6.0, 5.0, 0.0, 0.0513000003993511, 1.67999994754791, 0.535000026226044, 5.89870023727417, 0.00263168988749385, 0.0, 2.0, 0.0, 
-InChI%3D1S%2FC16H11N3O6.K%2Fc1-18-8-12%2816%2821%2922%2914%2820%2911-6-3-9%2817-15%2811%2918%292-4-10-5-7-13%2825-10%2919%2823%2924%3B%2Fh2-8H%2C1H3%2C%28H%2C21%2C22%29%3B%2Fq%3B%2B1%2Fp-1%2Fb4-2%2B%3B, 11.0, 38.0, 3.0, 4.0, 27.0, 11.0, 0.0, , 2.11999988555908, 1.25999999046326, , , 2.0, 0.0, 19.0, 
-InChI%3D1S%2FC4H8Cl2O%2Fc5-1-3-7-4-2-6%2Fh1-4H2, 0.0, 15.0, 7.0, 4.0, 6.0, 0.0, 0.0, 1.38090002536774, 1.57000005245209, 1.54999995231628, 31.6991004943848, 1.90688478946686, 2.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H4F4N2.2ClH%2Fc7-1-2%288%295%2811%294%2810%296%2812%293%281%299%3B%3B%2Fh11-12H2%3B2%2A1H, 6.0, 20.0, 0.0, 0.0, 12.0, 6.0, 0.0, 0.418999999761581, 1.24000000953674, 1.59599995613098, 11.9342002868652, 0.175560995936394, 0.0, 2.0, 8.0, 
-InChI%3D1S%2FC8H11N.ClH%2Fc1-6-3-4-7%282%298%289%295-6%3B%2Fh3-5H%2C9H2%2C1-2H3%3B1H, 6.0, 22.0, 0.0, 0.0, 9.0, 6.0, 0.0, 0.534099996089935, 2.11999988555908, 2.92400002479553, 15.226300239563, 0.285262823104858, 0.0, 1.0, 7.0, 
-InChI%3D1S%2FC9H13N.ClH%2Fc1-6-4-7%282%299%2810%298%283%295-6%3B%2Fh4-5H%2C10H2%2C1-3H3%3B1H, 6.0, 25.0, 0.0, 0.0, 10.0, 6.0, 0.0, 1.17610001564026, 2.23000001907349, 3.03600001335144, 20.7283992767334, 1.38321125507355, 0.0, 1.0, 7.0, 
-InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H, 0.0, 18.0, 0.0, 0.0, 12.0, 0.0, 0.0, 4.16340017318726, 1.46000003814697, 3.83400011062622, 54.0810012817383, 17.3339004516602, 0.0, 0.0, 0.0, 
-InChI%3D1S%2FC6H11N2O4PS3%2Fc1-10-5-7-8%286%289%2916-5%294-15-13%2814%2C11-2%2912-3%2Fh4H2%2C1-3H3, 0.0, 29.0, 8.0, 6.0, 16.0, 0.0, 0.0, 2.28909993171692, 1.01999998092651, 1.46399998664856, 70.3099975585938, 5.2399787902832, 0.0, 1.0, 4.0, 
\ No newline at end of file
diff --git a/5x_cv/MOU_electronic_cpsa.csv b/5x_cv/MOU_electronic_cpsa.csv
deleted file mode 100644
index 9577420..0000000
--- a/5x_cv/MOU_electronic_cpsa.csv
+++ /dev/null
@@ -1,428 +0,0 @@
-SMILES,FNSA-2,FPSA-2,PNSA-1,PPSA-1,TPSA,FNSA-3,FPSA-3,DPSA-1,PNSA-2,PPSA-2,WNSA-1,DPSA-2,PNSA-3,PPSA-3,THSA,RNCG,WNSA-2,DPSA-3,bpol,WNSA-3,RPSA,RNCS,RPCG,apol,WPSA-1,nHBAcc,RHSA,RPCS,WPSA-2,WPSA-3,nHBDon,FNSA-1,FPSA-1
-InChI%3D1S%2FC7H7Cl%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6H2, -0.253521978855133, 0.241595938801765, 181.89323425293, 173.336715698242, 0.0, -0.0520450882613659, 0.0296228229999542, -8.55652046203613, -90.0586013793945, 85.8221130371094, 64.6139297485352, 175.880706787109, -18.4879741668701, 10.5229139328003, 355.229949951172, 0.339970588684082, -31.991512298584, 29.0108890533447, 8.07244873046875, -6.56748247146606, 0.0, 23.7761974334717, 0.149595350027084, 19.1675510406494, 61.5743980407715, 0.0, 1.0, 0.45163893699646, 30.4865856170654, 3.7380542755127, 0.0, 0.512043654918671, 0.487956374883652
-InChI%3D1S%2FC8H5N3O4S%2Fc12-4-9-8-10-5%283-16-8%296-1-2-7%2815-6%2911%2813%2914%2Fh1-4H%2C%28H%2C9%2C10%2C12%29, , , , , , , , , , , , , , , , , , , 13.5580348968506, , , , , 26.821964263916, , 3.0, , , , , 1.0, , 
-InChI%3D1S%2FC17H21N3.ClH%2Fc1-19%282%2915-9-5-13%286-10-15%2917%2818%2914-7-11-16%2812-8-14%2920%283%294%3B%2Fh5-12%2C18H%2C1-4H3%3B1H, , , , , , , , , , , , , , , , , , , 28.4305534362793, , , , , 50.0694465637207, , 3.0, , , , , 1.0, , 
-InChI%3D1S%2FC6H13NO3S.Na%2Fc8-11%289%2C10%297-6-4-2-1-3-5-6%3B%2Fh6-7H%2C1-5H2%2C%28H%2C8%2C9%2C10%29%3B%2Fq%3B%2B1%2Fp-1, , , , , , , , , , , , , , , , , , , 21.2124843597412, , , , , 48.5675163269043, , 4.0, , , , , 1.0, , 
-InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3, -0.103861831128597, 0.178851336240768, 127.629852294922, 219.780166625977, 0.0, -0.0357677228748798, 0.0223738569766283, 92.1503067016602, -36.0826416015625, 62.1347465515137, 44.3398895263672, 98.2173919677734, -12.4260654449463, 7.77290153503418, 347.410003662109, 0.491586685180664, -12.5354709625244, 20.1989669799805, 8.07244873046875, -4.31693935394287, 0.0, 35.2691802978516, 0.290856301784515, 13.8875513076782, 76.3538284301758, 0.0, 1.0, 7.43165969848633, 21.5862331390381, 2.70038390159607, 0.0, 0.367375284433365, 0.632624745368958
-InChI%3D1S%2FC3H6ClNO%2Fc1-5%282%293%284%296%2Fh1-2H3, -0.264047026634216, 0.301949977874756, 142.452728271484, 162.901260375977, 49.5462036132812, -0.0513228662312031, 0.0277345236390829, 20.4485454559326, -80.627815246582, 92.2016296386719, 43.4985046386719, 172.829437255859, -15.6716413497925, 8.46884727478027, 255.80778503418, 0.448252946138382, -24.620023727417, 24.1404895782471, 9.9172420501709, -4.78539800643921, 0.162258252501488, 18.4081897735596, 0.578370928764343, 13.3627576828003, 49.7425498962402, 2.0, 0.837741732597351, 4.00157690048218, 28.1541347503662, 2.58599638938904, 0.0, 0.466516643762589, 0.533483326435089
-InChI%3D1S%2FC8H6N4O5%2Fc13-6-4-11%288%2814%2910-6%299-3-5-1-2-7%2817-5%2912%2815%2916%2Fh1-3H%2C4H2%2C%28H%2C10%2C13%2C14%29%2Fb9-3%2B, -0.86152172088623, 0.778894007205963, 229.787796020508, 207.749069213867, 124.173492431641, -0.0936994850635529, 0.0538956969976425, -22.0387306213379, -376.947509765625, 340.794830322266, 100.540634155273, 717.742370605469, -40.9969787597656, 23.581356048584, 313.363372802734, 0.211434304714203, -164.928436279297, 64.5783309936523, 13.9892416000366, -17.9376888275146, 0.283801198005676, 7.41837596893311, 0.209901332855225, 26.490758895874, 90.8978805541992, 5.0, 0.716198801994324, 0.752526998519897, 149.110305786133, 10.3177127838135, 1.0, 0.525184988975525, 0.474815011024475
-InChI%3D1S%2FC6H12Cl2O%2Fc1-5%283-7%299-6%282%294-8%2Fh5-6H%2C3-4H2%2C1-2H3, -0.306642353534698, 0.480107188224792, 137.170196533203, 214.766143798828, 7.31906843185425, -0.0666153207421303, 0.0244504306465387, 77.5959548950195, -107.918586730957, 168.967163085938, 48.2751731872559, 276.8857421875, -23.4443511962891, 8.60499477386475, 344.617279052734, 0.471962869167328, -37.9804725646973, 32.0493469238281, 15.8744840621948, -8.25091934204102, 0.0207965690642595, 3.45432829856873, 0.0953378081321716, 23.7235164642334, 75.5840072631836, 1.0, 0.979203402996063, 0.197884202003479, 59.4656867980957, 3.0284104347229, 0.0, 0.3897585272789, 0.6102414727211
-InChI%3D1S%2FC23H41Cl7%2Fc1-3-4-18%2825%297-8-20%2827%2911-12-22%2829%2915-16-23%2830%2914-13-21%2828%2910-9-19%2826%296-5-17%282%2924%2Fh17-23H%2C3-16H2%2C1-2H3, -0.727261304855347, 1.0080817937851, 344.518341064453, 477.548645019531, 0.0, -0.0687160789966583, 0.0181747786700726, 133.030319213867, -597.857543945312, 828.710754394531, 283.217163085938, 1426.56823730469, -56.4892234802246, 14.9408864974976, 822.067016601562, 0.0980040282011032, -491.478942871094, 71.4301071166992, 47.7614860534668, -46.4379272460938, 0.0, 5.48124074935913, 0.0347440913319588, 83.0785140991211, 392.576995849609, 0.0, 1.0, 0.0, 681.255737304688, 12.2824096679688, 0.0, 0.419087916612625, 0.580912113189697
-InChI%3D1S%2FC18H23NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C14-15%2C20%2C23H%2C2%2C5-10H2%2C1H3%2Ft14-%2C15%3F%2C18-%2Fm1%2Fs1, -0.716542601585388, 1.83033883571625, 169.654891967773, 433.367004394531, 131.61491394043, -0.0612692721188068, 0.0402325801551342, 263.712097167969, -432.090881347656, 1103.734375, 102.305610656738, 1535.82531738281, -36.9467124938965, 24.2611255645752, 471.406982421875, 0.153866082429886, -260.560272216797, 61.207836151123, 32.8717613220215, -22.2796764373779, 0.218258932232857, 4.77630519866943, 0.11800279468298, 52.9282379150391, 261.329772949219, 7.0, 0.781741082668304, 0.0, 665.575988769531, 14.6299896240234, 2.0, 0.281341165304184, 0.718658804893494
-InChI%3D1S%2FC10H12N2O4%2Fc1-3-16-10-5-4-8%2811-7%282%2913%296-9%2810%2912%2814%2915%2Fh4-6H%2C3H2%2C1-2H3%2C%28H%2C11%2C13%29, -0.477586686611176, 0.801122188568115, 196.139099121094, 329.01123046875, 63.7163925170898, -0.0561237037181854, 0.0291200969368219, 132.872146606445, -250.804824829102, 420.709594726562, 103.002517700195, 671.514404296875, -29.4733829498291, 15.2924289703369, 461.433959960938, 0.272296249866486, -131.710235595703, 44.765811920166, 17.6104831695557, -15.4779567718506, 0.121329806745052, 8.76279735565186, 0.17135551571846, 31.0095157623291, 172.780364990234, 2.0, 0.878670215606689, 2.13418388366699, 220.935791015625, 8.03082466125488, 1.0, 0.37349134683609, 0.62650865316391
-InChI%3D1S%2FC4H12N2.ClH%2Fc1-2-3-4-6-5%3B%2Fh6H%2C2-5H2%2C1H3%3B1H, , , , , , , , , , , , , , , , , , , 13.3116912841797, , , , , 20.0883083343506, , 2.0, , , , , 2.0, , 
-InChI%3D1S%2FC4H8N2O%2Fc7-5-6-3-1-2-4-6%2Fh1-4H2, -0.0958849042654037, 0.271148979663849, 82.5886840820312, 233.549133300781, 0.0, -0.0281396694481373, 0.0254232008010149, 150.96044921875, -30.3128452301025, 85.7204437255859, 26.1094055175781, 116.03328704834, -8.8960132598877, 8.03723526000977, 316.137817382812, 0.443878471851349, -9.58303642272949, 16.9332485198975, 10.3636560440063, -2.8123664855957, 0.0, 4.44492197036743, 0.122495785355568, 15.3763437271118, 73.8337173461914, 1.0, 1.0, 2.75592517852783, 27.0994758605957, 2.54087424278259, 0.0, 0.261242657899857, 0.738757371902466
-InChI%3D1S%2FC11H10N4%2Fc1-7-3-2-6-15-10%287%2913-8-4-5-9%2812%2914-11%288%2915%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29, -0.216988533735275, 1.09088277816772, 72.5069122314453, 364.519439697266, 45.2094802856445, -0.0327368304133415, 0.0439853258430958, 292.012542724609, -94.8297119140625, 476.744567871094, 31.6874313354492, 571.574279785156, -14.3068571090698, 19.2227458953857, 391.81689453125, 0.225942447781563, -41.4430847167969, 33.5296020507812, 25.1641407012939, -6.25247383117676, 0.103447951376438, 0.512400686740875, 0.143753379583359, 37.0958595275879, 159.304611206055, 4.0, 0.89655202627182, 3.07835555076599, 208.349945068359, 8.40084648132324, 3.0, 0.165909692645073, 0.834090292453766
-InChI%3D1S%2FC7H16O2%2Fc1-6%288%295-9-7%282%2C3%294%2Fh6%2C8H%2C5H2%2C1-4H3, -0.137457653880119, 0.771156251430511, 54.9333419799805, 308.183563232422, 45.9534912109375, -0.0366283096373081, 0.0326316207647324, 253.250228881836, -49.9131965637207, 280.019866943359, 19.9472255706787, 329.933074951172, -13.3003578186035, 11.8490924835205, 317.163421630859, 0.429684996604919, -18.124324798584, 25.149450302124, 19.4073123931885, -4.82958459854126, 0.126552879810333, 12.7386560440063, 0.23135744035244, 24.5926876068115, 111.906661987305, 2.0, 0.873447120189667, 3.21928524971008, 101.679946899414, 4.30260610580444, 1.0, 0.151282802224159, 0.848717212677002
-InChI%3D1S%2FC3H8N2O%2Fc1-2-5%284%293-6%2Fh3H%2C2%2C4H2%2C1H3, -0.233061596751213, 0.550203680992126, 91.9470901489258, 217.065460205078, 76.2481918334961, -0.0611630491912365, 0.0516515895724297, 125.118377685547, -72.0189590454102, 170.019836425781, 28.4128036499023, 242.038787841797, -18.9001502990723, 15.9609899520874, 232.764358520508, 0.361595064401627, -22.2547626495361, 34.861141204834, 9.70365619659424, -5.84038352966309, 0.246747866272926, 15.5702991485596, 0.258777588605881, 13.6163444519043, 67.0759506225586, 3.0, 0.753252148628235, 3.70288395881653, 52.5382614135742, 4.9321460723877, 1.0, 0.297551304101944, 0.702448725700378
-InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2, -0.883908689022064, 0.549083709716797, 316.720794677734, 196.746826171875, 73.9585723876953, -0.09075578302145, 0.0213978551328182, -119.973968505859, -453.858459472656, 281.936676025391, 162.625869750977, 735.795166015625, -46.600154876709, 10.9871053695679, 439.509033203125, 0.194431900978088, -233.041625976562, 57.5872611999512, 17.6948623657227, -23.9276695251465, 0.144037470221519, 4.73984336853027, 0.188113421201706, 37.9251365661621, 101.023124694824, 3.0, 0.855962514877319, 0.0, 144.765365600586, 5.6415228843689, 0.0, 0.616827189922333, 0.383172810077667
-InChI%3D1S%2FC10H9N%2Fc11-10-6-5-8-3-1-2-4-9%288%297-10%2Fh1-7H%2C11H2, -0.270771622657776, 0.430339843034744, 144.228363037109, 229.22346496582, 19.8803901672363, -0.0329840555787086, 0.0469988882541656, 84.9951019287109, -101.120155334473, 160.711196899414, 53.8623428344727, 261.831359863281, -12.3179559707642, 17.5518207550049, 353.571441650391, 0.431352555751801, -37.7635078430176, 29.8697776794434, 9.17886257171631, -4.60016298294067, 0.0532341524958611, 8.57545757293701, 0.177004963159561, 24.7011375427246, 85.6039199829102, 1.0, 0.946765840053558, 5.31753730773926, 60.0178909301758, 6.55475950241089, 1.0, 0.38620337843895, 0.613796591758728
-InChI%3D1S%2FC8H9N3O2%2Fc1-6%2812%2910-11-8%2813%297-2-4-9-5-3-7%2Fh2-5H%2C1H3%2C%28H%2C10%2C12%29%28H%2C11%2C13%29, -0.48009666800499, 0.785294413566589, 153.358963012695, 250.849334716797, 147.697219848633, -0.0962453559041023, 0.0474328361451626, 97.4903793334961, -194.059051513672, 317.422515869141, 61.9889602661133, 511.481567382812, -38.9031715393066, 19.1727447509766, 256.511077880859, 0.274479508399963, -78.4402770996094, 58.0759162902832, 12.7768630981445, -15.7249841690063, 0.365398794412613, 13.7967672348022, 0.198022246360779, 24.9851379394531, 101.395378112793, 5.0, 0.634601235389709, 1.40742230415344, 128.304809570312, 7.74978256225586, 2.0, 0.37940576672554, 0.620594263076782
-InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H, -0.191882759332657, 0.378108888864517, 110.775733947754, 218.285842895508, 23.6944160461426, -0.0351893790066242, 0.036895327270031, 107.510108947754, -63.141242980957, 124.421112060547, 36.4520378112793, 187.562347412109, -11.5794725418091, 12.1408348083496, 305.367156982422, 0.604933142662048, -20.7773571014404, 23.7203063964844, 10.6616563796997, -3.81035947799683, 0.0720060244202614, 14.3335371017456, 0.138233885169029, 20.216344833374, 71.8294830322266, 0.0, 0.927993953227997, 0.908579349517822, 40.9422073364258, 3.99508213996887, 0.0, 0.33664134144783, 0.663358628749847
-InChI%3D1S%2FC18H12O6%2Fc1-21-11-7-12-13%288-5-6-22-18%288%2924-12%2917-15%2811%2916%2820%2914-9%2819%293-2-4-10%2814%2923-17%2Fh2-8%2C18-19H%2C1H3, -0.693738758563995, 1.41225242614746, 187.420303344727, 381.533813476562, 151.813262939453, -0.0724948048591614, 0.0521312206983566, 194.113525390625, -394.705535888672, 803.506896972656, 106.633560180664, 1198.21240234375, -41.2462196350098, 29.6602745056152, 417.140869140625, 0.170732736587524, -224.5693359375, 70.906494140625, 21.7404842376709, -23.4672069549561, 0.266828656196594, 4.79420232772827, 0.103427432477474, 44.4935150146484, 217.075256347656, 2.0, 0.733171343803406, 2.2468421459198, 457.158569335938, 16.8753356933594, 1.0, 0.32941198348999, 0.67058801651001
-InChI%3D1S%2FC4H8N2O%2Fc1-3-5-6%282%294-7%2Fh3-4H%2C1-2H3, -0.147069349884987, 0.512006044387817, 74.7813339233398, 260.343139648438, 105.374328613281, -0.050326231867075, 0.0571108162403107, 185.561798095703, -49.2865371704102, 171.585754394531, 25.0610542297363, 220.872283935547, -16.865550994873, 19.139232635498, 229.750137329102, 0.428994536399841, -16.5171241760254, 36.0047836303711, 11.6836557388306, -5.65205907821655, 0.314433395862579, 19.8042068481445, 0.316717892885208, 15.3763437271118, 87.2473526000977, 3.0, 0.685566604137421, 14.0142135620117, 57.5025825500488, 6.4140248298645, 0.0, 0.223144963383675, 0.776855051517487
-InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3, -0.314023435115814, 0.397414565086365, 201.480575561523, 254.985168457031, 0.0, -0.0361659824848175, 0.020087867975235, 53.5045967102051, -143.340942382812, 181.406143188477, 91.9689865112305, 324.7470703125, -16.5085315704346, 9.16942405700684, 456.465759277344, 0.370579421520233, -65.4302291870117, 25.6779556274414, 21.1248989105225, -7.53557968139648, 0.0, 0.0, 0.136465519666672, 32.4951019287109, 116.391998291016, 1.0, 1.0, 0.0514998771250248, 82.8056945800781, 4.18552827835083, 0.0, 0.441392540931702, 0.558607459068298
-InChI%3D1S%2FC6H12N2.2ClH%2Fc1-3-5-7-8-6-4-2%3B%3B%2Fh3-4%2C7-8H%2C1-2%2C5-6H2%3B2%2A1H, , , , , , , , , , , , , , , , , , , 16.1448974609375, , , , , 26.4551029205322, , 2.0, , , , , 2.0, , 
-InChI%3D1S%2FC7H10N2.2ClH%2Fc1-5-2-3-6%288%294-7%285%299%3B%3B%2Fh2-4H%2C8-9H2%2C1H3%3B2%2A1H, , , , , , , , , , , , , , , , , , , 12.6384840011597, , , , , 26.8815155029297, , 2.0, , , , , 2.0, , 
-InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H, -0.489829897880554, 0.0745290517807007, 240.771667480469, 36.6341133117676, 0.0, -0.122457474470139, 0.0108332904055715, -204.137542724609, -135.881637573242, 20.6747875213623, 66.7914505004883, 156.556427001953, -33.9704093933105, 3.00521731376648, 277.40576171875, 0.25, -37.6943511962891, 36.9756278991699, 3.86641407012939, -9.42358779907227, 0.0, 14.4848365783691, 0.354643374681473, 13.5735864639282, 10.1625137329102, 0.0, 1.0, 0.0, 5.73530578613281, 0.83366459608078, 0.0, 0.867940366268158, 0.132059663534164
-InChI%3D1S%2FC13H14N2.2ClH%2Fc14-12-5-1-10%282-6-12%299-11-3-7-13%2815%298-4-11%3B%3B%2Fh1-8H%2C9%2C14-15H2%3B2%2A1H, , , , , , , , , , , , , , , , , , , 17.0113124847412, , , , , 40.1086883544922, , 2.0, , , , , 2.0, , 
-InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-2-1-3-8-4-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29, -0.38495546579361, 0.715088546276093, 111.911727905273, 207.885864257812, 88.65576171875, -0.0748975649476051, 0.0706627294421196, 95.9741363525391, -123.10782623291, 228.683609008789, 35.7891006469727, 351.791442871094, -23.9520626068115, 22.597770690918, 231.141830444336, 0.312163054943085, -39.3695869445801, 46.5498313903809, 8.31244945526123, -7.65981149673462, 0.277224600315094, 8.55222797393799, 0.199549213051796, 19.3295516967773, 66.4813995361328, 4.0, 0.722775399684906, 4.70137596130371, 73.1324615478516, 7.22671270370483, 2.0, 0.349945515394211, 0.650054514408112
-InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2, -0.325918287038803, 0.296396017074585, 167.130264282227, 151.991302490234, 24.007682800293, -0.089259959757328, 0.0502697341144085, -15.1389665603638, -104.007553100586, 94.5863571166992, 53.3348731994629, 198.593902587891, -28.4847793579102, 16.0421562194824, 295.113891601562, 0.542313277721405, -33.1910514831543, 44.5269355773926, 7.12882804870605, -9.09010696411133, 0.0752305239439011, 13.0196857452393, 0.240013495087624, 11.3491716384888, 48.5037002563477, 1.0, 0.924769461154938, 0.996349334716797, 30.1845455169678, 5.11939811706543, 0.0, 0.523719727993011, 0.476280242204666
-InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H, -0.418913513422012, 0.431068390607834, 229.151428222656, 235.800323486328, 5.47815227508545, -0.0336453281342983, 0.0338232666254044, 6.64889430999756, -194.774566650391, 200.426010131836, 106.544357299805, 395.200561523438, -15.6434535980225, 15.7261877059937, 459.473602294922, 0.30444672703743, -90.5607757568359, 31.3696403503418, 12.55006980896, -7.27345132827759, 0.0117821954190731, 1.6678055524826, 0.157541796565056, 30.7899303436279, 109.635772705078, 1.0, 0.988217830657959, 2.20609831809998, 93.1884231567383, 7.31191825866699, 1.0, 0.492849916219711, 0.507150113582611
-InChI%3D1S%2FC13H19NO4S%2Fc1-3-9-14%2810-4-2%2919%2817%2C18%2912-7-5-11%286-8-12%2913%2815%2916%2Fh5-8H%2C3-4%2C9-10H2%2C1-2H3%2C%28H%2C15%2C16%29, -0.585478186607361, 1.00296354293823, 213.373260498047, 365.522766113281, 164.896102905273, -0.0640595480799675, 0.0339561700820923, 152.149505615234, -338.930999755859, 580.611633300781, 123.520935058594, 919.542602539062, -37.0838203430176, 19.6570911407471, 413.999938964844, 0.206293284893036, -196.205810546875, 56.740909576416, 30.1849327087402, -21.4676761627197, 0.284845799207687, 5.62237358093262, 0.182953238487244, 42.7570686340332, 211.599685668945, 5.0, 0.715154230594635, 1.61677074432373, 336.11376953125, 11.379412651062, 1.0, 0.368586510419846, 0.631413519382477
-InChI%3D1S%2FC4H7NO2%2Fc1-2-4%287%295-3-6%2Fh2%2C6H%2C1%2C3H2%2C%28H%2C5%2C7%29, -0.442224472761154, 0.625200986862183, 130.053802490234, 183.865371704102, 139.096450805664, -0.109663031995296, 0.064008004963398, 53.8115730285645, -138.822738647461, 196.262588500977, 40.8263816833496, 335.085327148438, -34.4253273010254, 20.0933418273926, 174.822723388672, 0.350320219993591, -43.5791206359863, 54.518669128418, 8.97244930267334, -10.8067712783813, 0.443096369504929, 14.1370153427124, 0.205584391951561, 14.4115514755249, 57.7188682556152, 3.0, 0.556903600692749, 3.6383581161499, 61.6105918884277, 6.30768489837646, 2.0, 0.414290726184845, 0.585709273815155
-InChI%3D1S%2FC2H6N2O%2Fc1-2%285%294-3%2Fh3H2%2C1H3%2C%28H%2C4%2C5%29, -0.300807446241379, 0.455432087182999, 126.576446533203, 191.640777587891, 110.294876098633, -0.103659264743328, 0.060989785939455, 65.064338684082, -95.7221145629883, 144.926345825195, 40.2788047790527, 240.648452758789, -32.9861640930176, 19.4080009460449, 207.922348022461, 0.45930016040802, -30.4604263305664, 52.3941650390625, 5.89924192428589, -10.4967660903931, 0.346602469682693, 23.0868129730225, 0.289791762828827, 10.5227575302124, 60.9833984375, 3.0, 0.653397500514984, 6.87236404418945, 46.1180572509766, 6.17596006393433, 2.0, 0.397767424583435, 0.602232575416565
-InChI%3D1S%2FC6H13NO%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H2%2C7%2C8%29, -0.198206961154938, 0.652426362037659, 82.9337997436523, 272.988372802734, 96.0287780761719, -0.0680293366312981, 0.0454052723944187, 190.054565429688, -70.5462493896484, 232.212997436523, 29.5179786682129, 302.759246826172, -24.2131481170654, 16.1607437133789, 259.893402099609, 0.409587323665619, -25.1089744567871, 40.3738899230957, 14.21169090271, -8.61799621582031, 0.269802749156952, 17.7884883880615, 0.257579475641251, 21.1303081512451, 97.1626129150391, 2.0, 0.730197250843048, 5.79505491256714, 82.6497497558594, 5.75196695327759, 2.0, 0.233011052012444, 0.766988933086395
-InChI%3D1S%2FC12H10Cl2N2.2ClH%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%3B%3B%2Fh1-6H%2C15-16H2%3B2%2A1H, , , , , , , , , , , , , , , , , , , 13.4784841537476, , , , , 40.0415153503418, , 2.0, , , , , 2.0, , 
-InChI%3D1S%2FC7H5N3O3S%2Fc8-7-9-4%283-14-7%295-1-2-6%2813-5%2910%2811%2912%2Fh1-3H%2C%28H2%2C8%2C9%29, , , , , , , , , , , , , , , , , , , 13.7644491195679, , , , , 25.5935516357422, , 2.0, , , , , 2.0, , 
-InChI%3D1S%2FC2H5N%2Fc1-2-3-1%2Fh3H%2C1-2H2, -0.0287311039865017, 0.284841388463974, 18.8790092468262, 187.167282104492, 18.8790092468262, -0.0287311039865017, 0.0464495196938515, 168.288284301758, -5.91993761062622, 58.6905136108398, 3.88994979858398, 64.6104507446289, -5.91993761062622, 9.57075214385986, 187.167282104492, 1.0, -1.21978116035461, 15.4906892776489, 6.12603521347046, -1.21978116035461, 0.0916250795125961, 18.8790092468262, 0.389146417379379, 7.95396518707275, 38.5651245117188, 1.0, 0.908374905586243, 12.6203775405884, 12.0929622650146, 1.97201800346375, 1.0, 0.0916250795125961, 0.908374905586243
-InChI%3D1S%2FC6H12N2O3%2Fc1-8%282%297-5%289%293-4-6%2810%2911%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C9%29%28H%2C10%2C11%29, -0.405027449131012, 0.922347187995911, 111.237190246582, 253.314468383789, 132.765182495117, -0.0878439247608185, 0.0456493087112904, 142.077270507812, -147.653427124023, 336.243194580078, 40.5517044067383, 483.896636962891, -32.0236473083496, 16.6415328979492, 231.786483764648, 0.261501520872116, -53.8273010253906, 48.6651802062988, 16.0564842224121, -11.6742744445801, 0.364187568426132, 8.90693092346191, 0.195351764559746, 23.167516708374, 92.3462142944336, 5.0, 0.635812401771545, 1.17341792583466, 122.578018188477, 6.06669807434082, 2.0, 0.305134236812592, 0.694865763187408
-InChI%3D1S%2FC8H13NO2.ClH%2Fc1-9-5-3-4-7%286-9%298%2810%2911-2%3B%2Fh4H%2C3%2C5-6H2%2C1-2H3%3B1H, , , , , , , , , , , , , , , , , , , 20.5788974761963, , , , , 28.2991027832031, , 3.0, , , , , 0.0, , 
-InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3, -0.394371151924133, 0.854159295558929, 122.242935180664, 264.763122558594, 70.7625503540039, -0.0659486204385757, 0.046664297580719, 142.52018737793, -152.6240234375, 330.564819335938, 47.3087577819824, 483.188842773438, -25.5225143432617, 18.0593662261963, 316.243499755859, 0.315897226333618, -59.0664253234863, 43.5818786621094, 18.1076908111572, -9.87736797332764, 0.18284609913826, 10.0129861831665, 0.168025285005569, 24.9343090057373, 102.46492767334, 3.0, 0.817153871059418, 4.6686315536499, 127.930587768555, 6.98908376693726, 2.0, 0.31586828827858, 0.684131741523743
-InChI%3D1S%2FMo.3H2O%2Fh%3B3%2A1H2, , , , , , , , , , , , , , , , , , , 0.811241984367371, , , , , 19.2067584991455, , 3.0, , , , , 3.0, , 
-InChI%3D1S%2FC14H9NO2%2Fc15-8-5-6-11-12%287-8%2914%2817%2910-4-2-1-3-9%2810%2913%2811%2916%2Fh1-7H%2C15H2, -0.501903653144836, 0.723615825176239, 181.496109008789, 261.670654296875, 86.5211791992188, -0.0674693807959557, 0.0472095534205437, 80.1745376586914, -222.427017211914, 320.682464599609, 80.4330444335938, 543.109497070312, -29.9001865386963, 20.9217052459717, 356.645568847656, 0.246772617101669, -98.5722579956055, 50.821891784668, 11.0948629379272, -13.250768661499, 0.195233911275864, 4.69516229629517, 0.158551320433617, 33.3451385498047, 115.963729858398, 3.0, 0.804766058921814, 1.2515424489975, 142.115814208984, 9.271803855896, 1.0, 0.409543603658676, 0.590456426143646
-InChI%3D1S%2FC11H7N3O3%2Fc15-14%2816%2911-5-4-9%2817-11%298-7-12-10-3-1-2-6-13%288%2910%2Fh1-7H, -0.582376658916473, 0.635669529438019, 228.333877563477, 249.228530883789, 51.8456153869629, -0.0546002462506294, 0.0395911335945129, 20.8946590423584, -278.121215820312, 303.571868896484, 109.043678283691, 581.693054199219, -26.0750255584717, 18.9072380065918, 425.716796875, 0.244399026036263, -132.820236206055, 44.9822616577148, 14.1244487762451, -12.4524526596069, 0.108563013374805, 0.518266439437866, 0.193092212080956, 29.7335510253906, 119.022178649902, 2.0, 0.891436994075775, 1.48775994777679, 144.974517822266, 9.02938556671143, 0.0, 0.478123635053635, 0.521876394748688
-InChI%3D1S%2FC6H4O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H, -0.283978462219238, 0.338539034128189, 152.651245117188, 181.980026245117, 97.1129302978516, -0.0858154371380806, 0.060001615434885, 29.3287792205811, -95.0280685424805, 113.285751342773, 51.0818824768066, 208.313827514648, -28.7165279388428, 20.0784168243408, 237.518341064453, 0.465003460645676, -31.7993640899658, 48.7949447631836, 6.28882789611816, -9.60944843292236, 0.290208756923676, 22.5789241790771, 0.286902904510498, 14.8311719894409, 60.8962097167969, 2.0, 0.709791243076324, 10.2046852111816, 37.9089546203613, 6.7188663482666, 0.0, 0.456177473068237, 0.543822526931763
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-InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H, -0.13131707906723, 0.239231839776039, 91.7042694091797, 167.065704345703, 0.0, -0.0218861792236567, 0.0398719720542431, 75.361442565918, -33.9809150695801, 61.9060173034668, 23.7303104400635, 95.8869323730469, -5.66348600387573, 10.3176698684692, 258.769989013672, 0.16666667163372, -8.79324054718018, 15.9811553955078, 6.559241771698, -1.46554017066956, 0.0, 2.26430296897888, 0.16666667163372, 14.5607576370239, 43.2315902709961, 0.0, 1.0, 5.38303184509277, 16.0194187164307, 2.66990303993225, 0.0, 0.354385256767273, 0.645614743232727
-InChI%3D1S%2FC11H11N5%2Fc1-6-5-13-7-3-4-8-10%289%287%2914-6%2915-11%2812%2916%288%292%2Fh3-5H%2C1-2H3%2C%28H2%2C12%2C15%29, -0.380307644605637, 0.942354381084442, 133.744506835938, 331.402038574219, 78.048942565918, -0.0457586608827114, 0.0532933063805103, 197.657516479492, -176.898773193359, 438.332885742188, 62.2107925415039, 615.231689453125, -21.2844829559326, 24.7891960144043, 387.097595214844, 0.210286468267441, -82.2838516235352, 46.0736808776855, 17.3052768707275, -9.90040397644043, 0.167794317007065, 6.89330720901489, 0.143205851316452, 32.1947212219238, 154.150497436523, 5.0, 0.832205712795258, 5.55351591110229, 203.889022827148, 11.5306091308594, 2.0, 0.287531971931458, 0.712468028068542
-InChI%3D1S%2FC10H14N5O4%2Fc1-5-3-15%2810%2818%2912-9%285%2917%298-2-6%2813-14-11%297%284-16%2919-8%2Fh3%2C6-8%2C11%2C16H%2C2%2C4H2%2C1H3%2C%28H%2C12%2C17%2C18%29%2Ft6-%2C7%3F%2C8%2B%2Fm0%2Fs1, -0.817111611366272, 1.45109045505524, 198.863708496094, 353.157653808594, 200.636093139648, -0.0928352847695351, 0.0562413968145847, 154.2939453125, -451.063079833984, 801.032958984375, 109.777015686035, 1252.09594726562, -51.2470626831055, 31.0464534759521, 351.385284423828, 0.17326432466507, -248.996459960938, 82.2935180664062, 25.1917266845703, -28.2894725799561, 0.36345711350441, 5.16628694534302, 0.122939802706242, 38.3102722167969, 194.950576782227, 9.0, 0.636542916297913, 0.556745886802673, 442.187286376953, 17.1383056640625, 4.0, 0.360246390104294, 0.639753580093384
-InChI%3D1S%2FC12H7Cl2NO3%2Fc13-8-1-6-12%2811%2814%297-8%2918-10-4-2-9%283-5-10%2915%2816%2917%2Fh1-7H, -0.606067836284637, 0.400227338075638, 365.000610351562, 241.034439086914, 23.3241901397705, -0.0651031211018562, 0.0286235734820366, -123.966178894043, -367.298370361328, 242.551803588867, 221.203170776367, 609.850158691406, -39.454776763916, 17.3468894958496, 582.710876464844, 0.305923640727997, -222.595687866211, 56.8016662597656, 11.6644487380981, -23.9109783172607, 0.0384865365922451, 7.13542079925537, 0.125786408782005, 33.6535491943359, 146.075317382812, 0.0, 0.961513459682465, 0.78325092792511, 146.994903564453, 10.5128231048584, 0.0, 0.602276384830475, 0.397723585367203
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-InChI%3D1S%2FC9H4Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-4H, -0.744868755340576, 0.445078015327454, 282.736175537109, 168.94206237793, 89.3567504882812, -0.0834420323371887, 0.0297169126570225, -113.794120788574, -336.441009521484, 201.03205871582, 127.705780029297, 537.473083496094, -37.6889495849609, 13.4224824905396, 362.321472167969, 0.229636758565903, -151.963073730469, 51.1114349365234, 11.8088283538818, -17.0232791900635, 0.197832763195038, 7.43574571609497, 0.277622014284134, 30.6511726379395, 76.3074493408203, 3.0, 0.802167236804962, 0.0, 90.8018035888672, 6.06264352798462, 0.0, 0.625968098640442, 0.374031871557236
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-InChI%3D1S%2FC42H50Cl4N2O4%2Fc1-42-17-16-36-35-13-11-34%2851-40%2849%2926-29-2-7-32%288-3-29%2947%2822-18-43%2923-19-44%2928-31%2835%296-12-37%2836%2938%2842%2914-15-39%2842%2952-41%2850%2927-30-4-9-33%2810-5-30%2948%2824-20-45%2925-21-46%2Fh2-5%2C7-11%2C13%2C28%2C36-39H%2C6%2C12%2C14-27H2%2C1H3%2Ft36-%2C37%3F%2C38%2B%2C39%2B%2C42%3F%2Fm1%2Fs1, -1.26488363742828, 2.08503556251526, 448.471862792969, 739.261535644531, 78.7604141235352, -0.0534659139811993, 0.0311438087373972, 290.789672851562, -1502.34460449219, 2476.46655273438, 532.6650390625, 3978.81103515625, -63.5032501220703, 36.9905433654785, 1108.97302246094, 0.0929680615663528, -1784.38488769531, 100.493797302246, 61.6755218505859, -75.424934387207, 0.0663115233182907, 0.0794287472963333, 0.0808625519275665, 118.720474243164, 878.045654296875, 5.0, 0.933688461780548, 0.394167840480804, 2941.38208007812, 43.9349060058594, 0.0, 0.377586305141449, 0.622413694858551
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-InChI%3D1S%2FC8H15N3O7%2Fc1-11%2810-17%298%2816%299-4-6%2814%295%2813%293%282-12%2918-7%284%2915%2Fh3-7%2C12-15H%2C2H2%2C1H3%2C%28H%2C9%2C16%29%2Ft3%3F%2C4%3F%2C5-%2C6-%2C7%2B%2Fm1%2Fs1, -1.14417552947998, 1.5291405916214, 227.787307739258, 304.427795410156, 308.068725585938, -0.13204899430275, 0.0705879330635071, 76.6404876708984, -608.947448730469, 813.831726074219, 121.231842041016, 1422.77917480469, -70.2784652709961, 37.5679626464844, 224.146347045898, 0.147000581026077, -324.091033935547, 107.84642791748, 21.2521057128906, -37.403263092041, 0.578842520713806, 2.83001279830933, 0.088468462228775, 32.9958953857422, 162.021057128906, 8.0, 0.421157449483871, 1.00159704685211, 433.133514404297, 19.9942359924316, 5.0, 0.427998572587967, 0.572001397609711
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-InChI%3D1S%2FC14H10Cl4%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2918%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13-14H, -0.630704998970032, 0.363674461841583, 352.951843261719, 203.517608642578, 0.0, -0.0703846365213394, 0.0236636456102133, -149.434234619141, -350.968078613281, 202.373733520508, 196.406921386719, 553.341796875, -39.1669006347656, 13.1680955886841, 556.469482421875, 0.145009070634842, -195.303024291992, 52.3349952697754, 12.6120700836182, -21.7951831817627, 0.0, 8.28996753692627, 0.171152427792549, 40.0279312133789, 113.251335144043, 0.0, 1.0, 0.0, 112.614807128906, 7.32764339447021, 0.0, 0.634269952774048, 0.365730047225952
-InChI%3D1S%2FC13H18Cl2N2O2%2Fc14-5-7-17%288-6-15%2911-3-1-10%282-4-11%299-12%2816%2913%2818%2919%2Fh1-4%2C12H%2C5-9%2C16H2%2C%28H%2C18%2C19%29%2Ft12-%2Fm0%2Fs1, -0.689892053604126, 1.08930134773254, 241.208648681641, 380.855072021484, 105.510726928711, -0.075014740228653, 0.0446872152388096, 139.646438598633, -429.156829833984, 677.614868164062, 150.047149658203, 1106.77172851562, -46.663948059082, 27.7982959747314, 516.552978515625, 0.185648679733276, -266.962890625, 74.4622421264648, 22.795726776123, -29.0279502868652, 0.169614017009735, 4.42527198791504, 0.155233219265938, 43.046272277832, 236.916137695312, 4.0, 0.830385982990265, 0.673698782920837, 421.519622802734, 17.2923126220703, 2.0, 0.387755513191223, 0.612244486808777
-InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3, -0.0812219530344009, 0.327973395586014, 44.7879028320312, 180.853073120117, 37.6490592956543, -0.0633468180894852, 0.036294873803854, 136.065170288086, -18.3270015716553, 74.0042343139648, 10.1059865951538, 92.3312377929688, -14.2936382293701, 8.18961048126221, 187.991928100586, 0.910916030406952, -4.13532257080078, 22.483247756958, 8.47524166107178, -3.22523045539856, 0.166853815317154, 34.2951316833496, 0.192297324538231, 10.0827579498291, 40.8078651428223, 1.0, 0.833146154880524, 0.507989287376404, 16.6983890533447, 1.8479118347168, 0.0, 0.198491886258125, 0.801508128643036
-InChI%3D1S%2FC7H10N2.2ClH%2Fc8-9-6-7-4-2-1-3-5-7%3B%3B%2Fh1-5%2C9H%2C6%2C8H2%3B2%2A1H, , , , , , , , , , , , , , , , , , , 12.6384840011597, , , , , 26.8815155029297, , 2.0, , , , , 2.0, , 
-InChI%3D1S%2FC12H4Cl4O2%2Fc13-5-1-9-10%282-6%285%2914%2918-12-4-8%2816%297%2815%293-11%2812%2917-9%2Fh1-4H, , , , , , , , , , , , , , , , , , , 9.88482761383057, , , , , 34.1111717224121, , 0.0, , , , , 0.0, , 
-InChI%3D1S%2FC26H29NO.C6H8O7%2Fc1-4-25%2821-11-7-5-8-12-21%2926%2822-13-9-6-10-14-22%2923-15-17-24%2818-16-23%2928-20-19-27%282%293%3B7-3%288%291-6%2813%2C5%2811%2912%292-4%289%2910%2Fh5-18H%2C4%2C19-20H2%2C1-3H3%3B13H%2C1-2H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29%28H%2C11%2C12%29, , , , , , , , , , , , , , , , , , , 47.2186584472656, , , , , 88.5073394775391, , 8.0, , , , , 4.0, , 
-InChI%3D1S%2FC4H3FN2O2%2Fc5-2-1-6-4%289%297-3%282%298%2Fh1H%2C%28H2%2C6%2C7%2C8%2C9%29, -0.652077555656433, 0.610902309417725, 169.776641845703, 159.05615234375, 258.202270507812, -0.134541049599648, 0.0907471552491188, -10.7204885482788, -214.424468994141, 200.884719848633, 55.8281288146973, 415.309204101562, -44.2415084838867, 29.8406391143799, 70.6305313110352, 0.271101921796799, -70.5097961425781, 74.082145690918, 7.12262105941772, -14.548059463501, 0.785208404064178, 10.0291566848755, 0.2115718126297, 13.4013786315918, 52.3028793334961, 2.0, 0.214791625738144, 4.34483242034912, 66.0574798583984, 9.81258106231689, 2.0, 0.516300797462463, 0.483699172735214
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-InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2, -0.309397369623184, 0.140021786093712, 204.233200073242, 92.4283752441406, 0.0, -0.102297678589821, 0.0157922860234976, -111.804832458496, -91.7863159179688, 41.5390815734863, 60.5881423950195, 133.325393676758, -30.3477916717529, 4.68496465682983, 296.661590576172, 0.3819200694561, -27.2294731140137, 35.0327568054199, 8.46603488922119, -9.00302314758301, 0.0, 22.9728851318359, 0.173232227563858, 16.8939647674561, 27.4199466705322, 0.0, 1.0, 0.0, 12.3230495452881, 1.38984894752502, 0.0, 0.688438355922699, 0.311561644077301
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-InChI%3D1S%2FC11H16N4O4%2Fc1-7%2815-5-10%2818%2913-11%2819%296-15%292-14-3-8%2816%2912-9%2817%294-14%2Fh7H%2C2-6H2%2C1H3%2C%28H%2C12%2C16%2C17%29%28H%2C13%2C18%2C19%29, -0.993527591228485, 1.23816275596619, 215.559951782227, 268.637023925781, 226.212768554688, -0.122639313340187, 0.0476642325520515, 53.077075958252, -481.063079833984, 599.5146484375, 104.373481750488, 1080.57775878906, -59.3815879821777, 23.07887840271, 257.984222412109, 0.155459687113762, -232.929290771484, 82.4604644775391, 26.0073127746582, -28.7523860931396, 0.467191606760025, 5.52971696853638, 0.117369838058949, 37.6366882324219, 130.0732421875, 8.0, 0.532808363437653, 0.815738201141357, 290.283203125, 11.1747236251831, 2.0, 0.445190608501434, 0.554809391498566
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-InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296, -0.40477529168129, 0.0187365785241127, 264.966125488281, 12.2649736404419, 12.2649736404419, -0.101193822920322, 0.00936828926205635, -252.701141357422, -112.216293334961, 5.1943621635437, 73.4568405151367, 117.410652160645, -28.0540733337402, 2.59718108177185, 264.966125488281, 0.25, -31.1098442077637, 30.651252746582, 1.67999994754791, -7.77746105194092, 0.044240977615118, 16.4284343719482, 0.5, 12.2399997711182, 3.4002320766449, 0.0, 0.955759048461914, 2.64168667793274, 1.44003856182098, 0.720019280910492, 0.0, 0.955759048461914, 0.044240977615118
-InChI%3D1S%2FC9H7N7O2S%2Fc1-15-4-14-7%2816%2817%2918%299%2815%2919-8-5-6%2811-2-10-5%2912-3-13-8%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C12%2C13%29, -0.654033899307251, 1.23264372348785, 186.043090820312, 350.631439208984, 80.6996612548828, -0.0601494610309601, 0.0494664087891579, 164.588363647461, -351.003356933594, 661.528503417969, 99.844596862793, 1012.53186035156, -32.2806854248047, 26.5473613739014, 455.974884033203, 0.14729805290699, -188.374557495117, 58.8280487060547, 24.3476905822754, -17.3242225646973, 0.150369837880135, 1.32317721843719, 0.0990271121263504, 36.7123107910156, 188.17497253418, 6.0, 0.849630177021027, 0.0373712293803692, 355.025512695312, 14.24729347229, 3.0, 0.346659064292908, 0.653340935707092
-InChI%3D1S%2FC18H22ClNO.ClH%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%3B%2Fh2-11%2C16H%2C12-15H2%2C1H3%3B1H, , , , , , , , , , , , , , , , , , , 29.8797607421875, , , , , 53.2782402038574, , 1.0, , , , , 0.0, , 
-InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H, -0.207905307412148, 0.288646668195724, 144.60090637207, 200.757583618164, 0.0, -0.0231663528829813, 0.0360590294003487, 56.1566886901855, -71.8018646240234, 99.6865844726562, 49.9391479492188, 171.48844909668, -8.00069618225098, 12.4532918930054, 345.358489990234, 0.123182572424412, -24.797384262085, 20.4539890289307, 8.74565601348877, -2.76310849189758, 0.0, 1.73939263820648, 0.125589475035667, 22.9343433380127, 69.3333358764648, 0.0, 1.0, 2.72550868988037, 34.4276084899902, 4.30084991455078, 0.0, 0.418697983026505, 0.581302046775818
-InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2, -0.0831281170248985, 0.292839676141739, 43.6011428833008, 153.595962524414, 43.6011428833008, -0.0831281170248985, 0.0475897826254368, 109.994827270508, -16.3926258087158, 57.7471351623535, 8.59801864624023, 74.139762878418, -16.3926258087158, 9.38456726074219, 153.595962524414, 1.0, -3.23257827758789, 25.777193069458, 6.28882789611816, -3.23257827758789, 0.221104368567467, 43.6011428833008, 0.187773495912552, 6.98917198181152, 30.2886810302734, 1.0, 0.778895616531372, 2.78726530075073, 11.3875684738159, 1.85060954093933, 0.0, 0.221104368567467, 0.778895616531372
-InChI%3D1S%2FC7H8ClN.ClH%2Fc1-5-4-6%288%292-3-7%285%299%3B%2Fh2-4H%2C9H2%2C1H3%3B1H, , , , , , , , , , , , , , , , , , , 10.0188627243042, , , , , 23.7811374664307, , 1.0, , , , , 1.0, , 
-InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H, -0.254131764173508, 0.331586927175522, 155.188339233398, 202.487167358398, 46.8477325439453, -0.0569366179406643, 0.0484975725412369, 47.298828125, -90.8967056274414, 118.600517272949, 55.5070648193359, 209.497222900391, -20.3648338317871, 17.3463935852051, 310.827758789062, 0.507710754871368, -32.5115242004395, 37.7112274169922, 7.51724195480347, -7.28400230407715, 0.130978316068649, 23.7850971221924, 0.255588263273239, 17.1227588653564, 72.4246978759766, 1.0, 0.869021713733673, 11.3977508544922, 42.4204978942871, 6.20438003540039, 0.0, 0.433880239725113, 0.566119730472565
-InChI%3D1S%2FC2H8N2.2ClH%2Fc1-3-4-2%3B%3B%2Fh3-4H%2C1-2H3%3B2%2A1H, , , , , , , , , , , , , , , , , , , 11.7720699310303, , , , , 16.7479305267334, , 2.0, , , , , 2.0, , 
-InChI%3D1S%2FC7H14N2O%2Fc1-3-4-5-6-8-9%282%297-10%2Fh6-7H%2C3-5H2%2C1-2H3%2Fb8-6%2B, -0.210999682545662, 0.605533242225647, 123.825424194336, 355.35791015625, 76.7377624511719, -0.0420940704643726, 0.0333179607987404, 231.532485961914, -101.107536315918, 290.161437988281, 59.3350791931152, 391.268951416016, -20.1707763671875, 15.9654121398926, 402.445587158203, 0.346268653869629, -48.449047088623, 36.1361885070801, 18.24289894104, -9.66549968719482, 0.160142794251442, 16.4585723876953, 0.255643248558044, 24.6571025848389, 170.281585693359, 3.0, 0.839857220649719, 4.22884798049927, 139.04052734375, 7.65035963058472, 0.0, 0.258409291505814, 0.741590738296509
-InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2, -0.10342712700367, 0.117512986063957, 152.086395263672, 172.799209594727, 0.0, -0.0531090907752514, 0.0273593403398991, 20.7128143310547, -33.6019859313965, 38.1782760620117, 49.4106826782227, 71.7802658081055, -17.2543792724609, 8.88865566253662, 324.885620117188, 0.631549954414368, -10.9168014526367, 26.1430358886719, 3.69962096214294, -5.60569953918457, 0.0, 52.9509315490723, 0.369666755199432, 7.70037889480591, 56.1399765014648, 0.0, 1.0, 10.2631206512451, 12.4035730361938, 2.88779640197754, 0.0, 0.468122899532318, 0.531877100467682
-InChI%3D1S%2FCH2O%2Fc1-2%2Fh1H2, -0.114957742393017, 0.191563427448273, 109.358840942383, 182.233520507812, 109.358840942383, -0.114957742393017, 0.064277395606041, 72.8746719360352, -33.5208015441895, 55.8584289550781, 31.8882026672363, 89.3792266845703, -33.5208015441895, 18.7427959442139, 182.233520507812, 1.0, -9.77440929412842, 52.2635955810547, 3.14441394805908, -9.77440929412842, 0.375040143728256, 109.358840942383, 0.347584366798401, 3.89558601379395, 53.1379013061523, 1.0, 0.624959826469421, 27.6555805206299, 16.2878913879395, 5.46525621414185, 0.0, 0.375040143728256, 0.624959826469421
-InChI%3D1S%2F4C5H11NS2.H2Se%2Fc4%2A1-3-6%284-2%295%287%298%3B%2Fh4%2A3-4H2%2C1-2H3%2C%28H%2C7%2C8%29%3B1H2%2Fq%3B%3B%3B%3B%2B4%2Fp-4, , , , , , , , , , , , , , , , , , , 60.7682800292969, , , , , 93.2417221069336, , 4.0, , , , , 0.0, , 
-InChI%3D1S%2FO3%2Fc1-3-2, , , , , , , , , , , , , , , , , , , 0.0, , , , , 2.40599989891052, , 2.0, , , , , 0.0, , 
-InChI%3D1S%2FC7H6N4O3S%2Fc8-10-7-9-4%283-15-7%295-1-2-6%2814-5%2911%2812%2913%2Fh1-3H%2C8H2%2C%28H%2C9%2C10%29, , , , , , , , , , , , , , , , , , , 12.0112419128418, , , , , 26.0267581939697, , 3.0, , , , , 2.0, , 
-InChI%3D1S%2FC9H4Cl6O4%2Fc10-3-4%2811%298%2813%292%286%2818%2919%291%285%2816%2917%297%283%2C12%299%288%2C14%2915%2Fh1-2H%2C%28H%2C16%2C17%29%28H%2C18%2C19%29, -1.71630322933197, 0.317840754985809, 424.106079101562, 78.5398483276367, 216.785598754883, -0.164044469594955, 0.031960591673851, -345.566223144531, -862.692810058594, 159.761367797852, 213.175186157227, 1022.45416259766, -82.4562835693359, 16.0648612976074, 285.860321044922, 0.162827834486961, -433.629028320312, 98.5211486816406, 8.80882835388184, -41.4463157653809, 0.431288868188858, 5.04985809326172, 0.13060587644577, 34.7951736450195, 39.4777336120605, 4.0, 0.56871110200882, 1.49919319152832, 80.3033981323242, 8.07493686676025, 2.0, 0.843747138977051, 0.156252831220627
-InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29, -0.450485557317734, 0.714474022388458, 157.938568115234, 250.491943359375, 109.29434967041, -0.0790537521243095, 0.0403979644179344, 92.5533752441406, -183.992050170898, 291.81298828125, 64.5069351196289, 475.805023193359, -32.2879638671875, 16.4997615814209, 299.136169433594, 0.283540487289429, -75.1479644775391, 48.7877235412598, 16.7896919250488, -13.1873893737793, 0.267595946788788, 7.43699312210083, 0.236818790435791, 24.8323097229004, 102.308555603027, 3.0, 0.732404053211212, 0.983087360858917, 119.185325622559, 6.73900604248047, 2.0, 0.386696308851242, 0.61330372095108
-InChI%3D1S%2FC2H5NS%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, -0.185164570808411, 0.25926399230957, 126.62565612793, 177.298889160156, 37.6991119384766, -0.0641539841890335, 0.0432039648294449, 50.6732368469238, -56.2760581970215, 78.7966918945312, 38.4846458435059, 135.07275390625, -19.4979705810547, 13.130744934082, 266.225433349609, 0.671462893486023, -17.1036758422852, 32.6287155151367, 7.74603509902954, -5.92591190338135, 0.124041020870209, 25.3135547637939, 0.421717315912247, 10.853964805603, 53.8854827880859, 1.0, 0.875958979129791, 14.8335084915161, 23.9482479095459, 3.9907557964325, 1.0, 0.416635185480118, 0.583364844322205
-InChI%3D1S%2FC19H20N2O2%2Fc1-2-3-14-17-18%2822%2920%2815-10-6-4-7-11-15%2921%2819%2817%2923%2916-12-8-5-9-13-16%2Fh4-13%2C17H%2C2-3%2C14H2%2C1H3, -0.500161945819855, 1.066286444664, 203.989013671875, 434.880615234375, 76.3329162597656, -0.0382915437221527, 0.0369807295501232, 230.891616821289, -319.538269042969, 681.218078613281, 130.322387695312, 1000.75634765625, -24.4633026123047, 23.6258640289307, 562.536743164062, 0.177294686436653, -204.143295288086, 48.089168548584, 26.4201393127441, -15.6288614273071, 0.119481205940247, 5.13498687744141, 0.149024114012718, 50.5798606872559, 277.83203125, 4.0, 0.880518794059753, 0.309316098690033, 435.209533691406, 15.0938472747803, 0.0, 0.319296777248383, 0.680703222751617
-InChI%3D1S%2FC6H6O4%2Fc7-2-4-1-5%288%296%289%293-10-4%2Fh1%2C3%2C7%2C9H%2C2H2, -0.459397107362747, 0.98462438583374, 102.694786071777, 220.105407714844, 155.986801147461, -0.1109708994627, 0.0641922131180763, 117.410629272461, -148.293472290039, 317.836944580078, 33.1498985290527, 466.130432128906, -35.8214302062988, 20.7212600708008, 166.813400268555, 0.272417098283768, -47.8691635131836, 56.5426864624023, 13.8060703277588, -11.5631647109985, 0.483230173587799, 3.10325193405151, 0.146140590310097, 20.4359302520752, 71.0500717163086, 4.0, 0.516769826412201, 2.37620306015015, 102.597831726074, 6.68882656097412, 2.0, 0.318137317895889, 0.681862711906433
-InChI%3D1S%2FC33H40N2O9%2Fc1-38-19-7-8-20-21-9-10-35-16-18-13-27%2844-32%2836%2917-11-25%2839-2%2930%2841-4%2926%2812-17%2940-3%2931%2842-5%2928%2833%2837%2943-6%2922%2818%2915-24%2835%2929%2821%2934-23%2820%2914-19%2Fh7-8%2C11-12%2C14%2C18%2C22%2C24%2C27-28%2C31%2C34H%2C9-10%2C13%2C15-16H2%2C1-6H3%2Ft18-%2C22%3F%2C24-%2C27%3F%2C28%2B%2C31%2B%2Fm1%2Fs1, -0.699751198291779, 3.07445192337036, 167.359909057617, 735.318481445312, 126.225074768066, -0.0422245934605598, 0.0420134700834751, 567.958557128906, -631.650329589844, 2775.24145507812, 151.072174072266, 3406.8916015625, -38.1152305603027, 37.9246520996094, 776.453308105469, 0.0999284163117409, -570.177124023438, 76.0398864746094, 63.8826942443848, -34.4057960510254, 0.139833942055702, 0.916363000869751, 0.0778286159038544, 95.503303527832, 663.756103515625, 7.0, 0.860166072845459, 0.364693135023117, 2505.150390625, 34.2337646484375, 1.0, 0.185403689742088, 0.81459629535675
-InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H, -0.278718292713165, 0.0607511959969997, 240.836822509766, 52.494312286377, 20.8819046020508, -0.0915818884968758, 0.0277641210705042, -188.342498779297, -81.7567520141602, 17.8202171325684, 70.6449356079102, 99.5769653320312, -26.8638191223145, 8.14408111572266, 272.44921875, 0.36738058924675, -23.9818000793457, 35.0079002380371, 3.22320699691772, -7.87999439239502, 0.0711888447403908, 24.9667930603027, 0.710292398929596, 9.83679294586182, 15.3982152938843, 0.0, 0.928811132907867, 14.8322582244873, 5.22722434997559, 2.38891243934631, 0.0, 0.821040749549866, 0.178959220647812
-InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29, -0.468575090169907, 0.747061491012573, 135.195159912109, 215.545166015625, 138.979370117188, -0.0988002717494965, 0.066653698682785, 80.3500061035156, -164.348175048828, 262.024597167969, 47.4183921813965, 426.372772216797, -34.6532402038574, 23.3781394958496, 211.760955810547, 0.324373096227646, -57.6435356140137, 58.031379699707, 9.27044868469238, -12.1542882919312, 0.396245777606964, 5.73665952682495, 0.192047834396362, 15.6535511016846, 75.6003799438477, 4.0, 0.603754222393036, 3.50903391838074, 91.902587890625, 8.19965648651123, 3.0, 0.385456562042236, 0.614543437957764
-InChI%3D1S%2FC6H10N6O%2Fc1-12%282%2911-10-6-4%285%287%2913%298-3-9-6%2Fh3H%2C1-2H3%2C%28H2%2C7%2C13%29%28H%2C8%2C9%29%2Fb11-10-, -0.321044445037842, 1.23886334896088, 85.3064804077148, 329.185180664062, 72.0034027099609, -0.0519384145736694, 0.0519555285573006, 243.878692626953, -133.070236206055, 513.49853515625, 35.3588256835938, 646.568725585938, -21.528039932251, 21.5351333618164, 342.488250732422, 0.186314940452576, -55.1565017700195, 43.063175201416, 18.9028987884521, -8.92319297790527, 0.173714965581894, 2.92479920387268, 0.139759227633476, 27.2971019744873, 136.44450378418, 7.0, 0.826285004615784, 0.474685847759247, 212.840850830078, 8.92613315582275, 3.0, 0.205809891223907, 0.794190108776093
-InChI%3D1S%2FC12H12N2%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C13-14H2, -0.324228346347809, 0.702261567115784, 138.19856262207, 299.330810546875, 40.1731147766113, -0.0382180288434029, 0.0557970441877842, 161.132247924805, -141.859436035156, 307.260070800781, 60.4659309387207, 449.119506835938, -16.7215118408203, 24.4128456115723, 397.356262207031, 0.294637829065323, -62.0676689147949, 41.1343574523926, 11.7984838485718, -7.31615209579468, 0.0918181017041206, 6.02239322662354, 0.120897382497787, 31.3215160369873, 130.966033935547, 2.0, 0.90818190574646, 3.61592102050781, 134.435302734375, 10.6813373565674, 2.0, 0.315861225128174, 0.684138774871826
-InChI%3D1S%2FC8H6N4O4S%2Fc1-4%2813%299-8-11-10-7%2817-8%295-2-3-6%2816-5%2912%2814%2915%2Fh2-3H%2C1H3%2C%28H%2C9%2C11%2C13%29, -0.81769722700119, 0.676399528980255, 257.576965332031, 213.067794799805, 85.3443069458008, -0.075072705745697, 0.0393280684947968, -44.5091781616211, -384.844909667969, 318.343872070312, 121.227249145508, 703.188781738281, -35.332576751709, 18.5095481872559, 385.300445556641, 0.233011990785599, -181.125228881836, 53.8421249389648, 15.0844488143921, -16.6290912628174, 0.181334882974625, 4.99684524536133, 0.157428368926048, 29.2555503845215, 100.279235839844, 4.0, 0.818665146827698, 1.21792387962341, 149.826873779297, 8.71142196655273, 2.0, 0.547285318374634, 0.452714681625366
-InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2%2Fb2-1%2B, -0.255463540554047, 0.214776143431664, 163.620819091797, 137.561111450195, 0.0, -0.0868520960211754, 0.0257736630737782, -26.0597076416016, -76.9410018920898, 64.6866912841797, 49.2796363830566, 141.627700805664, -26.1582832336426, 7.7625617980957, 301.181945800781, 0.359306991100311, -23.1732406616211, 33.9208450317383, 7.39924192428589, -7.87840223312378, 0.0, 26.7178535461426, 0.142974570393562, 15.4007577896118, 41.4309234619141, 0.0, 1.0, 0.481110244989395, 19.4824638366699, 2.33794331550598, 0.0, 0.543262422084808, 0.456737607717514
-InChI%3D1S%2FCH5N3O.ClH%2Fc2-1%285%294-3%3B%2Fh3H2%2C%28H3%2C2%2C4%2C5%29%3B1H, , , , , , , , , , , , , , , , , , , 5.65924215316772, , , , , 12.0427579879761, , 4.0, , , , , 4.0, , 
-InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-1-2-8%286-10%294-3-7%2Fh1-4H2, -0.181608498096466, 0.398862779140472, 109.776992797852, 241.100814819336, 0.0, -0.0416045263409615, 0.0279373861849308, 131.323822021484, -63.7223892211914, 139.952087402344, 38.518310546875, 203.67448425293, -14.598105430603, 9.80260848999023, 350.877807617188, 0.276108384132385, -22.358772277832, 24.4007129669189, 11.9816560745239, -5.12215089797974, 0.0, 1.84597837924957, 0.079826757311821, 18.3783435821533, 84.596923828125, 2.0, 1.0, 1.96371567249298, 49.1060829162598, 3.43951773643494, 0.0, 0.312863886356354, 0.687136113643646
-InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3%2Fb6-5-, -0.13309308886528, 0.34474989771843, 103.791725158691, 268.850830078125, 0.0, -0.031094329431653, 0.0222117472440004, 165.059097290039, -49.5961494445801, 128.468475341797, 38.6772117614746, 178.064636230469, -11.5870695114136, 8.27704238891602, 372.642547607422, 0.265893131494522, -18.4816341400146, 19.8641128540039, 13.2812767028809, -4.31783533096313, 0.0, 10.6012678146362, 0.208365708589554, 20.5987224578857, 100.185256958008, 0.0, 1.0, 0.471803069114685, 47.8728218078613, 3.0843780040741, 0.0, 0.278528928756714, 0.721471071243286
-InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H, -0.109335787594318, 0.31154876947403, 71.0685577392578, 202.507553100586, 29.3047523498535, -0.045983050018549, 0.0397721491754055, 131.438995361328, -29.9116611480713, 85.232307434082, 19.4426612854004, 115.143966674805, -12.5798635482788, 10.8807096481323, 244.271362304688, 0.838823616504669, -8.18311595916748, 23.4605731964111, 8.47524166107178, -3.44155025482178, 0.107117362320423, 24.5815162658691, 0.210752800107002, 11.8427581787109, 55.4012298583984, 1.0, 0.892882645130157, 6.10759115219116, 23.3175220489502, 2.97670221328735, 0.0, 0.259776204824448, 0.740223824977875
-InChI%3D1S%2FBrHO3.K%2Fc2-1%283%294%3B%2Fh%28H%2C2%2C3%2C4%29%3B%2Fq%3B%2B1%2Fp-1, , , , , , , , , , , , , , , , , , , 6.74399995803833, , , , , 48.8559989929199, , 3.0, , , , , 0.0, , 
-InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H, -0.21905905008316, 0.132765144109726, 241.877502441406, 146.5947265625, 0.0, -0.0732527673244476, 0.0458859764039516, -95.2827682495117, -85.0983581542969, 51.5755729675293, 93.9626922607422, 136.673934936523, -28.4566669464111, 17.8254280090332, 388.472229003906, 0.384534329175949, -33.058349609375, 46.2820930480957, 2.35320711135864, -11.0546245574951, 0.0, 32.2919883728027, 0.531400680541992, 10.7267932891846, 56.9479827880859, 0.0, 1.0, 29.2791347503662, 20.0356788635254, 6.92468357086182, 0.0, 0.622637808322906, 0.377362191677094
-InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3, -0.627170622348785, 0.631716549396515, 218.091506958008, 219.672317504883, 72.1266250610352, -0.0770235359668732, 0.0411534793674946, 1.58080196380615, -274.552612304688, 276.542663574219, 95.4725799560547, 551.095275878906, -33.7181205749512, 18.0155048370361, 365.63720703125, 0.227560520172119, -120.18920135498, 51.7336235046387, 22.6784496307373, -14.7605724334717, 0.164761498570442, 2.9875864982605, 0.363705605268478, 22.9055519104004, 96.1645965576172, 4.0, 0.835238516330719, 0.7212935090065, 121.060371398926, 7.88653659820557, 0.0, 0.498194456100464, 0.501805543899536
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-InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3, -0.398064374923706, 0.252352684736252, 241.720443725586, 153.238540649414, 0.0, -0.0620911046862602, 0.019093532115221, -88.4818954467773, -157.219100952148, 99.6689605712891, 95.4696578979492, 256.888061523438, -24.5234394073486, 7.54116201400757, 394.958984375, 0.194819450378418, -62.0950927734375, 32.0646018981934, 9.0712423324585, -9.68575286865234, 0.0, 8.69408702850342, 0.202244848012924, 21.7287578582764, 60.5229415893555, 0.0, 1.0, 0.680555105209351, 39.3651542663574, 2.97844982147217, 0.0, 0.612014055252075, 0.387985974550247
-InChI%3D1S%2FC20H14O4%2Fc21-15-9-5-13%286-10-15%2920%2814-7-11-16%2822%2912-8-14%2918-4-2-1-3-17%2818%2919%2823%2924-20%2Fh1-12%2C21-22H, -0.79392808675766, 1.05326151847839, 267.235290527344, 354.526641845703, 194.545822143555, -0.0746894553303719, 0.0544653236865997, 87.2913360595703, -493.63427734375, 654.8779296875, 166.15673828125, 1148.51220703125, -46.4390640258789, 33.8644638061523, 427.216125488281, 0.195106759667397, -306.923004150391, 80.3035278320312, 18.178897857666, -28.8740406036377, 0.312894374132156, 6.88440275192261, 0.159760817885399, 47.7431030273438, 220.431167602539, 2.0, 0.687105596065521, 1.26108980178833, 407.178161621094, 21.0556354522705, 2.0, 0.429803252220154, 0.570196747779846
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-InChI%3D1S%2FC10Cl10O%2Fc11-2-1%2821%293%2812%296%2815%294%282%2C13%298%2817%295%282%2C14%297%283%2C16%299%286%2C18%2910%288%2C19%2920, -1.50193607807159, 0.31220531463623, 599.717651367188, 124.662452697754, 49.7777099609375, -0.13521870970726, 0.031309325248003, -475.05517578125, -1087.97253417969, 226.155319213867, 434.423492431641, 1314.1279296875, -97.9497375488281, 22.6798515319824, 674.602355957031, 0.161628842353821, -788.105651855469, 120.629592895508, 5.15799999237061, -70.9528427124023, 0.0687176659703255, 7.71003532409668, 0.125341817736626, 40.2019996643066, 90.3030014038086, 1.0, 0.931282341480255, 0.260160833597183, 163.822402954102, 16.4288330078125, 0.0, 0.827904641628265, 0.172095358371735
-InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, -0.388896077871323, 0.81161642074585, 144.827209472656, 302.250762939453, 56.425048828125, -0.0457137227058411, 0.0562754459679127, 157.423553466797, -173.86686706543, 362.855804443359, 64.7490539550781, 536.722717285156, -20.4375991821289, 25.1595115661621, 390.652923583984, 0.258128225803375, -77.732048034668, 45.597110748291, 13.7144842147827, -9.13720035552979, 0.126208513975143, 3.6020872592926, 0.103372484445572, 32.1235160827637, 135.129653930664, 2.0, 0.873791456222534, 3.1192102432251, 162.224838256836, 11.2482633590698, 2.0, 0.323941737413406, 0.676058292388916
-InChI%3D1S%2FC13H13N3O%2Fc1-17-13-9-11%287-8-12%2813%2914%2916-15-10-5-3-2-4-6-10%2Fh2-9H%2C14H2%2C1H3%2Fb16-15%2B, -0.461175501346588, 0.811752021312714, 179.646224975586, 316.209747314453, 33.2153129577637, -0.0474394373595715, 0.044188354164362, 136.563522338867, -228.676620483398, 402.512084960938, 89.0786514282227, 631.188720703125, -23.5231285095215, 21.911060333252, 462.640655517578, 0.272582799196243, -113.390670776367, 45.4341888427734, 16.787691116333, -11.664083480835, 0.0669858083128929, 3.57867336273193, 0.0975557118654251, 35.6503105163574, 156.794494628906, 3.0, 0.933014214038849, 1.75456142425537, 199.588027954102, 10.8647298812866, 1.0, 0.362295180559158, 0.637704849243164
-InChI%3D1S%2FC2H8N2.ClH%2Fc1-2-4-3%3B%2Fh4H%2C2-3H2%2C1H3%3B1H, , , , , , , , , , , , , , , , , , , 8.93886280059814, , , , , 13.9011373519897, , 2.0, , , , , 2.0, , 
-InChI%3D1S%2FC9H10O2%2Fc1-8%2810%2911-7-9-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3, -0.35123273730278, 0.545899629592896, 152.867111206055, 237.592041015625, 71.7610473632812, -0.0583324208855629, 0.0358389355242252, 84.7249221801758, -137.142044067383, 213.151519775391, 59.6883659362793, 350.293548583984, -22.7764282226562, 13.9936399459839, 318.698120117188, 0.346717715263367, -53.5483665466309, 36.7700691223145, 13.8060703277588, -8.89326477050781, 0.183786302804947, 4.48285388946533, 0.288289874792099, 24.111930847168, 92.7699890136719, 2.0, 0.816213726997375, 2.3300461769104, 83.2269592285156, 5.46394491195679, 0.0, 0.391506046056747, 0.608493983745575
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-InChI%3D1S%2FC12H9NO2%2Fc14-13%2815%2911-7-6-9-5-4-8-2-1-3-10%2811%2912%288%299%2Fh1-3%2C6-7H%2C4-5H2, -0.230456829071045, 0.430769622325897, 147.841751098633, 276.345611572266, 0.0, -0.0334394909441471, 0.029814837500453, 128.503860473633, -97.7568740844727, 182.727035522461, 62.7126045227051, 280.483917236328, -14.184609413147, 12.6470775604248, 424.187377929688, 0.1916214376688, -41.4672317504883, 26.8316860198975, 13.2812767028809, -6.01693201065063, 0.0, 7.44356775283813, 0.196880087256432, 31.1587238311768, 117.222320556641, 0.0, 1.0, 1.11449038982391, 77.510498046875, 5.36473035812378, 0.0, 0.348529368638992, 0.65147066116333
-InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2, -0.174617379903793, 0.109022557735443, 176.048965454102, 109.916374206543, 0.0, -0.0873086899518967, 0.0181178562343121, -66.1325836181641, -49.9345169067383, 31.1766738891602, 50.3438987731934, 81.1111907958984, -24.9672584533691, 5.18107891082764, 285.96533203125, 0.5, -14.279541015625, 30.1483364105225, 6.95282793045044, -7.1397705078125, 0.0, 44.6537132263184, 0.168603703379631, 12.2871723175049, 31.4322738647461, 0.0, 1.0, 0.535538256168365, 8.91544818878174, 1.48160898685455, 0.0, 0.615630447864532, 0.38436958193779
-InChI%3D1S%2FCo.H2O4S.7H2O%2Fc%3B1-5%282%2C3%294%3B%3B%3B%3B%3B%3B%3B%2Fh%3B%28H2%2C1%2C2%2C3%2C4%29%3B7%2A1H2%2Fq%2B2%3B%3B%3B%3B%3B%3B%3B%3B%2Fp-2, , , , , , , , , , , , , , , , , , , 10.2848978042603, , , , , 28.5571022033691, , 11.0, , , , , 7.0, , 
-InChI%3D1S%2FC15H9NO4%2Fc1-8-6-7-11-12%2813%288%2916%2819%2920%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C1H3, -0.574712455272675, 0.639709293842316, 239.67399597168, 266.779815673828, 56.3311958312988, -0.0624939538538456, 0.0360700488090515, 27.1058254241943, -291.065307617188, 323.983215332031, 121.383811950684, 615.048522949219, -31.6503028869629, 18.2678146362305, 450.122619628906, 0.236823976039886, -147.411148071289, 49.9181175231934, 13.0108633041382, -16.0294170379639, 0.111226715147495, 8.42385292053223, 0.161840945482254, 36.7091369628906, 135.111663818359, 2.0, 0.888773262500763, 1.0077565908432, 164.082550048828, 9.25180435180664, 0.0, 0.473239600658417, 0.526760399341583
-InChI%3D1S%2FC16H17NO2%2Fc1-18-15-9-10-16%2819-2%2913%2811-15%296-3-12-4-7-14%2817%298-5-12%2Fh3-11H%2C17H2%2C1-2H3%2Fb6-3%2B, -0.322115004062653, 1.08171665668488, 144.988037109375, 486.894348144531, 60.2653694152832, -0.0371787585318089, 0.0499480701982975, 341.906311035156, -203.538787841797, 683.517700195312, 91.6153869628906, 887.056457519531, -23.492603302002, 31.5613040924072, 571.617004394531, 0.248343825340271, -128.612579345703, 55.0539054870605, 21.756519317627, -14.8445615768433, 0.0953743457794189, 7.05840492248535, 0.0884008780121803, 42.1994819641113, 307.659942626953, 1.0, 0.904625654220581, 2.71438455581665, 431.902770996094, 19.9430313110352, 1.0, 0.229454159736633, 0.770545840263367
-InChI%3D1S%2FC13H13N3.C2H4O2%2Fc1-7-12-11%288%282%2915-13%287%2914%299-5-3-4-6-10%289%2916-12%3B1-2%283%294%2Fh3-6%2C16H%2C1-2H3%2C%28H2%2C14%2C15%29%3B1H3%2C%28H%2C3%2C4%29, , , , , , , , , , , , , , , , , , , 22.6157264709473, , , , , 43.3062744140625, , 5.0, , , , , 3.0, , 
-InChI%3D1S%2FC6H4ClNO2%2Fc7-5-3-1-2-4-6%285%298%289%2910%2Fh1-4H, -0.361537218093872, 0.2034762352705, 232.217712402344, 130.694122314453, 0.0, -0.0663346871733665, 0.0240261480212212, -101.523590087891, -131.206130981445, 73.8439331054688, 84.2745513916016, 205.050064086914, -24.0736408233643, 8.71937274932861, 362.911834716797, 0.226421847939491, -47.6162567138672, 32.7930145263672, 6.048828125, -8.73660945892334, 0.0, 14.8866147994995, 0.267208397388458, 18.1111717224121, 47.4304389953613, 0.0, 1.0, 1.15966153144836, 26.7988376617432, 3.16436362266541, 0.0, 0.639873623847961, 0.360126376152039
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-InChI%3D1S%2FC20H12%2Fc1-2-7-17-15%284-1%2912-16-9-8-13-5-3-6-14-10-11-18%2817%2920%2816%2919%2813%2914%2Fh1-12H, -0.358803927898407, 0.3885158598423, 262.753479003906, 284.511657714844, 0.0, -0.0215975791215897, 0.0323457643389702, 21.7581806182861, -196.360870361328, 212.621200561523, 143.795822143555, 408.982086181641, -11.8196020126343, 17.7017097473145, 547.26513671875, 0.0818469971418381, -107.461463928223, 29.5213108062744, 13.118483543396, -6.46845626831055, 0.0, 1.09651446342468, 0.0842571407556534, 43.2015151977539, 155.703323364258, 0.0, 1.0, 1.50420010089874, 116.360168457031, 9.68752861022949, 0.0, 0.480120986700058, 0.51987898349762
-InChI%3D1S%2FC8H6N4O4S%2Fc13-4-9-11-8-10-5%283-17-8%296-1-2-7%2816-6%2912%2814%2915%2Fh1-4H%2C%28H%2C9%2C13%29%28H%2C10%2C11%29, , , , , , , , , , , , , , , , , , , 13.9912424087524, , , , , 28.5887584686279, , 4.0, , , , , 2.0, , 
-InChI%3D1S%2FC2H3Cl3%2Fc3-1-2%284%295%2Fh2H%2C1H2, -0.273067116737366, 0.18311171233654, 218.989944458008, 146.848968505859, 0.0, -0.0908041968941689, 0.0347721725702286, -72.140983581543, -99.8985824584961, 66.9893951416016, 80.1150512695312, 166.887969970703, -33.2197113037109, 12.7210140228271, 365.838928222656, 0.371445685625076, -36.5467910766602, 45.9407234191895, 4.53962087631226, -12.1530628204346, 0.0, 25.9774417877197, 0.390548408031464, 12.0603790283203, 53.7230682373047, 0.0, 1.0, 9.997727394104, 24.5073280334473, 4.65384197235107, 0.0, 0.598596632480621, 0.401403367519379
-InChI%3D1S%2FC15H12N2O2%2Fc18-13-15%2817-14%2819%2916-13%2C11-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H%2C%28H2%2C16%2C17%2C18%2C19%29, -0.76518714427948, 0.92153388261795, 257.958862304688, 310.666229248047, 151.80322265625, -0.0684842467308044, 0.0584036335349083, 52.7073822021484, -435.104614257812, 524.007263183594, 146.681884765625, 959.111877441406, -38.9418601989746, 33.2097702026367, 416.821868896484, 0.204854264855385, -247.411407470703, 72.1516342163086, 15.7584838867188, -22.1433200836182, 0.266965419054031, 5.93319511413574, 0.156459599733353, 38.2055168151855, 176.652618408203, 4.0, 0.733034610748291, 2.20927906036377, 297.963684082031, 18.8839092254639, 2.0, 0.453653663396835, 0.546346366405487
-InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920-3%2921-15-10-6-13%287-11-15%2912-4-8-14%2818%299-5-12%2Fh4-11H%2C1-3H3, -0.545620858669281, 0.924551486968994, 217.760620117188, 368.994171142578, 39.4040870666504, -0.0416990853846073, 0.0311966110020876, 151.233551025391, -320.145629882812, 542.484985351562, 127.772079467773, 862.630615234375, -24.4671363830566, 18.304759979248, 547.350708007812, 0.223976761102676, -187.846984863281, 42.7718963623047, 23.7945194244385, -14.3562097549438, 0.0671559721231461, 0.988683640956879, 0.199655324220657, 45.841480255127, 216.509094238281, 2.0, 0.932844042778015, 0.0376733429729939, 318.3056640625, 10.7404050827026, 0.0, 0.371127128601074, 0.628872871398926
-InChI%3D1S%2FC7H3Cl5O%2Fc1-13-7-5%2811%293%289%292%288%294%2810%296%287%2912%2Fh1H3, -0.698672890663147, 0.274429202079773, 311.298370361328, 122.273765563965, 14.2963895797729, -0.0974945724010468, 0.0225294567644596, -189.024612426758, -302.925079345703, 118.984855651855, 134.970306396484, 421.909942626953, -42.2709312438965, 9.76814460754395, 419.275756835938, 0.354042232036591, -131.339874267578, 52.0390739440918, 7.29562091827393, -18.3274974822998, 0.0329734981060028, 5.06152582168579, 0.135009005665779, 26.0223789215088, 53.0144958496094, 0.0, 0.967026472091675, 0.560452342033386, 51.5885162353516, 4.23519515991211, 0.0, 0.717985212802887, 0.282014816999435
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-InChI%3D1S%2FC10H17Cl2NOS%2Fc1-7%282%2913%288%283%294%2910%2814%2915-6-9%2812%295-11%2Fh5%2C7-8H%2C6H2%2C1-4H3, -0.369339466094971, 0.659946382045746, 191.188049316406, 341.620300292969, 27.6924266815186, -0.0496166311204433, 0.0243487376719713, 150.432250976562, -196.787139892578, 351.624908447266, 101.866584777832, 548.412048339844, -26.4361534118652, 12.9732103347778, 505.115905761719, 0.259790331125259, -104.849830627441, 39.4093627929688, 24.6425189971924, -14.0854034423828, 0.0519744642078876, 6.45892000198364, 0.25451523065567, 38.0974807739258, 182.018127441406, 2.0, 0.948025524616241, 0.720374405384064, 187.348693847656, 6.91223478317261, 0.0, 0.358830809593201, 0.641169190406799
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-InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, -0.200360476970673, 0.431144595146179, 79.0854873657227, 170.1796875, 91.3350524902344, -0.0872416794300079, 0.0699945837259293, 91.0941925048828, -49.9428863525391, 107.469337463379, 19.7132568359375, 157.412216186523, -21.7463111877441, 17.4472122192383, 157.930114746094, 0.552041709423065, -12.4490222930908, 39.1935234069824, 5.46603488922119, -5.42059803009033, 0.366417199373245, 17.9539775848389, 0.346942931413651, 8.75596523284912, 42.4198684692383, 2.0, 0.633582770824432, 7.62136220932007, 26.7883625030518, 4.34898233413696, 2.0, 0.317274510860443, 0.682725489139557
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-InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2, -0.192325323820114, 0.570690453052521, 70.8269348144531, 210.166061401367, 117.017776489258, -0.0958565101027489, 0.0716309547424316, 139.339126586914, -54.0420722961426, 160.36003112793, 19.9018745422363, 214.402099609375, -26.9350090026855, 20.1277980804443, 163.975234985352, 0.515052974224091, -15.1854438781738, 47.0628089904785, 8.47524166107178, -7.56854915618896, 0.416443735361099, 16.3109531402588, 0.275024473667145, 10.8847579956055, 59.0551948547363, 2.0, 0.583556294441223, 12.7036104202271, 45.0600471496582, 5.65577030181885, 1.0, 0.252059429883957, 0.747940599918365
-InChI%3D1S%2FC10H12O2%2Fc1-3-10%2811%298-4-6-9%2812-2%297-5-8%2Fh3-7%2C10-11H%2C1H2%2C2H3, -0.331723093986511, 0.744519650936127, 125.420097351074, 281.492980957031, 67.7690887451172, -0.0546818599104881, 0.0476901084184647, 156.072891235352, -134.982467651367, 302.954803466797, 51.0350761413574, 437.937255859375, -22.2507648468018, 19.4057292938232, 339.143981933594, 0.356545984745026, -54.9261322021484, 41.656494140625, 15.0344839096069, -9.05412673950195, 0.166544377803802, 10.2149496078491, 0.196094557642937, 27.2055168151855, 114.543174743652, 1.0, 0.833455622196198, 4.06905651092529, 123.276268005371, 7.89644527435303, 1.0, 0.308223307132721, 0.691776692867279
-InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3, -0.116916842758656, 0.148423328995705, 108.162727355957, 137.310180664062, 0.0, -0.0584584213793278, 0.0268079321831465, 29.1474514007568, -28.6999168395996, 36.4339065551758, 26.5510196685791, 65.1338272094727, -14.3499584197998, 6.58062124252319, 245.472900390625, 0.5, -7.04505205154419, 20.9305801391602, 4.53562116622925, -3.52252602577209, 0.0, 26.4853439331055, 0.333176523447037, 6.46437883377075, 33.7059288024902, 0.0, 1.0, 4.1283130645752, 8.94353675842285, 1.61536419391632, 0.0, 0.440629988908768, 0.55936998128891
-InChI%3D1S%2FC12H11N3.C2H4O2%2Fc1-7-6-9-8-4-2-3-5-10%288%2914-12%289%2915-11%287%2913%3B1-2%283%294%2Fh2-6H%2C1H3%2C%28H3%2C13%2C14%2C15%29%3B1H3%2C%28H%2C3%2C4%29, , , , , , , , , , , , , , , , , , , 20.4293117523193, , , , , 40.2126884460449, , 5.0, , , , , 3.0, , 
-InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29, -0.277807921171188, 0.684279382228851, 78.2551116943359, 192.753173828125, 67.6816864013672, -0.0732632279396057, 0.0925912335515022, 114.498062133789, -75.2882461547852, 185.445373535156, 21.2077827453613, 260.733612060547, -19.8549423217773, 25.0929927825928, 203.326599121094, 0.288775503635406, -20.4037380218506, 44.9479331970215, 7.21924209594727, -5.3808536529541, 0.249740287661552, 11.3033313751221, 0.196890890598297, 11.9207582473755, 52.2377052307129, 4.0, 0.750259697437286, 7.81399965286255, 50.2572326660156, 6.80040836334229, 4.0, 0.288755416870117, 0.711244583129883
-InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3, -0.0603108443319798, 0.461000919342041, 28.0092620849609, 214.095748901367, 28.0092620849609, -0.0303155109286308, 0.052670419216156, 186.086486816406, -14.6015577316284, 111.610626220703, 6.78118228912354, 126.212188720703, -7.33953714370728, 12.7517719268799, 214.095748901367, 0.515679061412811, -3.53511023521423, 20.09130859375, 8.74565601348877, -1.77693867683411, 0.115690551698208, 8.44452953338623, 0.263350993394852, 11.0543441772461, 51.8336524963379, 2.0, 0.884309470653534, 6.19871854782104, 27.0214920043945, 3.08726787567139, 1.0, 0.115690551698208, 0.884309470653534
-InChI%3D1S%2FC19H17N3.ClH%2Fc20-16-7-1-13%282-8-16%2919%2814-3-9-17%2821%2910-4-14%2915-5-11-18%2822%2912-6-15%3B%2Fh1-12%2C20H%2C21-22H2%3B1H, , , , , , , , , , , , , , , , , , , 18.7777252197266, , , , , 50.9222755432129, , 3.0, , , , , 3.0, , 
-InChI%3D1S%2FC14H7ClF3NO5%2Fc15-10-5-7%2814%2816%2C17%2918%291-4-12%2810%2924-8-2-3-11%2819%2822%2923%299%286-8%2913%2820%2921%2Fh1-6H%2C%28H%2C20%2C21%29, -1.27512359619141, 0.670790314674377, 447.455749511719, 235.388153076172, 154.313491821289, -0.0969970896840096, 0.0431852340698242, -212.067596435547, -870.710388183594, 458.045074462891, 305.542419433594, 1328.75549316406, -66.2338714599609, 29.4887752532959, 528.530395507812, 0.168365985155106, -594.559265136719, 95.7226486206055, 15.8114490509033, -45.2273979187012, 0.225986480712891, 4.39210271835327, 0.214147239923477, 38.2685508728027, 160.733367919922, 2.0, 0.774013519287109, 0.0, 312.773284912109, 20.13623046875, 1.0, 0.655282616615295, 0.344717353582382
-InChI%3D1S%2FC12H12N4%2Fc1-7-6-9-8%284-3-5-14-9%2910-11%287%2916%282%2912%2813%2915-10%2Fh3-6H%2C1-2H3%2C%28H2%2C13%2C15%29, -0.386450469493866, 0.790594220161438, 139.222137451172, 284.818420410156, 82.1428298950195, -0.0561638996005058, 0.0430812239646912, 145.596298217773, -163.870666503906, 335.244018554688, 59.035831451416, 499.114685058594, -23.8157711029053, 18.2681865692139, 341.897735595703, 0.23630228638649, -69.4878082275391, 42.0839576721191, 17.078483581543, -10.0988531112671, 0.193714559078217, 11.6922569274902, 0.160922482609749, 33.5215148925781, 120.774566650391, 4.0, 0.806285440921783, 2.49195432662964, 142.15705871582, 7.74645185470581, 2.0, 0.328322678804398, 0.67167729139328
-InChI%3D1S%2FC9H10N4S%2Fc10-7-3-1-6%282-4-7%298-5-14-9%2812-8%2913-11%2Fh1-5H%2C10-11H2%2C%28H%2C12%2C13%29, -0.485653191804886, 0.956795334815979, 148.048141479492, 291.672698974609, 70.9803619384766, -0.0575136877596378, 0.0603887401521206, 143.624557495117, -213.551818847656, 420.722839355469, 65.099853515625, 634.274658203125, -25.289966583252, 26.5541877746582, 368.740478515625, 0.209673345088959, -93.9031829833984, 51.8441543579102, 16.2648983001709, -11.1205253601074, 0.161421418190002, 4.57596397399902, 0.0993306338787079, 32.4751014709473, 128.25456237793, 4.0, 0.838578581809998, 2.02380275726318, 185.000595092773, 11.6764297485352, 4.0, 0.336686670780182, 0.663313329219818
-InChI%3D1S%2FC7H10N2%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C8-9H2%2C1H3, -0.208073109388351, 0.594027161598206, 86.5583419799805, 247.115097045898, 37.8758277893066, -0.0402693822979927, 0.0550087243318558, 160.556747436523, -69.428466796875, 198.211090087891, 28.8822174072266, 267.639556884766, -13.4368238449097, 18.3549499511719, 295.797607421875, 0.377007991075516, -23.1664352416992, 31.7917747497559, 9.61207008361816, -4.48351097106934, 0.11351166665554, 7.77266120910645, 0.154730126261711, 21.1879291534424, 82.4557418823242, 2.0, 0.886488318443298, 3.27918362617493, 66.1377716064453, 6.12455940246582, 2.0, 0.259410351514816, 0.740589678287506
-InChI%3D1S%2FC6H8N2.2ClH%2Fc7-5-3-1-2-4-6%285%298%3B%3B%2Fh1-4H%2C7-8H2%3B2%2A1H, , , , , , , , , , , , , , , , , , , 10.4520702362061, , , , , 23.7879295349121, , 2.0, , , , , 2.0, , 
-InChI%3D1S%2FC12H14N4.4ClH%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%3B%3B%3B%3B%2Fh1-6H%2C13-16H2%3B4%2A1H, , , , , , , , , , , , , , , , , , , 18.7177257537842, , , , , 46.2422752380371, , 4.0, , , , , 4.0, , 
-InChI%3D1S%2FC12HBr9%2Fc13-2-1-3%2814%296%2815%297%2816%294%282%295-8%2817%2910%2819%2912%2821%2911%2820%299%285%2918%2Fh1H, -0.819967687129974, 0.0750934481620789, 576.3037109375, 52.7784614562988, 0.0, -0.0869176089763641, 0.00650938367471099, -523.525268554688, -515.827087402344, 47.2399520874023, 362.542419433594, 563.067016601562, -54.6783218383789, 4.09493732452393, 629.082214355469, 0.110931016504765, -324.497619628906, 58.7732582092285, 12.7032070159912, -34.397159576416, 0.0, 7.8472957611084, 0.107774540781975, 49.2367935180664, 33.2019920349121, 0.0, 1.0, 0.671094059944153, 29.7178115844727, 2.57605218887329, 0.0, 0.916102468967438, 0.0838975608348846
-InChI%3D1S%2FC7H8N2O%2Fc8-9-7%2810%296-4-2-1-3-5-6%2Fh1-5H%2C8H2%2C%28H%2C9%2C10%29, -0.426182270050049, 0.605891108512878, 156.089157104492, 221.907470703125, 86.1924514770508, -0.0716475620865822, 0.0635795146226883, 65.8183212280273, -161.095474243164, 229.024810791016, 59.0011749267578, 390.120269775391, -27.0825366973877, 24.0328426361084, 291.804168701172, 0.332759171724319, -60.8935432434082, 51.1153793334961, 8.08565616607666, -10.2371072769165, 0.228024378418922, 9.44817352294922, 0.212690487504005, 20.656343460083, 83.8802795410156, 3.0, 0.771975636482239, 5.09567642211914, 86.5706024169922, 9.0843334197998, 2.0, 0.412937939167023, 0.587062060832977
-InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H, -0.276034027338028, 0.507577419281006, 126.768676757812, 233.105026245117, 107.207618713379, -0.0609642378985882, 0.054149754345417, 106.336349487305, -99.3373870849609, 182.663772583008, 45.6207160949707, 282.001159667969, -21.9394264221191, 19.4870738983154, 252.666091918945, 0.354353904724121, -35.7489128112793, 41.4265022277832, 11.6196556091309, -7.89542293548584, 0.297903448343277, 7.11457538604736, 0.340491086244583, 22.7783432006836, 83.8883743286133, 1.0, 0.702096581459045, 12.1642713546753, 65.7358856201172, 7.01288557052612, 0.0, 0.352258801460266, 0.647741198539734
-InChI%3D1S%2FC6H7ClN2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H%2C8-9H2, -0.352858573198318, 0.474046289920807, 141.444839477539, 190.023452758789, 33.4874153137207, -0.0621903538703918, 0.0536097921431065, 48.5786094665527, -116.961433410645, 157.131317138672, 46.8844795227051, 274.092742919922, -20.6141300201416, 17.769947052002, 297.980895996094, 0.364190459251404, -38.7690048217773, 38.3840751647949, 6.75244903564453, -6.83293056488037, 0.101027503609657, 4.75174856185913, 0.150138646364212, 19.607551574707, 62.9867515563965, 2.0, 0.898972511291504, 2.68034934997559, 52.0840492248535, 5.89017391204834, 2.0, 0.426722079515457, 0.57327789068222
-InChI%3D1S%2FH4N2.H2O4S%2Fc1-2%3B1-5%282%2C3%294%2Fh1-2H2%3B%28H2%2C1%2C2%2C3%2C4%29, , , , , , , , , , , , , , , , , , , 10.3952417373657, , , , , 12.3087577819824, , 6.0, , , , , 4.0, , 
-InChI%3D1S%2FC18H16N2O7S2.2Na%2Fc1-10-3-6-15%2811%282%297-10%2919-20-17-14-5-4-13%2828%2822%2C23%2924%298-12%2814%299-16%2818%2817%2921%2929%2825%2C26%2927%3B%3B%2Fh3-9%2C21H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb20-19%2B%3B%3B, , , , , , , , , , , , , , , , , , , 31.49289894104, , , , , 101.8291015625, , 8.0, , , , , 1.0, , 
-InChI%3D1S%2FC6H12N2O%2Fc9-7-8-5-3-1-2-4-6-8%2Fh1-6H2, -0.0965748652815819, 0.37673681974411, 72.7290420532227, 283.714691162109, 0.0, -0.0222442038357258, 0.0254917200654745, 210.985641479492, -34.4235038757324, 134.285461425781, 25.9238090515137, 168.708969116211, -7.9288067817688, 9.08636379241943, 356.443725585938, 0.344212561845779, -12.2700414657593, 17.0151710510254, 14.7364835739136, -2.82617354393005, 0.0, 2.12895846366882, 0.0949890539050102, 21.5635166168213, 101.128318786621, 1.0, 1.0, 2.20011615753174, 47.8652114868164, 3.23877716064453, 0.0, 0.204040735960007, 0.795959234237671
-InChI%3D1S%2FC6H14%2Fc1-3-5-6-4-2%2Fh3-6H2%2C1-2H3, -0.0197901092469692, 0.327896118164062, 18.0515251159668, 299.090087890625, 0.0, -0.00363087258301675, 0.023132523521781, 281.03857421875, -6.27626705169678, 103.98950958252, 5.72489023208618, 110.265777587891, -1.15150082111359, 7.33628559112549, 317.141632080078, 0.187427252531052, -1.99046552181244, 8.48778629302979, 15.3048982620239, -0.365188807249069, 0.0, 1.47947788238525, 0.0759071484208107, 19.8951015472412, 94.8539123535156, 0.0, 1.0, 1.18553042411804, 32.9794006347656, 2.32664155960083, 0.0, 0.0569194480776787, 0.943080544471741
-InChI%3D1S%2FC6H8N2.ClH%2Fc7-8-6-4-2-1-3-5-6%3B%2Fh1-5%2C8H%2C7H2%3B1H, , , , , , , , , , , , , , , , , , , 8.93886280059814, , , , , 20.9411373138428, , 2.0, , , , , 2.0, , 
-InChI%3D1S%2FC4H6O2%2Fc1-3-6-4%282%295%2Fh3H%2C1H2%2C2H3, -0.189074531197548, 0.438647419214249, 94.0387268066406, 218.167114257812, 69.4144287109375, -0.0618737787008286, 0.038886796683073, 124.128395080566, -59.0301742553711, 136.948287963867, 29.3594398498535, 195.978469848633, -19.3173542022705, 12.1406850814819, 242.791412353516, 0.456663727760315, -18.4295654296875, 31.4580402374268, 9.43324184417725, -6.0309910774231, 0.222335457801819, 9.11669063568115, 0.418607264757156, 12.6447582244873, 68.1130447387695, 2.0, 0.777664542198181, 3.08052444458008, 42.7560577392578, 3.79039287567139, 0.0, 0.301207453012466, 0.698792576789856
-InChI%3D1S%2FC4H10N2O%2Fc1-2-3-6%285%294-7%2Fh4H%2C2-3%2C5H2%2C1H3, -0.189429506659508, 0.648459911346436, 70.9424667358398, 242.85205078125, 86.3582611083984, -0.057105977088213, 0.0575072467327118, 171.909591674805, -59.4419403076172, 203.483169555664, 22.2613563537598, 262.925109863281, -17.9195423126221, 18.0454578399658, 227.436248779297, 0.338021546602249, -18.6525554656982, 35.9650001525879, 11.8900699615479, -5.62305402755737, 0.275206387042999, 15.55637550354, 0.241918325424194, 16.7099304199219, 76.2056427001953, 3.0, 0.724793612957001, 6.01032400131226, 63.8519020080566, 5.6625657081604, 1.0, 0.226079359650612, 0.773920655250549
-InChI%3D1S%2FC13H12Cl2N2.2ClH%2Fc14-10-6-8%281-3-12%2810%2916%295-9-2-4-13%2817%2911%2815%297-9%3B%3B%2Fh1-4%2C6-7H%2C5%2C16-17H2%3B2%2A1H, , , , , , , , , , , , , , , , , , , 15.6648979187012, , , , , 43.1351013183594, , 2.0, , , , , 2.0, , 
-InChI%3D1S%2FC6H5N2O2.H3N%2Fc9-7-8%2810%296-4-2-1-3-5-6%3B%2Fh1-5H%3B1H3%2Fq-1%3B%2Fp%2B1, , , , , , , , , , , , , , , , , , , 8.45486259460449, , , , , 21.4651374816895, , 0.0, , , , , 1.0, , 
-InChI%3D1S%2FC27H44O6%2Fc1-15%2820%2828%298-9-24%282%2C3%2932%2916-7-11-27%2833%2918-12-21%2829%2919-13-22%2830%2923%2831%2914-25%2819%2C4%2917%2818%296-10-26%2816%2C27%295%2Fh12%2C15-17%2C19-20%2C22-23%2C28%2C30-33H%2C6-11%2C13-14H2%2C1-5H3%2Ft15-%2C16%2B%2C17-%2C19-%2C20%2B%2C22%2B%2C23%3F%2C25%3F%2C26%2B%2C27%2B%2Fm0%2Fs1, -0.633527874946594, 2.20161318778992, 174.173110961914, 605.280090332031, 200.326187133789, -0.0609662607312202, 0.0413948260247707, 431.106994628906, -493.805358886719, 1716.05456542969, 135.759796142578, 2209.85986328125, -47.5203475952148, 32.2653312683105, 579.127075195312, 0.13845020532608, -384.898162841797, 79.7856826782227, 49.0591087341309, -37.0398902893066, 0.257008612155914, 0.0, 0.0744908526539803, 81.6708908081055, 471.787536621094, 6.0, 0.742991387844086, 1.25074863433838, 1337.58422851562, 25.1493167877197, 5.0, 0.223455503582954, 0.776544511318207
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-InChI%3D1S%2FC26H34O6%2Fc1-25%282%2C23%2827%2928%2914-8-16-31-20-12-13-22%2821%2818-20%2919-10-6-5-7-11-19%2932-17-9-15-26%283%2C4%2924%2829%2930%2Fh5-7%2C10-13%2C18H%2C8-9%2C14-17H2%2C1-4H3%2C%28H%2C27%2C28%29%28H%2C29%2C30%29, -0.753775060176849, 1.84892523288727, 241.791519165039, 593.087341308594, 168.387191772461, -0.0500241219997406, 0.0394764617085457, 351.295806884766, -629.310852050781, 1543.62854003906, 201.866638183594, 2172.939453125, -41.7640838623047, 32.958065032959, 666.491638183594, 0.132708176970482, -525.398315429688, 74.7221450805664, 42.9170379638672, -34.8679504394531, 0.201690569519997, 0.767213761806488, 0.101643837988377, 73.2429656982422, 495.156066894531, 4.0, 0.798309445381165, 0.882251024246216, 1288.74279785156, 27.5159912109375, 2.0, 0.289612710475922, 0.710387289524078
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-InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2, -0.335362941026688, 0.173341244459152, 187.657806396484, 96.9959182739258, 0.0, -0.111809693276882, 0.0183328203856945, -90.6618804931641, -95.4623107910156, 49.3422317504883, 53.4174919128418, 144.804534912109, -31.8270454406738, 5.21850538253784, 284.653717041016, 0.336679548025131, -27.1737022399902, 37.0455513000488, 6.72603511810303, -9.0596866607666, 0.0, 21.8762626647949, 0.192337721586227, 15.1539649963379, 27.6102504730225, 0.0, 1.0, 0.0, 14.0454502105713, 1.48546695709229, 0.0, 0.659249424934387, 0.340750575065613
-InChI%3D1S%2FCH4.ClH.Hg%2Fh1H4%3B1H%3B%2Fq%3B%3B%2B1%2Fp-1, , , , , , , , , , , , , , , , , , , 9.40603542327881, , , , , 12.9739646911621, , 0.0, , , , , 0.0, , 
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-InChI%3D1S%2FC6H6ClN.ClH%2Fc7-4-6-2-1-3-8-5-6%3B%2Fh1-3%2C5H%2C4H2%3B1H, , , , , , , , , , , , , , , , , , , 9.81244945526123, , , , , 20.6875514984131, , 1.0, , , , , 0.0, , 
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-InChI%3D1S%2FC10H10O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh2%2C4-6H%2C1%2C3%2C7H2, -0.320216327905655, 0.661508500576019, 126.184524536133, 260.674194335938, 51.1480407714844, -0.0542898811399937, 0.0442736893892288, 134.489685058594, -123.878479003906, 255.910339355469, 48.8155860900879, 379.788818359375, -21.002513885498, 17.1276626586914, 335.710693359375, 0.321401596069336, -47.923469543457, 38.1301765441895, 14.7640695571899, -8.1250057220459, 0.132213741540909, 8.38428783416748, 0.162219822406769, 25.8719291687012, 100.844093322754, 0.0, 0.867786228656769, 0.64280092716217, 99.0011444091797, 6.62598609924316, 0.0, 0.326177269220352, 0.67382276058197
-InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2, -0.428311109542847, 0.58519458770752, 222.270645141602, 303.684814453125, 33.8861503601074, -0.0454792156815529, 0.0438387431204319, 81.4141616821289, -225.272552490234, 307.786254882812, 116.904457092285, 533.058837890625, -23.9200401306152, 23.0572242736816, 492.069305419922, 0.305756390094757, -118.483322143555, 46.9772644042969, 12.6080703735352, -12.5808753967285, 0.0644278004765511, 4.3363823890686, 0.122446238994598, 31.869930267334, 159.724670410156, 1.0, 0.93557220697403, 3.69475102424622, 161.881866455078, 12.1270732879639, 1.0, 0.42260354757309, 0.57739645242691
-InChI%3D1S%2FC16H22N4O3%2Fc1-3-6-13-14%289-8-12%2811%282%2921%2916%2813%2922%2923-10-5-4-7-15-17-19-20-18-15%2Fh8-9%2C22H%2C3-7%2C10H2%2C1-2H3%2C%28H%2C17%2C18%2C19%2C20%29, -0.588350117206573, 1.53314447402954, 179.017837524414, 466.491302490234, 94.2678146362305, -0.0523450560867786, 0.0428689755499363, 287.473449707031, -379.785369873047, 989.658752441406, 115.557655334473, 1369.44409179688, -33.7892150878906, 27.6723155975342, 551.241333007812, 0.169479683041573, -245.154922485352, 61.4615287780762, 29.9773826599121, -21.8112449645996, 0.146036371588707, 3.66338086128235, 0.102789171040058, 52.3026161193848, 301.124389648438, 5.0, 0.853963613510132, 0.693541646003723, 638.833740234375, 17.8627338409424, 5.0, 0.277328133583069, 0.722671866416931
-InChI%3D1S%2FC2Cl2%2Fc3-1-2-4, -0.0812801495194435, 0.0504512675106525, 182.396682739258, 113.215148925781, 0.0, -0.0406400747597218, 0.0252256337553263, -69.1815338134766, -24.0273723602295, 14.9139909744263, 53.9186172485352, 38.9413642883301, -12.0136861801147, 7.45699548721313, 295.61181640625, 0.5, -7.10277557373047, 19.470682144165, 0.839999973773956, -3.55138778686523, 0.0, 42.8932113647461, 0.5, 7.88000011444092, 33.4677352905273, 0.0, 1.0, 12.956844329834, 4.40875244140625, 2.20437622070312, 0.0, 0.617014169692993, 0.382985860109329
-InChI%3D1S%2FC5H11NO2S2.K%2Fc7-3-1-6%282-4-8%295%289%2910%3B%2Fh7-8H%2C1-4H2%2C%28H%2C9%2C10%29%3B%2Fq%3B%2B1%2Fp-1, , , , , , , , , , , , , , , , , , , 15.1920700073242, , , , , 67.3719329833984, , 3.0, , , , , 2.0, , 
-InChI%3D1S%2FC18H27NO3%2Fc1-14%282%298-6-4-5-7-9-18%2821%2919-13-15-10-11-16%2820%2917%2812-15%2922-3%2Fh6%2C8%2C10-12%2C14%2C20H%2C4-5%2C7%2C9%2C13H2%2C1-3H3%2C%28H%2C19%2C21%29%2Fb8-6%2B, -0.429262548685074, 1.46546030044556, 165.406311035156, 564.680969238281, 133.658218383789, -0.0451289564371109, 0.0440835691988468, 399.274658203125, -313.399108886719, 1069.91394042969, 120.761039733887, 1383.31298828125, -32.9480781555176, 32.1848526000977, 596.429016113281, 0.188812732696533, -228.808700561523, 65.132926940918, 32.7525901794434, -24.0549716949463, 0.183071568608284, 5.81272315979004, 0.11564339697361, 53.1894111633301, 412.266387939453, 2.0, 0.816928446292877, 3.13899564743042, 781.130493164062, 23.4977512359619, 2.0, 0.226556897163391, 0.773443102836609
-InChI%3D1S%2FC6H11Cl3O3%2Fc7-3-10-1-6%2812-5-9%292-11-4-8%2Fh6H%2C1-5H2, -0.778774261474609, 0.712527215480804, 244.806411743164, 223.981750488281, 28.5643005371094, -0.087269589304924, 0.040866557508707, -20.8246612548828, -365.080169677734, 334.024322509766, 114.762344360352, 699.1044921875, -40.9109497070312, 19.1577587127686, 440.223846435547, 0.238945618271828, -171.145248413086, 60.0687065124512, 19.0332775115967, -19.1785678863525, 0.0609322153031826, 3.0077657699585, 0.0990718379616737, 26.8407230377197, 104.999992370605, 3.0, 0.939067780971527, 0.149552434682846, 156.586639404297, 8.98093032836914, 0.0, 0.522211134433746, 0.477788835763931
-InChI%3D1S%2FC24H12O2%2Fc25-23-17-7-3-1-5-13%2817%2915-9-11-20-22-16%2810-12-19%2823%2921%2815%2922%2914-6-2-4-8-18%2814%2924%2820%2926%2Fh1-12H, -0.531198680400848, 0.844252645969391, 254.665466308594, 404.748748779297, 72.7350234985352, -0.0479079596698284, 0.0428159274160862, 150.083282470703, -350.279968261719, 556.712219238281, 167.930038452148, 906.9921875, -31.5911903381348, 28.2334308624268, 586.67919921875, 0.212748482823372, -230.979583740234, 59.8246231079102, 17.2208976745605, -20.8316802978516, 0.110302470624447, 7.21001386642456, 0.126797273755074, 53.1791038513184, 266.897094726562, 2.0, 0.889697551727295, 2.5759916305542, 367.103942871094, 18.6175270080566, 0.0, 0.386199533939362, 0.613800466060638
-InChI%3D1S%2FC18H22O5%2Fc1-12-6-5-9-14%2819%298-4-2-3-7-13-10-15%2820%2911-16%2821%2917%2813%2918%2822%2923-12%2Fh3%2C7%2C10-12%2C20-21H%2C2%2C4-6%2C8-9H2%2C1H3%2Fb7-3-%2Ft12-%2Fm0%2Fs1, -0.620407700538635, 1.32709956169128, 181.002792358398, 387.178833007812, 172.703353881836, -0.0741594880819321, 0.0412013977766037, 206.176055908203, -352.504241943359, 754.033630371094, 102.842460632324, 1106.53784179688, -42.136058807373, 23.4098777770996, 395.478271484375, 0.185140937566757, -200.286437988281, 65.5459365844727, 27.8825531005859, -23.9409351348877, 0.303957998752594, 6.40094089508057, 0.152196690440178, 50.359447479248, 219.987915039062, 3.0, 0.696042001247406, 0.0, 428.428039550781, 13.3010625839233, 2.0, 0.318565011024475, 0.681434988975525
-InChI%3D1S%2FC14H16N2O2.2ClH%2Fc1-17-13-7-9%283-5-11%2813%2915%2910-4-6-12%2816%2914%288-10%2918-2%3B%3B%2Fh3-8H%2C15-16H2%2C1-2H3%3B2%2A1H, , , , , , , , , , , , , , , , , , , 23.0297260284424, , , , , 44.8062744140625, , 2.0, , , , , 2.0, , 
-InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3, -0.137351602315903, 0.503915011882782, 78.4027938842773, 287.643859863281, 17.6125545501709, -0.0216790828853846, 0.0378336720168591, 209.241073608398, -50.2770957946777, 184.456405639648, 28.6990814208984, 234.733505249023, -7.93555593490601, 13.8488893508911, 348.434112548828, 0.471282511949539, -18.4037628173828, 21.78444480896, 13.5516910552979, -2.90478372573853, 0.0481155961751938, 8.30048847198486, 0.19353649020195, 25.6083087921143, 105.291076660156, 1.0, 0.951884388923645, 4.09304094314575, 67.5196533203125, 5.06933975219727, 1.0, 0.214187979698181, 0.785812020301819
-InChI%3D1S%2FC2H5N3O2%2Fc1-5%284-7%292%283%296%2Fh1H3%2C%28H2%2C3%2C6%29, -0.385562747716904, 0.441148191690445, 127.223243713379, 145.564651489258, 100.720947265625, -0.107442297041416, 0.0429893508553505, 18.3414039611816, -105.176849365234, 120.339889526367, 34.7049598693848, 225.516738891602, -29.3089580535889, 11.7269744873047, 172.066940307617, 0.404590845108032, -28.6909713745117, 41.0359344482422, 7.08403491973877, -7.99512910842896, 0.369228065013885, 12.7436504364014, 0.281978189945221, 11.7579650878906, 39.7082748413086, 3.0, 0.630771934986115, 1.64054918289185, 32.8272666931152, 3.19897675514221, 2.0, 0.466381579637527, 0.533618450164795
-InChI%3D1S%2FC15H15N3O2%2Fc1-10-3-8-15%2820%2914%289-10%2918-17-13-6-4-12%285-7-13%2916-11%282%2919%2Fh3-9%2C20H%2C1-2H3%2C%28H%2C16%2C19%29%2Fb18-17%2B, -0.506654322147369, 1.06212282180786, 189.900848388672, 398.097900390625, 122.988677978516, -0.048723790794611, 0.0504979230463505, 208.197067260742, -297.912078857422, 624.526916503906, 111.661460876465, 922.43896484375, -28.6495265960693, 29.6927146911621, 465.010070800781, 0.228292301297188, -175.171936035156, 58.3422431945801, 19.0381050109863, -16.8458862304688, 0.209164872765541, 5.83835220336914, 0.139671742916107, 41.3058967590332, 234.081069946289, 4.0, 0.79083514213562, 5.08276224136353, 367.221038818359, 17.4592800140381, 2.0, 0.322961300611496, 0.677038669586182
-InChI%3D1S%2FC11H11N5.ClH%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%3B%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29%3B1H%2Fb16-15%2B%3B, , , , , , , , , , , , , , , , , , , 19.2313117980957, , , , , 37.7086868286133, , 5.0, , , , , 3.0, , 
-InChI%3D1S%2FH4N2%2Fc1-2%2Fh1-2H2, , , , , , , , , , , , , , , , , , , 1.7328280210495, , , , , 4.86717176437378, , 2.0, , , , , 2.0, , 
-InChI%3D1S%2FC6H4ClNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H, -0.29291307926178, 0.219708889722824, 217.941329956055, 163.473922729492, 0.0, -0.0598486661911011, 0.0286812502890825, -54.4674110412598, -111.72151184082, 83.8003234863281, 83.1261444091797, 195.521835327148, -22.8271942138672, 10.9394655227661, 381.415252685547, 0.254386872053146, -42.6122894287109, 33.766658782959, 6.048828125, -8.70664024353027, 0.0, 18.10622215271, 0.246834740042686, 18.1111717224121, 62.3514442443848, 0.0, 1.0, 1.44384729862213, 31.9627208709717, 4.17247915267944, 0.0, 0.571401715278625, 0.428598284721375
-InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296, -0.535825490951538, 0.132013410329819, 196.064315795898, 48.3051300048828, 48.3051300048828, -0.133956372737885, 0.0660067051649094, -147.759185791016, -130.939376831055, 32.2600440979004, 47.9121246337891, 163.199417114258, -32.7348442077637, 16.1300220489502, 196.064315795898, 0.25, -31.9975814819336, 48.8648643493652, 4.81199979782104, -7.9993953704834, 0.197672545909882, 11.7723903656006, 0.5, 5.7480001449585, 11.8042974472046, 0.0, 0.802327454090118, 18.8062934875488, 7.88336896896362, 3.94168448448181, 0.0, 0.802327454090118, 0.197672545909882
-InChI%3D1S%2FC3H5ClO%2Fc1-3%284%292-5%2Fh2-3H%2C1H3, -0.206860244274139, 0.292575269937515, 126.280944824219, 178.606964111328, 52.1163215637207, -0.0884056836366653, 0.0450034886598587, 52.3260231018066, -63.0691871643066, 89.2026596069336, 38.5015335083008, 152.271850585938, -26.9538249969482, 13.721019744873, 252.771591186523, 0.601967394351959, -19.2290325164795, 40.6748466491699, 6.84403514862061, -8.2178955078125, 0.17093600332737, 31.3723278045654, 0.286625176668167, 11.595965385437, 54.4551086425781, 1.0, 0.829064011573792, 16.0719165802002, 27.196813583374, 4.18337297439575, 0.0, 0.414188086986542, 0.585811913013458
-InChI%3D1S%2FH2O2%2Fc1-2%2Fh1-2H, , , , , , , , , , , , , , , , , , , 0.270413994789124, , , , , 2.93758606910706, , 2.0, , , , , 2.0, , 
-InChI%3D1S%2FC25H30N3.ClH%2Fc1-26%282%2922-13-7-19%288-14-22%2925%2820-9-15-23%2816-10-20%2927%283%294%2921-11-17-24%2818-12-21%2928%285%296%3B%2Fh7-18H%2C1-6H3%3B1H%2Fq%2B1%3B%2Fp-1, , , , , , , , , , , , , , , , , , , 38.7362098693848, , , , , 69.4837875366211, , 2.0, , , , , 0.0, , 
-InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, -0.508379399776459, 0.252900004386902, 260.830841064453, 129.75373840332, 69.0100173950195, -0.0956593155860901, 0.0426672697067261, -131.077117919922, -198.565155029297, 98.7788467407227, 101.876510620117, 297.343994140625, -37.3630523681641, 16.6651782989502, 321.574554443359, 0.46854367852211, -77.5564880371094, 54.0282325744629, 4.53962087631226, -14.593433380127, 0.17668391764164, 13.4903717041016, 0.286295801401138, 19.9023780822754, 50.6798095703125, 0.0, 0.823316097259521, 11.5142116546631, 38.5814933776855, 6.50916147232056, 1.0, 0.667796075344086, 0.332203924655914
-InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2, -0.458880662918091, 0.832406222820282, 150.8857421875, 273.705627441406, 102.317764282227, -0.0753517895936966, 0.0569613389670849, 122.819892883301, -194.836776733398, 353.432495117188, 64.0647811889648, 548.269287109375, -31.9937191009521, 24.1852931976318, 322.273620605469, 0.297167658805847, -82.7260131835938, 56.179012298584, 14.7640695571899, -13.5842571258545, 0.240979373455048, 8.50531196594238, 0.163438007235527, 26.6739292144775, 116.213050842285, 1.0, 0.759020626544952, 3.30825901031494, 150.064376831055, 10.2688665390015, 1.0, 0.355366945266724, 0.644633054733276
-InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, -0.420803368091583, 0.633019030094147, 195.249526977539, 293.715972900391, 56.5486679077148, -0.0509578734636307, 0.0494238883256912, 98.4664459228516, -205.758331298828, 309.524475097656, 95.4702835083008, 515.282775878906, -24.9166412353516, 24.166576385498, 432.416839599609, 0.286995559930801, -100.60871887207, 49.0832176208496, 14.078483581543, -12.1833782196045, 0.115649610757828, 5.61260414123535, 0.117761731147766, 34.2215156555176, 143.616973876953, 2.0, 0.884350419044495, 3.5690290927887, 151.346786499023, 11.8166217803955, 2.0, 0.399311453104019, 0.600688517093658
-InChI%3D1S%2FC18H28O3S%2Fc1-3-4-5-6-7-8-11-22%2819%2915%282%2912-16-9-10-17-18%2813-16%2921-14-20-17%2Fh9-10%2C13%2C15H%2C3-8%2C11-12%2C14H2%2C1-2H3, -0.282828032970428, 1.20158088207245, 114.909965515137, 488.189300537109, 61.8560943603516, -0.0339449867606163, 0.0318423397839069, 373.279327392578, -170.573379516602, 724.672546386719, 69.302116394043, 895.245971679688, -20.4721984863281, 19.2040920257568, 541.2431640625, 0.212721720337868, -102.872680664062, 39.6762886047363, 38.8197975158691, -12.3467674255371, 0.102563701570034, 2.46563577651978, 0.107027642428875, 55.6562042236328, 294.426605224609, 1.0, 0.897436320781708, 0.484686017036438, 437.049499511719, 11.581974029541, 0.0, 0.190532431006432, 0.809467554092407
-InChI%3D1S%2FC9H13N.ClH%2Fc1-6-4-8%283%299%2810%295-7%286%292%3B%2Fh4-5H%2C10H2%2C1-3H3%3B1H, , , , , , , , , , , , , , , , , , , 15.0648975372314, , , , , 28.4551029205322, , 1.0, , , , , 1.0, , 
-InChI%3D1S%2FC12H9NO%2Fc13-8-5-6-12-10%287-8%299-3-1-2-4-11%289%2914-12%2Fh1-7H%2C13H2, -0.313586950302124, 0.604871392250061, 139.093185424805, 268.293975830078, 41.0362930297852, -0.0415633991360664, 0.0491655245423317, 129.200790405273, -127.751304626465, 246.416854858398, 56.6647796630859, 374.168151855469, -16.9323959350586, 20.0294036865234, 366.350860595703, 0.336024343967438, -52.0442428588867, 36.961799621582, 11.0948629379272, -6.89804029464722, 0.100730448961258, 7.14848518371582, 0.135117962956429, 29.023136138916, 109.299522399902, 1.0, 0.89926952123642, 4.05618953704834, 100.387062072754, 8.15972232818604, 1.0, 0.341427505016327, 0.658572494983673
-InChI%3D1S%2FC20H16%2Fc1-13-16-8-5-6-9-17%2816%2914%282%2920-18%2813%2912-11-15-7-3-4-10-19%2815%2920%2Fh3-12H%2C1-2H3, -0.287897348403931, 0.500197410583496, 184.446334838867, 320.459991455078, 0.0, -0.0169044453650713, 0.0314005352556705, 136.013656616211, -145.361190795898, 252.552841186523, 93.1281280517578, 397.914031982422, -8.5351619720459, 15.8543281555176, 504.906341552734, 0.0776126235723495, -73.3937911987305, 24.3894901275635, 17.4913120269775, -4.30945730209351, 0.0, 1.06663501262665, 0.0791637524962425, 45.8686866760254, 161.802276611328, 0.0, 1.0, 1.0157333612442, 127.515525817871, 8.00495052337646, 0.0, 0.365308046340942, 0.634691953659058
-InChI%3D1S%2FC3H5Cl%2Fc1-2-3-4%2Fh2-3H%2C1H3, -0.0991615727543831, 0.155353292822838, 127.186889648438, 199.259674072266, 0.0, -0.0415904447436333, 0.0240403115749359, 72.0727844238281, -32.3709526062012, 50.7145462036133, 41.5197219848633, 83.0855026245117, -13.5770568847656, 7.84787702560425, 326.446563720703, 0.547146081924438, -10.5673866271973, 21.424934387207, 5.88603496551514, -4.43218374252319, 0.0, 42.8673248291016, 0.3219895362854, 10.7939653396606, 65.0476303100586, 0.0, 1.0, 7.62168312072754, 16.5555896759033, 2.56191253662109, 0.0, 0.389610141515732, 0.610389888286591
-InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3, -0.0635026842355728, 0.235514432191849, 57.8410415649414, 214.516906738281, 0.0, -0.0288418829441071, 0.0279784444719553, 156.675872802734, -17.2954616546631, 64.1442337036133, 15.7534675598145, 81.4396896362305, -7.85531616210938, 7.62015199661255, 272.357940673828, 0.565301597118378, -4.7105565071106, 15.4754686355591, 8.17724227905273, -2.1394579410553, 0.0, 4.87830543518066, 0.138189539313316, 10.5227575302124, 58.4253883361816, 1.0, 1.0, 4.20953845977783, 17.4701919555664, 2.07540893554688, 0.0, 0.212371408939362, 0.787628591060638
-InChI%3D1S%2FC7H8N2O2%2Fc1-5-2-3-6%289%2810%2911%294-7%285%298%2Fh2-4H%2C8H2%2C1H3, -0.312936663627625, 0.413556903600693, 159.424911499023, 210.685668945312, 17.0824108123779, -0.0502770878374577, 0.0355631373822689, 51.2607688903809, -115.821166992188, 153.061782836914, 59.0048446655273, 268.882934570312, -18.608081817627, 13.1622934341431, 353.028167724609, 0.415920585393906, -42.8666381835938, 31.7703742980957, 9.34165573120117, -6.88704776763916, 0.0461548827588558, 7.10492563247681, 0.176108047366142, 21.4583435058594, 77.9769973754883, 1.0, 0.953845143318176, 1.09105706214905, 56.6497840881348, 4.87150382995605, 1.0, 0.430749386548996, 0.569250643253326
-InChI%3D1S%2FC12H12N2O2.2ClH%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%3B%3B%2Fh1-6%2C15-16H%2C13-14H2%3B2%2A1H, , , , , , , , , , , , , , , , , , , 14.8248977661133, , , , , 38.6191024780273, , 2.0, , , , , 4.0, , 
-InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295, -0.317169815301895, 0.0575904734432697, 409.093994140625, 74.2817153930664, 74.2817153930664, -0.0792924538254738, 0.0575904734432697, -334.812286376953, -153.312194824219, 27.8378372192383, 197.746109008789, 181.150024414062, -38.3280487060547, 27.8378372192383, 409.093994140625, 0.25, -74.1073913574219, 66.165885925293, 1.67999994754791, -18.5268478393555, 0.153672829270363, 23.3985824584961, 1.0, 10.4799995422363, 35.9059791564941, 0.0, 0.846327185630798, 74.2817153930664, 13.4561347961426, 13.4561347961426, 0.0, 0.846327185630798, 0.153672829270363
-InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29, -0.322189837694168, 0.611098170280457, 92.6453475952148, 175.720626831055, 108.435089111328, -0.0931084007024765, 0.0554299168288708, 83.0752868652344, -86.4647979736328, 163.997970581055, 24.8628597259521, 250.462753295898, -24.9871273040771, 14.8755044937134, 159.930892944336, 0.349160969257355, -23.2042083740234, 39.8626289367676, 9.56844902038574, -6.70569467544556, 0.404056757688522, 11.6639699935913, 0.295053899288177, 12.6515512466431, 47.1574401855469, 3.0, 0.595943212509155, 2.55173802375793, 44.011474609375, 3.99207925796509, 2.0, 0.345220148563385, 0.654779851436615
-InChI%3D1S%2FC7H5Cl2NO2%2Fc8-3-1-4%287%2811%2912%296%289%295%2810%292-3%2Fh1-2H%2C10H2%2C%28H%2C11%2C12%29, -0.70479428768158, 0.481318444013596, 242.917953491211, 165.893630981445, 112.68741607666, -0.108293928205967, 0.0422109663486481, -77.0243148803711, -288.128082275391, 196.7685546875, 99.3076705932617, 484.896636962891, -44.2718124389648, 17.2563323974609, 296.124176025391, 0.276223540306091, -117.790092468262, 61.5281448364258, 6.60403490066528, -18.0988292694092, 0.275646328926086, 9.18024349212646, 0.24678273499012, 22.7179641723633, 67.8192367553711, 3.0, 0.724353671073914, 1.62980675697327, 80.4412612915039, 7.05458831787109, 2.0, 0.594205141067505, 0.405794858932495
-InChI%3D1S%2FC7H9N.ClH%2Fc1-6-2-4-7%288%295-3-6%3B%2Fh2-5H%2C8H2%2C1H3%3B1H, , , , , , , , , , , , , , , , , , , 10.6920700073242, , , , , 22.2679290771484, , 1.0, , , , , 1.0, , 
-InChI%3D1S%2FC15H11NO2%2Fc1-8-6-7-11-12%2813%288%2916%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C16H2%2C1H3, -0.498445242643356, 0.778656959533691, 187.330352783203, 292.642150878906, 75.3102493286133, -0.0576277747750282, 0.0383001603186131, 105.311790466309, -239.240005493164, 373.733917236328, 89.9134140014648, 612.973937988281, -27.6597461700439, 18.3830242156982, 404.662231445312, 0.236165687441826, -114.828620910645, 46.0427703857422, 13.2812767028809, -13.2759170532227, 0.156905353069305, 3.74909734725952, 0.153319329023361, 36.4387245178223, 140.460174560547, 3.0, 0.843094646930695, 1.06559264659882, 179.38200378418, 8.82334518432617, 1.0, 0.390293926000595, 0.609706044197083
-InChI%3D1S%2FC7H5N3O2%2Fc11-10%2812%295-1-2-6-7%283-5%299-4-8-6%2Fh1-4H%2C%28H%2C8%2C9%29, -0.384925067424774, 0.497685223817825, 158.993667602539, 205.569366455078, 28.0387153625488, -0.056507021188736, 0.0431838072836399, 46.5756912231445, -140.329452514648, 181.437637329102, 57.9632148742676, 321.76708984375, -20.6003704071045, 15.7432203292847, 336.524322509766, 0.310149908065796, -51.1589317321777, 36.3435897827148, 10.2284488677979, -7.51013374328613, 0.0769104734063148, 4.37550640106201, 0.146474212408066, 21.8915500640869, 74.9429931640625, 2.0, 0.923089504241943, 3.20142602920532, 66.1454544067383, 5.73939609527588, 2.0, 0.436121225357056, 0.563878774642944
-InChI%3D1S%2FC12H15N3O5%2Fc13-9%2812%2819%2920%295-6-10%2816%2915-14-8-3-1-7%282-4-8%2911%2817%2918%2Fh1-4%2C9%2C14H%2C5-6%2C13H2%2C%28H%2C15%2C16%29%28H%2C17%2C18%29%28H%2C19%2C20%29%2Ft9-%2Fm0%2Fs1, -1.12732839584351, 1.27660620212555, 268.368804931641, 303.905487060547, 265.942810058594, -0.111971154808998, 0.0533580705523491, 35.5366973876953, -645.141052246094, 730.568969726562, 153.58056640625, 1375.7099609375, -64.0782165527344, 30.5354518890381, 306.331481933594, 0.144395083189011, -369.197631835938, 94.6136627197266, 18.3141040802002, -36.6703147888184, 0.464712113142014, 3.91482186317444, 0.120889738202095, 38.4318962097168, 173.91731262207, 8.0, 0.535287857055664, 1.11773490905762, 418.085845947266, 17.4746551513672, 5.0, 0.468951344490051, 0.531048655509949
-InChI%3D1S%2FC14H19NO2.ClH%2Fc1-17-14%2816%2913%2811-7-3-2-4-8-11%2912-9-5-6-10-15-12%3B%2Fh2-4%2C7-8%2C12-13%2C15H%2C5-6%2C9-10H2%2C1H3%3B1H, , , , , , , , , , , , , , , , , , , 25.8181400299072, , , , , 42.8598594665527, , 3.0, , , , , 1.0, , 
-InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H, -0.23011676967144, 0.171819821000099, 200.300354003906, 149.556991577148, 0.0, -0.059131383895874, 0.02847545966506, -50.7433662414551, -80.5080413818359, 60.1124267578125, 70.0765533447266, 140.620468139648, -20.6875495910645, 9.96234893798828, 349.857360839844, 0.324440598487854, -28.1663303375244, 30.6498985290527, 5.21282815933228, -7.23769092559814, 0.0, 23.2880554199219, 0.180951297283173, 17.5871715545654, 52.3236122131348, 0.0, 1.0, 0.921889185905457, 21.0307731628418, 3.48540091514587, 0.0, 0.572520077228546, 0.427479922771454
-InChI%3D1S%2FC7H8N2O2.ClH%2Fc8-9-6-3-1-5%282-4-6%297%2810%2911%3B%2Fh1-4%2C9H%2C8H2%2C%28H%2C10%2C11%29%3B1H, , , , , , , , , , , , , , , , , , , 9.89686298370361, , , , , 24.3051376342773, , 4.0, , , , , 3.0, , 
-InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3, -0.0815272107720375, 0.11175524443388, 131.54768371582, 180.321914672852, 0.0, -0.0465671792626381, 0.0178502630442381, 48.7742385864258, -25.4258594512939, 34.8530654907227, 41.0257225036621, 60.278923034668, -14.5228881835938, 5.56695413589478, 311.869598388672, 0.74269026517868, -7.92955255508423, 20.0898418426514, 6.75603485107422, -4.52924728393555, 0.0, 63.1781158447266, 0.234540984034538, 9.90396499633789, 56.2369270324707, 0.0, 1.0, 5.93048620223999, 10.8696117401123, 1.73616373538971, 0.0, 0.42180347442627, 0.57819652557373
-InChI%3D1S%2FC9H8N4O2S%2Fc10-12-9-11-8%285-16-9%296-1-3-7%284-2-6%2913%2814%2915%2Fh1-5H%2C10H2%2C%28H%2C11%2C12%29, -0.664611399173737, 0.701473534107208, 221.873458862305, 234.179489135742, 45.2389335632324, -0.0660758092999458, 0.0452156886458397, 12.3060274124146, -303.097991943359, 319.909057617188, 101.186042785645, 623.007080078125, -30.1340656280518, 20.6207485198975, 410.814025878906, 0.20823435485363, -138.228729248047, 50.7548141479492, 15.9944839477539, -13.7427291870117, 0.0991966724395752, 0.147192180156708, 0.104883171617985, 32.7455177307129, 106.798248291016, 3.0, 0.900803327560425, 2.46872544288635, 145.895477294922, 9.40415287017822, 3.0, 0.486508101224899, 0.513491868972778
-InChI%3D1S%2FC4H6%2Fc1-3-4-2%2Fh3-4H%2C1-2H2, -0.127147406339645, 0.209101513028145, 105.54167175293, 173.569595336914, 0.0, -0.0318165570497513, 0.0348384827375412, 68.0279159545898, -35.4882736206055, 58.3625869750977, 29.4578704833984, 93.8508605957031, -8.8803596496582, 9.72381210327148, 279.111267089844, 0.293559193611145, -9.90517711639404, 18.6041717529297, 6.559241771698, -2.47860836982727, 0.0, 7.18252754211426, 0.181896656751633, 11.0407581329346, 48.4452285766602, 0.0, 1.0, 4.72006607055664, 16.2896556854248, 2.71402549743652, 0.0, 0.37813475728035, 0.621865212917328
-InChI%3D1S%2FC6H6ClN.ClH%2Fc7-5-1-3-6%288%294-2-5%3B%2Fh1-4H%2C8H2%3B1H, , , , , , , , , , , , , , , , , , , 7.83244895935059, , , , , 20.6875514984131, , 1.0, , , , , 1.0, , 
-InChI%3D1S%2FC12H2Cl6O2%2Fc13-3-1-5-11%289%2817%297%283%2915%2920-12-6%2819-5%292-4%2814%298%2816%2910%2812%2918%2Fh1-2H, , , , , , , , , , , , , , , , , , , 8.53841400146484, , , , , 37.1375846862793, , 0.0, , , , , 0.0, , 
-InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3, -0.243490040302277, 0.661989212036133, 104.205574035645, 283.309173583984, 53.950626373291, -0.0471358448266983, 0.0310934372246265, 179.103607177734, -94.3559875488281, 256.530578613281, 40.3811988830566, 350.886566162109, -18.2658348083496, 12.049165725708, 333.564117431641, 0.343967795372009, -36.564338684082, 30.3150005340576, 18.178897857666, -7.07828092575073, 0.139222130179405, 3.86934590339661, 0.289350479841232, 25.0191020965576, 109.786491394043, 2.0, 0.860777854919434, 1.08286213874817, 99.4093933105469, 4.66922950744629, 0.0, 0.268907368183136, 0.731092631816864
-InChI%3D1S%2F2C2H4O2.4H2O.3Pb%2Fc2%2A1-2%283%294%3B%3B%3B%3B%3B%3B%3B%2Fh2%2A1H3%2C%28H%2C3%2C4%29%3B4%2A1H2%3B%3B%3B%2Fq%3B%3B%3B%3B%3B%3B3%2A%2B2%2Fp-6, , , , , , , , , , , , , , , , , , , 10.9320697784424, , , , , 40.5239295959473, , 8.0, , , , , 0.0, , 
-InChI%3D1S%2FC8H8O%2Fc1-2-4-7%285-3-1%298-6-9-8%2Fh1-5%2C8H%2C6H2, -0.222893580794334, 0.459107249975204, 104.936698913574, 216.144393920898, 32.0387229919434, -0.0499786324799061, 0.0426477529108524, 111.207695007324, -71.5669174194336, 147.410659790039, 33.693187713623, 218.977569580078, -16.0471935272217, 13.6933870315552, 289.042358398438, 0.538754999637604, -22.9787826538086, 29.7405796051025, 10.6616563796997, -5.15245008468628, 0.0997838973999023, 17.261022567749, 0.156108051538467, 20.216344833374, 69.3998718261719, 1.0, 0.900216102600098, 0.265106946229935, 47.3307723999023, 4.39668750762939, 0.0, 0.326823055744171, 0.673176944255829
-InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H, -0.787053823471069, 0.272081613540649, 225.148620605469, 77.8330535888672, 111.059692382812, -0.125437632203102, 0.0478225238621235, -147.315567016602, -238.462890625, 82.4357452392578, 68.2159118652344, 320.898651123047, -38.0053024291992, 14.4893484115601, 191.921997070312, 0.342811048030853, -72.249885559082, 52.4946517944336, 4.53962087631226, -11.514910697937, 0.36655580997467, 9.80192089080811, 0.298995167016983, 13.664379119873, 23.5819911956787, 2.0, 0.63344419002533, 0.0, 24.9765224456787, 4.39000701904297, 2.0, 0.743109703063965, 0.256890296936035
-InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298, -0.662360489368439, 0.0, 315.466156005859, 0.0, 0.0, -0.110393412411213, 0.0, -315.466156005859, -208.95231628418, 0.0, 99.5189056396484, 208.95231628418, -34.8253860473633, 0.0, 315.466156005859, 0.16666667163372, -65.9173889160156, 34.8253860473633, 2.51999998092651, -10.9862308502197, 0.0, 8.81879997253418, 0.5, 16.6000003814697, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC15H13NO2%2Fc1-10%2817%2916%2818%2913-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9%2C18H%2C8H2%2C1H3, -0.481186866760254, 0.65789669752121, 239.230499267578, 327.084899902344, 85.7006988525391, -0.0435743033885956, 0.0381057523190975, 87.8543930053711, -272.503540039062, 372.577026367188, 135.479904174805, 645.08056640625, -24.6767978668213, 21.5798740386963, 480.614685058594, 0.264260560274124, -154.322937011719, 46.2566719055176, 15.8296909332275, -13.9748506546021, 0.151330336928368, 5.41107940673828, 0.209171205759048, 37.7723083496094, 185.233200073242, 1.0, 0.848669648170471, 4.59490442276001, 210.996109008789, 12.2210140228271, 1.0, 0.422433346509933, 0.577566683292389
-InChI%3D1S%2FC9H11NO2%2Fc1-2-12-8-6-4-3-5-7%288%299%2810%2911%2Fh3-6H%2C2H2%2C1H3%2C%28H2%2C10%2C11%29, -0.406562298536301, 0.801395773887634, 132.552368164062, 261.28076171875, 77.852294921875, -0.0559678934514523, 0.0510305538773537, 128.728393554688, -160.117691040039, 315.6162109375, 52.2035140991211, 475.73388671875, -22.0420112609863, 20.0975227355957, 315.980834960938, 0.285560727119446, -63.0596542358398, 42.139533996582, 13.941276550293, -8.68087387084961, 0.19767838716507, 3.50508379936218, 0.18167807161808, 25.8787231445312, 102.901023864746, 2.0, 0.80232161283493, 4.04320526123047, 124.300117492676, 7.91507053375244, 2.0, 0.336569875478745, 0.663430094718933
-InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H, -0.125616475939751, 0.28487166762352, 76.0727844238281, 172.517028808594, 27.8619995117188, -0.0388828590512276, 0.0439435318112373, 96.4442443847656, -31.2269744873047, 70.8161926269531, 18.9109191894531, 102.043167114258, -9.66588306427002, 10.9239139556885, 220.727813720703, 0.643164932727814, -7.76270771026611, 20.5897979736328, 6.78603506088257, -2.40283989906311, 0.112080216407776, 17.9198608398438, 0.203332528471947, 13.2339649200439, 42.8859748840332, 1.0, 0.887919783592224, 5.70363140106201, 17.6041831970215, 2.71557378768921, 0.0, 0.306017309427261, 0.693982720375061
-InChI%3D1S%2FCH6N2%2Fc1-3-2%2Fh3H%2C2H2%2C1H3, -0.174716740846634, 0.360924899578094, 97.4827041625977, 201.376998901367, 49.3033714294434, -0.0441542752087116, 0.0551138669252396, 103.894302368164, -52.2157936096191, 107.865905761719, 29.1336517333984, 160.081695556641, -13.19593334198, 16.4713134765625, 249.556335449219, 0.506360113620758, -15.6051969528198, 29.6672477722168, 5.23924207687378, -3.94373273849487, 0.164971619844437, 9.88767528533936, 0.261896342039108, 7.96075820922852, 60.1834716796875, 2.0, 0.835028409957886, 7.03353214263916, 32.2367744445801, 4.92261219024658, 2.0, 0.326182156801224, 0.673817873001099
-InChI%3D1S%2FC7H10N2OS%2Fc1-2-3-5-4-6%2810%299-7%2811%298-5%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C8%2C9%2C10%2C11%29, -0.363607197999954, 0.636219561100006, 137.688018798828, 240.918792724609, 66.9647750854492, -0.0675210356712341, 0.0404606126248837, 103.230781555176, -137.664169311523, 240.877059936523, 52.1296195983887, 378.541229248047, -25.5639247894287, 15.3186635971069, 311.642028808594, 0.344647526741028, -52.1205902099609, 40.8825874328613, 15.8520698547363, -9.67867565155029, 0.176871553063393, 12.6713848114014, 0.219496220350266, 24.8899307250977, 91.213493347168, 2.0, 0.823128461837769, 4.73431301116943, 91.1976928710938, 5.79975032806396, 1.0, 0.363670200109482, 0.636329770088196
-InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6-%2Fm1%2Fs1, -0.922870934009552, 0.908788442611694, 225.339553833008, 221.901000976562, 159.458724975586, -0.122886039316654, 0.0506412163376808, -3.43855500221252, -412.745300292969, 406.447021484375, 100.780982971191, 819.192321777344, -54.9596176147461, 22.6488056182861, 287.781829833984, 0.212026298046112, -184.596435546875, 77.6084213256836, 15.6984844207764, -24.5801696777344, 0.356539040803909, 6.39452600479126, 0.114851489663124, 27.8695163726807, 99.2431259155273, 4.0, 0.643460929393768, 1.50158333778381, 181.779586791992, 10.1294641494751, 4.0, 0.503844201564789, 0.496155798435211
-InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3, -0.0947897881269455, 0.515416145324707, 62.0309104919434, 337.290924072266, 0.0, -0.0176320914179087, 0.0243018642067909, 275.260009765625, -37.8516311645508, 205.816909790039, 24.7702960968018, 243.668548583984, -7.0408787727356, 9.70426464080811, 399.321807861328, 0.266992032527924, -15.1149816513062, 16.7451438903809, 21.295726776123, -2.81157636642456, 0.0, 1.12448966503143, 0.0736788734793663, 29.0842742919922, 134.687622070312, 1.0, 1.0, 1.43270635604858, 82.1871871948242, 3.87512469291687, 0.0, 0.155340641736984, 0.844659328460693
-InChI%3D1S%2FC12H19N3O.ClH%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%3B%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29%3B1H, , , , , , , , , , , , , , , , , , , 23.9021396636963, , , , , 40.7378616333008, , 4.0, , , , , 3.0, , 
-InChI%3D1S%2FC9H8O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-4H%2C5-6H2, -0.276034027338028, 0.507577419281006, 126.768676757812, 233.105026245117, 107.207618713379, -0.0609642378985882, 0.054149754345417, 106.336349487305, -99.3373870849609, 182.663772583008, 45.6207160949707, 282.001159667969, -21.9394264221191, 19.4870738983154, 252.666091918945, 0.354353904724121, -35.7489128112793, 41.4265022277832, 11.6196556091309, -7.89542293548584, 0.297903448343277, 7.11457538604736, 0.340491086244583, 22.7783432006836, 83.8883743286133, 1.0, 0.702096581459045, 12.1642713546753, 65.7358856201172, 7.01288557052612, 0.0, 0.352258801460266, 0.647741198539734
-InChI%3D1S%2FC5H8%2Fc1-4-5%282%293%2Fh4H%2C1-2H2%2C3H3, -0.130103632807732, 0.228984326124191, 131.48681640625, 231.418746948242, 0.0, -0.0287467129528522, 0.0300636794418097, 99.9319381713867, -47.21533203125, 83.0996856689453, 47.7172966003418, 130.315017700195, -10.4323425292969, 10.9102764129639, 362.905548095703, 0.274197518825531, -17.1347064971924, 21.3426189422607, 8.74565601348877, -3.78595495223999, 0.0, 6.50184965133667, 0.171055272221565, 14.1343441009521, 83.9831466674805, 0.0, 1.0, 4.50307083129883, 30.1573390960693, 3.95939993858337, 0.0, 0.362316876649857, 0.637683093547821
-InChI%3D1S%2FC2H5BrO%2Fc3-1-2-4%2Fh4H%2C1-2H2, -0.21688437461853, 0.318271487951279, 113.315902709961, 166.28776550293, 68.7478332519531, -0.0900196805596352, 0.0502282492816448, 52.971866607666, -60.6416702270508, 88.989875793457, 31.6835441589355, 149.631546020508, -25.1698341369629, 14.044002532959, 210.855850219727, 0.736854016780853, -16.9556331634521, 39.2138366699219, 6.75603485107422, -7.03757810592651, 0.245875999331474, 26.7765617370605, 0.392007440328598, 10.7059650421143, 46.4946708679199, 1.0, 0.754123985767365, 12.7044916152954, 24.8818969726562, 3.92675495147705, 1.0, 0.405273288488388, 0.59472668170929
-InChI%3D1S%2FC12H4Br6%2Fc13-7-3-11%2817%299%2815%291-5%287%296-2-10%2816%2912%2818%294-8%286%2914%2Fh1-4H, -0.518580496311188, 0.171128183603287, 490.546447753906, 161.877136230469, 0.0, -0.0688322484493256, 0.0170876458287239, -328.669311523438, -338.334136962891, 111.648063659668, 320.044067382812, 449.982208251953, -44.9077796936035, 11.148383140564, 652.423583984375, 0.144035592675209, -220.737167358398, 56.0561637878418, 12.1128282546997, -29.2988948822021, 0.0, 9.3370361328125, 0.107958346605301, 42.0871734619141, 105.612464904785, 0.0, 1.0, 3.17106509208679, 72.8418273925781, 7.27346801757812, 0.0, 0.751883387565613, 0.248116627335548
-InChI%3D1S%2FC6H12N2%2Fc1-3-5-8%287%296-4-2%2Fh3-4H%2C1-2%2C5-7H2, -0.249305099248886, 0.612580537796021, 114.101402282715, 280.364501953125, 39.8196868896484, -0.043931744992733, 0.0470642820000648, 166.263092041016, -98.3423614501953, 241.642135620117, 45.0091133117676, 339.984497070312, -17.3295764923096, 18.5652542114258, 354.646209716797, 0.310662299394608, -38.7927093505859, 35.8948287963867, 13.118483543396, -6.83592653274536, 0.100945830345154, 9.68959617614746, 0.159336507320404, 20.7615165710449, 110.594230651855, 2.0, 0.899054169654846, 3.34860730171204, 95.319580078125, 7.32335996627808, 1.0, 0.289255410432816, 0.710744559764862
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-InChI%3D1S%2FC6H5N2.H2O4S%2Fc7-8-6-4-2-1-3-5-6%3B1-5%282%2C3%294%2Fh1-5H%3B%28H2%2C1%2C2%2C3%2C4%29%2Fq%2B1%3B%2Fp-1, , , , , , , , , , , , , , , , , , , 14.6532421112061, , , , , 22.8687572479248, , 5.0, , , , , 1.0, , 
-InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2, -0.129668712615967, 0.640083730220795, 64.1123123168945, 316.477661132812, 14.785120010376, -0.0119022987782955, 0.0333217866718769, 252.365341186523, -49.3506126403809, 243.609466552734, 24.4005031585693, 292.960083007812, -4.52989530563354, 12.6819381713867, 365.804870605469, 0.326152205467224, -18.7823486328125, 17.2118339538574, 25.3984832763672, -1.72403287887573, 0.0388478972017765, 2.18055653572083, 0.157511442899704, 28.3915157318115, 120.448226928711, 3.0, 0.961152076721191, 0.0, 92.7153167724609, 4.82661867141724, 0.0, 0.168455079197884, 0.831544935703278
-InChI%3D1S%2FC14H7Br2NO2%2Fc15-8-5-9%2816%2912%2817%2911-10%288%2913%2818%296-3-1-2-4-7%286%2914%2811%2919%2Fh1-5H%2C17H2, -0.74376255273819, 0.571517765522003, 279.949890136719, 215.117477416992, 69.0453796386719, -0.0760483890771866, 0.0350492186844349, -64.8324127197266, -368.212585449219, 282.939788818359, 138.594055175781, 651.15234375, -37.6490745544434, 17.3517246246338, 426.02197265625, 0.228440493345261, -182.290023803711, 55.0008010864258, 11.4884490966797, -18.6388282775879, 0.139466643333435, 4.0234203338623, 0.148967191576958, 38.1115493774414, 106.49764251709, 3.0, 0.860533356666565, 1.26021587848663, 140.074249267578, 8.59027290344238, 1.0, 0.565478384494781, 0.434521615505219
-InChI%3D1S%2FH2SSe%2Fc1-2%2Fh2H2, , , , , , , , , , , , , , , , , , , 0.870000004768372, , , , , 6.67000007629395, , 0.0, , , , , 0.0, , 
-InChI%3D1S%2FC39H59Cl2NO2%2Fc1-27%282%297-6-8-28%283%2934-15-16-35-33-14-11-30-26-32%2817-19-38%2830%2C4%2936%2833%2918-20-39%2834%2C35%295%2944-37%2843%2925-29-9-12-31%2813-10-29%2942%2823-21-40%2924-22-41%2Fh9-13%2C27-28%2C32-36H%2C6-8%2C14-26H2%2C1-5H3%2Ft28-%2C32%2B%2C33%3F%2C34-%2C35%2B%2C36%2B%2C38%3F%2C39%3F%2Fm1%2Fs1, -0.625760853290558, 1.93075370788574, 205.14680480957, 632.970153808594, 29.4296379089355, -0.0367029681801796, 0.0279179308563471, 427.823394775391, -524.460815429688, 1618.19750976562, 171.93701171875, 2142.658203125, -30.761381149292, 23.3984909057617, 808.687316894531, 0.121911883354187, -439.559509277344, 54.1598739624023, 66.9135894775391, -25.7816352844238, 0.0351139977574348, 0.0624944157898426, 0.104098469018936, 113.044410705566, 530.503051757812, 3.0, 0.964886009693146, 0.294638067483902, 1356.23876953125, 19.6106739044189, 0.0, 0.244771078228951, 0.755228936672211
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-InChI%3D1S%2FC24H38O4%2Fc1-5-9-13-19%287-3%2917-27-23%2825%2921-15-11-12-16-22%2821%2924%2826%2928-18-20%288-4%2914-10-6-2%2Fh11-12%2C15-16%2C19-20H%2C5-10%2C13-14%2C17-18H2%2C1-4H3, -0.351311028003693, 1.72208893299103, 129.61457824707, 635.356750488281, 45.5523338317871, -0.0213876739144325, 0.0284551680088043, 505.742156982422, -268.742858886719, 1317.3486328125, 99.1514358520508, 1586.09143066406, -16.3609561920166, 21.7673873901367, 719.419006347656, 0.150228843092918, -205.580581665039, 38.128345489502, 47.289867401123, -12.5156621932983, 0.0595477633178234, 0.744432389736176, 0.141805157065392, 70.7861328125, 486.029693603516, 4.0, 0.940452218055725, 0.401362270116806, 1007.73388671875, 16.6514263153076, 0.0, 0.169437170028687, 0.830562829971313
-InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3, -0.121881596744061, 0.319431096315384, 91.1696395874023, 238.940246582031, 0.0, -0.0165209136903286, 0.0319911129772663, 147.770599365234, -40.2343215942383, 105.447364807129, 30.0959987640381, 145.681686401367, -5.45371675491333, 10.560583114624, 330.109893798828, 0.139904662966728, -13.2817468643188, 16.0142993927002, 10.9320697784424, -1.80032575130463, 0.0, 4.71219968795776, 0.140554934740067, 20.7479305267334, 78.8765335083008, 0.0, 1.0, 2.75489544868469, 34.8092155456543, 3.48615288734436, 0.0, 0.276179671287537, 0.723820328712463
-InChI%3D1S%2FC7H9N3O%2Fc8-7%2811%2910-9-6-4-2-1-3-5-6%2Fh1-5%2C9H%2C%28H3%2C8%2C10%2C11%29, -0.525901138782501, 0.749804079532623, 163.690887451172, 233.382446289062, 114.135543823242, -0.0685849487781525, 0.0704144090414047, 69.6915435791016, -208.821319580078, 297.727203369141, 64.9972915649414, 506.548522949219, -27.2332534790039, 27.9596843719482, 282.937805175781, 0.262751519680023, -82.9173812866211, 55.1929359436035, 9.83886337280273, -10.8135986328125, 0.287441968917847, 8.50801753997803, 0.173533409833908, 22.4231376647949, 92.6699447631836, 4.0, 0.712558031082153, 2.87604546546936, 118.219528198242, 11.1020450592041, 4.0, 0.412243485450745, 0.587756514549255
-InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh1%2C3H2%2C2H3, -0.117929965257645, 0.251203119754791, 112.686080932617, 240.033096313477, 0.0, -0.0437464639544487, 0.0333677604794502, 127.347007751465, -41.5961608886719, 88.6041564941406, 39.7465400695801, 130.200317382812, -15.4302158355713, 11.7694492340088, 352.719177246094, 0.456997215747833, -14.671763420105, 27.1996650695801, 8.07244873046875, -5.44253301620483, 0.0, 32.5118865966797, 0.188508883118629, 13.8875513076782, 84.6642761230469, 0.0, 1.0, 11.8033447265625, 31.252384185791, 4.15131044387817, 0.0, 0.319478183984756, 0.680521786212921
-InChI%3D1S%2FC6Cl5NO2%2Fc7-1-2%288%294%2810%296%2812%2813%2914%295%2811%293%281%299, -0.751287817955017, 0.131113335490227, 390.200897216797, 68.0971298217773, 0.0, -0.107287175953388, 0.0168528836220503, -322.103759765625, -344.313720703125, 60.0889854431152, 178.828308105469, 404.402709960938, -49.1695022583008, 7.72364330291748, 458.298034667969, 0.143447697162628, -157.798309326172, 56.8931465148926, 3.35599994659424, -22.5342864990234, 0.0, 6.01753997802734, 0.203607723116875, 24.1639995574951, 31.2087802886963, 0.0, 1.0, 0.947671890258789, 27.5386638641357, 3.53973054885864, 0.0, 0.851413011550903, 0.148587003350258
-InChI%3D1S%2FC12H13N3O%2Fc13-8-1-3-9%284-2-8%2916-10-5-6-11%2814%2912%2815%297-10%2Fh1-7H%2C13-15H2, -0.493386447429657, 0.945690214633942, 176.699142456055, 338.685119628906, 102.040046691895, -0.0649020075798035, 0.0581488572061062, 161.985977172852, -254.283615112305, 487.393859863281, 91.0679626464844, 741.677490234375, -33.4494743347168, 29.9690074920654, 413.344207763672, 0.215298101305962, -131.053771972656, 63.4184837341309, 14.1476907730103, -17.2393321990967, 0.197988286614418, 3.04732847213745, 0.0862710773944855, 33.890308380127, 174.552978515625, 3.0, 0.802011728286743, 1.49625849723816, 251.195129394531, 15.4455547332764, 3.0, 0.342849314212799, 0.657150685787201
-InChI%3D1S%2FC12H11Cl2NO%2Fc1-4-12%282%2C3%2915-11%2816%298-5-9%2813%297-10%2814%296-8%2Fh1%2C5-7H%2C2-3H3%2C%28H%2C15%2C16%29, -0.612306892871857, 0.549611568450928, 253.782730102539, 227.797409057617, 63.8699531555176, -0.077712282538414, 0.0335155315697193, -25.9853229522705, -294.874847412109, 264.682006835938, 122.216720581055, 559.556884765625, -37.424690246582, 16.1404151916504, 417.710174560547, 0.296468198299408, -142.005874633789, 53.5651054382324, 14.1852769851685, -18.0229873657227, 0.132625803351402, 10.1992378234863, 0.188881888985634, 34.716724395752, 109.702705383301, 2.0, 0.867374181747437, 3.80239319801331, 127.465606689453, 7.77290296554565, 1.0, 0.526979207992554, 0.473020762205124
-InChI%3D1S%2FC15H13NO%2Fc1-10%2817%2916-13-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9H%2C8H2%2C1H3%2C%28H%2C16%2C17%29, -0.399199932813644, 0.631391584873199, 221.850311279297, 350.887878417969, 95.1233978271484, -0.0453017763793468, 0.044154979288578, 129.037582397461, -228.63703918457, 361.6220703125, 127.062141418457, 590.259094238281, -25.9460582733154, 25.2892417907715, 477.614807128906, 0.337852209806442, -130.949172973633, 51.2353019714355, 15.5316905975342, -14.8602981567383, 0.166085302829742, 12.200249671936, 0.21260978281498, 36.9703102111816, 200.966888427734, 2.0, 0.833914697170258, 8.01923561096191, 207.114776611328, 14.4841146469116, 1.0, 0.387350291013718, 0.61264967918396
-InChI%3D1S%2FC17H22N2O.C4H6O4%2Fc1-17%2820-14-13-19%282%293%2C15-9-5-4-6-10-15%2916-11-7-8-12-18-16%3B5-3%286%291-2-4%287%298%2Fh4-12H%2C13-14H2%2C1-3H3%3B1-2H2%2C%28H%2C5%2C6%29%28H%2C7%2C8%29, , , , , , , , , , , , , , , , , , , 37.7417945861816, , , , , 61.840202331543, , 7.0, , , , , 2.0, , 
-InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3, -0.469867646694183, 0.739380061626434, 152.553405761719, 240.056854248047, 92.4219055175781, -0.0742338895797729, 0.0455638207495213, 87.5034484863281, -184.474853515625, 290.288208007812, 59.8940277099609, 474.763031005859, -29.1449851989746, 17.8888244628906, 300.188354492188, 0.324988603591919, -72.4267196655273, 47.0338096618652, 19.4472770690918, -11.4426202774048, 0.235403701663017, 11.9578561782837, 0.173536017537117, 25.6507225036621, 94.248779296875, 3.0, 0.764596283435822, 5.80836486816406, 113.970123291016, 7.02333545684814, 1.0, 0.388561934232712, 0.611438035964966
-InChI%3D1S%2FC12H11ClN2O5S%2Fc13-9-5-10%2815-6-7-2-1-3-20-7%298%2812%2816%2917%294-11%289%2921%2814%2C18%2919%2Fh1-5%2C15H%2C6H2%2C%28H%2C16%2C17%29%28H2%2C14%2C18%2C19%29, , , , , , , , , , , , , , , , , , , 21.7952766418457, , , , , 39.7447242736816, , 6.0, , , , , 3.0, , 
-InChI%3D1S%2FC8H12N4O5%2Fc9-7-10-2-12%288%2816%2911-7%296-5%2815%294%2814%293%281-13%2917-6%2Fh2-6%2C13-15H%2C1H2%2C%28H2%2C9%2C11%2C16%29%2Ft3%3F%2C4-%2C5-%2C6%3F%2Fm1%2Fs1, -0.930306434631348, 1.92914211750031, 155.866638183594, 323.214904785156, 248.004974365234, -0.110110074281693, 0.0930837392807007, 167.348266601562, -445.692657470703, 924.216430664062, 74.6728286743164, 1369.90905761719, -52.7517051696777, 44.5946998596191, 231.076568603516, 0.137538269162178, -213.523132324219, 97.3464050292969, 22.707311630249, -25.2723693847656, 0.517667531967163, 3.04345750808716, 0.0746685117483139, 33.1586875915527, 154.846298217773, 9.0, 0.482332438230515, 2.35219216346741, 442.775024414062, 21.3644981384277, 7.0, 0.32534471154213, 0.674655318260193
-InChI%3D1S%2FC11H10N4%2Fc1-15-9-5-4-8-7%283-2-6-13-8%2910%289%2914-11%2815%2912%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29, -0.380951344966888, 0.772357225418091, 145.08381652832, 294.149230957031, 68.5063552856445, -0.0458689630031586, 0.0475546978414059, 149.065399169922, -167.326416015625, 339.244812011719, 63.7256088256836, 506.571228027344, -20.1471633911133, 20.8875942230225, 370.726684570312, 0.241165667772293, -73.4952850341797, 41.0347595214844, 14.8920698165894, -8.84930038452148, 0.155968129634857, 7.68535423278809, 0.164234414696693, 30.4279308319092, 129.200057983398, 4.0, 0.844031870365143, 3.65136742591858, 149.007522583008, 9.17452144622803, 2.0, 0.330311715602875, 0.669688284397125
-InChI%3D1S%2FC32H24N6O16S4.2Cu.4Na%2Fc33-19-11-17%2855%2843%2C44%2945%295-15-9-25%2857%2849%2C50%2951%2929%2831%2841%2927%2815%2919%2937-35-21-3-1-13%287-23%2821%2939%2914-2-4-22%2824%2840%298-14%2936-38-30-26%2858%2852%2C53%2954%2910-16-6-18%2856%2846%2C47%2948%2912-20%2834%2928%2816%2932%2830%2942%3B%3B%3B%3B%3B%3B%2Fh1-12%2C39-42H%2C33-34H2%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29%3B%3B%3B%3B%3B%3B%2Fq%3B2%2A%2B2%3B4%2A%2B1%2Fp-8%2Fb37-35-%2C38-36-%3B%3B%3B%3B%3B%3B, , , , , , , , , , , , , , , , , , , 52.3793106079102, , , , , 204.620681762695, , 18.0, , , , , 2.0, , 
-InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29, -0.095475971698761, 0.54199755191803, 46.3731460571289, 263.250854492188, 20.6167011260986, -0.0230360459536314, 0.0438458062708378, 216.877716064453, -29.561653137207, 167.815460205078, 14.3582401275635, 197.377105712891, -7.13251256942749, 13.5757150650024, 289.00732421875, 0.471505552530289, -9.15299797058105, 20.7082271575928, 12.2520704269409, -2.20839715003967, 0.0665862485766411, 4.90210580825806, 0.193905726075172, 15.9079303741455, 81.5087890625, 2.0, 0.933413743972778, 4.0493745803833, 51.9596939086914, 4.20336723327637, 2.0, 0.149772450327873, 0.850227534770966
-InChI%3D1S%2FC16H11N3O6.K%2Fc1-18-8-12%2816%2821%2922%2914%2820%2911-6-3-9%2817-15%2811%2918%292-4-10-5-7-13%2825-10%2919%2823%2924%3B%2Fh2-8H%2C1H3%2C%28H%2C21%2C22%29%3B%2Fq%3B%2B1%2Fp-1%2Fb4-2%2B%3B, , , , , , , , , , , , , , , , , , , 22.4644832611084, , , , , 87.6735153198242, , 5.0, , , , , 0.0, , 
-InChI%3D1S%2FC4H8Cl2O%2Fc5-1-3-7-4-2-6%2Fh1-4H2, -0.299023002386093, 0.420152008533478, 160.304473876953, 225.241027832031, 12.7585315704346, -0.0779185220599174, 0.0344091802835464, 64.9365539550781, -115.286972045898, 161.987716674805, 61.8046722412109, 277.274688720703, -30.0411376953125, 13.2663059234619, 372.786987304688, 0.524487435817719, -44.4483757019043, 43.3074417114258, 11.5016555786133, -11.5822257995605, 0.0330921523272991, 6.69168949127197, 0.100713536143303, 17.5363445281982, 86.8406677246094, 1.0, 0.966907858848572, 0.171034470200539, 62.4536399841309, 5.11476469039917, 0.0, 0.415786147117615, 0.584213852882385
-InChI%3D1S%2FC6H4F4N2.2ClH%2Fc7-1-2%288%295%2811%294%2810%296%2812%293%281%299%3B%3B%2Fh11-12H2%3B2%2A1H, , , , , , , , , , , , , , , , , , , 10.8912420272827, , , , , 23.3487586975098, , 2.0, , , , , 2.0, , 
-InChI%3D1S%2FC8H11N.ClH%2Fc1-6-3-4-7%282%298%289%295-6%3B%2Fh3-5H%2C9H2%2C1-2H3%3B1H, , , , , , , , , , , , , , , , , , , 12.8784837722778, , , , , 25.3615169525146, , 1.0, , , , , 1.0, , 
-InChI%3D1S%2FC9H13N.ClH%2Fc1-6-4-7%282%299%2810%298%283%295-6%3B%2Fh4-5H%2C10H2%2C1-3H3%3B1H, , , , , , , , , , , , , , , , , , , 15.0648975372314, , , , , 28.4551029205322, , 1.0, , , , , 1.0, , 
-InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H, -0.822722494602203, 0.169644489884377, 318.314544677734, 65.636116027832, 0.0, -0.13712041079998, 0.00990836229175329, -252.678421020508, -315.884857177734, 65.1351165771484, 122.217079162598, 381.019958496094, -52.6474761962891, 3.80432224273682, 383.950653076172, 0.16666667163372, -121.284194946289, 56.4517974853516, 9.07924175262451, -20.2140331268311, 0.0, 9.05337142944336, 0.108260042965412, 27.6407585144043, 25.2010307312012, 0.0, 1.0, 0.0, 25.0086708068848, 1.46067202091217, 0.0, 0.829050660133362, 0.170949354767799
-InChI%3D1S%2FC6H11N2O4PS3%2Fc1-10-5-7-8%286%289%2916-5%294-15-13%2814%2C11-2%2912-3%2Fh4H2%2C1-3H3, -0.543081879615784, 1.17218160629272, 172.159240722656, 371.586456298828, 109.159637451172, -0.0592856518924236, 0.0383993946015835, 199.427230834961, -295.298461914062, 637.368713378906, 93.6108474731445, 932.667175292969, -32.2363204956055, 20.8795051574707, 434.586059570312, 0.206955119967461, -160.567260742188, 53.1158256530762, 30.8576908111572, -17.5283603668213, 0.200754940509796, 4.09032964706421, 0.162674844264984, 36.96630859375, 202.048538208008, 6.0, 0.799245059490204, 1.18688976764679, 346.566497802734, 11.353141784668, 1.0, 0.31661719083786, 0.68338280916214
\ No newline at end of file
diff --git a/5x_cv/MOU_geometrical.csv b/5x_cv/MOU_geometrical.csv
deleted file mode 100644
index e5fa3c9..0000000
--- a/5x_cv/MOU_geometrical.csv
+++ /dev/null
@@ -1 +0,0 @@
-SMILES,GRAVH-2,GRAV-1,GRAVH-3,GRAV-2,GRAV-3,MOMI-YZ,MOMI-XY,LOBMIN,MOMI-XZ,MOMI-X,GRAV-4,MOMI-Y,GRAV-5,MOMI-Z,GRAV-6,MOMI-R,GRAVH-1,LOBMAX
diff --git a/5x_cv/MOU_hybrid.csv b/5x_cv/MOU_hybrid.csv
deleted file mode 100644
index b59795a..0000000
--- a/5x_cv/MOU_hybrid.csv
+++ /dev/null
@@ -1,27 +0,0 @@
-SMILES,WD.unity,WK.unity,Weta2.unity,Wlambda2.unity,BCUTw-1l,Wlambda3.unity,BCUTp-1h,BCUTc-1h,BCUTp-1l,WA.unity,Wnu1.unity,Wlambda1.unity,WV.unity,WT.unity,Wnu2.unity,BCUTc-1l,BCUTw-1h,Wgamma1.unity,WG.unity,Wgamma2.unity,Weta3.unity,Weta1.unity,Wgamma3.unity
-InChI%3D1S%2FC8H12N4O5%2Fc9-7-10-2-12%288%2816%2911-7%296-5%2815%294%2814%293%281-13%2917-6%2Fh2-6%2C13-15H%2C1H2%2C%28H2%2C9%2C11%2C16%29%2Ft3%3F%2C4-%2C5-%2C6%3F%2Fm1%2Fs1, , , , , 11.9962921142578, , 9.42023468017578, 0.193983480334282, 4.30835771560669, , , , , , , -0.39361435174942, 16.0, , , , , , 
-InChI%3D1S%2FC27H44O6%2Fc1-15%2820%2828%298-9-24%282%2C3%2932%2916-7-11-27%2833%2918-12-21%2829%2919-13-22%2830%2923%2831%2914-25%2819%2C4%2917%2818%296-10-26%2816%2C27%295%2Fh12%2C15-17%2C19-20%2C22-23%2C28%2C30-33H%2C6-11%2C13-14H2%2C1-5H3%2Ft15-%2C16%2B%2C17-%2C19-%2C20%2B%2C22%2B%2C23%3F%2C25%3F%2C26%2B%2C27%2B%2Fm0%2Fs1, , , , , 11.9961223602295, , 13.0450096130371, 0.15943406522274, 5.33250570297241, , , , , , , -0.415720492601395, 16.0008144378662, , , , , , 
-InChI%3D1S%2FC10H9Cl7%2Fc1-4-6%282%2C3%298%2813%295%2811%297%284%2C12%299%2814%2C15%2910%288%2C16%2917%2Fh5H%2C1H2%2C2-3H3%2Ft5%3F%2C7-%2C8-%2Fm0%2Fs1, , , , , 11.9985313415527, , 15.9030141830444, 0.272349834442139, 8.44173526763916, , , , , , , -0.16488279402256, 34.9749450683594, , , , , , 
-InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2, , , , , 11.9945430755615, , 11.133002281189, 0.121336556971073, 6.52089977264404, , , , , , , -0.284132987260818, 31.9720726013184, , , , , , 
-InChI%3D1S%2FC12H19N3O.ClH%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%3B%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29%3B1H, , , , , 11.8900003433228, , 9.11466121673584, 0.208146393299103, 2.72999620437622, , , , , , , -0.280020087957382, 34.9688529968262, , , , , , 
-InChI%3D1S%2FC7H5Cl3%2Fc8-7%289%2C10%296-4-2-1-3-5-6%2Fh1-5H, , , , , 11.8500003814697, , 11.6361904144287, 0.274434119462967, 6.76730298995972, , , , , , , -0.139049023389816, 34.9708518981934, , , , , , 
-InChI%3D1S%2FC12H4Cl4O2%2Fc13-5-1-9-10%282-6%285%2914%2918-12-4-8%2816%297%2815%293-11%2812%2917-9%2Fh1-4H, , , , , 11.9985237121582, , 9.7629337310791, 0.168600007891655, 6.6611008644104, , , , , , , -0.355713248252869, 34.9720077514648, , , , , , 
-InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3%2Fb6-5-, , , , , 11.9989995956421, , 7.84538078308105, 0.190624639391899, 3.63411474227905, , , , , , , -0.265907466411591, 16.0168704986572, , , , , , 
-InChI%3D1S%2FC14H19Cl2NO2%2Fc15-8-10-17%2811-9-16%2913-6-4-12%285-7-13%292-1-3-14%2818%2919%2Fh4-7H%2C1-3%2C8-11H2%2C%28H%2C18%2C19%29, , , , , 11.8500003814697, , 10.3081579208374, 0.258933156728745, 3.77535319328308, , , , , , , -0.331606537103653, 34.9698524475098, , , , , , 
-InChI%3D1S%2FC42H50Cl4N2O4%2Fc1-42-17-16-36-35-13-11-34%2851-40%2849%2926-29-2-7-32%288-3-29%2947%2822-18-43%2923-19-44%2928-31%2835%296-12-37%2836%2938%2842%2914-15-39%2842%2952-41%2850%2927-30-4-9-33%2810-5-30%2948%2824-20-45%2925-21-46%2Fh2-5%2C7-11%2C13%2C28%2C36-39H%2C6%2C12%2C14-27H2%2C1H3%2Ft36-%2C37%3F%2C38%2B%2C39%2B%2C42%3F%2Fm1%2Fs1, , , , , 11.8500003814697, , 11.9354085922241, 0.264039188623428, 4.83676719665527, , , , , , , -0.312011808156967, 34.9718627929688, , , , , , 
-InChI%3D1S%2FC8H15N3O7%2Fc1-11%2810-17%298%2816%299-4-6%2814%295%2813%293%282-12%2918-7%284%2915%2Fh3-7%2C12-15H%2C2H2%2C1H3%2C%28H%2C9%2C16%29%2Ft3%3F%2C4%3F%2C5-%2C6-%2C7%2B%2Fm1%2Fs1, , , , , 11.9962921142578, , 9.17891597747803, 0.236602157354355, 3.27293038368225, , , , , , , -0.410327345132828, 16.0016536712646, , , , , , 
-InChI%3D1S%2FC13H18Cl2N2O2%2Fc14-5-7-17%288-6-15%2911-3-1-10%282-4-11%299-12%2816%2913%2818%2919%2Fh1-4%2C12H%2C5-9%2C16H2%2C%28H%2C18%2C19%29%2Ft12-%2Fm0%2Fs1, , , , , 11.9962062835693, , 10.3184604644775, 0.295294731855392, 4.10146331787109, , , , , , , -0.349721014499664, 34.9698524475098, , , , , , 
-InChI%3D1S%2FC20H16%2Fc1-13-16-8-5-6-9-17%2816%2914%282%2920-18%2813%2912-11-15-7-3-4-10-19%2815%2920%2Fh3-12H%2C1-2H3, , , , , 11.8500003814697, , 11.7756671905518, 0.145004853606224, 7.16275787353516, , , , , , , -0.155233517289162, 12.1502704620361, , , , , , 
-InChI%3D1S%2FC12H8Cl6O%2Fc13-8-9%2814%2911%2816%295-3-1-2%286-7%283%2919-6%294%285%2910%288%2C15%2912%2811%2C17%2918%2Fh2-7H%2C1H2, , , , , 11.9985237121582, , 15.5097017288208, 0.260110318660736, 6.51899480819702, , , , , , , -0.368371039628983, 34.9739608764648, , , , , , 
-InChI%3D1S%2F4C5H11NS2.H2Se%2Fc4%2A1-3-6%284-2%295%287%298%3B%2Fh4%2A3-4H2%2C1-2H3%2C%28H%2C7%2C8%29%3B1H2%2Fq%3B%3B%3B%3B%2B4%2Fp-4, , , , , 11.9984340667725, , 11.459981918335, 0.169073864817619, -4.03446983909816e-06, , , , , , , -0.263649582862854, 79.9165191650391, , , , , , 
-InChI%3D1S%2FC39H59Cl2NO2%2Fc1-27%282%297-6-8-28%283%2934-15-16-35-33-14-11-30-26-32%2817-19-38%2830%2C4%2936%2833%2918-20-39%2834%2C35%295%2944-37%2843%2925-29-9-12-31%2813-10-29%2942%2823-21-40%2924-22-41%2Fh9-13%2C27-28%2C32-36H%2C6-8%2C14-26H2%2C1-5H3%2Ft28-%2C32%2B%2C33%3F%2C34-%2C35%2B%2C36%2B%2C38%3F%2C39%3F%2Fm1%2Fs1, , , , , 11.8999996185303, , 12.7248973846436, 0.262490808963776, 4.8863673210144, , , , , , , -0.312112808227539, 34.969856262207, , , , , , 
-InChI%3D1S%2FC18H20O2%2Fc1-3-17%2813-5-9-15%2819%2910-6-13%2918%284-2%2914-7-11-16%2820%2912-8-14%2Fh5-12%2C19-20H%2C3-4H2%2C1-2H3, , , , , 11.8500003814697, , 11.5337781906128, 0.144980370998383, 4.86094284057617, , , , , , , -0.38668555021286, 15.9959239959717, , , , , , 
-InChI%3D1S%2FC12H2Cl6O2%2Fc13-3-1-5-11%289%2817%297%283%2915%2920-12-6%2819-5%292-4%2814%298%2816%2910%2812%2918%2Fh1-2H, , , , , 11.9985237121582, , 10.9507274627686, 0.192002266645432, 6.92423057556152, , , , , , , -0.354803889989853, 34.9739608764648, , , , , , 
-InChI%3D1S%2FC24H34O9%2Fc1-12%282%297-18%2827%2932-16-9-23%2810-29-14%284%2925%2917%288-13%2816%293%2933-21-19%2828%2920%2831-15%285%2926%2922%2823%2C6%2924%2821%2911-30-24%2Fh8%2C12%2C16-17%2C19-21%2C28H%2C7%2C9-11H2%2C1-6H3%2Ft16-%2C17%2B%2C19%2B%2C20%2B%2C21%2B%2C22%2B%2C23%3F%2C24-%2Fm0%2Fs1, , , , , 11.996636390686, , 13.7884788513184, 0.26316225528717, 4.13779020309448, , , , , , , -0.387361347675323, 16.0033874511719, , , , , , 
-InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2, , , , , 11.998706817627, , 6.16513395309448, 0.186238631606102, 4.77278184890747, , , , , , , -0.337501972913742, 34.9701538085938, , , , , , 
-InChI%3D1S%2FC3H5NO2%2Fc1-2-6-3%284%295%2Fh2H%2C1H2%2C%28H2%2C4%2C5%29, , , , , 11.789999961853, , 5.55852365493774, 0.280083626508713, 4.01724195480347, , , , , , , -0.325632691383362, 15.9959173202515, , , , , , 
-InChI%3D1S%2FC2H8N2.2ClH%2Fc1-3-4-2%3B%3B%2Fh3-4H%2C1-2H3%3B2%2A1H, , , , , 11.9938325881958, , 5.24502801895142, 0.0392177030444145, 2.72900009155273, , , , , , , -0.30096709728241, 34.9698524475098, , , , , , 
-InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918, , , , , 11.9985313415527, , 17.4356994628906, 0.258296996355057, 9.81878471374512, , , , , , , -0.167082697153091, 34.9799118041992, , , , , , 
-InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3, , , , , 11.9938325881958, , 5.65266847610474, 0.0637092664837837, 2.85724782943726, , , , , , , -0.221048966050148, 15.9949159622192, , , , , , 
-InChI%3D1S%2FC10Cl10O%2Fc11-2-1%2821%293%2812%296%2815%294%282%2C13%298%2817%295%282%2C14%297%283%2C16%299%286%2C18%2910%288%2C19%2920, , , , , 11.9985313415527, , 16.7189292907715, 0.258316993713379, 7.08480787277222, , , , , , , -0.293300956487656, 34.9779205322266, , , , , , 
-InChI%3D1S%2FC12H4Br6%2Fc13-7-3-11%2817%299%2815%291-5%287%296-2-10%2816%2912%2818%294-8%286%2914%2Fh1-4H, , , , , 11.9988374710083, , 13.4863948822021, 0.134597465395927, 8.49194526672363, , , , , , , -0.178140863776207, 78.9233703613281, , , , , , 
\ No newline at end of file
diff --git a/5x_cv/MOU_topological.csv b/5x_cv/MOU_topological.csv
deleted file mode 100644
index 8910161..0000000
--- a/5x_cv/MOU_topological.csv
+++ /dev/null
@@ -1,428 +0,0 @@
-SMILES,ATSc2,MDEC-44,SPC-4,ATSc3,khs.sssdAs,SPC-5,khs.dsssP,ATSc4,khs.dNH,SPC-6,ATSc5,TopoPSA,VPC-4,topoShape,MDEN-22,VPC-5,khs.ssssBe,khs.ssSe,MDEN-23,khs.sBr,VPC-6,VCH-3,khs.ssSnH2,Kier1,khs.ssBe,VCH-4,VP-0,khs.dO,khs.aasC,Kier2,VCH-5,VP-1,khs.ssssSi,khs.dsN,Kier3,khs.sF,khs.sSnH3,VC-3,khs.sssAs,VCH-6,VP-2,MDEC-22,khs.ssPbH2,VCH-7,VP-3,khs.aaN,VC-4,khs.ssPH,MDEC-23,khs.dS,VP-4,TPSA,khs.aaO,khs.sI,VC-5,VP-5,khs.sPbH3,khs.sSeH,VC-6,MDEC-24,khs.sssssAs,VP-6,khs.ssssSn,khs.ssO,khs.aaNH,khs.sCl,khs.ddssSe,VP-7,khs.ssBH,khs.sAsH2,khs.sssB,C4SP3,khs.ssssB,khs.aaS,khs.ssssC,khs.sssSnH,khs.dssSe,khs.sLi,khs.ssSiH2,C3SP2,MDEO-11,geomShape,khs.dssC,khs.aaCH,khs.aasN,ATSm1,C3SP3,MDEO-12,khs.ssS,SCH-3,khs.sSiH3,ATSm2,ECCEN,khs.ssAsH,MDEN-33,SCH-4,ATSm3,khs.sOH,PetitjeanNumber,WPATH,SCH-5,ATSp1,ATSm4,Zagreb,khs.tsC,SCH-6,ATSp2,ATSm5,khs.sssPbH,khs.sssNH,SCH-7,ATSp3,khs.ssNH,ATSp4,fragC,MDEC-33,ATSp5,khs.ddC,khs.dSe,MDEC-34,khs.ddsN,khs.sssSiH,khs.ssGeH2,khs.sssN,khs.ssssN,khs.sssssP,MDEN-11,khs.sssCH,WPOL,MDEN-12,C2SP1,khs.sssP,khs.sssGeH,SP-0,khs.tN,MDEN-13,C2SP2,SP-1,khs.dsCH,khs.ddssS,khs.sGeH3,SC-3,MDEO-22,C2SP3,khs.sNH2,SP-2,SC-4,SP-3,khs.aaaC,khs.ssNH2,khs.sNH3,SC-5,MDEC-11,khs.ssCH2,SP-4,khs.ssssGe,khs.tCH,SC-6,MDEC-12,C1SP1,khs.aaSe,SP-5,VAdjMat,khs.dssS,khs.sCH3,khs.sPH2,MDEC-13,C1SP2,SP-6,khs.sSH,khs.dCH2,ATSc1,MDEC-14,C1SP3,khs.ssssPb,SP-7
-InChI%3D1S%2FC7H7Cl%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6H2, -0.0180984567850828, 0.0, 0.492799282073975 0.492799282073975, -0.00326596526429057, 0.0, 0.594861328601837 0.594861328601837, 0.0, -0.000588597089517862, 0.0, 0.492799282073975 0.492799282073975, -2.02400333364494e-05, 0.0, 0.269713371992111 0.269713371992111, 0.666666686534882, 0.0, 0.272154480218887 0.272154480218887, 0.0, 0.0, 0.0, 0.0, 0.179808929562569 0.179808929562569, 0.0, 0.0, 6.125, 0.0, 0.0, 5.22775173187256, 0.0, 1.0, 3.11111116409302, 0.0, 3.06602072715759, 0.0, 0.0, 1.79999995231628, 0.0, 0.0, 0.117851130664349, 0.0, 0.0320750139653683, 1.88649046421051, 7.73231601715088, 0.0, 0.0226804614067078, 1.3057347536087, 0.0, 0.0, 0.0, 3.96540641784668, 0.0, 0.745271801948547, , 0.0, 0.0, 0.0, 0.425320863723755, 0.0, 0.0, 0.0, 0.0, 0.0, 0.134448006749153, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0514344498515129, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 5.0, 0.0, 15.7127532958984, 1.0, 0.0, 0.0, 0.0, 0.0, 9.95173740386963, 60.0, 0.0, 0.0, 0.0, 10.9517374038696, 0.0, 0.400000005960464, 64.0, 0.0, 405.990844726562, 10.9034748077393, 34.0, 0.0, 0.102062076330185, 422.194244384766, 6.90347480773926, 0.0, 0.0, 0.0721687823534012, 472.745483398438, 0.0, 342.472320556641, 169.009994506836, 0.0, 126.100547790527, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 0.0, 0.0, 5.81999111175537, 0.0, 0.0, 0.0, 3.9318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 0.0, 5.0, 0.0, 2.91228413581848, 0.0, 2.30209517478943, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.59538793563843, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.10517168045044, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.348461717367172, 0.0, 0.0, 0.0439471155405045, 0.0, 1.0, 0.0, 0.144337564706802
-InChI%3D1S%2FC8H5N3O4S%2Fc12-4-9-8-10-5%283-16-8%296-1-2-7%2815-6%2911%2813%2914%2Fh1-4H%2C%28H%2C9%2C10%2C12%29, -0.326386094093323, 0.0, 2.32489705085754 2.32489705085754, 0.0941291823983192, 0.0, 3.07844924926758 3.07844924926758, 0.0, 0.015651723369956, 0.0, 3.4332103729248 3.4332103729248, -0.0442486554384232, 132.679992675781, 0.638012588024139 0.638012588024139, 1.0, 0.5, 0.831232190132141 0.831232190132141, 0.0, 0.0, 0.338061690330505, 0.0, 0.710414528846741 0.710414528846741, 0.0, 0.0, 12.4567470550537, 0.0, 0.0, 8.54774475097656, 2.0, 4.0, 5.55765581130981, 0.113077633082867, 4.95305967330933, 0.0, 1.0, 3.02972650527954, 0.0, 0.0, 0.335922211408615, 0.0, 0.107108667492867, 3.49143624305725, 1.68811810016632, 0.0, 0.114507332444191, 2.43306875228882, 1.0, 0.0, 0.0, 6.43187379837036, 0.0, 1.69454097747803, , 1.0, 0.0, 0.0239986199885607, 0.873986423015594, 0.0, 0.0, 0.0, 0.0, 0.0, 0.527350664138794, 0.0, 0.0, 0.0, 0.0, 0.0, 0.27908980846405, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.512992799282074, , 0.0, 3.0, 0.0, 26.3055934906006, 0.0, 0.75394743680954, 0.0, 0.0, 0.0, 23.2737045288086, 251.0, 0.0, 0.0, 0.0, 33.297119140625, 1.0, 0.5, 473.0, 0.235702261328697, 883.160827636719, 26.7674541473389, 80.0, 0.0, 0.287457466125488, 1021.52349853516, 27.6612510681152, 0.0, 0.0, 0.474854648113251, 1378.6884765625, 0.0, 1044.98400878906, 244.080001831055, 2.52506470680237, 950.627868652344, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.0, 0.0, 0.0, 0.0, 0.0, 11.5436058044434, 0.0, 0.0, 0.0, 7.70270872116089, 1.0, 0.0, 0.0, 1.03745746612549, 0.0, 4.0, 0.0, 6.80506134033203, 0.0, 5.40193462371826, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 4.29859685897827, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.8039402961731, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.17042803764343, 0.0, 0.0, 0.50411731004715, 0.0, 2.0, 0.0, 1.28603947162628
-InChI%3D1S%2FC17H21N3.ClH%2Fc1-19%282%2915-9-5-13%286-10-15%2917%2818%2914-7-11-16%2812-8-14%2920%283%294%3B%2Fh5-12%2C18H%2C1-4H3%3B1H, -0.12785704433918, 0.0, 3.62239933013916 3.62239933013916, 0.0145726408809423, 0.0, 4.27267599105835 4.27267599105835, 0.0, 0.00919590424746275, 1.0, 4.8503532409668 4.8503532409668, -0.0166862476617098, 30.3299999237061, 1.4901270866394 1.4901270866394, 999.0009765625, 0.0, 1.38528668880463 1.38528668880463, 0.0, 0.0, 0.0, 0.0, 1.30079197883606 1.30079197883606, 0.0, 0.0, 19.0476188659668, 0.0, 0.0, 13.7379741668701, 0.0, 4.0, 8.58501815795898, 0.0, 6.62880229949951, 0.0, 0.0, 5.0, 0.0, 0.0, 0.8254514336586, 0.0, 0.0555555559694767, 5.25760221481323, 8.69190216064453, 0.0, 0.0526229776442051, 3.34475517272949, 0.0, 0.0, 0.0, 15.6241292953491, 0.0, 2.01914501190186, , 0.0, 0.0, 0.19073785841465, 1.24741947650909, 0.0, 0.0, 0.0, 0.0, 0.0, 0.748991012573242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.458151817321777, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 8.0, 0.0, 29.7927169799805, 2.0, 0.0, 0.0, 0.0, 0.0, 22.1632976531982, -949673024.0, 0.0, 0.100000001490116, 0.0, 29.9971122741699, 0.0, 0.999000012874603, 20000000000.0, 0.0, 1356.64416503906, 31.3294811248779, 100.0, 0.0, 0.16666667163372, 1531.79089355469, 24.9971122741699, 0.0, 0.0, 0.19245009124279, 2054.35205078125, 0.0, 2036.25830078125, 1429.0400390625, 3.34162521362305, 1593.89318847656, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 30.0, 0.0, 0.0, 0.0, 0.0, 14.6983060836792, 0.0, 0.333333343267441, 1.0, 9.48607063293457, 0.0, 0.0, 0.0, 1.52578341960907, 0.0, 10.0, 0.0, 8.69686985015869, 0.0, 7.00575113296509, 0.0, 0.0, 0.0, 0.52578341960907, 0.908560276031494, 0.0, 5.05976009368896, 0.0, 0.0, 0.0, 5.90230369567871, 0.0, 0.0, 3.68780708312988, 5.39231729507446, 0.0, 4.0, 0.0, 3.77033662796021, 0.0, 2.66021800041199, 0.0, 0.0, 0.218730136752129, 0.0, 0.0, 0.0, 2.01539397239685
-InChI%3D1S%2FC6H13NO3S.Na%2Fc8-11%289%2C10%297-6-4-2-1-3-5-6%3B%2Fh6-7H%2C1-5H2%2C%28H%2C8%2C9%2C10%29%3B%2Fq%3B%2B1%2Fp-1, -0.250372052192688, 0.0, 1.00310969352722 1.00310969352722, 0.156504809856415, 0.0, 1.82685959339142 1.82685959339142, 0.0, -0.0299727711826563, 0.0, 2.03098368644714 2.03098368644714, -0.0174537599086761, 77.6100006103516, 0.370999544858932 0.370999544858932, 999.0009765625, 0.0, 0.554693698883057 0.554693698883057, 0.0, 0.0, 0.0, 0.0, 0.536377310752869 0.536377310752869, 0.0, 0.0, 12.0, 0.0, 0.0, 6.29649066925049, 2.0, 0.0, 4.88888883590698, 0.0, 4.2467188835144, 0.0, 0.0, 5.32544374465942, 0.0, 0.0, 0.216596737504005, 0.0, 0.102062076330185, 3.08376145362854, 6.08364343643188, 0.0, 0.0510310381650925, 2.16354775428772, 0.0, 0.0, 0.0, 3.04182171821594, 0.0, 1.64193844795227, , 0.0, 0.0, 0.0, 1.13808786869049, 0.0, 0.0, 0.0, 0.0, 0.0, 0.371736943721771, 0.0, 0.0, 0.0, 0.0, 0.0, 0.190688937902451, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.5, , 0.0, 0.0, 0.0, 23.4749336242676, 0.0, 0.0, 0.0, 0.0, 0.0, 20.9488468170166, 525163488.0, 0.0, 0.0, 0.0, 20.9859600067139, 0.0, 0.999000012874603, 11000000512.0, 0.0, 645.507568359375, 14.6682167053223, 52.0, 0.0, 0.102062076330185, 692.359802246094, 14.4983072280884, 0.0, 0.0, 0.0721687823534012, 886.458740234375, 1.0, 630.869201660156, 397.059997558594, 0.0, 481.382598876953, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 10.0, 0.0, 0.0, 0.0, 0.0, 8.31999111175537, 0.0, 0.0, 0.0, 5.07829809188843, 0.0, 1.0, 0.0, 1.76478433609009, 0.0, 6.0, 0.0, 5.26882028579712, 0.353553384542465, 2.62579250335693, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 2.25728917121887, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.57320654392242, 4.58496236801147, 0.0, 0.0, 0.0, 0.0, 0.0, 0.679412364959717, 0.0, 0.0, 0.285632908344269, 0.0, 0.0, 0.0, 0.378354996442795
-InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3, -0.0164020527154207, 0.0, 0.40824830532074 0.40824830532074, 0.00947097409516573, 0.0, 0.0 0.0, 0.0, -0.00710728205740452, 0.0, 0.0 0.0, 0.0, 0.0, 0.327326834201813 0.327326834201813, 0.5, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 4.21124362945557, 0.0, 0.0, 2.25, 0.0, 1.94332885742188, 0.0, 0.0, 4.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 1.40467715263367, 0.0, 0.0, 0.0, 0.654653668403625, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 1.0, 0.0, 0.0, 12.7127532958984, 0.0, 0.0, 0.0, 0.0, 0.0, 5.95173740386963, 19.0, 0.0, 0.0, 0.0, 5.95173740386963, 0.0, 0.333333343267441, 18.0, 0.0, 202.214141845703, 5.90347480773926, 16.0, 0.0, 0.0, 177.264175415039, 0.0, 0.0, 0.0, 0.0, 156.362060546875, 0.0, 62.833869934082, 101.01000213623, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.0, 2.27005553245544, 1.0, 0.0, 0.0, 0.40824830532074, 0.0, 0.0, 0.0, 1.80209517478943, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 3.32192802429199, 0.0, 2.0, 0.0, 2.0, 1.0, 0.0, 0.0, 0.0, 0.0280767232179642, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC3H6ClNO%2Fc1-5%282%293%284%296%2Fh1-2H3, -0.213312432169914, 0.0, 1.33333337306976 1.33333337306976, 0.158799096941948, 0.0, 0.0 0.0, 0.0, -0.0644742920994759, 0.0, 0.0 0.0, 0.0, 20.3099994659424, 0.551853060722351 0.551853060722351, 0.5, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 4.48935508728027, 1.0, 0.0, 2.22222232818604, 0.0, 1.88910484313965, 0.0, 0.0, 3.0, 0.0, 0.0, 0.327116638422012, 0.0, 0.0, 1.4707156419754, 0.0, 0.0, 0.0, 0.689666748046875, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.103509835898876, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 14.8472108840942, 0.0, 0.0, 0.0, 0.0, 0.0, 7.78238534927368, 24.0, 0.0, 0.0, 0.0, 11.9277238845825, 0.0, 0.333333343267441, 29.0, 0.0, 208.077880859375, 8.56765842437744, 22.0, 0.0, 0.0, 196.128173828125, 0.0, 0.0, 0.0, 0.0, 200.129608154297, 0.0, 107.417663574219, 91.0299987792969, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 5.154700756073, 0.0, 0.0, 0.0, 2.64273452758789, 0.0, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 2.48803377151489, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.333333343267441, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.58496260643005, 0.0, 2.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.237975254654884, 0.0, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC4H8N2O%2Fc1-3-5-6%282%294-7%2Fh3-4H%2C1-2H3, -0.122406773269176, 0.0, 0.492799282073975 0.492799282073975, -0.0344429612159729, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0497656837105751, 0.0, 0.20412415266037 0.20412415266037, 0.000241517438553274, 32.6699981689453, 0.113807119429111 0.113807119429111, 0.666666686534882, 0.0, 0.093883216381073 0.093883216381073, 0.0, 0.0, 1.0, 0.0, 0.0272165518254042 0.0272165518254042, 0.0, 0.0, 7.0, 0.0, 0.0, 4.45737600326538, 1.0, 0.0, 4.16666650772095, 0.0, 1.97666394710541, 0.0, 1.0, 3.83999991416931, 0.0, 0.0, 0.115470051765442, 0.0, 0.0, 1.05274713039398, 0.333333343267441, 0.0, 0.0, 0.450156480073929, 0.0, 0.0, 0.0, 0.0, 0.0, 0.209353268146515, , 0.0, 0.0, 0.0, 0.0272165518254042, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 8.49444484710693, 0.0, 0.0, 0.0, 0.0, 0.0, 7.19063568115234, 45.0, 0.0, 0.0, 0.0, 7.21820688247681, 0.0, 0.400000005960464, 50.0, 0.0, 211.973922729492, 6.0517430305481, 24.0, 0.0, 0.0, 197.631240844727, 3.33209204673767, 0.0, 0.0, 0.0, 188.304061889648, 0.0, 136.415893554688, 154.029998779297, 0.0, 73.5817489624023, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0, 0.0, 5.69867038726807, 0.0, 0.0, 0.0, 3.30806040763855, 2.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.0, 2.30209517478943, 0.0, 1.47839784622192, 0.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.696923434734344, 0.0, 0.0, 0.0, 1.80720400810242, 0.0, 0.0, 0.20412415266037, 3.80735492706299, 0.0, 2.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.243262007832527, 0.0, 1.0, 0.0, 0.0
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-InChI%3D1S%2FC11H11N5%2Fc1-6-5-13-7-3-4-8-10%289%287%2914-6%2915-11%2812%2916%288%292%2Fh3-5H%2C1-2H3%2C%28H2%2C12%2C15%29, -0.197185978293419, 0.0, 3.26379370689392 3.26379370689392, 0.0178938657045364, 0.0, 5.12007713317871 5.12007713317871, 0.0, 0.0129314642399549, 1.0, 7.59804582595825 7.59804582595825, 0.0271307341754436, 64.9000015258789, 1.09627652168274 1.09627652168274, 0.75, 0.908560276031494, 1.42181015014648 1.42181015014648, 0.0, 0.0, 0.877205312252045, 0.0, 1.67777323722839 1.67777323722839, 0.0, 0.0, 11.1111106872559, 0.0, 0.0, 9.07369136810303, 0.0, 3.0, 4.03292179107666, 0.0279508493840694, 5.02280521392822, 0.0, 0.0, 1.76454293727875, 0.0, 0.0, 0.544305682182312, 0.0, 0.107306219637394, 3.87142848968506, 1.31037068367004, 0.0, 0.158119574189186, 2.75342798233032, 2.0, 0.0, 0.0, 6.98857831954956, 0.0, 1.88050019741058, , 0.0, 0.0, 0.104772321879864, 1.29223620891571, 0.0, 0.0, 0.0, 0.0, 0.0, 0.734294235706329, 0.0, 0.0, 0.0, 0.0, 0.0, 0.419887095689774, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 3.0, 0.0, 17.7999401092529, 0.0, 0.0, 0.0, 0.0, 0.0, 19.6618518829346, 197.0, 0.0, 0.0, 0.0, 29.9080028533936, 0.0, 0.428571432828903, 390.0, 0.0785674229264259, 1097.794921875, 29.8803844451904, 90.0, 0.0, 0.381648242473602, 1326.95532226562, 22.0494575500488, 0.0, 0.0, 0.715386986732483, 1971.12048339844, 1.0, 1862.20043945312, 601.049987792969, 6.63197565078735, 1333.93005371094, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 27.0, 0.766309440135956, 0.0, 0.0, 0.0, 11.2840929031372, 0.0, 0.5, 0.0, 7.66470384597778, 0.0, 0.0, 0.0, 1.29174244403839, 0.0, 7.0, 0.0, 7.31932067871094, 0.0, 6.49783277511597, 2.0, 0.0, 0.0, 0.393802672624588, 0.142857149243355, 0.0, 5.37681531906128, 0.0, 0.0, 0.0, 1.44903707504272, 0.0, 0.0, 4.59739637374878, 5.0, 0.0, 2.0, 0.0, 3.57098054885864, 0.0, 3.23006272315979, 0.0, 0.0, 0.292482435703278, 0.0, 2.0, 0.0, 2.27184391021729
-InChI%3D1S%2FC10H14N5O4%2Fc1-5-3-15%2810%2818%2912-9%285%2917%298-2-6%2813-14-11%297%284-16%2919-8%2Fh3%2C6-8%2C11%2C16H%2C2%2C4H2%2C1H3%2C%28H%2C12%2C17%2C18%29%2Ft6-%2C7%3F%2C8%2B%2Fm0%2Fs1, -0.366695046424866, 0.0, 3.3739595413208 3.3739595413208, 0.203167974948883, 0.0, 4.89469480514526 4.89469480514526, 0.0, -0.339571058750153, 0.0, 6.84427261352539 6.84427261352539, 0.292411744594574, 94.3899993896484, 1.45425498485565 1.45425498485565, 1.0, 0.863054394721985, 1.73683166503906 1.73683166503906, 0.0, 0.0, 0.877205312252045, 0.0, 1.97303116321564 1.97303116321564, 0.0, 0.0, 15.3900003433228, 0.0, 0.0, 10.3205289840698, 1.0, 0.0, 6.63520431518555, 0.0555555559694767, 6.0381007194519, 0.0, 1.0, 3.36596059799194, 0.0, 0.0, 0.723338425159454, 0.0, 0.115326426923275, 4.82135581970215, 0.843432664871216, 0.0, 0.175484985113144, 3.52213859558105, 0.0, 0.0, 0.0, 7.08683633804321, 0.0, 2.35694074630737, , 0.0, 0.0, 0.128119871020317, 1.54416394233704, 0.0, 0.0, 0.0, 0.0, 0.0, 0.870415389537811, 0.0, 1.0, 0.0, 0.0, 0.0, 0.480174958705902, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.474957138299942, , 1.0, 0.0, 0.0, 23.8978157043457, 1.0, 0.721124768257141, 0.0, 0.0, 0.0, 23.3775482177734, 297.0, 0.0, 0.0, 0.0, 33.5914115905762, 2.0, 0.5, 701.0, 0.0962250456213951, 1031.94458007812, 35.3109855651855, 96.0, 0.0, 0.247193872928619, 1212.46374511719, 32.7803611755371, 0.0, 0.0, 0.512934267520905, 1704.67736816406, 1.0, 1620.72717285156, 1027.08996582031, 5.18607664108276, 1349.833984375, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 5.0, 29.0, 1.19055080413818, 0.0, 0.0, 0.0, 13.9911994934082, 0.0, 0.16666667163372, 0.0, 9.06208038330078, 0.0, 0.0, 0.0, 1.34318959712982, 0.0, 3.0, 0.0, 8.0156774520874, 0.0, 6.75683355331421, 0.0, 0.0, 0.0, 0.414266437292099, 0.0, 3.0, 5.37730884552002, 0.0, 0.0, 0.0, 0.727928221225739, 0.0, 0.0, 4.12649345397949, 5.24792766571045, 0.0, 1.0, 0.0, 1.85314404964447, 0.0, 2.82198524475098, 0.0, 0.0, 0.639687299728394, 0.0, 5.0, 0.0, 1.7262749671936
-InChI%3D1S%2FC12H7Cl2NO3%2Fc13-8-1-6-12%2811%2814%297-8%2918-10-4-2-9%283-5-10%2915%2816%2917%2Fh1-7H, -0.0732816904783249, 0.0, 2.78576731681824 2.78576731681824, -0.0794994905591011, 0.0, 3.45401000976562 3.45401000976562, 0.0, 0.0107247615233064, 0.0, 4.3356409072876 4.3356409072876, -0.103382162749767, 55.0499992370605, 0.91360330581665 0.91360330581665, 0.833333313465118, 0.0, 1.06673061847687 1.06673061847687, 0.0, 0.0, 0.0, 0.0, 1.11805987358093 1.11805987358093, 0.0, 0.0, 14.4099721908569, 0.0, 0.0, 10.4811973571777, 2.0, 5.0, 6.43787002563477, 0.0, 5.69029808044434, 0.0, 0.0, 3.99583768844604, 0.0, 0.0, 0.591416001319885, 0.0, 0.0518340393900871, 4.27145290374756, 6.39426708221436, 0.0, 0.0881382301449776, 2.69974112510681, 0.0, 0.0, 0.0, 13.0106897354126, 0.0, 1.76791286468506, , 0.0, 0.0, 0.0509984381496906, 1.06872153282166, 0.0, 0.0, 0.0, 0.0, 0.0, 0.533206284046173, 0.0, 1.0, 0.0, 2.0, 0.0, 0.22688926756382, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, , 0.0, 7.0, 0.0, 36.1089019775391, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 24.8407764434814, 316.0, 0.0, 0.0, 0.0, 36.9063415527344, 0.0, 0.454545468091965, 667.0, 0.0, 1047.96740722656, 38.7280426025391, 90.0, 0.0, 0.151374712586403, 1191.30029296875, 34.7267036437988, 0.0, 0.0, 0.291233360767365, 1572.40515136719, 0.0, 1460.42578125, 370.059997558594, 3.08133912086487, 1075.4404296875, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.0, 0.0, 0.0, 0.0, 0.0, 13.1209554672241, 0.0, 0.0, 0.0, 8.55855083465576, 0.0, 0.0, 0.0, 1.39516818523407, 0.0, 12.0, 0.0, 7.91611242294312, 0.0, 6.07945203781128, 0.0, 0.0, 0.0, 0.284517794847488, 0.0, 0.0, 4.59700202941895, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.56158638000488, 5.16992521286011, 0.0, 0.0, 0.0, 0.0, 0.0, 2.30855226516724, 0.0, 0.0, 0.315886288881302, 0.0, 0.0, 0.0, 1.36995851993561
-InChI%3D1S%2FC2HCl5%2Fc3-1%284%292%285%2C6%297%2Fh1H, -0.0902454033493996, 0.0, 2.5980761051178 2.5980761051178, -0.121731474995613, 0.0, 0.577350258827209 0.577350258827209, 0.0, 0.0872979238629341, 0.0, 0.0 0.0, 0.0, 0.0, 3.78763914108276 3.78763914108276, 0.5, 0.0, 0.954395353794098 0.954395353794098, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 6.74681758880615, 0.0, 0.0, 1.85185182094574, 0.0, 3.29882264137268, 0.0, 0.0, 2.66666674613953, 0.0, 0.0, 2.21354651451111, 0.0, 0.0, 4.30751323699951, 0.0, 0.0, 0.0, 2.22692251205444, 0.0, 0.420848786830902, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 1.43159306049347, 0.0, 0.0, 0.0, 0.541091322898865, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 45.5637664794922, 0.0, 0.0, 0.0, 0.0, 0.0, 15.7586870193481, 29.0, 0.0, 0.0, 0.0, 49.6097030639648, 0.0, 0.333333343267441, 42.0, 0.0, 522.301208496094, 52.2765197753906, 30.0, 0.0, 0.0, 541.497863769531, 0.0, 0.0, 0.0, 0.0, 628.735656738281, 0.0, 319.885223388672, 7.05000019073486, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 6.0, 0.0, 0.0, 0.0, 0.0, 6.07735013961792, 0.0, 0.0, 0.0, 2.94337558746338, 0.0, 0.0, 0.0, 1.65470051765442, 0.0, 0.0, 0.0, 3.52072596549988, 0.288675129413605, 1.73205077648163, 0.0, 0.0, 0.0, 0.866025388240814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.0, 0.0, 3.80735492706299, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.249357908964157, 0.0, 2.0, 0.0, 0.0
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-InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2, -0.0248940158635378, 0.0, 0.0 0.0, -0.0497880317270756, 0.0, 0.0 0.0, 0.0, 0.0248940158635378, 0.0, 0.0 0.0, 0.0, 0.0, 0.0 0.0, 0.5, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 3.68200039863586, 0.0, 0.0, 3.0, 0.0, 2.10356736183167, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.13389337062836, 1.0, 0.0, 0.0, 0.642857134342194, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 19.4255065917969, 0.0, 0.0, 0.0, 0.0, 0.0, 6.90347480773926, 14.0, 0.0, 0.0, 0.0, 5.90347480773926, 0.0, 0.333333343267441, 10.0, 0.0, 144.702377319336, 8.71275329589844, 10.0, 0.0, 0.0, 115.754745483398, 0.0, 0.0, 0.0, 0.0, 69.4671401977539, 0.0, 26.0635776519775, 37.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 3.41421365737915, 0.0, 0.0, 0.0, 1.91421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0995760634541512, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2, -0.0204532295465469, 0.0, 0.577350258827209 0.577350258827209, -0.0550944581627846, 0.0, 0.288675129413605 0.288675129413605, 0.0, -0.00328892027027905, 0.0, 0.0 0.0, 0.0205029882490635, 0.0, 1.75631833076477 1.75631833076477, 1.0, 0.0, 1.26254642009735 1.26254642009735, 0.0, 0.0, 0.0, 2.0, 0.0 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 7.05337905883789, 0.0, 0.0, 3.20000004768372, 0.0, 4.14090394973755, 0.0, 0.0, 3.0, 0.0, 0.0, 0.566946685314178, 0.0, 0.0, 3.15693640708923, 0.5, 0.0, 0.0, 3.37808275222778, 0.0, 0.0, 0.0, 2.0, 0.0, 0.642857134342194, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 100.228935241699, 0.0, 0.0, 0.0, 0.0, 0.0, 18.2570877075195, 29.0, 0.0, 0.0, 0.0, 23.9097633361816, 0.0, 0.5, 31.0, 0.0, 433.149627685547, 73.4994583129883, 20.0, 0.0, 0.0, 403.634490966797, 19.6369514465332, 0.0, 0.0, 0.0, 368.651885986328, 0.0, 222.678283691406, 70.0299987792969, 0.0, 43.3590660095215, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 4.0, 0.0, 0.0, 0.0, 0.0, 4.99156379699707, 0.0, 0.0, 0.0, 2.80806040763855, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 1.0, 0.0, 1.92166829109192, 0.0, 1.39384686946869, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.288675129413605, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.58496260643005, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.116667233407497, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FC6H6N4O4%2Fc7-6%2811%299-8-3-4-1-2-5%2814-4%2910%2812%2913%2Fh1-3H%2C%28H3%2C7%2C9%2C11%29%2Fb8-3-, -0.199100345373154, 0.0, 1.7140154838562 1.7140154838562, -0.135763257741928, 0.0, 1.81269025802612 1.81269025802612, 0.0, 0.24694661796093, 1.0, 1.80959224700928 1.80959224700928, -0.077753022313118, 127.430000305176, 0.265279024839401 0.265279024839401, 0.800000011920929, 1.0, 0.263820767402649 0.263820767402649, 0.0, 0.0, 0.365148365497589, 0.0, 0.180461868643761 0.180461868643761, 0.0, 0.0, 12.0714282989502, 0.0, 0.0, 6.79843664169312, 2.0, 2.0, 5.77777767181396, 0.0340206921100616, 3.40177464485168, 0.0, 1.0, 4.3878116607666, 0.0, 0.0, 0.213915511965752, 0.0, 0.0348563715815544, 2.15172076225281, 1.65096366405487, 0.0, 0.0299908090382814, 1.15478324890137, 0.0, 0.0, 0.0, 4.14186000823975, 0.0, 0.666757762432098, , 1.0, 0.0, 0.00878410506993532, 0.310281664133072, 0.0, 0.0, 0.0, 0.0, 0.0, 0.150962010025978, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0548231154680252, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.550321221351624, , 1.0, 2.0, 0.0, 18.5378284454346, 0.0, 0.793700516223907, 0.0, 0.0, 0.0, 17.1279373168945, 194.0, 0.0, 0.0, 0.0, 23.1200561523438, 1.0, 0.444444447755814, 356.0, 0.117851130664349, 505.751129150391, 18.344783782959, 64.0, 0.0, 0.151374712586403, 551.054260253906, 15.0448522567749, 0.0, 0.0, 0.243120849132538, 680.2373046875, 1.0, 504.855743408203, 218.080001831055, 0.825481832027435, 423.690490722656, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.0, 0.816496610641479, 0.0, 0.0, 0.0, 10.5520420074463, 0.0, 0.125, 0.0, 6.59222412109375, 1.0, 0.0, 0.0, 1.11237239837646, 0.0, 3.0, 0.0, 6.00792503356934, 0.0, 3.91844439506531, 0.0, 0.0, 0.0, 0.16666667163372, 0.0, 0.0, 2.79609513282776, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.77061343193054, 4.80735492706299, 0.0, 0.0, 0.0, 0.0, 1.0, 1.31662976741791, 0.0, 0.0, 0.42872342467308, 0.0, 1.0, 0.0, 0.619699478149414
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-InChI%3D1S%2FC12H8Cl6%2Fc13-8-9%2814%2911%2816%297-5-2-1-4%283-5%296%287%2910%288%2C15%2912%2811%2C17%2918%2Fh1-2%2C4-7H%2C3H2, -0.00357348960824311, 2.38110160827637, 9.02845096588135 9.02845096588135, -0.103815689682961, 0.0, 16.5834712982178 16.5834712982178, 0.0, -0.12751305103302, 0.0, 27.8911323547363 27.8911323547363, 0.0828616917133331, 0.0, 9.48432064056396 9.48432064056396, 0.5, 0.0, 16.9049129486084 16.9049129486084, 0.0, 0.0, 0.0, 0.0, 28.0790271759033 28.0790271759033, 0.0, 0.0, 11.7959184646606, 0.0, 0.0, 13.4745693206787, 0.0, 0.0, 2.86127543449402, 0.230051502585411, 8.04552745819092, 0.0, 0.0, 0.855424344539642, 0.0, 0.0, 2.75688409805298, 0.0, 0.845332324504852, 8.9014196395874, 1.88988161087036, 0.0, 2.54049110412598, 9.41585636138916, 0.0, 0.324377715587616, 0.0, 7.7707200050354, 0.0, 7.61427307128906, , 0.0, 0.0, 2.70829272270203, 5.89081382751465, 0.0, 0.0, 1.02878987789154, 2.55688285827637, 0.0, 4.16053533554077, 0.0, 0.0, 0.0, 6.0, 0.0, 2.56172347068787, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 64.2765197753906, 6.0, 0.0, 0.0, 0.0, 0.0, 32.7104225158691, 198.0, 0.0, 0.0, 0.0, 74.0370788574219, 0.0, 0.333333343267441, 448.0, 0.279751896858215, 2413.42651367188, 139.927490234375, 120.0, 0.0, 0.970098853111267, 3243.2490234375, 113.313598632812, 0.0, 0.0, 2.74808025360107, 5806.5712890625, 0.0, 5480.29931640625, 535.059997558594, 7.38313722610474, 3404.0166015625, 0.0, 0.0, 9.59415340423584, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 43.0, 0.0, 0.0, 0.0, 0.0, 13.0854215621948, 0.0, 0.0, 4.0, 8.27572727203369, 2.0, 0.0, 0.0, 2.68646693229675, 0.0, 2.0, 0.0, 9.15251350402832, 0.291666656732559, 9.63646221160889, 0.0, 0.0, 0.0, 2.41360354423523, 0.0, 1.0, 8.21460342407227, 0.0, 0.0, 0.857122421264648, 0.0, 0.0, 0.0, 6.56834268569946, 5.16992521286011, 0.0, 0.0, 0.0, 0.0, 0.0, 4.79024696350098, 0.0, 0.0, 0.254131346940994, 0.0, 0.0, 0.0, 3.16466569900513
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-InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H, -0.0319355763494968, 0.0, 0.40824830532074 0.40824830532074, -0.0436616763472557, 0.0, 0.0 0.0, 0.0, 0.0267658121883869, 0.0, 0.0 0.0, 0.0, 0.0, 0.420848786830902 0.420848786830902, 0.5, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 4.47903060913086, 0.0, 0.0, 2.25, 0.0, 2.07722210884094, 0.0, 0.0, 4.0, 0.0, 0.0, 0.371153742074966, 0.0, 0.0, 1.62483763694763, 0.0, 0.0, 0.0, 0.742307484149933, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 28.1382598876953, 0.0, 0.0, 0.0, 0.0, 0.0, 9.85521221160889, 19.0, 0.0, 0.0, 0.0, 17.5679664611816, 0.0, 0.333333343267441, 18.0, 0.0, 250.480194091797, 17.4255065917969, 16.0, 0.0, 0.0, 224.30989074707, 0.0, 0.0, 0.0, 0.0, 188.053802490234, 0.0, 72.2740325927734, 5.03000020980835, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.0, 2.27005553245544, 1.0, 0.0, 0.0, 0.40824830532074, 0.0, 0.0, 0.0, 1.80209517478943, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0976628810167313, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3, -0.606948912143707, 0.0, 2.12078189849854 2.12078189849854, 0.545852959156036, 0.0, 1.92951393127441 1.92951393127441, 1.0, -0.253500878810883, 0.0, 1.3216780424118 1.3216780424118, -0.153742998838425, 54.5699996948242, 0.504617691040039 0.504617691040039, 1.0, 0.0, 0.386088639497757 0.386088639497757, 0.0, 0.0, 0.0, 0.0, 0.272350877523422 0.272350877523422, 0.0, 0.0, 11.0, 0.0, 0.0, 7.6492862701416, 1.0, 0.0, 4.79289960861206, 0.0, 3.57076072692871, 0.0, 0.0, 4.44444465637207, 0.0, 0.0, 0.553819298744202, 0.0, 0.0, 2.79270768165588, 0.0, 0.0, 0.0, 1.21125984191895, 0.0, 0.0186432246118784, 0.0, 1.0, 0.0, 0.517270445823669, , 0.0, 0.0, 0.0, 0.284269422292709, 0.0, 0.0, 0.0, 0.0, 0.0, 0.146458253264427, 0.0, 3.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 35.1737976074219, 0.0, 1.5, 0.0, 0.0, 0.0, 24.6407566070557, 94.0, 0.0, 0.0, 0.0, 34.3316535949707, 0.0, 0.5, 168.0, 0.0, 341.682891845703, 22.4316387176514, 46.0, 0.0, 0.0, 340.519897460938, 22.2203903198242, 0.0, 0.0, 0.0, 375.244720458984, 0.0, 310.168304443359, 179.070007324219, 0.0, 243.106704711914, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 0.0, 0.0, 8.90577697753906, 0.0, 0.0, 0.0, 5.03782272338867, 1.0, 0.0, 0.0, 1.33502495288849, 1.5, 0.0, 0.0, 4.45028877258301, 0.176776692271233, 3.03234791755676, 0.0, 0.0, 0.0, 0.0, 0.25, 0.0, 1.24069023132324, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.901047587394714, 4.45943164825439, 0.0, 2.0, 0.0, 0.400000005960464, 2.0, 0.40824830532074, 0.0, 0.0, 0.62253075838089, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3, -0.579319775104523, 0.0, 1.43566012382507 1.43566012382507, 0.583196222782135, 0.0, 2.03033018112183 2.03033018112183, 1.0, -0.310027956962585, 0.0, 1.88832521438599 1.88832521438599, -0.000262431451119483, 54.5699996948242, 0.290619105100632 0.290619105100632, 1.0, 0.0, 0.3820461332798 0.3820461332798, 0.0, 0.0, 0.0, 0.0, 0.367020457983017 0.367020457983017, 0.0, 0.0, 17.0, 0.0, 0.0, 11.6681098937988, 1.0, 0.0, 11.1111106872559, 0.0, 7.08333921432495, 0.0, 0.0, 9.67901229858398, 0.0, 0.0, 0.182665541768074, 0.0, 0.0, 4.42542695999146, 8.99300861358643, 0.0, 0.0, 2.61653876304626, 0.0, 0.0186432246118784, 0.0, 0.0, 0.0, 1.3947879076004, , 0.0, 0.0, 0.0, 0.883842825889587, 0.0, 0.0, 0.0, 0.0, 0.0, 0.607617795467377, 0.0, 3.0, 0.0, 0.0, 0.0, 0.286433756351471, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 25.7482891082764, 0.0, 1.5, 0.0, 0.0, 0.0, 26.7372817993164, 236.0, 0.0, 0.0, 0.0, 28.3796081542969, 0.0, 0.5, 616.0, 0.0, 580.131408691406, 26.721622467041, 68.0, 0.0, 0.0, 571.311096191406, 26.721622467041, 0.0, 0.0, 0.0, 599.830810546875, 0.0, 601.969177246094, 1577.05004882812, 0.0, 609.612976074219, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.0, 0.0, 0.0, 0.0, 0.0, 12.9852809906006, 0.0, 0.0, 0.0, 8.18198013305664, 0.0, 0.0, 0.0, 0.926776707172394, 1.5, 6.0, 0.0, 6.1819806098938, 0.176776692271233, 4.15165042877197, 0.0, 0.0, 0.0, 0.0, 0.300000011920929, 9.0, 2.78033018112183, 0.0, 0.0, 0.0, 5.55088710784912, 0.0, 0.0, 1.81066012382507, 5.08746290206909, 0.0, 3.0, 0.0, 0.0, 0.0, 1.46783006191254, 0.0, 0.0, 0.550389409065247, 0.0, 6.0, 0.0, 0.640165030956268
-InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3, 0.0242672506719828, 0.0, 2.49942326545715 2.49942326545715, -0.0137828672304749, , 3.04623436927795 3.04623436927795, , -0.0253615994006395, 0.0, 3.673011302948 3.673011302948, -0.0885291174054146, 91.6399993896484, 0.642356038093567 0.642356038093567, 1.0, 0.0, 0.643627762794495 0.643627762794495, 0.0, , 0.0, , 0.635187149047852 0.635187149047852, 0.0, , 11.0769233703613, 0.0, 0.0, 6.75947093963623, , 3.0, 4.48148155212402, 0.0, 3.41554427146912, , , 2.72108840942383, , , 0.357958495616913, , 0.0240562614053488, 2.48500919342041, 1.65096366405487, , 0.0455728359520435, 1.60023438930511, , 0.0, , 5.85380077362061, , 0.908044517040253, , , , 0.0604486875236034, 0.545857548713684, , , 0.0, 0.0, , 0.23871710896492, , , , , , 0.0595029816031456, 0.0, , 0.0, 0.0, 0.0, , 0.0, , , 0.0, , 0.0, 1.44224953651428, , 0.0, 3.0, , 16.8178520202637, 1.0, 0.0, , 0.0, , 15.5462341308594, 123.0, , 0.25, 0.0, 21.5420475006104, , 0.5, 240.0, 0.0, 520.869018554688, 21.4876613616943, 62.0, 0.0, 0.0680413842201233, 590.211669921875, 18.0132789611816, , , 0.146608799695969, 780.119567871094, 0.0, 712.9287109375, 205.059997558594, 1.65096366405487, 442.694610595703, 0.0, , 0.0, , , , , , , 0.0, 0.0, 18.0, 0.0, 0.0, , , 10.0080718994141, , 0.0, 0.0, 6.01974439620972, 0.0, , , 1.20511829853058, 0.0, 5.0, 0.0, 5.70230436325073, 0.0, 4.09772968292236, 0.0, 0.0, 0.0, 0.398974478244781, 0.0, 0.0, 2.92551803588867, , 0.0, 0.0, 1.14471423625946, 0.0, , 2.08057975769043, 4.70043992996216, , 1.0, , 1.5, 0.0, 1.45856332778931, , 0.0, 0.133698925375938, 0.0, 1.0, , 0.481853455305099
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-InChI%3D1S%2FH4N2%2Fc1-2%2Fh1-2H2, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 52.0400009155273, 0.0 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 1.15470051765442, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 2.71997618675232, 0.0, 0.0, 0.0, 0.0, 0.0, 1.35998809337616, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 22.4316024780273, 0.0, 2.0, 0.0, 0.0, 11.2158012390137, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H4ClNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H, -0.00321902614086866, 0.0, 1.44868838787079 1.44868838787079, -0.0155076887458563, 0.0, 1.40419375896454 1.40419375896454, 0.0, -0.00521908327937126, 0.0, 1.49826681613922 1.49826681613922, -0.0370243787765503, 45.8199996948242, 0.408175408840179 0.408175408840179, 1.0, 0.0, 0.335099399089813 0.335099399089813, 0.0, 0.0, 0.0, 0.0, 0.335171967744827 0.335171967744827, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 5.70700454711914, 2.0, 2.0, 3.40828394889832, 0.0, 2.97706913948059, 0.0, 0.0, 2.28571438789368, 0.0, 0.0, 0.300785630941391, 0.0, 0.0277777779847383, 2.16996240615845, 3.30192732810974, 0.0, 0.043919637799263, 1.28942108154297, 0.0, 0.0, 0.0, 5.65685415267944, 0.0, 0.688795149326324, , 0.0, 0.0, 0.0124225998297334, 0.464182257652283, 0.0, 0.0, 0.0, 0.0, 0.0, 0.191982254385948, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0202860198915005, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, , 0.0, 4.0, 0.0, 19.6216793060303, 0.0, 0.0, 0.0, 0.0, 0.0, 13.2248544692993, 88.0, 0.0, 0.0, 0.0, 18.6744976043701, 0.0, 0.5, 120.0, 0.0, 437.894836425781, 16.5642127990723, 46.0, 0.0, 0.0833333358168602, 476.984619140625, 9.44629096984863, 0.0, 0.0, 0.131445854902267, 582.19140625, 0.0, 446.965545654297, 106.040000915527, 0.333333343267441, 198.562622070312, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.0, 0.0, 7.56047773361206, 0.0, 0.0, 0.0, 4.69837713241577, 0.0, 0.0, 0.0, 0.788675129413605, 0.0, 6.0, 0.0, 4.26396894454956, 0.0, 3.00332260131836, 0.0, 0.0, 0.0, 0.16666667163372, 0.0, 0.0, 1.95252978801727, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.44913530349731, 4.32192802429199, 0.0, 0.0, 0.0, 0.0, 0.0, 0.919957399368286, 0.0, 0.0, 0.105677433311939, 0.0, 0.0, 0.0, 0.19245009124279
-InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296, -0.111502200365067, 0.0, 1.33333337306976 1.33333337306976, -0.1672533005476, 0.0, 0.0 0.0, 0.0, 0.111502200365067, 0.0, 0.0 0.0, 0.0, 0.0, 0.0539949238300323 0.0539949238300323, 0.5, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 2.5118579864502, 0.0, 0.0, 2.22222232818604, 0.0, 1.0059289932251, 0.0, 0.0, 3.0, 4.0, 0.0, 0.0714285746216774, 0.0, 0.0, 0.520821630954742, 0.0, 0.0, 0.0, 0.142857149243355, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.00510204071179032, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 12.0081768035889, 0.0, 0.0, 0.0, 0.0, 0.0, 7.32714033126831, 24.0, 0.0, 0.0, 0.0, 11.3312282562256, 0.0, 0.333333343267441, 29.0, 0.0, 55.0831069946289, 10.0081768035889, 22.0, 0.0, 0.0, 52.2674255371094, 0.0, 0.0, 0.0, 0.0, 53.1347694396973, 0.0, 28.408899307251, 5.03999996185303, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 5.154700756073, 0.0, 0.0, 0.0, 2.64273452758789, 0.0, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 2.48803377151489, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.58496260643005, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.3345066010952, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H5ClO%2Fc1-3%284%292-5%2Fh2-3H%2C1H3, -0.0466516055166721, 0.0, 0.40824830532074 0.40824830532074, -0.0834010913968086, 0.0, 0.0 0.0, 0.0, 0.0343277901411057, 0.0, 0.0 0.0, 0.0, 17.0699996948242, 0.154303357005119 0.154303357005119, 0.5, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 3.69684219360352, 1.0, 0.0, 2.25, 0.0, 1.80103957653046, 0.0, 0.0, 4.0, 0.0, 0.0, 0.377964466810226, 0.0, 0.0, 1.50203418731689, 0.0, 0.0, 0.0, 0.290386110544205, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 13.4872226715088, 0.0, 0.0, 0.0, 0.0, 0.0, 6.28382921218872, 19.0, 0.0, 0.0, 0.0, 8.23556709289551, 0.0, 0.333333343267441, 18.0, 0.0, 154.627593994141, 5.26407766342163, 16.0, 0.0, 0.0, 138.114364624023, 0.0, 0.0, 0.0, 0.0, 115.358932495117, 0.0, 39.6669006347656, 61.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.0, 2.27005553245544, 1.0, 0.0, 0.0, 0.40824830532074, 0.0, 1.0, 0.0, 1.80209517478943, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 3.32192802429199, 0.0, 1.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 0.191449820995331, 0.0, 1.0, 0.0, 0.0
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-InChI%3D1S%2FC7H8N2O2.ClH%2Fc8-9-6-3-1-5%282-4-6%297%2810%2911%3B%2Fh1-4%2C9H%2C8H2%2C%28H%2C10%2C11%29%3B1H, -0.0989009290933609, 0.0, 1.53323936462402 1.53323936462402, 0.00920116249471903, 0.0, 1.58155786991119 1.58155786991119, 0.0, 0.00754281785339117, 0.0, 1.48758697509766 1.48758697509766, 0.0010084513342008, 75.3499984741211, 0.364555716514587 0.364555716514587, 999.0009765625, 0.0, 0.320082038640976 0.320082038640976, 0.0, 0.0, 0.0, 0.0, 0.260942578315735 0.260942578315735, 0.0, 0.0, 12.0, 0.0, 0.0, 6.96695804595947, 1.0, 2.0, 5.61224508285522, 0.0, 3.0377733707428, 0.0, 0.0, 3.515625, 0.0, 0.0, 0.212310209870338, 0.0, 0.0277777779847383, 2.02684044837952, 3.30192732810974, 0.0, 0.0277777779847383, 1.29851746559143, 0.0, 0.0, 0.0, 7.06555128097534, 0.0, 0.709029912948608, , 0.0, 0.0, 0.0152145158499479, 0.423959404230118, 0.0, 0.0, 0.0, 0.0, 0.0, 0.184192270040512, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0603795535862446, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, , 1.0, 4.0, 0.0, 21.98166847229, 1.0, 0.0, 0.0, 0.0, 0.0, 12.190357208252, 525163488.0, 0.0, 0.0, 0.0, 15.9372091293335, 1.0, 0.999000012874603, 11000000512.0, 0.0, 507.905426025391, 14.9931087493896, 50.0, 0.0, 0.0833333358168602, 546.307800292969, 9.82692337036133, 0.0, 0.0, 0.107038088142872, 676.005126953125, 1.0, 573.9990234375, 268.049987792969, 1.31037068367004, 307.674743652344, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.0, 1.0, 0.0, 0.0, 0.0, 8.26758480072021, 0.0, 0.0, 0.0, 5.23638200759888, 0.0, 0.0, 0.0, 0.70412415266037, 0.0, 5.0, 1.0, 4.43307065963745, 0.0, 3.41157078742981, 0.0, 0.0, 0.0, 0.16666667163372, 0.0, 0.0, 2.26314687728882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.55943465232849, 4.58496236801147, 0.0, 0.0, 0.0, 0.0, 1.0, 1.06115663051605, 0.0, 0.0, 0.212933570146561, 0.0, 0.0, 0.0, 0.582466721534729
-InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3, -0.0118375355377793, 0.0, 0.0 0.0, -0.00281726010143757, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0 0.0, 1.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 3.67106771469116, 0.0, 0.0, 2.0, 0.0, 2.09583687782288, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.38873016834259, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 46.2580909729004, 0.0, 0.0, 0.0, 0.0, 0.0, 7.65267562866211, 6.0, 0.0, 0.0, 0.0, 6.65267562866211, 0.0, 0.5, 4.0, 0.0, 111.527198791504, 0.0, 6.0, 0.0, 0.0, 78.1987609863281, 0.0, 0.0, 0.0, 0.0, 31.3256549835205, 0.0, 0.0, 43.0099983215332, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 2.58496260643005, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0293095912784338, 0.0, 2.0, 0.0, 0.0
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-InChI%3D1S%2FC9H11NO2%2Fc1-2-12-8-6-4-3-5-7%288%299%2810%2911%2Fh3-6H%2C2H2%2C1H3%2C%28H2%2C10%2C11%29, -0.114880673587322, 0.0, 1.43877148628235 1.43877148628235, -0.0143129713833332, 0.0, 2.21943998336792 2.21943998336792, 0.0, -0.090301439166069, 1.0, 2.64912605285645 2.64912605285645, 0.13291509449482, 53.310001373291, 0.380551904439926 0.380551904439926, 1.0, 0.0, 0.477492660284042 0.477492660284042, 0.0, 0.0, 0.0, 0.0, 0.459032356739044 0.459032356739044, 0.0, 0.0, 10.0833330154419, 0.0, 0.0, 6.87196969985962, 0.0, 2.0, 4.88888883590698, 0.0, 3.75086307525635, 0.0, 0.0, 2.77777767181396, 0.0, 0.0, 0.186996042728424, 0.0, 0.0277777779847383, 2.27777886390686, 4.50879764556885, 0.0, 0.0252291187644005, 1.4420211315155, 0.0, 0.0, 0.0, 6.5518536567688, 0.0, 0.943641483783722, , 0.0, 0.0, 0.0331477746367455, 0.557740330696106, 0.0, 0.0, 0.0, 0.0, 0.0, 0.215496212244034, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0779455080628395, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 4.0, 0.0, 13.9089260101318, 1.0, 0.25, 0.0, 0.0, 0.0, 13.1624612808228, 112.0, 0.0, 0.0, 0.0, 17.0480194091797, 1.0, 0.5, 197.0, 0.0, 582.609008789062, 16.9928302764893, 54.0, 0.0, 0.0833333358168602, 638.148132324219, 15.6565818786621, 0.0, 0.0, 0.107038088142872, 799.304443359375, 0.0, 747.610229492188, 397.029998779297, 2.38110160827637, 533.525817871094, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.0, 0.0, 0.0, 0.0, 0.0, 8.97469139099121, 0.0, 0.0, 0.0, 5.75321865081787, 0.0, 0.0, 0.0, 0.636082768440247, 0.0, 5.0, 0.0, 4.74108362197876, 0.0, 3.48364186286926, 0.0, 0.0, 0.0, 0.20412415266037, 0.0, 1.0, 2.84321355819702, 0.0, 0.0, 0.0, 1.39104044437408, 0.0, 0.0, 2.00118160247803, 4.58496236801147, 0.0, 1.0, 0.0, 0.766309440135956, 1.0, 1.02576541900635, 0.0, 0.0, 0.26335546374321, 0.0, 2.0, 0.0, 0.440898448228836
-InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H, -0.0352250933647156, 0.0, 0.0 0.0, 0.000525138864759356, 0.0, 0.0 0.0, 0.0, 0.00270005012862384, 0.0, 0.0 0.0, 0.0, 12.8900003433228, 0.0 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.16666650772095, 0.0, 0.0, 3.33396482467651, 0.0, 0.0, 2.22222232818604, 0.0, 1.84973108768463, 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0, 0.0286887660622597, 1.02456390857697, 6.08364343643188, 0.0, 0.0, 0.566487431526184, 1.0, 0.0, 0.0, 0.0, 0.0, 0.312602013349533, , 0.0, 0.0, 0.0, 0.172132596373558, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 5.0, 0.0, 6.35998821258545, 0.0, 0.0, 0.0, 0.0, 0.0, 6.33237028121948, 36.0, 0.0, 0.0, 0.0, 6.33237028121948, 0.0, 0.0, 27.0, 0.0, 214.527816772461, 3.16618514060974, 24.0, 0.0, 0.125, 214.456436157227, 0.0, 0.0, 0.0, 0.0, 214.338394165039, 0.0, 107.139686584473, 91.0100021362305, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 4.24264049530029, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 2.12132024765015, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.75, 3.58496260643005, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0639998093247414, 0.0, 2.0, 0.0, 0.0
-InChI%3D1S%2FCH6N2%2Fc1-3-2%2Fh3H%2C2H2%2C1H3, -0.0123257851228118, 0.0, 0.0 0.0, -0.00267730373889208, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 38.0499992370605, 0.0 0.0, 1.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 2.0773503780365, 0.0, 0.0, 2.0, 0.0, 0.788675129413605, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 3.71997618675232, 0.0, 0.0, 0.0, 0.0, 0.0, 2.52617335319519, 6.0, 0.0, 0.0, 0.0, 1.16618525981903, 0.0, 0.5, 4.0, 0.0, 55.1303482055664, 0.0, 6.0, 0.0, 0.0, 37.9149513244629, 0.0, 0.0, 0.0, 0.0, 16.9173698425293, 1.0, 0.0, 58.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.0, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.58496260643005, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0300061777234077, 0.0, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6-%2Fm1%2Fs1, -0.026647724211216, 0.0, 2.47916269302368 2.47916269302368, -0.243061184883118, 0.0, 2.86081576347351 2.86081576347351, 0.0, 0.00106764759402722, 0.0, 3.16954231262207 3.16954231262207, 0.00247908150777221, 80.9199981689453, 1.00509333610535 1.00509333610535, 0.75, 0.0, 1.10625565052032 1.10625565052032, 0.0, 0.0, 0.0, 2.0, 1.08679091930389 1.08679091930389, 0.0, 0.0, 12.0, 0.0, 0.0, 9.44039058685303, 0.0, 0.0, 5.61224508285522, 0.0, 5.6267523765564, 0.0, 0.0, 3.515625, 0.0, 0.0, 0.382951110601425, 0.0, 0.0, 3.71944761276245, 0.200000002980232, 0.0, 0.0, 2.78131771087646, 0.0, 0.0, 0.0, 3.61440801620483, 0.0, 1.40377366542816, , 0.0, 0.0, 0.0766553282737732, 0.695703029632568, 0.0, 0.0, 0.0, 0.0, 0.0, 0.35623100399971, 0.0, 0.0, 0.0, 0.0, 0.0, 0.214285716414452, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.66881787776947, , 0.0, 0.0, 0.0, 101.614059448242, 0.0, 0.0, 0.0, 0.0, 0.0, 23.6337184906006, 114.0, 0.0, 0.0, 0.0, 27.9620876312256, 4.0, 0.428571432828903, 206.0, 0.0, 681.130615234375, 47.3452606201172, 50.0, 0.0, 0.0, 706.594787597656, 41.906608581543, 0.0, 0.0, 0.0, 827.613708496094, 0.0, 817.472778320312, 397.059997558594, 3.96540641784668, 606.471252441406, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 16.0, 0.0, 0.0, 0.0, 0.0, 9.72361469268799, 0.0, 0.0, 0.0, 5.54011106491089, 0.0, 0.0, 0.0, 0.856304705142975, 0.0, 4.0, 0.0, 4.48929786682129, 0.0, 3.91238260269165, 0.0, 0.0, 0.0, 0.383276641368866, 0.0, 2.0, 1.7799928188324, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.753101885318756, 4.58496236801147, 0.0, 0.0, 0.0, 0.0, 0.0, 0.268245965242386, 0.0, 0.0, 0.443036794662476, 0.0, 2.0, 0.0, 0.0555555559694767
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-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, -0.0243459865450859, 0.25, 4.23766851425171 4.23766851425171, -0.0112260207533836, , 6.63111352920532 6.63111352920532, , -0.00184562150388956, 0.0, 9.66980648040771 9.66980648040771, -0.000124447862617671, 20.2299995422363, 2.54504346847534 2.54504346847534, 0.5, 0.0, 3.04190325737 3.04190325737, 0.0, , 0.0, , 4.01235008239746 4.01235008239746, 0.0, , 14.0625, 0.0, 0.0, 11.6019144058228, 0.0, 4.0, 4.34911251068115, 0.0, 5.8783073425293, , 0.0, 3.25, 0.0, , 2.86690592765808, , 0.020833333954215, 6.70864915847778, 0.5, , 0.050983615219593, 2.8702826499939, 0.0, 0.5, , 5.11154460906982, , 1.92223536968231, , 0.0, , 0.465287566184998, 1.46375644207001, , , 0.144337564706802, 1.41421353816986, , 0.662971496582031, , 0.0, 0.0, , , 0.305070132017136, 0.0, , 0.0, 2.0, 0.0, , 2.0, , , 0.0, 0.0, 0.0, 0.0, , 0.0, 2.0, 0.0, 16.7744693756104, 3.0, 0.0, , 0.0, 0.0, 16.3320922851562, 154.0, , 0.0, 0.0, 26.6641845703125, 1.0, 0.333333343267441, 392.0, 0.0, 1162.05151367188, 26.3283672332764, 84.0, 0.0, 0.0555555559694767, 1343.06982421875, 27.3246440887451, , 0.0, 0.16666667163372, 1959.61437988281, 0.0, 1870.52038574219, 1360.01000976562, 3.53277564048767, 1646.66882324219, 0.0, , 3.88393425941467, 0.0, , , 0.0, 0.0, , 0.0, 0.0, 25.0, 0.0, 0.0, , , 12.723614692688, 0.0, 0.0, 0.0, 7.03171062469482, 0.0, , , 3.44887828826904, 0.0, 3.0, 0.0, 8.38072967529297, 0.577350258827209, 4.80670404434204, 0.0, 0.0, 0.0, 0.843189537525177, 5.04674816131592, 0.0, 3.95738744735718, , 0.0, 0.235702261328697, 3.97268962860107, 0.0, , 3.03390645980835, 5.0, , 7.0, , 9.26410293579102, 0.0, 1.39334714412689, , 0.0, 0.0750797763466835, 5.76183605194092, 7.0, , 0.768928706645966
-InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H, -0.0340428240597248, 0.0, 1.13807117938995 1.13807117938995, -0.0821191072463989, , 1.04044008255005 1.04044008255005, , 0.0340428240597248, , 1.13807117938995 1.13807117938995, -0.00128189276438206, 40.4599990844727, 0.206806227564812 0.206806227564812, 0.333333343267441, 0.0, 0.16243277490139, 0.0, , 0.0, , 0.137870818376541, 0.0, , 6.125, 0.0, 0.0, 4.20382833480835, , 2.0, 2.51999998092651, 0.0, 2.27456378936768, , , 1.48760330677032, , , 0.129099443554878, , 0.0277777779847383, 1.48871433734894, 3.96540641784668, , 0.0248451996594667, 0.881731867790222, , 0.0, , 4.29827976226807, , 0.464163094758987, , , , 0.0166666675359011, 0.259390205144882, , , 0.0, 0.0, , 0.0496903993189335, , , , , , 0.00555555569007993, 0.0, , 0.0, 0.0, 0.0, , 0.0, , , 0.0, , 0.0, 0.333333343267441, , 0.0, 4.0, , 9.54893779754639, 0.0, 0.0, , 0.0, , 8.66418361663818, 54.0, , 0.0, 0.0, 11.3283681869507, , 0.25, 60.0, 0.0, 310.432037353516, 10.1028366088867, 36.0, 0.0, 0.0833333358168602, 331.359985351562, 2.66418385505676, , , 0.16666667163372, 393.240386962891, , 277.594329833984, 140.020004272461, 1.0, 60.4979057312012, 0.0, , 0.0, , , , , , , 0.0, 0.0, 8.0, 0.0, 0.0, , , 5.98312759399414, , 0.0, 0.0, 3.80453038215637, 0.0, , , 0.471404522657394, 0.0, 6.0, 0.0, 3.23902487754822, 0.0, 2.54033637046814, 0.0, , 0.0, 0.16666667163372, 0.0, 0.0, 1.50166130065918, , 0.0, 0.0, 0.0, 0.0, , 1.02437734603882, 4.0, , 0.0, , 0.0, 0.0, 0.333333343267441, , 0.0, 0.166801989078522, 0.0, 0.0, , 0.0833333358168602
-InChI%3D1S%2FC12H12N2.2ClH%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%3B%3B%2Fh1-8H%2C13-14H2%3B2%2A1H, -0.017318457365036, 0.0, 1.75930559635162 1.75930559635162, -0.008943697437644, 0.0, 2.1989119052887 2.1989119052887, 0.0, -0.000669002300128341, 0.0, 2.88035488128662 2.88035488128662, 0.000228936507483013, 52.0400009155273, 0.607122421264648 0.607122421264648, 999.0009765625, 0.0, 0.66037505865097 0.66037505865097, 0.0, 0.0, 0.0, 0.0, 0.709639012813568 0.709639012813568, 0.0, 0.0, 16.0, 0.0, 0.0, 10.2229928970337, 0.0, 4.0, 7.34999990463257, 0.0, 4.47008466720581, 0.0, 0.0, 4.42361116409302, 0.0, 0.0, 0.359116762876511, 0.0, 0.0555555559694767, 3.24401688575745, 9.90748405456543, 0.0, 0.0598527938127518, 2.15470051765442, 0.0, 0.0, 0.0, 14.0599384307861, 0.0, 1.35113930702209, , 0.0, 0.0, 0.0277777779847383, 0.940455734729767, 0.0, 0.0, 0.0, 0.0, 0.0, 0.453038930892944, 0.0, 0.0, 0.0, 0.0, 0.0, 0.220227867364883, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 8.0, 0.0, 32.1454849243164, 2.0, 0.0, 0.0, 0.0, 0.0, 15.3323707580566, -64771104.0, 0.0, 0.0, 0.0, 20.6647415161133, 0.0, 0.999000012874603, 28999999488.0, 0.0, 877.401062011719, 18.6647415161133, 70.0, 0.0, 0.16666667163372, 973.666687011719, 12.3323707580566, 0.0, 0.0, 0.262891709804535, 1273.98278808594, 0.0, 1134.39038085938, 601.039978027344, 1.89484846591949, 750.532104492188, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.111111111938953, 0.0, 18.0, 0.0, 0.0, 0.0, 0.0, 9.96625518798828, 0.0, 0.0, 0.0, 6.75402021408081, 0.0, 0.0, 0.0, 0.910683631896973, 0.0, 10.0, 2.0, 6.03990364074707, 0.0, 4.7876935005188, 0.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.0, 3.51453518867493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.00613451004028, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.83991479873657, 0.0, 0.0, 0.0539545640349388, 0.0, 0.0, 0.0, 1.04034233093262
-InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3, -0.256348609924316, 0.0, 1.32770919799805 1.32770919799805, 0.0865051746368408, 0.0, 2.12406396865845 2.12406396865845, 0.0, -0.00201316713355482, 0.0, 2.34669089317322 2.34669089317322, -0.000186635719728656, 18.4599990844727, 0.473270982503891 0.473270982503891, 0.75, 0.0, 0.643812596797943 0.643812596797943, 0.0, 0.0, 0.0, 0.0, 0.595945954322815 0.595945954322815, 0.0, 0.0, 8.59171581268311, 0.0, 0.0, 7.16986751556396, 0.0, 3.0, 3.80622839927673, 0.0294627826660872, 4.28429269790649, 0.0, 0.0, 1.85950410366058, 0.0, 0.0, 0.235702261328697, 0.0, 0.0580769516527653, 2.93761372566223, 5.57554531097412, 0.0, 0.0647992268204689, 1.9756555557251, 0.0, 0.0, 0.0, 8.83114051818848, 0.0, 1.38513076305389, , 0.0, 0.0, 0.0138888889923692, 0.811331570148468, 0.0, 0.0, 0.0, 0.0, 0.0, 0.448507010936737, 0.0, 2.0, 0.0, 0.0, 0.0, 0.258580714464188, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 3.0, 0.0, 13.5489377975464, 1.0, 0.0, 0.0, 0.0, 0.0, 14.3283681869507, 140.0, 0.0, 0.0, 0.0, 19.1028366088867, 0.0, 0.428571432828903, 197.0, 0.117851130664349, 613.731811523438, 15.3283681869507, 60.0, 0.0, 0.234708055853844, 692.272216796875, 10.9962759017944, 0.0, 0.0, 0.310301214456558, 906.129028320312, 0.0, 735.337097167969, 493.019989013672, 1.65096366405487, 485.552154541016, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.0, 0.0, 8.38890552520752, 0.0, 0.0, 0.0, 5.89817810058594, 0.0, 0.0, 0.0, 0.537457466125488, 0.5, 7.0, 0.0, 4.91881608963013, 0.0, 4.09520864486694, 0.0, 0.0, 0.0, 0.0833333358168602, 0.0, 3.0, 3.47019290924072, 0.0, 0.0, 0.0, 1.86186528205872, 0.0, 0.0, 2.41545534133911, 4.58496236801147, 0.0, 1.0, 0.0, 0.669432938098907, 0.0, 1.60457706451416, 0.0, 0.0, 0.344092339277267, 0.0, 1.0, 0.0, 1.09054040908813
-InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, -0.105715855956078, 0.0, 1.05047678947449 1.05047678947449, 0.0160901062190533, , 1.38447082042694 1.38447082042694, , -0.0116178514435887, , 1.6854807138443, -0.0537859573960304, 52.8199996948242, 0.259400397539139, 0.75, 0.0, 0.290459334850311, 0.0, , 0.0, , 0.271665543317795, 0.0, , 9.09090900421143, 0.0, 0.0, 6.15104198455811, , 2.0, 4.13265323638916, 0.0, 3.21579432487488, , , 3.26530623435974, , , 0.249071195721626, , 0.0277777779847383, 2.17541480064392, 3.30192732810974, , 0.0248451996594667, 1.14061212539673, , 0.0, , 6.29469060897827, , 0.71400249004364, , , , 0.0, 0.431203037500381, , , 0.0, 0.0, , 0.141808107495308, , , , , , 0.0676819086074829, 0.0, , 0.0, 0.0, 0.0, , , , , 0.0, , 0.0, 0.142857149243355, , 1.0, 4.0, , 12.9089260101318, 0.0, 0.0, , 0.0, , 11.9965543746948, 115.0, , , 0.0, 16.0482978820801, , 0.428571432828903, 166.0, 0.0, 492.451721191406, 12.3286466598511, 50.0, 0.0, 0.0833333358168602, 529.390014648438, 9.16246128082275, , , 0.142258897423744, 645.596069335938, , 511.763366699219, 290.029998779297, 0.965489387512207, 331.091003417969, 0.0, , 0.0, , , , , , , 0.0, 0.0, 11.0, 0.0, 0.0, , , 8.26758480072021, , 0.0, 0.0, 5.18154048919678, 0.0, , , 0.901047587394714, 0.0, 6.0, , 4.75544691085815, 0.0, 2.94016623497009, 0.0, , , 0.0, 0.0, 0.0, 2.23148417472839, , 0.0, 0.0, 0.894427180290222, 0.0, , 1.74555850028992, 4.45943164825439, , 1.0, , 1.14471423625946, 1.0, 0.788991153240204, , 0.0, 0.223567694425583, 0.0, 1.0, , 0.532657027244568
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-InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2, -0.181732878088951, 0.0, 0.0 0.0, -0.181732878088951, 0.0, 0.0 0.0, 0.0, 0.181732878088951, 0.0, 0.0 0.0, 0.0, 18.4599990844727, 0.0 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 4.16666650772095, 0.0, 0.0, 3.6449236869812, 0.0, 0.0, 2.22222232818604, 0.0, 2.15470051765442, 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0, 0.0416666679084301, 1.22474491596222, 3.30192732810974, 0.0, 0.0, 0.744016945362091, 0.0, 0.0, 0.0, 0.0, 0.0, 0.439826399087906, , 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 7.54893827438354, 0.0, 0.0, 0.0, 0.0, 0.0, 7.32836771011353, 36.0, 0.0, 0.0, 0.0, 7.32836771011353, 0.0, 0.0, 27.0, 0.0, 169.214233398438, 3.77446913719177, 24.0, 0.0, 0.125, 169.141845703125, 0.0, 0.0, 0.0, 0.0, 169.141845703125, 0.0, 84.6071166992188, 166.020004272461, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 4.24264049530029, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 2.12132024765015, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 1.06066012382507, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.75, 3.58496260643005, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.363465756177902, 0.0, 4.0, 0.0, 0.0
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-InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2%2Fb2-1%2B, -0.0332078598439693, 0.0, 0.0 0.0, 0.0113530382514, 0.0, 0.0 0.0, 0.0, -0.0365978591144085, 0.0, 0.0 0.0, 0.0198230687528849, 0.0, 0.0 0.0, 1.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 4.12959432601929, 0.0, 0.0, 4.0, 0.0, 2.19801902770996, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0765768289566, 2.38110160827637, 0.0, 0.0, 0.534522473812103, 0.0, 0.0, 0.0, 0.0, 0.0, 0.303045749664307, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 20.4255065917969, 0.0, 0.0, 0.0, 0.0, 0.0, 7.90347480773926, 24.0, 0.0, 0.0, 0.0, 6.90347480773926, 0.0, 0.5, 20.0, 0.0, 206.063125610352, 5.90347480773926, 14.0, 0.0, 0.0, 174.897933959961, 8.71275329589844, 0.0, 0.0, 0.0, 125.042137145996, 0.0, 74.689338684082, 44.0200004577637, 0.0, 28.1061096191406, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 4.12132024765015, 0.0, 0.0, 1.0, 2.41421365737915, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.35355341434479, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.353553384542465, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0772592276334763, 0.0, 1.0, 0.0, 0.0
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-InChI%3D1S%2FC9H13N.ClH%2Fc1-6-4-7%282%299%2810%298%283%295-6%3B%2Fh4-5H%2C10H2%2C1-3H3%3B1H, -0.00886556040495634, 0.0, 2.00613451004028 2.00613451004028, -0.00386322080157697, 0.0, 2.69851565361023 2.69851565361023, 0.0, -0.000693121750373393, 0.0, 3.27736973762512 3.27736973762512, -6.39677546132589e-06, 26.0200004577637, 0.849679350852966 0.849679350852966, 999.0009765625, 0.0, 1.12373566627502 1.12373566627502, 0.0, 0.0, 0.0, 0.0, 1.08678770065308 1.08678770065308, 0.0, 0.0, 11.0, 0.0, 0.0, 7.95679569244385, 0.0, 4.0, 4.13265323638916, 0.0, 3.44337558746338, 0.0, 0.0, 2.5, 0.0, 0.0, 0.527510583400726, 0.0, 0.020833333954215, 2.8123927116394, 0.5, 0.0, 0.0745281279087067, 1.73803389072418, 0.0, 0.0, 0.0, 5.11154460906982, 0.0, 1.19118571281433, , 0.0, 0.0, 0.0833333358168602, 0.484116762876511, 0.0, 0.0, 0.0, 0.0, 0.0, 0.262891709804535, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0240562614053488, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 2.0, 0.0, 19.0727424621582, 3.0, 0.0, 0.0, 0.0, 0.0, 10.1661853790283, -1474836480.0, 0.0, 0.0, 0.0, 14.3323707580566, 0.0, 0.999000012874603, 10000000000.0, 0.0, 584.841003417969, 13.664740562439, 48.0, 0.0, 0.0555555559694767, 635.339721679688, 7.16618537902832, 0.0, 0.0, 0.222222223877907, 836.310852050781, 0.0, 706.945068359375, 466.019989013672, 3.53277564048767, 323.829498291016, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.0, 0.0, 0.0, 0.0, 0.0, 7.72361469268799, 0.0, 0.0, 0.0, 4.60906076431274, 0.0, 0.0, 0.0, 0.952529728412628, 0.0, 3.0, 1.0, 4.39026069641113, 0.0, 3.34344482421875, 0.0, 0.0, 0.0, 0.272165536880493, 0.75, 0.0, 2.35571956634521, 0.0, 0.0, 0.0, 2.38110160827637, 0.0, 0.0, 1.30466866493225, 4.45943164825439, 0.0, 3.0, 0.0, 5.4989185333252, 0.0, 0.69780433177948, 0.0, 0.0, 0.0268570054322481, 0.0, 3.0, 0.0, 0.111111111938953
-InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H, 0.0, 0.0, 3.64273452758789 3.64273452758789, -0.149364098906517, 0.0, 4.97606754302979 4.97606754302979, 0.0, -0.0746820494532585, 0.0, 7.01965713500977 7.01965713500977, 0.0, 0.0, 4.48108768463135 4.48108768463135, 0.25, 0.0, 6.42127370834351 6.42127370834351, 0.0, 0.0, 0.0, 0.0, 9.34938430786133 9.34938430786133, 0.0, 0.0, 10.0833330154419, 0.0, 0.0, 10.2674617767334, 0.0, 0.0, 3.3950617313385, 0.0, 5.92792224884033, 0.0, 0.0, 1.5625, 0.0, 0.0, 1.30930733680725, 0.0, 0.0370370373129845, 5.69027423858643, 0.0, 0.0, 0.251976311206818, 5.8567099571228, 0.0, 0.0, 0.0, 0.0, 0.0, 3.38137316703796, , 0.0, 0.0, 0.857142865657806, 1.95223665237427, 0.0, 0.0, 0.0, 0.0, 0.0, 0.998824298381805, 0.0, 0.0, 0.0, 6.0, 0.0, 0.28571429848671, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 58.2765197753906, 0.0, 0.0, 0.0, 0.0, 0.0, 23.7104244232178, 102.0, 0.0, 0.0, 0.0, 41.4208488464355, 0.0, 0.200000002980232, 174.0, 0.0, 1161.49096679688, 90.6973724365234, 60.0, 0.0, 0.0370370373129845, 1349.00231933594, 69.986946105957, 0.0, 0.0, 0.222222223877907, 1878.3134765625, 0.0, 1810.26770019531, 192.059997558594, 9.12546539306641, 871.111022949219, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 21.0, 0.0, 0.0, 0.0, 0.0, 9.46410179138184, 0.0, 0.0, 0.0, 5.46410179138184, 0.0, 0.0, 0.0, 1.15470051765442, 0.0, 6.0, 0.0, 5.154700756073, 0.0, 4.97606754302979, 0.0, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 2.87293410301208, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.65868926048279, 4.58496236801147, 0.0, 0.0, 0.0, 0.0, 0.0, 0.829344630241394, 0.0, 0.0, 0.298728197813034, 0.0, 0.0, 0.0, 0.222222223877907
-InChI%3D1S%2FC6H11N2O4PS3%2Fc1-10-5-7-8%286%289%2916-5%294-15-13%2814%2C11-2%2912-3%2Fh4H2%2C1-3H3, -0.558658480644226, 0.0, 3.23994326591492 3.23994326591492, 0.404795527458191, 0.0, 3.72170567512512 3.72170567512512, 1.0, -0.377963572740555, 0.0, 2.95650362968445 2.95650362968445, 0.273106426000595, , 4.84628915786743 4.84628915786743, 0.800000011920929, 0.0, 4.73431158065796 4.73431158065796, 0.0, 0.0, 1.0, 0.0, 2.88943338394165 2.88943338394165, 0.0, 0.0, 14.0625, 0.0, 0.0, 12.3805389404297, 1.0, 0.0, 6.07438039779663, 0.079056940972805, 9.28397274017334, 0.0, 0.0, 3.76923084259033, 0.0, 0.0, 2.52608823776245, 0.0, 0.120451420545578, 10.0856027603149, 0.0, 0.0, 0.159559890627861, 8.24663734436035, 0.0, 0.335410207509995, 0.0, 0.816496610641479, 1.0, 4.28214693069458, , 0.0, 0.0, 0.0395284704864025, 2.86309313774109, 0.0, 0.0, 0.0, 0.0, 0.0, 2.40738558769226, 0.0, 3.0, 0.0, 0.0, 0.0, 1.74768614768982, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 43.8515243530273, 0.0, 0.57235711812973, 2.0, 0.0, 0.0, 40.168758392334, 220.0, 0.0, 0.0, 0.0, 56.9230194091797, 0.0, 0.444444447755814, 471.0, 0.0962250456213951, 1121.36865234375, 42.0769119262695, 76.0, 0.0, 0.232307806611061, 1267.97473144531, 33.4333229064941, 0.0, 0.0, 0.300349175930023, 1659.59936523438, 1.0, 1393.51989746094, 601.099975585938, 0.5, 1041.43579101562, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 21.0, 0.0, 0.0, 0.0, 0.0, 12.1817979812622, 0.0, 0.0, 0.0, 7.54215383529663, 0.0, 0.0, 0.0, 1.53326976299286, 0.650697648525238, 0.0, 0.0, 6.53948402404785, 0.176776692271233, 5.5490779876709, 0.0, 0.0, 0.0, 0.117851130664349, 0.436790227890015, 1.0, 3.34803152084351, 0.0, 0.0, 0.0, 0.696238338947296, 0.0, 0.0, 2.1934506893158, 5.0, 0.0, 3.0, 0.0, 1.22054314613342, 0.0, 1.46130645275116, 0.0, 0.0, 0.716129004955292, 0.0, 0.0, 0.0, 0.777895987033844
\ No newline at end of file
diff --git a/5x_cv/RAT_constitutional.csv b/5x_cv/RAT_constitutional.csv
deleted file mode 100644
index 92b9f3a..0000000
--- a/5x_cv/RAT_constitutional.csv
+++ /dev/null
@@ -1,563 +0,0 @@
-SMILES,nAtomP,nAtom,MLogP,nB,ALogP,LipinksiFailures,naAromAtom,nRotB,XLogP,LipinskiFailures,AMR,nHBDon,ALogp2,nAtomLAC,nAromBond,nAtomLC
-InChI%3D1S%2FC8H5N3O4S%2Fc12-4-9-8-10-5%283-16-8%296-1-2-7%2815-6%2911%2813%2914%2Fh1-4H%2C%28H%2C9%2C10%2C12%29, 16.0, 21.0, 1.46000003814697, 17.0, 0.239399999380112, , 10.0, 3.0, 1.51699995994568, 0.0, 22.1271991729736, 1.0, 0.0573123581707478, 0.0, 10.0, 3.0
-InChI%3D1S%2FC17H21N3.ClH%2Fc1-19%282%2915-9-5-13%286-10-15%2917%2818%2914-7-11-16%2812-8-14%2920%283%294%3B%2Fh5-12%2C18H%2C1-4H3%3B1H, 16.0, 43.0, 2.89000010490417, 21.0, 0.330000013113022, , 12.0, 4.0, 4.52699995040894, 0.0, 35.1859016418457, 1.0, 0.108900003135204, 0.0, 12.0, 3.0
-InChI%3D1S%2FC2H5ClO%2Fc1-4-2-3%2Fh2H2%2C1H3, 0.0, 9.0, 1.46000003814697, 3.0, 0.487399995326996, , 0.0, 1.0, 0.426999986171722, 0.0, 17.6518993377686, 0.0, 0.237558767199516, 0.0, 0.0, 4.0
-InChI%3D1S%2FC18H25NO7%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2925-9-13-4-6-19%2824%297-5-14%2815%2813%2919%2926-16%2812%2921%2Fh3-4%2C11%2C14-15%2C20%2C23H%2C5-10H2%2C1-2H3%2Ft11-%2C14%3F%2C15-%2C18-%2C19%3F%2Fm1%2Fs1, 5.0, 51.0, 2.55999994277954, 28.0, -0.875400006771088, , 0.0, 1.0, -1.13999998569489, 0.0, 86.7670974731445, 2.0, 0.766325175762177, 2.0, 0.0, 2.0
-InChI%3D1S%2FC6H12N2O3%2Fc1-2-3-8%287-11%294-6%2810%295-9%2Fh2%2C6%2C9-10H%2C1%2C3-5H2, 3.0, 23.0, 1.57000005245209, 10.0, -0.342500001192093, , 0.0, 6.0, -1.04100000858307, 0.0, 41.4679985046387, 2.0, 0.117306247353554, 3.0, 0.0, 11.0
-InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3, 2.0, 12.0, 1.78999996185303, 4.0, 1.8507000207901, , 0.0, 0.0, 1.71300005912781, 0.0, 24.7329006195068, 0.0, 3.42509055137634, 3.0, 0.0, 5.0
-InChI%3D1S%2FCH2O3.K%2Fc2-1%283%294%3B%2Fh%28H2%2C2%2C3%2C4%29%3B%2Fq%3B%2B1%2Fp-1, 4.0, 6.0, 1.12999999523163, 3.0, , , 0.0, 0.0, -0.711000025272369, 0.0, , 1.0, , 0.0, 0.0, 4.0
-InChI%3D1S%2FC12H10N2O%2Fc15-13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H, 15.0, 25.0, 2.45000004768372, 16.0, -0.113799996674061, , 12.0, 3.0, 4.81099987030029, 0.0, 8.65709972381592, 0.0, 0.0129504399374127, 0.0, 12.0, 3.0
-InChI%3D1S%2FC8H6N4O5%2Fc13-6-4-11%288%2814%2910-6%299-3-5-1-2-7%2817-5%2912%2815%2916%2Fh1-3H%2C4H2%2C%28H%2C10%2C13%2C14%29%2Fb9-3%2B, 16.0, 23.0, 1.35000002384186, 18.0, -1.28090000152588, , 5.0, 3.0, 0.880999982357025, 0.0, 32.3368988037109, 1.0, 1.64070475101471, 0.0, 5.0, 2.0
-InChI%3D1S%2FC16H11NO2%2Fc18-17%2819%2914-9-7-12-5-4-10-2-1-3-11-6-8-13%2814%2916%2812%2915%2810%2911%2Fh1-9%2C15-16H, 19.0, 28.0, 2.89000010490417, 22.0, -0.0465999990701675, , 16.0, 1.0, 6.95699977874756, 1.0, 2.88579988479614, 0.0, 0.00217155995778739, 0.0, 19.0, 3.0
-InChI%3D1S%2FC16H14N4O3S%2Fc21-20%2822%2914-6-5-13%2824-14%2915-17-12-4-2-1-3-11%2812%2916%2818-15%2919-7-9-23-10-8-19%2Fh1-6H%2C7-10H2, 19.0, 38.0, 2.33999991416931, 27.0, 0.449499994516373, , 15.0, 3.0, 3.39000010490417, 0.0, 34.0452003479004, 0.0, 0.202050253748894, 0.0, 16.0, 3.0
-InChI%3D1S%2FC4H9N3O3%2Fc5-4%289%297%286-10%292-1-3-8%2Fh8H%2C1-3H2%2C%28H2%2C5%2C9%29, 6.0, 19.0, 1.24000000953674, 9.0, -0.402099996805191, , 0.0, 5.0, -0.5, 0.0, 32.0351982116699, 3.0, 0.161684408783913, 3.0, 0.0, 10.0
-InChI%3D1S%2FC7H6N6O3%2Fc8-6-10-5%2811-7%289%2912-6%293-1-2-4%2816-3%2913%2814%2915%2Fh1-2H%2C%28H4%2C8%2C9%2C10%2C11%2C12%29, 8.0, 24.0, 1.24000000953674, 17.0, -0.496199995279312, , 5.0, 2.0, 1.74699997901917, 0.0, 27.5818004608154, 5.0, 0.246214434504509, 0.0, 5.0, 2.0
-InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2, 11.0, 17.0, 1.57000005245209, 11.0, -1.25680005550385, , 6.0, 1.0, 1.54799997806549, 0.0, 9.67249965667725, 2.0, 1.57954621315002, 0.0, 6.0, 2.0
-InChI%3D1S%2FC18H23NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C14-15%2C20%2C23H%2C2%2C5-10H2%2C1H3%2Ft14-%2C15%3F%2C18-%2Fm1%2Fs1, 5.0, 48.0, 2.67000007629395, 27.0, 0.235100001096725, , 0.0, 1.0, 0.137999996542931, 0.0, 88.9273986816406, 2.0, 0.0552720092236996, 2.0, 0.0, 2.0
-InChI%3D1S%2FC4H8N2O%2Fc7-5-6-3-1-2-4-6%2Fh1-4H2, 3.0, 15.0, 1.57000005245209, 7.0, -0.666599988937378, , 0.0, 1.0, 0.46000000834465, 0.0, 23.9046993255615, 0.0, 0.444355547428131, 0.0, 0.0, 2.0
-InChI%3D1S%2FC11H10N4%2Fc1-7-3-2-6-15-10%287%2913-8-4-5-9%2812%2914-11%288%2915%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29, 3.0, 31.0, 2.23000001907349, 17.0, -0.0604000017046928, , 0.0, 0.0, 1.86600005626678, 0.0, 41.2084999084473, 3.0, 0.00364816002547741, 0.0, 5.0, 0.0
-InChI%3D1S%2FC6H10N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-4H%2C1-2%2C5-6H2, 3.0, 19.0, 1.78999996185303, 8.0, 1.32439994812012, , 0.0, 5.0, 0.954999983310699, 0.0, 38.3759002685547, 0.0, 1.75403535366058, 3.0, 0.0, 9.0
-InChI%3D1S%2FC9H8N4O5%2Fc1-5%2814%2910-4-7-11-9%2812-18-7%296-2-3-8%2817-6%2913%2815%2916%2Fh2-3H%2C4H2%2C1H3%2C%28H%2C10%2C14%29, 8.0, 26.0, 1.46000003814697, 19.0, -0.639100015163422, , 5.0, 4.0, 1.18900001049042, 0.0, 24.550199508667, 1.0, 0.408448815345764, 2.0, 10.0, 5.0
-InChI%3D1S%2FC12H9NO%2Fc13-8-5-6-10-9-3-1-2-4-11%289%2914-12%2810%297-8%2Fh1-7H%2C13H2, 14.0, 23.0, 2.55999994277954, 16.0, -0.903999984264374, , 12.0, 0.0, 3.03299999237061, 0.0, 5.84119987487793, 1.0, 0.817215979099274, 0.0, 15.0, 0.0
-InChI%3D1S%2FC11H10N6O5%2Fc1-5%2818%2912-10-14-9%2815-11%2816-10%2913-6%282%2919%297-3-4-8%2822-7%2917%2820%2921%2Fh3-4H%2C1-2H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%2C18%2C19%29, 20.0, 32.0, 1.46000003814697, 23.0, -0.344099998474121, , 11.0, 4.0, 1.70799994468689, 0.0, 32.3064994812012, 2.0, 0.118404813110828, 2.0, 11.0, 4.0
-InChI%3D1S%2FC6H14N2O%2Fc1-5%282%297-8%289%296%283%294%2Fh5-6H%2C1-4H3, 3.0, 23.0, 1.78999996185303, 8.0, -0.654399991035461, , 0.0, 2.0, 1.39400005340576, 0.0, 34.1467018127441, 0.0, 0.428239345550537, 3.0, 0.0, 9.0
-InChI%3D1S%2FC5H10ClN3O3%2Fc6-1-2-7-5%2811%299%288-12%293-4-10%2Fh10H%2C1-4H2%2C%28H%2C7%2C11%29, 6.0, 22.0, 1.24000000953674, 11.0, 0.429199993610382, , 0.0, 6.0, -0.291000008583069, 0.0, 43.9767990112305, 2.0, 0.184212639927864, 2.0, 0.0, 12.0
-InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2, 5.0, 27.0, 1.67999994754791, 19.0, 2.72370004653931, , 0.0, 3.0, 2.76999998092651, 0.0, 77.7978973388672, 0.0, 7.41854190826416, 2.0, 0.0, 7.0
-InChI%3D1S%2FC10H9N%2Fc11-10-6-5-8-3-1-2-4-9%288%297-10%2Fh1-7H%2C11H2, 11.0, 20.0, 2.45000004768372, 12.0, -0.749899983406067, , 10.0, 0.0, 3.8529999256134, 0.0, 4.22209978103638, 1.0, 0.562350034713745, 0.0, 11.0, 0.0
-InChI%3D1S%2FC16H12N2O%2Fc19-15-11-10-12-6-4-5-9-14%2812%2916%2815%2918-17-13-7-2-1-3-8-13%2Fh1-11%2C19H%2Fb18-17%2B, 19.0, 31.0, 2.89000010490417, 21.0, -0.460299998521805, , 16.0, 2.0, 6.59100008010864, 1.0, 2.56459999084473, 1.0, 0.211876094341278, 0.0, 17.0, 2.0
-InChI%3D1S%2FC6H14NO4P%2Fc1-9-12%288%2C10-2%297-3-5-11-6-4-7%2Fh3-6H2%2C1-2H3, 5.0, 26.0, 1.46000003814697, 12.0, -0.545499980449677, , 0.0, 3.0, -1.04700005054474, 0.0, 44.0197982788086, 0.0, 0.297570258378983, 0.0, 0.0, 6.0
-InChI%3D1S%2FC10H12N4O5%2Fc15-6-5-12-3-4-13%2810%2812%2916%2911-7-8-1-2-9%2819-8%2914%2817%2918%2Fh1-2%2C7%2C15H%2C3-6H2%2Fb11-7-, 14.0, 31.0, 1.57000005245209, 20.0, -1.27649998664856, , 5.0, 5.0, 0.437000006437302, 0.0, 43.4118995666504, 1.0, 1.62945222854614, 2.0, 5.0, 3.0
-InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H, 7.0, 15.0, 2.23000001907349, 10.0, -0.154100000858307, , 6.0, 0.0, 2.64599990844727, 0.0, 1.61909997463226, 0.0, 0.0237468108534813, 0.0, 10.0, 0.0
-InChI%3D1S%2FC18H12O6%2Fc1-21-11-7-12-13%288-5-6-22-18%288%2924-12%2917-15%2811%2916%2820%2914-9%2819%293-2-4-10%2814%2923-17%2Fh2-8%2C18-19H%2C1H3, 18.0, 36.0, 2.77999997138977, 28.0, -1.46529996395111, , 12.0, 1.0, 1.72200000286102, 0.0, 35.6242980957031, 1.0, 2.14710402488708, 0.0, 12.0, 2.0
-InChI%3D1S%2FC10H13N3O2%2Fc1-13%2812-15%297-3-5-10%2814%299-4-2-6-11-8-9%2Fh2%2C4%2C6%2C8H%2C3%2C5%2C7H2%2C1H3, 8.0, 28.0, 2.00999999046326, 15.0, -0.51690000295639, , 6.0, 6.0, 0.605000019073486, 0.0, 31.8728008270264, 0.0, 0.267185598611832, 4.0, 6.0, 9.0
-InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3, 3.0, 26.0, 1.89999997615814, 11.0, 3.16650009155273, , 0.0, 6.0, 2.74499988555908, 0.0, 62.7835998535156, 0.0, 10.0267219543457, 3.0, 0.0, 12.0
-InChI%3D1S%2FC7H10N2.2ClH%2Fc1-5-2-3-6%288%294-7%285%299%3B%3B%2Fh2-4H%2C8-9H2%2C1H3%3B2%2A1H, 8.0, 23.0, 1.78999996185303, 9.0, -0.857800006866455, , 6.0, 0.0, 1.87199997901917, 0.0, 13.9462995529175, 2.0, 0.735820829868317, 0.0, 6.0, 0.0
-InChI%3D1S%2FC20H14N2O10S3.3Na%2Fc23-16-7-5-11-9-12%2833%2824%2C25%2926%2910-18%2835%2830%2C31%2932%2919%2811%2920%2816%2922-21-15-6-8-17%2834%2827%2C28%2929%2914-4-2-1-3-13%2814%2915%3B%3B%3B%2Fh1-10%2C23H%2C%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%28H%2C30%2C31%2C32%29%3B%3B%3B%2Fq%3B3%2A%2B1%2Fp-3%2Fb22-21%2B%3B%3B%3B, 35.0, 49.0, 1.67999994754791, 38.0, , , 20.0, 5.0, 1.85800004005432, 1.0, , 1.0, , 0.0, 22.0, 3.0
-InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3, 0.0, 9.0, 1.57000005245209, 2.0, -0.107600003480911, , 0.0, 0.0, -0.0759999975562096, 0.0, 12.555100440979, 1.0, 0.0115777598693967, 2.0, 0.0, 3.0
-InChI%3D1S%2FC13H14N2.2ClH%2Fc14-12-5-1-10%282-6-12%299-11-3-7-13%2815%298-4-11%3B%3B%2Fh1-8H%2C9%2C14-15H2%3B2%2A1H, 7.0, 33.0, 2.45000004768372, 16.0, -1.04359996318817, , 12.0, 2.0, 4.71500015258789, 0.0, 13.0452003479004, 2.0, 1.08910095691681, 0.0, 12.0, 0.0
-InChI%3D1S%2FC32H24N6O14S4.4Na%2Fc33-23-13-21%2853%2841%2C42%2943%299-17-11-25%2855%2847%2C48%2949%2929%2831%2839%2927%2817%2923%2937-35-19-5-1-15%282-6-19%2916-3-7-20%288-4-16%2936-38-30-26%2856%2850%2C51%2952%2912-18-10-22%2854%2844%2C45%2946%2914-24%2834%2928%2818%2932%2830%2940%3B%3B%3B%3B%2Fh1-14%2C39-40H%2C33-34H2%2C%28H%2C41%2C42%2C43%29%28H%2C44%2C45%2C46%29%28H%2C47%2C48%2C49%29%28H%2C50%2C51%2C52%29%3B%3B%3B%3B%2Fq%3B4%2A%2B1%2Fp-4%2Fb37-35-%2C38-36%2B%3B%3B%3B%3B, 56.0, 80.0, 1.89999997615814, 61.0, , , 32.0, 9.0, 1.89999997615814, 1.0, , 4.0, , 0.0, 34.0, 3.0
-InChI%3D1S%2FC5H11Cl2N%2Fc1-8%284-2-6%295-3-7%2Fh2-5H2%2C1H3, 0.0, 19.0, 1.67999994754791, 7.0, 1.65050005912781, , 0.0, 4.0, 1.59300005435944, 0.0, 38.6747016906738, 0.0, 2.72415018081665, 2.0, 0.0, 8.0
-InChI%3D1S%2FC6H13NO%2Fc1-4-7%285-2%296%283%298%2Fh4-5H2%2C1-3H3, 3.0, 21.0, 1.89999997615814, 7.0, 0.0804999992251396, , 0.0, 3.0, 0.698000013828278, 0.0, 32.8469009399414, 0.0, 0.00648025004193187, 2.0, 0.0, 8.0
-InChI%3D1S%2FC8H10O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-7%2C9H%2C1H3, 6.0, 19.0, 2.23000001907349, 9.0, -0.459399998188019, , 6.0, 1.0, 2.86899995803833, 0.0, 11.8612003326416, 1.0, 0.211048364639282, 2.0, 6.0, 3.0
-InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2, 0.0, 9.0, 1.35000002384186, 4.0, 0.924300014972687, , 0.0, 2.0, 0.833999991416931, 0.0, 22.2912998199463, 0.0, 0.854330480098724, 0.0, 0.0, 5.0
-InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H, 15.0, 25.0, 2.45000004768372, 16.0, -0.443699985742569, , 12.0, 3.0, 4.23400020599365, 0.0, 4.74289989471436, 1.0, 0.196869686245918, 0.0, 12.0, 2.0
-InChI%3D1S%2FC4H10N2O2%2Fc1-6%285-8%293-2-4-7%2Fh7H%2C2-4H2%2C1H3, 3.0, 18.0, 1.46000003814697, 7.0, -0.736599981784821, , 0.0, 4.0, -0.625999987125397, 0.0, 29.2544002532959, 1.0, 0.542579531669617, 3.0, 0.0, 8.0
-InChI%3D1S%2FC6H10N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh3-4H2%2C1-2H3, 3.0, 21.0, 1.57000005245209, 10.0, -1.02520000934601, , 0.0, 5.0, -0.981000006198883, 0.0, 39.3218994140625, 0.0, 1.05103504657745, 3.0, 0.0, 11.0
-InChI%3D1S%2FC20H14N2O10S3.3Na%2Fc23-20-18%2835%2830%2C31%2932%2910-11-9-12%2833%2824%2C25%2926%295-6-13%2811%2919%2820%2922-21-16-7-8-17%2834%2827%2C28%2929%2915-4-2-1-3-14%2815%2916%3B%3B%3B%2Fh1-10%2C23H%2C%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%28H%2C30%2C31%2C32%29%3B%3B%3B%2Fq%3B3%2A%2B1%2Fp-3%2Fb22-21%2B%3B%3B%3B, 35.0, 49.0, 1.67999994754791, 38.0, , , 20.0, 5.0, 3.14499998092651, 1.0, , 1.0, , 0.0, 22.0, 3.0
-InChI%3D1S%2FC5H3Cl3O3%2Fc6-2-1%283%287%298%294%289%2911-5%282%2910%2Fh3-4%2C9H, 5.0, 14.0, 1.35000002384186, 11.0, 1.4213000535965, , 0.0, 1.0, 0.917999982833862, 0.0, 41.2304000854492, 1.0, 2.0200936794281, 0.0, 0.0, 2.0
-InChI%3D1S%2FC7H5N3O3S%2Fc8-7-9-4%283-14-7%295-1-2-6%2813-5%2910%2811%2912%2Fh1-3H%2C%28H2%2C8%2C9%29, 8.0, 21.0, 1.46000003814697, 15.0, 0.392899990081787, , 5.0, 2.0, 1.60199999809265, 0.0, 29.1082000732422, 2.0, 0.154370412230492, 0.0, 5.0, 2.0
-InChI%3D1S%2FC8H11NO%2Fc1-6-5-7%2810-2%293-4-8%286%299%2Fh3-5H%2C9H2%2C1-2H3, 8.0, 21.0, 2.11999988555908, 10.0, -0.159700006246567, , 6.0, 1.0, 1.43400001525879, 0.0, 17.0400009155273, 1.0, 0.0255040898919106, 0.0, 6.0, 2.0
-InChI%3D1S%2FC8H14ClN5%2Fc1-4-10-7-12-6%289%2913-8%2814-7%2911-5%282%293%2Fh5H%2C4H2%2C1-3H3%2C%28H2%2C10%2C11%2C12%2C13%2C14%29, 7.0, 30.0, 1.67999994754791, 14.0, 0.658900022506714, , 0.0, 2.0, 2.18400001525879, 0.0, 54.185001373291, 3.0, 0.434149205684662, 2.0, 0.0, 4.0
-InChI%3D1S%2FC6H12N2O3%2Fc1-8%282%297-5%289%293-4-6%2810%2911%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C9%29%28H%2C10%2C11%29, 4.0, 23.0, 1.57000005245209, 10.0, -0.034000001847744, , 0.0, 4.0, -0.247999995946884, 0.0, 39.0854988098145, 2.0, 0.00115599995478988, 4.0, 0.0, 11.0
-InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3, 2.0, 21.0, 1.46000003814697, 12.0, -0.419200003147125, , 0.0, 3.0, 0.017000000923872, 0.0, 23.6714992523193, 2.0, 0.175728633999825, 2.0, 5.0, 3.0
-InChI%3D1S%2FC4H8N2O2%2Fc1-4%287%293-6%282%295-8%2Fh3H2%2C1-2H3, 3.0, 16.0, 1.46000003814697, 7.0, -0.467200011014938, , 0.0, 3.0, -0.628000020980835, 0.0, 29.6861991882324, 0.0, 0.218275845050812, 3.0, 0.0, 8.0
-InChI%3D1S%2FC7H16N4O2.HNO2%2Fc1-4-8-7%2812%2911%289-13%296-5-10%282%293%3B2-1-3%2Fh4-6H2%2C1-3H3%2C%28H%2C8%2C12%29%3B%28H%2C2%2C3%29, 6.0, 33.0, 1.24000000953674, 14.0, -1.50559997558594, , 0.0, 6.0, 0.186000004410744, 0.0, 58.3931999206543, 2.0, 2.26683139801025, 2.0, 0.0, 13.0
-InChI%3D1S%2FC14H9NO2%2Fc15-8-5-6-11-12%287-8%2914%2817%2910-4-2-1-3-9%2810%2913%2811%2916%2Fh1-7H%2C15H2, 17.0, 26.0, 2.67000007629395, 19.0, -1.2775000333786, , 12.0, 0.0, 2.62199997901917, 0.0, 14.9140996932983, 1.0, 1.63200628757477, 0.0, 12.0, 0.0
-InChI%3D1S%2FC4H8N2OS%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2, 3.0, 16.0, 1.46000003814697, 8.0, 0.52319997549057, , 0.0, 1.0, 0.714999973773956, 0.0, 35.2994003295898, 0.0, 0.273738235235214, 0.0, 0.0, 2.0
-InChI%3D1S%2FC11H7N3O3%2Fc15-14%2816%2911-5-4-9%2817-11%298-7-12-10-3-1-2-6-13%288%2910%2Fh1-7H, 17.0, 24.0, 2.00999999046326, 19.0, -0.1875, , 14.0, 2.0, 2.58500003814697, 0.0, 7.40290021896362, 0.0, 0.03515625, 0.0, 15.0, 3.0
-InChI%3D1S%2FC6H12N2O%2Fc1-6-4-2-3-5-8%286%297-9%2Fh6H%2C2-5H2%2C1H3%2Ft6-%2Fm0%2Fs1, 3.0, 21.0, 1.78999996185303, 9.0, -0.965300023555756, , 0.0, 1.0, 1.27799999713898, 0.0, 31.4006996154785, 0.0, 0.931804060935974, 0.0, 0.0, 2.0
-InChI%3D1S%2FC12H10Cl2N2%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%2Fh1-6H%2C15-16H2, 14.0, 26.0, 2.33999991416931, 17.0, -0.0111999996006489, , 12.0, 1.0, 2.89199995994568, 0.0, 19.6753997802734, 2.0, 0.000125439997646026, 0.0, 12.0, 0.0
-InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H, 6.0, 12.0, 2.11999988555908, 6.0, 0.0, , 6.0, 0.0, 4.06199979782104, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0
-InChI%3D1S%2FC11H11N5%2Fc1-6-5-13-7-3-4-8-10%289%287%2914-6%2915-11%2812%2916%288%292%2Fh3-5H%2C1-2H3%2C%28H2%2C12%2C15%29, 14.0, 27.0, 2.11999988555908, 18.0, 0.0723000019788742, , 10.0, 0.0, 2.33800005912781, 0.0, 22.6289005279541, 2.0, 0.00522729009389877, 0.0, 11.0, 0.0
-InChI%3D1S%2FC10H14N5O4%2Fc1-5-3-15%2810%2818%2912-9%285%2917%298-2-6%2813-14-11%297%284-16%2919-8%2Fh3%2C6-8%2C11%2C16H%2C2%2C4H2%2C1H3%2C%28H%2C12%2C17%2C18%29%2Ft6-%2C7%3F%2C8%2B%2Fm0%2Fs1, 4.0, 36.0, 1.57000005245209, 20.0, -4.2487998008728, , 0.0, 3.0, -0.907000005245209, 0.0, 55.6195983886719, 4.0, 18.0523014068604, 0.0, 0.0, 3.0
-InChI%3D1S%2FC12H7Cl2NO3%2Fc13-8-1-6-12%2811%2814%297-8%2918-10-4-2-9%283-5-10%2915%2816%2917%2Fh1-7H, 16.0, 25.0, 2.11999988555908, 19.0, 1.2878999710083, , 12.0, 3.0, 4.76300001144409, 0.0, 15.7361001968384, 0.0, 1.65868639945984, 0.0, 12.0, 2.0
-InChI%3D1S%2FC6H4N4O3S%2Fc7-6-9-8-5%2814-6%293-1-2-4%2813-3%2910%2811%2912%2Fh1-2H%2C%28H2%2C7%2C9%29, 8.0, 20.0, 1.24000000953674, 15.0, 0.143500000238419, , 5.0, 2.0, 1.38399994373322, 0.0, 27.4755992889404, 3.0, 0.0205922499299049, 0.0, 5.0, 2.0
-InChI%3D1S%2FC5H11N3O2%2Fc1-4%282%293-8%287-10%295%286%299%2Fh4H%2C3H2%2C1-2H3%2C%28H2%2C6%2C9%29, 6.0, 21.0, 1.46000003814697, 9.0, 0.907500028610229, , 0.0, 4.0, 0.929000020027161, 0.0, 36.1146011352539, 2.0, 0.823556244373322, 3.0, 0.0, 10.0
-InChI%3D1S%2FC16H12ClNO2%2Fc1-2-16%2820-15%2818%2919%2C12-6-4-3-5-7-12%2913-8-10-14%2817%2911-9-13%2Fh1%2C3-11H%2C%28H2%2C18%2C19%29, 6.0, 32.0, 2.77999997138977, 21.0, 1.69350004196167, , 12.0, 4.0, 5.83400011062622, 1.0, 25.5104999542236, 2.0, 2.86794233322144, 3.0, 12.0, 7.0
-InChI%3D1S%2FC14H16N2.2ClH%2Fc1-9-7-11%283-5-13%289%2915%2912-4-6-14%2816%2910%282%298-12%3B%3B%2Fh3-8H%2C15-16H2%2C1-2H3%3B2%2A1H, 14.0, 36.0, 2.55999994277954, 17.0, -0.215800002217293, , 12.0, 1.0, 4.36999988555908, 0.0, 19.4484004974365, 2.0, 0.0465696416795254, 0.0, 12.0, 0.0
-InChI%3D1S%2FC5H10N2O2%2Fc1-2-3-7%286-9%294-5-8%2Fh2%2C8H%2C1%2C3-5H2, 3.0, 19.0, 1.57000005245209, 8.0, 0.168200001120567, , 0.0, 5.0, -0.368999987840652, 0.0, 35.505500793457, 1.0, 0.0282912403345108, 3.0, 0.0, 9.0
-InChI%3D1S%2FC8H15N3O7%2Fc1-11%2810-17%298%2816%299-4-6%2814%295%2813%293%282-12%2918-7%284%2915%2Fh3-7%2C12-15H%2C2H2%2C1H3%2C%28H%2C9%2C16%29%2Ft3%3F%2C4%3F%2C5-%2C6-%2C7%2B%2Fm1%2Fs1, 6.0, 33.0, 1.24000000953674, 18.0, -1.73989999294281, , 0.0, 4.0, -2.33699989318848, 0.0, 56.0966987609863, 5.0, 3.02725195884705, 0.0, 0.0, 7.0
-InChI%3D1S%2FC12H26N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-14%282%2913-15%2Fh3-12H2%2C1-2H3, 3.0, 41.0, 2.45000004768372, 14.0, -2.54060006141663, , 0.0, 11.0, 5.05800008773804, 2.0, 51.1691017150879, 0.0, 6.45464849472046, 11.0, 0.0, 15.0
-InChI%3D1S%2FC20H16O8%2Fc1-23-10-7-11-13%288-4-5-26-20%288%2927-11%2918-15%2810%2916%2822%2914-9%2821%296-12%2824-2%2917%2825-3%2919%2814%2928-18%2Fh4-8%2C20-21H%2C1-3H3, 20.0, 44.0, 2.77999997138977, 32.0, -1.56889998912811, , 12.0, 3.0, 0.833999991416931, 0.0, 50.2559013366699, 1.0, 2.46144723892212, 0.0, 12.0, 2.0
-InChI%3D1S%2FC12H11N3.C2H4O2%2Fc1-7-12-8-4-2-3-5-9%288%2915-10%2812%296-11%2813%2914-7%3B1-2%283%294%2Fh2-6%2C15H%2C1H3%2C%28H2%2C13%2C14%29%3B1H3%2C%28H%2C3%2C4%29, 7.0, 35.0, 2.45000004768372, 20.0, -0.670799970626831, , 6.0, 0.0, , , 35.1880989074707, 3.0, 0.449972629547119, 2.0, 10.0, 4.0
-InChI%3D1S%2FC7H7NO%2Fc1-6-4-2-3-5-7%286%298-9%2Fh2-5H%2C1H3, 8.0, 16.0, 2.00999999046326, 9.0, 0.61870002746582, , 6.0, 1.0, 2.65400004386902, 0.0, 6.94500017166138, 0.0, 0.382789701223373, 0.0, 6.0, 2.0
-InChI%3D1S%2FC4H9NO2%2Fc1-4%282%293-7-5-6%2Fh4H%2C3H2%2C1-2H3, 3.0, 16.0, 1.57000005245209, 6.0, -1.46490001678467, , 0.0, 3.0, 1.92999994754791, 0.0, 25.7915000915527, 0.0, 2.14593195915222, 3.0, 0.0, 7.0
-InChI%3D1S%2FC19H16ClNO4%2Fc1-11-15%2810-18%2822%2923%2916-9-14%2825-2%297-8-17%2816%2921%2811%2919%2824%2912-3-5-13%2820%296-4-12%2Fh3-9H%2C10H2%2C1-2H3%2C%28H%2C22%2C23%29, 18.0, 41.0, 2.89000010490417, 27.0, 0.292199999094009, , 15.0, 5.0, 3.75799989700317, 0.0, 37.8739013671875, 1.0, 0.0853808373212814, 2.0, 16.0, 4.0
-InChI%3D1S%2FC9H13ClN6%2Fc1-4-12-7-13-6%2810%2914-8%2815-7%2916-9%282%2C3%295-11%2Fh4H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 4.0, 33.0, 1.67999994754791, 16.0, 1.18340003490448, , 0.0, 3.0, 0.544000029563904, 0.0, 60.3378982543945, 4.0, 1.40043556690216, 3.0, 0.0, 6.0
-InChI%3D1S%2FC3H4O2%2Fc4-3-1-2-5-3%2Fh1-2H2, 3.0, 9.0, 1.57000005245209, 5.0, -0.0447000004351139, , 0.0, 0.0, -0.138999998569489, 0.0, 15.5530996322632, 0.0, 0.00199808995239437, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H13N3O%2Fc14-12-13-7-2-1-5-10%2813%299-4-3-6-11-8-9%2Fh3-4%2C6%2C8%2C10H%2C1-2%2C5%2C7H2, 6.0, 27.0, 2.11999988555908, 15.0, -1.01660001277924, , 6.0, 2.0, 1.73399996757507, 0.0, 25.5020008087158, 0.0, 1.03347551822662, 0.0, 6.0, 2.0
-InChI%3D1S%2FC10H8N4%2Fc11-8-5-4-7-10%2813-8%2914-6-2-1-3-9%2814%2912-7%2Fh1-6H%2C%28H2%2C11%2C13%29, 3.0, 28.0, 2.11999988555908, 16.0, -1.02540004253387, , 0.0, 0.0, 1.56900000572205, 0.0, 34.0446014404297, 3.0, 1.05144512653351, 0.0, 5.0, 0.0
-InChI%3D1S%2FC2H5NO2%2Fc3-1-2%284%295%2Fh1%2C3H2%2C%28H%2C4%2C5%29, 3.0, 10.0, 1.35000002384186, 4.0, -1.19149994850159, , 0.0, 1.0, -3.34999990463257, 0.0, 16.0034008026123, 2.0, 1.41967225074768, 2.0, 0.0, 5.0
-InChI%3D1S%2FC8H11N3%2Fc1-11%282%2910-9-8-6-4-3-5-7-8%2Fh3-7H%2C1-2H3%2Fb10-9%2B, 9.0, 22.0, 2.00999999046326, 11.0, 0.114100001752377, , 6.0, 2.0, 2.15000009536743, 0.0, 18.6075992584229, 0.0, 0.0130188101902604, 0.0, 6.0, 5.0
-InChI%3D1S%2FC9H17NO2%2Fc10-7-9%286-8%2811%2912%294-2-1-3-5-9%2Fh1-7%2C10H2%2C%28H%2C11%2C12%29, 3.0, 29.0, 2.11999988555908, 12.0, -2.05229997634888, , 0.0, 3.0, 1.39100003242493, 0.0, 41.7888984680176, 2.0, 4.21193552017212, 2.0, 0.0, 4.0
-InChI%3D1S%2FC5H12N2O3%2Fc1-5%289%294-7%286-10%292-3-8%2Fh5%2C8-9H%2C2-4H2%2C1H3, 3.0, 22.0, 1.46000003814697, 9.0, -0.998700022697449, , 0.0, 5.0, -1.23300004005432, 0.0, 37.2195014953613, 2.0, 0.997401714324951, 3.0, 0.0, 10.0
-InChI%3D1S%2FC18H25NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C11%2C14-15%2C20%2C23H%2C5-10H2%2C1-2H3%2Ft11-%2C14%3F%2C15-%2C18-%2Fm1%2Fs1, 5.0, 50.0, 2.67000007629395, 27.0, -0.278400003910065, , 0.0, 1.0, 0.5, 0.0, 88.6892013549805, 2.0, 0.0775065571069717, 2.0, 0.0, 2.0
-InChI%3D1S%2FC13H18Cl2N2O2%2Fc14-5-7-17%288-6-15%2911-3-1-10%282-4-11%299-12%2816%2913%2818%2919%2Fh1-4%2C12H%2C5-9%2C16H2%2C%28H%2C18%2C19%29%2Ft12-%2Fm0%2Fs1, 7.0, 37.0, 2.23000001907349, 19.0, 0.463800013065338, , 6.0, 8.0, 0.514999985694885, 0.0, 52.6076011657715, 2.0, 0.215110436081886, 3.0, 6.0, 7.0
-InChI%3D1S%2FC5H10N2O3%2Fc1-5%289%294-7%286-10%292-3-8%2Fh8H%2C2-4H2%2C1H3, 3.0, 20.0, 1.46000003814697, 9.0, -1.00660002231598, , 0.0, 5.0, -1.33700001239777, 0.0, 35.9785003662109, 1.0, 1.01324355602264, 3.0, 0.0, 10.0
-InChI%3D1S%2FC9H8N4O2S%2Fc1-13%2812-15%299%2814%2911-8-10-6-4-2-3-5-7%286%2916-8%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%2C14%29, 15.0, 24.0, 1.67999994754791, 17.0, 1.01590001583099, , 9.0, 3.0, 1.67499995231628, 0.0, 30.6247997283936, 2.0, 1.03205275535583, 0.0, 10.0, 7.0
-InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3, 0.0, 10.0, 1.67999994754791, 4.0, -0.141599997878075, , 0.0, 0.0, 0.270000010728836, 0.0, 15.6279001235962, 0.0, 0.0200505591928959, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H4Cl4O2%2Fc13-5-1-9-10%282-6%285%2914%2918-12-4-8%2816%297%2815%293-11%2812%2917-9%2Fh1-4H, 14.0, 22.0, 2.11999988555908, 20.0, 2.66899991035461, , 12.0, 0.0, 4.15999984741211, 0.0, 25.7005996704102, 0.0, 7.12356090545654, 0.0, 12.0, 0.0
-InChI%3D1S%2FC15H18N4O%2Fc1-3-18%284-2%2915-7-5-13%286-8-15%2916-17-14-9-11-19%2820%2912-10-14%2Fh5-12H%2C3-4H2%2C1-2H3%2Fb17-16%2B, 16.0, 38.0, 2.55999994277954, 21.0, 0.695299983024597, , 12.0, 5.0, 3.86500000953674, 0.0, 24.3218994140625, 0.0, 0.483442097902298, 2.0, 12.0, 5.0
-InChI%3D1S%2FC6H6N2O3%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2Fh1-3%2C9H%2C7H2, 11.0, 17.0, 1.57000005245209, 11.0, -1.25680005550385, , 6.0, 1.0, 1.11899995803833, 0.0, 9.67249965667725, 2.0, 1.57954621315002, 0.0, 6.0, 3.0
-InChI%3D1S%2FC26H29NO.C6H8O7%2Fc1-4-25%2821-11-7-5-8-12-21%2926%2822-13-9-6-10-14-22%2923-15-17-24%2818-16-23%2928-20-19-27%282%293%3B7-3%288%291-6%2813%2C5%2811%2912%292-4%289%2910%2Fh5-18H%2C4%2C19-20H2%2C1-3H3%3B13H%2C1-2H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29%28H%2C11%2C12%29, 21.0, 78.0, 3.99000000953674, 42.0, -0.924600005149841, , 18.0, 13.0, 8.50899982452393, 2.0, 79.1876983642578, 4.0, 0.854885160923004, 5.0, 18.0, 13.0
-InChI%3D1S%2FC37H36N2O9S3.2Na%2Fc1-3-38%2825-27-7-5-9-35%2823-27%2950%2843%2C44%2945%2932-17-11-29%2812-18-32%2937%2831-15-21-34%2822-16-31%2949%2840%2C41%2942%2930-13-19-33%2820-14-30%2939%284-2%2926-28-8-6-10-36%2824-28%2951%2846%2C47%2948%3B%3B%2Fh5-24H%2C3-4%2C25-26H2%2C1-2H3%2C%28H2-%2C40%2C41%2C42%2C43%2C44%2C45%2C46%2C47%2C48%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2, 25.0, 87.0, 3.76999998092651, 55.0, , , 24.0, 12.0, 5.63899993896484, 2.0, , 0.0, , 2.0, 24.0, 4.0
-InChI%3D1S%2FC5H12N2S%2Fc1-3-6-5%288%297-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C6%2C7%2C8%29, 3.0, 20.0, 1.67999994754791, 7.0, 1.03400003910065, , 0.0, 3.0, 1.17799997329712, 0.0, 37.1855010986328, 1.0, 1.06915605068207, 2.0, 0.0, 8.0
-InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2, 0.0, 5.0, 1.35000002384186, 2.0, 1.07290005683899, , 0.0, 0.0, 1.51900005340576, 0.0, 16.4382991790771, 0.0, 1.15111446380615, 0.0, 0.0, 3.0
-InChI%3D1S%2FC11H24N2O%2Fc1-3-4-5-6-7-8-9-10-11-13%282%2912-14%2Fh3-11H2%2C1-2H3, 3.0, 38.0, 2.33999991416931, 13.0, -2.2525999546051, , 0.0, 10.0, 4.48899984359741, 0.0, 48.2574996948242, 0.0, 5.07420682907104, 10.0, 0.0, 14.0
-InChI%3D1S%2FC13H14O5%2Fc1-5-7%283%2918-4-8-9%285%296%282%2911%2814%2910%2812%288%2915%2913%2816%2917%2Fh4-5%2C7%2C15H%2C1-3H3%2C%28H%2C16%2C17%29%2Ft5-%2C7%3F%2Fm0%2Fs1, 13.0, 32.0, 2.33999991416931, 19.0, -0.344500005245209, , 0.0, 1.0, 1.62000000476837, 0.0, 64.4410018920898, 2.0, 0.118680253624916, 0.0, 0.0, 2.0
-InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2, 0.0, 8.0, 1.46000003814697, 3.0, 1.51180005073547, , 0.0, 1.0, 1.74000000953674, 0.0, 20.6555995941162, 0.0, 2.28553915023804, 2.0, 0.0, 4.0
-InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2, 0.0, 11.0, 1.46000003814697, 5.0, 2.49469995498657, , 0.0, 2.0, 3.0550000667572, 0.0, 35.636100769043, 0.0, 6.2235279083252, 3.0, 0.0, 6.0
-InChI%3D1S%2FC6H6N4O4%2Fc7-6%2811%299-8-3-4-1-2-5%2814-4%2910%2812%2913%2Fh1-3H%2C%28H3%2C7%2C9%2C11%29%2Fb8-3-, 14.0, 20.0, 1.24000000953674, 14.0, -0.309399992227554, , 5.0, 4.0, 2.30399990081787, 0.0, 23.0333995819092, 3.0, 0.0957283601164818, 0.0, 5.0, 6.0
-InChI%3D1S%2FC11H16N4O4%2Fc1-7%2815-5-10%2818%2913-11%2819%296-15%292-14-3-8%2816%2912-9%2817%294-14%2Fh7H%2C2-6H2%2C1H3%2C%28H%2C12%2C16%2C17%29%28H%2C13%2C18%2C19%29, 5.0, 35.0, 1.78999996185303, 20.0, -2.47090005874634, , 0.0, 3.0, -1.29999995231628, 0.0, 64.4886016845703, 2.0, 6.1053466796875, 3.0, 0.0, 3.0
-InChI%3D1S%2FC7H8N2O3%2Fc1-12-7-3-2-5%289%2810%2911%294-6%287%298%2Fh2-4H%2C8H2%2C1H3, 11.0, 20.0, 1.67999994754791, 12.0, -0.848299980163574, , 6.0, 2.0, 1.20899999141693, 0.0, 14.4237003326416, 1.0, 0.719612896442413, 0.0, 6.0, 2.0
-InChI%3D1S%2FC14H15N3O2%2Fc1-14%282%299-7-8%283-4-11%289%2915-13%2814%2919%2910-5-6-12%2818%2917-16-10%2Fh3-4%2C7H%2C5-6H2%2C1-2H3%2C%28H%2C15%2C19%29%28H%2C17%2C18%29, 14.0, 34.0, 2.45000004768372, 21.0, 0.714999973773956, , 6.0, 1.0, 2.60400009155273, 0.0, 46.2789993286133, 2.0, 0.511224985122681, 0.0, 6.0, 0.0
-InChI%3D1S%2FCHBr3%2Fc2-1%283%294%2Fh1H, 0.0, 5.0, 1.24000000953674, 3.0, 2.228600025177, , 0.0, 0.0, 3.08800005912781, 0.0, 29.7896995544434, 0.0, 4.96665811538696, 0.0, 0.0, 4.0
-InChI%3D1S%2FC3H9O3P%2Fc1-5-7%283%2C4%296-2%2Fh1-3H3, 4.0, 16.0, 1.35000002384186, 6.0, -0.120600000023842, , 0.0, 2.0, -0.214000001549721, 0.0, 26.142599105835, 0.0, 0.0145443603396416, 0.0, 0.0, 7.0
-InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-4-10-14%2812%2911%286-3-9%295-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29, 5.0, 29.0, 1.46000003814697, 14.0, 0.0841000005602837, , 0.0, 5.0, 0.834999978542328, 0.0, 55.7243003845215, 1.0, 0.0070728100836277, 2.0, 0.0, 4.0
-InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2, 5.0, 26.0, 1.24000000953674, 13.0, 2.20379996299744, , 0.0, 9.0, 1.60500001907349, 0.0, 56.1287002563477, 0.0, 4.85673427581787, 2.0, 0.0, 14.0
-InChI%3D1S%2FHI.K%2Fh1H%3B%2Fq%3B%2B1%2Fp-1, 0.0, 2.0, 1.24000000953674, 0.0, , , 0.0, 0.0, 1.04999995231628, 0.0, , 0.0, , 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3, 3.0, 15.0, 1.67999994754791, 5.0, -0.125900000333786, , 0.0, 1.0, 0.680999994277954, 0.0, 24.7532005310059, 1.0, 0.0158508103340864, 4.0, 0.0, 6.0
-InChI%3D1S%2FC13H9NO2%2Fc15-14%2816%2911-5-6-13-10%288-11%297-9-3-1-2-4-12%289%2913%2Fh1-6%2C8H%2C7H2, 15.0, 25.0, 2.55999994277954, 18.0, 0.409599989652634, , 12.0, 1.0, 5.86100006103516, 1.0, 7.48680019378662, 0.0, 0.16777215898037, 0.0, 12.0, 3.0
-InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3, 8.0, 21.0, 2.11999988555908, 10.0, -0.159700006246567, , 6.0, 1.0, 1.64499998092651, 0.0, 17.0400009155273, 1.0, 0.0255040898919106, 0.0, 6.0, 2.0
-InChI%3D1S%2FC10H13NO2%2Fc1-3-13-10-6-4-9%285-7-10%2911-8%282%2912%2Fh4-7H%2C3H2%2C1-2H3%2C%28H%2C11%2C12%29, 10.0, 26.0, 2.23000001907349, 13.0, 0.126900002360344, , 6.0, 3.0, 2.60800004005432, 0.0, 25.5104007720947, 1.0, 0.0161036103963852, 2.0, 6.0, 4.0
-InChI%3D1S%2FC35H45Cl2NO6%2Fc1-33-14-12-26%2839%2920-24%2833%298-11-27-28-13-15-35%2843%2C34%2828%2C2%2921-29%2840%2932%2827%2933%2930%2841%2922-44-31%2842%295-3-4-23-6-9-25%2810-7-23%2938%2818-16-36%2919-17-37%2Fh6-7%2C9-10%2C12%2C14%2C20%2C27-29%2C32%2C40%2C43H%2C3-5%2C8%2C11%2C13%2C15-19%2C21-22H2%2C1-2H3%2Ft27%3F%2C28-%2C29-%2C32%2B%2C33-%2C34%3F%2C35-%2Fm0%2Fs1, 7.0, 89.0, 4.32000017166138, 48.0, 0.868900001049042, , 6.0, 13.0, 5.7039999961853, 2.0, 146.226898193359, 2.0, 0.754987180233002, 4.0, 6.0, 9.0
-InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3, 0.0, 18.0, 1.89999997615814, 5.0, 0.981800019741058, , 0.0, 1.0, 1.32000005245209, 0.0, 26.8162994384766, 0.0, 0.963931262493134, 0.0, 0.0, 6.0
-InChI%3D1S%2FC5H11N3O3%2Fc1-2-6-5%2810%298%287-11%293-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29, 6.0, 22.0, 1.35000002384186, 10.0, 0.0143999997526407, , 0.0, 5.0, -0.633000016212463, 0.0, 38.9272994995117, 2.0, 0.000207360004424118, 2.0, 0.0, 11.0
-InChI%3D1S%2FC16H16N4O4S%2Fc21-9-7-19%288-10-22%2916-11-3-1-2-4-12%2811%2917-15%2818-16%2913-5-6-14%2825-13%2920%2823%2924%2Fh1-6%2C21-22H%2C7-10H2, 19.0, 41.0, 2.23000001907349, 27.0, -0.31700000166893, , 15.0, 7.0, 2.37199997901917, 0.0, 37.5553016662598, 2.0, 0.100488997995853, 2.0, 16.0, 7.0
-InChI%3D1S%2FC17H20N2O%2Fc1-18%282%2915-9-5-13%286-10-15%2917%2820%2914-7-11-16%2812-8-14%2919%283%294%2Fh5-12H%2C1-4H3, 16.0, 40.0, 3.0, 21.0, 0.171800002455711, , 12.0, 4.0, 3.60899996757507, 0.0, 33.9287986755371, 0.0, 0.0295152403414249, 0.0, 12.0, 3.0
-InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2, 0.0, 13.0, 1.78999996185303, 5.0, -0.706900000572205, , 0.0, 0.0, 0.526000022888184, 0.0, 16.86669921875, 0.0, 0.499707609415054, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H%2Ft1-%2C2-%2C3-%2C4%3F%2C5%3F%2C6%2B%2Fm1%2Fs1, 0.0, 18.0, 1.46000003814697, 12.0, 4.16340017318726, , 0.0, 0.0, 3.83400011062622, 0.0, 54.0810012817383, 0.0, 17.3339004516602, 0.0, 0.0, 0.0
-InChI%3D1S%2FC20H24O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C5%2C7%2C12%2C16-18%2C21-22H%2C4%2C6%2C8-11H2%2C2H3%2Ft16-%2C17%3F%2C18%3F%2C19%2B%2C20%2B%2Fm1%2Fs1, 7.0, 46.0, 3.44000005722046, 25.0, 0.604099988937378, , 6.0, 0.0, 4.66699981689453, 0.0, 60.8055992126465, 2.0, 0.364936798810959, 2.0, 6.0, 2.0
-InChI%3D1S%2FC13H21NO3%2Fc1-13%282%2C3%2914-7-12%2817%299-4-5-11%2816%2910%286-9%298-15%2Fh4-6%2C12%2C14-17H%2C7-8H2%2C1-3H3, 7.0, 38.0, 2.45000004768372, 17.0, -0.794900000095367, , 6.0, 5.0, 1.17299997806549, 0.0, 43.3166007995605, 4.0, 0.631866037845612, 2.0, 6.0, 8.0
-InChI%3D1S%2FC7H10N6O3%2Fc1-11-4-8-6%2812%282%299-15%295%2811%297%2814%2913%283%2910-16%2Fh4H%2C1-3H3, 5.0, 26.0, 1.24000000953674, 16.0, -0.0309999994933605, , 0.0, 5.0, -0.688000023365021, 0.0, 42.2438011169434, 1.0, 0.000960999983362854, 0.0, 5.0, 6.0
-InChI%3D1S%2FC3H5ClO%2Fc4-1-3-2-5-3%2Fh3H%2C1-2H2, 0.0, 10.0, 1.57000005245209, 5.0, 0.563000023365021, , 0.0, 1.0, 0.611999988555908, 0.0, 20.056999206543, 0.0, 0.316969007253647, 0.0, 0.0, 2.0
-InChI%3D1S%2FC4H10N2S%2Fc1-5-4%287%296%282%293%2Fh1-3H3%2C%28H%2C5%2C7%29, 3.0, 17.0, 1.57000005245209, 6.0, 0.523400008678436, , 0.0, 1.0, 1.06099998950958, 0.0, 34.2011985778809, 0.0, 0.273947566747665, 0.0, 0.0, 7.0
-InChI%3D1S%2FC20H18ClNO6%2Fc1-10-7-12-14%2821%299-13%2817%2823%2916%2812%2920%2827%2928-10%2918%2824%2922-15%2819%2825%2926%298-11-5-3-2-4-6-11%2Fh2-6%2C9-10%2C15%2C23H%2C7-8H2%2C1H3%2C%28H%2C22%2C24%29%28H%2C25%2C26%29%2Ft10-%2C15%2B%2Fm1%2Fs1, 13.0, 46.0, 2.77999997138977, 30.0, -0.159899994730949, , 12.0, 5.0, 4.59299993515015, 1.0, 52.5177993774414, 3.0, 0.0255680102854967, 3.0, 12.0, 8.0
-InChI%3D1S%2FC3H4N2O3%2Fc6-3-5%284-7%291-2-8-3%2Fh1-2H2, 6.0, 12.0, 1.24000000953674, 8.0, 0.336699992418289, , 0.0, 1.0, -0.323000013828278, 0.0, 24.3743000030518, 0.0, 0.113366886973381, 0.0, 0.0, 2.0
-InChI%3D1S%2FC11H17N3O4%2Fc1-12-10-3-2-9%288-11%2810%2914%2817%2918%2913%284-6-15%295-7-16%2Fh2-3%2C8%2C12%2C15-16H%2C4-7H2%2C1H3, 11.0, 35.0, 1.89999997615814, 18.0, -1.2257000207901, , 6.0, 7.0, 1.08200001716614, 0.0, 38.7584991455078, 3.0, 1.50234043598175, 2.0, 6.0, 7.0
-InChI%3D1S%2FC4H9N5O3%2Fc1-2-3-8%287-10%294%285%296-9%2811%2912%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C6%29, 9.0, 21.0, 1.01999998092651, 11.0, -0.343699991703033, , 0.0, 6.0, 1.25399994850159, 0.0, 33.7650985717773, 2.0, 0.118129692971706, 3.0, 0.0, 12.0
-InChI%3D1S%2FC21H33NO7%2Fc1-7-13%282%2918%2823%2929-16-9-11-22-10-8-15%2817%2816%2922%2912-28-19%2824%2921%2826%2C14%283%2927-6%2920%284%2C5%2925%2Fh7-8%2C14%2C16-17%2C25-26H%2C9-12H2%2C1-6H3%2Ft14-%2C16-%2C17%3F%2C21%2B%2Fm0%2Fs1, 5.0, 62.0, 2.89000010490417, 30.0, 0.440600007772446, , 0.0, 10.0, 0.513999998569489, 0.0, 106.569602966309, 2.0, 0.19412836432457, 5.0, 0.0, 14.0
-InChI%3D1S%2FC9H18N6O6%2Fc16-1-13%282-17%297-10-8%2814%283-18%294-19%2912-9%2811-7%2915%285-20%296-21%2Fh16-21H%2C1-6H2, 9.0, 39.0, 1.12999999523163, 21.0, -2.68919992446899, , 6.0, 9.0, -3.1470000743866, 2.0, 49.4850006103516, 6.0, 7.2317967414856, 0.0, 6.0, 5.0
-InChI%3D1S%2FC37H30N4O10S3.2Na%2Fc1-22-4-13-30%2814-5-22%2954%2849%2C50%2951-29-11-9-28%2810-12-29%2938-39-32-15-6-25%2818-23%2832%292%2926-7-16-33%2824%283%2919-26%2940-41-37-34%2842%2917-8-27-20-31%2852%2843%2C44%2945%2921-35%2836%2827%2937%2953%2846%2C47%2948%3B%3B%2Fh4-21%2C42H%2C1-3H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb39-38%2B%2C41-40%2B%3B%3B, 51.0, 84.0, 3.44000005722046, 59.0, , , 34.0, 10.0, 8.72999954223633, 2.0, , 1.0, , 0.0, 35.0, 4.0
-InChI%3D1S%2FC16H19ClN4O2S%2Fc1-10-4-3-5-12%2811%2810%292%2919-14-8-13%2817%2920-16%2821-14%2924-9-15%2823%2918-6-7-22%2Fh3-5%2C8%2C22H%2C6-7%2C9H2%2C1-2H3%2C%28H%2C18%2C23%29%28H%2C19%2C20%2C21%29, 9.0, 47.0, 2.33999991416931, 25.0, 1.45200002193451, , 6.0, 6.0, 2.47300004959106, 0.0, 72.8536987304688, 4.0, 2.10830402374268, 2.0, 6.0, 8.0
-InChI%3D1S%2FC6H14N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-6H2%2C1-2H3, 3.0, 23.0, 1.78999996185303, 8.0, -0.564000010490417, , 0.0, 5.0, 1.28699994087219, 0.0, 35.7020988464355, 0.0, 0.31809601187706, 3.0, 0.0, 9.0
-InChI%3D1S%2FC3H6N6%2Fc4-1-7-2%285%299-3%286%298-1%2Fh%28H6%2C4%2C5%2C6%2C7%2C8%2C9%29, 9.0, 15.0, 1.12999999523163, 9.0, 0.125400006771088, , 0.0, 0.0, 1.6710000038147, 1.0, 26.099100112915, 6.0, 0.0157251600176096, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3, 1.0, 7.0, 1.57000005245209, 2.0, -0.182500004768372, , 0.0, 0.0, 0.333999991416931, 0.0, 11.7182998657227, 0.0, 0.033306248486042, 2.0, 0.0, 3.0
-InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2, 3.0, 16.0, 1.46000003814697, 8.0, -0.221499994397163, , 0.0, 1.0, -0.446000009775162, 0.0, 29.125, 0.0, 0.0490622483193874, 0.0, 0.0, 2.0
-InChI%3D1S%2FCH2ClF%2Fc2-1-3%2Fh1H2, 0.0, 5.0, 1.35000002384186, 2.0, 0.774999976158142, , 0.0, 0.0, 1.38199996948242, 0.0, 11.5198001861572, 0.0, 0.600624978542328, 0.0, 0.0, 3.0
-InChI%3D1S%2FC11H14N2O4%2Fc1-8%282%2916-9-6-4-5-7-10%289%2917-11%2814%2913%283%2912-15%2Fh4-8H%2C1-3H3, 13.0, 31.0, 2.00999999046326, 17.0, 0.313899993896484, , 6.0, 6.0, 2.65799999237061, 0.0, 37.4609985351562, 0.0, 0.0985332131385803, 0.0, 6.0, 7.0
-InChI%3D1S%2FC14H18ClNO4S%2Fc1-9-5-10%282%298-16%287-9%2921%2819%2C20%2911-3-4-13%2815%2912%286-11%2914%2817%2918%2Fh3-4%2C6%2C9-10H%2C5%2C7-8H2%2C1-2H3%2C%28H%2C17%2C18%29%2Ft9-%2C10%2B, 13.0, 39.0, 2.23000001907349, 22.0, -0.0795999988913536, , 6.0, 3.0, 2.29999995231628, 0.0, 55.3368988037109, 1.0, 0.00633616000413895, 0.0, 6.0, 2.0
-InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3, 9.0, 17.0, 1.89999997615814, 10.0, 0.595399975776672, , 6.0, 1.0, 3.00600004196167, 0.0, 8.38790035247803, 0.0, 0.354501157999039, 0.0, 6.0, 3.0
-InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29, 3.0, 8.0, 1.24000000953674, 5.0, 0.965200006961823, , 0.0, 1.0, 0.570999979972839, 0.0, 22.619499206543, 1.0, 0.931611061096191, 2.0, 0.0, 6.0
-InChI%3D1S%2FC10H14N2O4S%2Fc1-9-3-5-10%286-4-9%2917%2814%2C15%2916-8-7-12%282%2911-13%2Fh3-6H%2C7-8H2%2C1-2H3, 10.0, 31.0, 1.78999996185303, 17.0, 0.260899990797043, , 6.0, 6.0, 1.03199994564056, 0.0, 39.2720985412598, 0.0, 0.0680688098073006, 2.0, 6.0, 10.0
-InChI%3D1S%2FC12H12N2O3.Na%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%3B%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29%3B%2Fq%3B%2B1%2Fp-1, 8.0, 29.0, 2.11999988555908, 18.0, , , 6.0, 2.0, 3.76099991798401, 0.0, , 1.0, , 2.0, 6.0, 2.0
-InChI%3D1S%2FC5H10N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H2, 3.0, 18.0, 1.67999994754791, 8.0, -0.954599976539612, , 0.0, 1.0, 0.818000018596649, 0.0, 26.8162994384766, 0.0, 0.911261141300201, 0.0, 0.0, 2.0
-InChI%3D1S%2FC21H32O3%2Fc1-19-11-13%2812-22%2918%2823%2910-14%2819%294-5-15-16%2819%296-8-20%282%2917%2815%297-9-21%2820%2C3%2924%2Fh12%2C14-17%2C22%2C24H%2C4-11H2%2C1-3H3%2Ft14-%2C15%3F%2C16-%2C17-%2C19%3F%2C20%3F%2C21-%2Fm0%2Fs1, 5.0, 56.0, 3.44000005722046, 27.0, 0.760399997234344, , 0.0, 0.0, 5.11899995803833, 1.0, 91.8352966308594, 2.0, 0.578208148479462, 0.0, 0.0, 2.0
-InChI%3D1S%2FC6H8N4O3S%2Fc1-2-7-5%2811%299-6-8-3-4%2814-6%2910%2812%2913%2Fh3H%2C2H2%2C1H3%2C%28H2%2C7%2C8%2C9%2C11%29, 12.0, 22.0, 1.24000000953674, 14.0, 0.59799998998642, , 5.0, 4.0, 1.09899997711182, 0.0, 31.4605007171631, 3.0, 0.357603996992111, 2.0, 5.0, 6.0
-InChI%3D1S%2FC14H12N4O2%2Fc15-5-1-2-6%2816%2910-9%285%2913%2819%2911-7%2817%293-4-8%2818%2912%2811%2914%2810%2920%2Fh1-4H%2C15-18H2, 20.0, 32.0, 2.33999991416931, 22.0, -3.5271999835968, , 12.0, 0.0, -0.889999985694885, 0.0, 27.5804004669189, 4.0, 12.4411401748657, 0.0, 12.0, 0.0
-InChI%3D1S%2FC12H12N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10%2C13-14H, 14.0, 26.0, 2.55999994277954, 15.0, -0.840799987316132, , 12.0, 3.0, 5.67000007629395, 1.0, 6.59999990463257, 2.0, 0.706944644451141, 0.0, 12.0, 2.0
-InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3, 5.0, 15.0, 1.78999996185303, 6.0, 0.862399995326996, , 0.0, 3.0, 0.955999970436096, 0.0, 26.3542995452881, 0.0, 0.743733763694763, 3.0, 0.0, 7.0
-InChI%3D1S%2FC14H13NO%2Fc1-11%2816%2915-14-9-7-13%288-10-14%2912-5-3-2-4-6-12%2Fh2-10H%2C1H3%2C%28H%2C15%2C16%29, 15.0, 29.0, 2.77999997138977, 17.0, -0.0716999992728233, , 12.0, 2.0, 6.07000017166138, 1.0, 13.9007997512817, 1.0, 0.00514088990166783, 2.0, 12.0, 4.0
-InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29, 5.0, 29.0, 1.46000003814697, 14.0, 0.0841000005602837, , 0.0, 5.0, 0.834999978542328, 0.0, 55.7243003845215, 1.0, 0.0070728100836277, 2.0, 0.0, 7.0
-InChI%3D1S%2FC2H6N2O%2Fc1-3-4%282%295%2Fh1-2H3, 3.0, 11.0, 1.35000002384186, 4.0, -1.0025999546051, , 0.0, 0.0, 0.23199999332428, 0.0, 14.775899887085, 0.0, 1.00520670413971, 0.0, 0.0, 5.0
-InChI%3D1S%2FC6H7ClN%2Fc7-9-6-4-2-1-3-5%286%298%2Fh1-4H%2C8H2, 7.0, 9.0, 1.89999997615814, 7.0, , , 6.0, 0.0, , 0.0, , 0.0, , 0.0, 6.0, 0.0
-InChI%3D1S%2FC12H9N3O3S%2Fc16-12-7-3-1-2-4-8%287%2913-11%2814-12%299-5-6-10%2819-9%2915%2817%2918%2Fh1-6%2C11%2C13H%2C%28H%2C14%2C16%29, 10.0, 28.0, 2.00999999046326, 21.0, -0.380899995565414, , 11.0, 2.0, 3.32699990272522, 0.0, 25.6646995544434, 1.0, 0.14508481323719, 0.0, 11.0, 3.0
-InChI%3D1S%2FC7H8O2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4%2C8-9H%2C1H3, 8.0, 17.0, 2.00999999046326, 9.0, -0.278600007295609, , 6.0, 0.0, 1.62199997901917, 0.0, 10.6312999725342, 2.0, 0.0776179581880569, 0.0, 6.0, 0.0
-InChI%3D1S%2FC8H10N3O.ClH%2Fc9-4-3-6-1-2-8%2812%297%285-6%2911-10%3B%2Fh1-2%2C5%2C10H%2C3-4%2C9H2%3B1H, 9.0, 23.0, 1.78999996185303, 12.0, -1.90429997444153, , 0.0, 2.0, -0.0750000029802322, 0.0, 41.902099609375, 1.0, 3.62635850906372, 2.0, 0.0, 3.0
-InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H, 0.0, 5.0, 1.24000000953674, 3.0, 1.6172000169754, , 0.0, 0.0, 2.07399988174438, 0.0, 21.364200592041, 0.0, 2.6153359413147, 0.0, 0.0, 4.0
-InChI%3D1S%2FC5H12N2O4%2Fc8-2-1-7%286-11%293-5%2810%294-9%2Fh5%2C8-10H%2C1-4H2, 3.0, 23.0, 1.35000002384186, 10.0, -1.49870002269745, , 0.0, 6.0, -2.36500000953674, 0.0, 38.597599029541, 3.0, 2.24610161781311, 3.0, 0.0, 11.0
-InChI%3D1S%2FC19H27NO6%2Fc1-5-13-10-12%282%2919%283%2C24%2918%2823%2925-11-14-6-8-20%284%299-7-15%2816%2814%2921%2926-17%2813%2922%2Fh5-6%2C12%2C15%2C24H%2C7-11H2%2C1-4H3%2Fb13-5%3F%2C14-6-%2Ft12-%2C15-%2C19-%2Fm1%2Fs1, 5.0, 53.0, 2.77999997138977, 27.0, 0.391999989748001, , 0.0, 0.0, 1.02699995040894, 0.0, 94.714599609375, 1.0, 0.153663992881775, 2.0, 0.0, 2.0
-InChI%3D1S%2FC4H5NS%2Fc1-2-3-5-4-6%2Fh2H%2C1%2C3H2, 3.0, 11.0, 1.67999994754791, 5.0, 0.759199976921082, , 0.0, 2.0, 1.72099995613098, 0.0, 30.1049995422363, 0.0, 0.576384663581848, 3.0, 0.0, 6.0
-InChI%3D1S%2FC11H14O2%2Fc1-4-5-9-6-7-10%2812-2%2911%288-9%2913-3%2Fh4%2C6-8H%2C1%2C5H2%2C2-3H3, 8.0, 27.0, 2.45000004768372, 13.0, 0.925100028514862, , 6.0, 4.0, 3.00300002098083, 0.0, 29.5333995819092, 0.0, 0.855809986591339, 3.0, 6.0, 3.0
-InChI%3D1S%2FC11H23NO2%2Fc12-10-8-6-4-2-1-3-5-7-9-11%2813%2914%2Fh1-10%2C12H2%2C%28H%2C13%2C14%29, 3.0, 37.0, 2.33999991416931, 13.0, -3.24729990959167, , 0.0, 10.0, 2.89299988746643, 0.0, 43.9956016540527, 2.0, 10.5449571609497, 11.0, 0.0, 14.0
-InChI%3D1S%2FC9H6N2O2%2Fc1-7-2-3-8%2810-5-12%294-9%287%2911-6-13%2Fh2-4H%2C1H3, 12.0, 19.0, 2.00999999046326, 13.0, -0.627600014209747, , 6.0, 2.0, 5.42600011825562, 1.0, 20.3850994110107, 0.0, 0.393881767988205, 0.0, 6.0, 3.0
-InChI%3D1S%2FC3H4O2.Na%2Fc4-2-1-3-5%3B%2Fh1-4H%3B%2Fq%3B%2B1%2Fp-1%2Fb2-1-%3B, 5.0, 9.0, 1.46000003814697, 4.0, , , 0.0, 1.0, -0.0439999997615814, 0.0, , 0.0, , 3.0, 0.0, 5.0
-InChI%3D1S%2FCN4O8%2Fc6-2%287%291%283%288%299%2C4%2810%2911%295%2812%2913, 3.0, 13.0, 0.25, 12.0, 1.45580005645752, , 0.0, 4.0, 0.796999990940094, 0.0, 13.8470001220703, 0.0, 2.11935353279114, 0.0, 0.0, 13.0
-InChI%3D1S%2FC4H5N3O3%2Fc8-3-1-2-7%286-10%294%289%295-3%2Fh1-2H2%2C%28H%2C5%2C8%2C9%29, 8.0, 15.0, 1.24000000953674, 10.0, -0.400299996137619, , 0.0, 1.0, -0.819000005722046, 0.0, 31.1375007629395, 1.0, 0.160240083932877, 0.0, 0.0, 1.0
-InChI%3D1S%2FC20H22O3%2Fc1-20%282%2C19%2821%2922%2923-16-12-10-15%2811-13-16%2918-9-5-7-14-6-3-4-8-17%2814%2918%2Fh3-4%2C6%2C8%2C10-13%2C18H%2C5%2C7%2C9H2%2C1-2H3%2C%28H%2C21%2C22%29, 7.0, 45.0, 3.32999992370605, 25.0, 0.0992999970912933, , 12.0, 4.0, 7.44000005722046, 1.0, 38.6148986816406, 1.0, 0.00986049044877291, 3.0, 12.0, 7.0
-InChI%3D1S%2FC19H20O4%2Fc1-2-3-13-22-18%2820%2916-11-7-8-12-17%2816%2919%2821%2923-14-15-9-5-4-6-10-15%2Fh4-12H%2C2-3%2C13-14H2%2C1H3, 12.0, 43.0, 3.10999989509583, 24.0, -0.683700025081635, , 12.0, 9.0, 6.59200000762939, 1.0, 33.7296981811523, 0.0, 0.467445701360703, 4.0, 12.0, 7.0
-InChI%3D1S%2FC7H9NO2S%2Fc1-6-4-2-3-5-7%286%2911%288%2C9%2910%2Fh2-5H%2C1H3%2C%28H2%2C8%2C9%2C10%29, 10.0, 20.0, 1.78999996185303, 11.0, -0.29449999332428, , 6.0, 1.0, 1.20299994945526, 0.0, 16.6436996459961, 1.0, 0.0867302492260933, 0.0, 6.0, 3.0
-InChI%3D1S%2FC34H27N9O7S2.2Na%2Fc35-22-10-15-27%2826%2836%2918-22%2941-38-24-11-6-19%287-12-24%2920-8-13-25%2814-9-20%2940-42-32-28%2851%2845%2C46%2947%2916-21-17-29%2852%2848%2C49%2950%2933%2834%2844%2930%2821%2931%2832%2937%2943-39-23-4-2-1-3-5-23%3B%3B%2Fh1-18%2C44H%2C35-37H2%2C%28H%2C45%2C46%2C47%29%28H%2C48%2C49%2C50%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb41-38%2B%2C42-40%2B%2C43-39%2B%3B%3B, 52.0, 79.0, 3.0, 57.0, , , 34.0, 9.0, 7.45599985122681, 2.0, , 4.0, , 0.0, 35.0, 3.0
-InChI%3D1S%2FC10H10N4O3S%2Fc1-6%282%2912-13-10-11-5-8%2818-10%297-3-4-9%2817-7%2914%2815%2916%2Fh3-5H%2C1-2H3%2C%28H%2C11%2C13%29, 16.0, 28.0, 1.67999994754791, 19.0, -0.116300001740456, , 10.0, 4.0, 2.63599991798401, 0.0, 33.0503005981445, 2.0, 0.0135256899520755, 3.0, 10.0, 5.0
-InChI%3D1S%2FC7H9NO.ClH%2Fc1-9-7-5-3-2-4-6%287%298%3B%2Fh2-5H%2C8H2%2C1H3%3B1H, 8.0, 20.0, 1.89999997615814, 9.0, -0.801699995994568, , 6.0, 1.0, 1.83399999141693, 0.0, 11.5378999710083, 1.0, 0.642722904682159, 0.0, 6.0, 2.0
-InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-2-1-3-8%284-7%296-10%2Fh1-4H2, 3.0, 18.0, 1.24000000953674, 10.0, -0.486900001764297, , 0.0, 2.0, -0.017000000923872, 0.0, 33.8841018676758, 0.0, 0.237071603536606, 0.0, 0.0, 2.0
-InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296, 2.0, 6.0, 1.24000000953674, 5.0, 2.42880010604858, , 0.0, 0.0, 3.02600002288818, 0.0, 30.9454002380371, 0.0, 5.89906930923462, 2.0, 0.0, 6.0
-InChI%3D1S%2FC16H12N2O4%2Fc1-21-15-7-11%283-5-13%2815%2917-9-19%2912-4-6-14%2818-10-20%2916%288-12%2922-2%2Fh3-8H%2C1-2H3, 20.0, 34.0, 2.55999994277954, 23.0, -1.37320005893707, , 12.0, 5.0, 6.3899998664856, 1.0, 29.5146007537842, 0.0, 1.8856782913208, 0.0, 12.0, 3.0
-InChI%3D1S%2FC18H22ClNO.ClH%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%3B%2Fh2-11%2C16H%2C12-15H2%2C1H3%3B1H, 7.0, 45.0, 3.0, 22.0, 0.650699973106384, , 12.0, 8.0, 7.06099987030029, 1.0, 38.2780990600586, 0.0, 0.423410475254059, 3.0, 12.0, 9.0
-InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H, 10.0, 18.0, 2.55999994277954, 11.0, 0.0, , 10.0, 0.0, 5.93800020217896, 1.0, 0.0, 0.0, 0.0, 0.0, 11.0, 0.0
-InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2, 0.0, 7.0, 1.57000005245209, 3.0, -0.130899995565414, , 0.0, 0.0, -0.189999997615814, 0.0, 11.0434999465942, 0.0, 0.0171348098665476, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H8O%2Fc1-2-4-3-5-4%2Fh4H%2C2-3H2%2C1H3, 0.0, 13.0, 1.78999996185303, 5.0, -0.42960000038147, , 0.0, 1.0, 0.628000020980835, 0.0, 18.5394992828369, 0.0, 0.184556156396866, 2.0, 0.0, 2.0
-InChI%3D1S%2FC4H10N2O2%2Fc1-4%287%293-6%282%295-8%2Fh4%2C7H%2C3H2%2C1-2H3, 3.0, 18.0, 1.46000003814697, 7.0, -0.459300011396408, , 0.0, 3.0, -0.523999989032745, 0.0, 30.9272003173828, 1.0, 0.210956484079361, 3.0, 0.0, 8.0
-InChI%3D1S%2FC6H10N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3H%2C1%2C4-5H2%2C2H3, 3.0, 20.0, 1.67999994754791, 9.0, 0.149599999189377, , 0.0, 5.0, -0.0130000002682209, 0.0, 38.8488998413086, 0.0, 0.0223801601678133, 3.0, 0.0, 10.0
-InChI%3D1S%2FC12H15ClO3%2Fc1-4-15-11%2814%2912%282%2C3%2916-10-7-5-9%2813%296-8-10%2Fh5-8H%2C4H2%2C1-3H3, 7.0, 31.0, 2.33999991416931, 16.0, 1.44589996337891, , 6.0, 5.0, 3.21000003814697, 0.0, 37.2849006652832, 0.0, 2.09062671661377, 3.0, 6.0, 9.0
-InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2, 2.0, 6.0, 1.57000005245209, 2.0, 1.00199997425079, , 0.0, 0.0, 1.54900002479553, 0.0, 14.7774000167847, 0.0, 1.00400400161743, 0.0, 0.0, 3.0
-InChI%3D1S%2FC12H13N3O2%2Fc16-9-7-8%2813-1-2-13%2912%2817%2911%2815-5-6-15%2910%289%2914-3-4-14%2Fh7H%2C1-6H2, 11.0, 30.0, 2.23000001907349, 20.0, -0.929899990558624, , 0.0, 3.0, 0.744000017642975, 0.0, 66.2043991088867, 0.0, 0.864714026451111, 0.0, 0.0, 0.0
-InChI%3D1S%2FC15H17N3%2Fc1-12-5-4-6-14%2811-12%2917-16-13-7-9-15%2810-8-13%2918%282%293%2Fh4-11H%2C1-3H3%2Fb17-16%2B, 15.0, 35.0, 2.77999997138977, 19.0, 0.859799981117249, , 12.0, 3.0, 5.81099987030029, 1.0, 19.7935009002686, 0.0, 0.739256024360657, 0.0, 12.0, 2.0
-InChI%3D1S%2FC12H12O4%2Fc1-3-10%2816-8%282%2913%299-4-5-11-12%286-9%2915-7-14-11%2Fh3-6%2C10H%2C1%2C7H2%2C2H3, 8.0, 28.0, 2.33999991416931, 17.0, 0.273200005292892, , 6.0, 4.0, 2.27300000190735, 0.0, 32.7332992553711, 0.0, 0.0746382400393486, 3.0, 6.0, 7.0
-InChI%3D1S%2FCH2O%2Fc1-2%2Fh1H2, 1.0, 4.0, 1.46000003814697, 1.0, -0.884100019931793, , 0.0, 0.0, 0.0209999997168779, 0.0, 6.30700016021729, 0.0, 0.781632781028748, 0.0, 0.0, 1.0
-InChI%3D1S%2FC2H3Br%2Fc1-2-3%2Fh2H%2C1H2, 2.0, 6.0, 1.57000005245209, 2.0, 1.08599996566772, , 0.0, 0.0, 1.72500002384186, 0.0, 17.5953998565674, 0.0, 1.17939603328705, 0.0, 0.0, 3.0
-InChI%3D1S%2FC2HCl2F3%2Fc3-1%284%292%285%2C6%297%2Fh1H, 0.0, 8.0, 1.12999999523163, 6.0, 2.29769992828369, , 0.0, 1.0, 2.81800007820129, 0.0, 21.816499710083, 0.0, 5.27942514419556, 2.0, 0.0, 7.0
-InChI%3D1S%2FC7H6N4O3S%2Fc8-10-7-9-4%283-15-7%295-1-2-6%2814-5%2911%2812%2913%2Fh1-3H%2C8H2%2C%28H%2C9%2C10%29, 15.0, 21.0, 1.35000002384186, 16.0, -0.625999987125397, , 10.0, 3.0, 0.989000022411346, 0.0, 20.8824996948242, 2.0, 0.391876012086868, 0.0, 10.0, 2.0
-InChI%3D1S%2FC5H11N3O3%2Fc1-2-8%287-11%295%2810%296-3-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29, 6.0, 22.0, 1.35000002384186, 10.0, 0.0143999997526407, , 0.0, 5.0, -0.633000016212463, 0.0, 38.9272994995117, 2.0, 0.000207360004424118, 2.0, 0.0, 11.0
-InChI%3D1S%2FC9H4Cl6O4%2Fc10-3-4%2811%298%2813%292%286%2818%2919%291%285%2816%2917%297%283%2C12%299%288%2C14%2915%2Fh1-2H%2C%28H%2C16%2C17%29%28H%2C18%2C19%29, 3.0, 23.0, 1.35000002384186, 20.0, 2.4423999786377, , 0.0, 2.0, 1.2849999666214, 0.0, 71.7750015258789, 2.0, 5.96531772613525, 0.0, 0.0, 3.0
-InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29, 3.0, 23.0, 1.67999994754791, 9.0, -0.479900002479553, , 0.0, 5.0, -1.49500000476837, 0.0, 40.1720008850098, 2.0, 0.230304002761841, 4.0, 0.0, 10.0
-InChI%3D1S%2FC2H5NS%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, 2.0, 9.0, 1.46000003814697, 3.0, 0.555599987506866, , 0.0, 0.0, 0.742999970912933, 0.0, 20.3145999908447, 1.0, 0.30869135260582, 2.0, 0.0, 4.0
-InChI%3D1S%2FC19H20N2O2%2Fc1-2-3-14-17-18%2822%2920%2815-10-6-4-7-11-15%2921%2819%2817%2923%2916-12-8-5-9-13-16%2Fh4-13%2C17H%2C2-3%2C14H2%2C1H3, 18.0, 43.0, 3.10999989509583, 25.0, -1.68340003490448, , 12.0, 5.0, 5.66400003433228, 1.0, 34.6782989501953, 0.0, 2.83383560180664, 4.0, 12.0, 4.0
-InChI%3D1S%2FC33H40N2O9%2Fc1-38-19-7-8-20-21-9-10-35-16-18-13-27%2844-32%2836%2917-11-25%2839-2%2930%2841-4%2926%2812-17%2940-3%2931%2842-5%2928%2833%2837%2943-6%2922%2818%2915-24%2835%2929%2821%2934-23%2820%2914-19%2Fh7-8%2C11-12%2C14%2C18%2C22%2C24%2C27-28%2C31%2C34H%2C9-10%2C13%2C15-16H2%2C1-6H3%2Ft18-%2C22%3F%2C24-%2C27%3F%2C28%2B%2C31%2B%2Fm1%2Fs1, 12.0, 83.0, 3.88000011444092, 49.0, -0.443800002336502, , 12.0, 10.0, 2.89499998092651, 0.0, 99.9578018188477, 1.0, 0.196958437561989, 0.0, 16.0, 4.0
-InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H, 0.0, 5.0, 1.24000000953674, 3.0, 1.82099997997284, , 0.0, 0.0, 2.41199994087219, 0.0, 24.172700881958, 0.0, 3.31604099273682, 0.0, 0.0, 4.0
-InChI%3D1S%2FC6H12N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3%2C6%2C9H%2C1%2C4-5H2%2C2H3, 3.0, 22.0, 1.67999994754791, 9.0, 0.157499998807907, , 0.0, 5.0, 0.090999998152256, 0.0, 40.089900970459, 1.0, 0.0248062498867512, 3.0, 0.0, 10.0
-InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29, 6.0, 16.0, 1.12999999523163, 8.0, -0.114100001752377, , 0.0, 4.0, -0.857999980449677, 0.0, 29.1236000061035, 3.0, 0.0130188101902604, 2.0, 0.0, 9.0
-InChI%3D1S%2FC6H10N6O%2Fc1-12%282%2911-10-6-4%285%287%2913%298-3-9-6%2Fh3H%2C1-2H3%2C%28H2%2C7%2C13%29%28H%2C8%2C9%29%2Fb11-10-, 3.0, 22.0, 1.35000002384186, 13.0, -0.520699977874756, , 0.0, 3.0, -1.77999997138977, 0.0, 26.0491008758545, 3.0, 0.271128475666046, 0.0, 5.0, 5.0
-InChI%3D1S%2FC3H6O3S%2Fc4-7%285%293-1-2-6-7%2Fh1-3H2, 4.0, 13.0, 1.35000002384186, 7.0, -0.657599985599518, , 0.0, 0.0, -0.78600001335144, 0.0, 22.3278007507324, 0.0, 0.432437747716904, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H12N2%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C13-14H2, 14.0, 26.0, 2.55999994277954, 15.0, -1.49979996681213, , 12.0, 1.0, 3.12199997901917, 0.0, 8.44419956207275, 2.0, 2.24940013885498, 0.0, 12.0, 0.0
-InChI%3D1S%2FC19H27NO7%2Fc1-11-9-19%2812%282%2927-19%2917%2823%2926-14-6-8-20%284%297-5-13%2815%2814%2921%2910-25-16%2822%2918%2811%2C3%2924%2Fh5%2C11-12%2C14%2C24H%2C6-10H2%2C1-4H3%2Fb13-5-%2Ft11-%2C12-%2C14-%2C18-%2C19%3F%2Fm1%2Fs1, 4.0, 54.0, 2.67000007629395, 29.0, -1.01660001277924, , 0.0, 0.0, 0.0799999982118607, 0.0, 93.2130966186523, 1.0, 1.03347551822662, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H15Cl6O4P%2Fc10-1-7%282-11%2917-20%2816%2C18-8%283-12%294-13%2919-9%285-14%296-15%2Fh7-9H%2C1-6H2, 5.0, 35.0, 1.24000000953674, 19.0, 4.28550004959106, , 0.0, 12.0, 4.01100015640259, 1.0, 83.1691970825195, 0.0, 18.3655109405518, 3.0, 0.0, 20.0
-InChI%3D1S%2FC8H6N4O4S%2Fc1-4%2813%299-8-11-10-7%2817-8%295-2-3-6%2816-5%2912%2814%2915%2Fh2-3H%2C1H3%2C%28H%2C9%2C11%2C13%29, 16.0, 23.0, 1.35000002384186, 18.0, 0.318199992179871, , 10.0, 3.0, 1.28699994087219, 0.0, 26.1991996765137, 2.0, 0.101251237094402, 2.0, 10.0, 4.0
-InChI%3D1S%2FC2H6N2O2%2Fc1-3%282%294%285%296%2Fh1-2H3, 4.0, 12.0, 1.24000000953674, 5.0, -0.353300005197525, , 0.0, 1.0, 0.0769999995827675, 0.0, 16.7791996002197, 0.0, 0.12482088804245, 0.0, 0.0, 6.0
-InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2%2Fb2-1%2B, 2.0, 12.0, 1.67999994754791, 5.0, 1.97959995269775, , 0.0, 2.0, 1.94000005722046, 0.0, 30.9741992950439, 0.0, 3.91881608963013, 4.0, 0.0, 6.0
-InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3%2Fb6-5-, 5.0, 20.0, 1.78999996185303, 8.0, -0.499000012874603, , 0.0, 3.0, 2.0699999332428, 0.0, 30.1527004241943, 0.0, 0.249000996351242, 6.0, 0.0, 9.0
-InChI%3D1S%2FC4H10N2O%2Fc1-3-5-6%287%294-2%2Fh3-4H2%2C1-2H3, 3.0, 17.0, 1.57000005245209, 6.0, -0.277599990367889, , 0.0, 2.0, 0.233999997377396, 0.0, 23.5503005981445, 0.0, 0.0770617574453354, 2.0, 0.0, 7.0
-InChI%3D1S%2FC13H12Cl2N2%2Fc14-10-6-8%281-3-12%2810%2916%295-9-2-4-13%2817%2911%2815%297-9%2Fh1-4%2C6-7H%2C5%2C16-17H2, 7.0, 29.0, 2.45000004768372, 18.0, 0.444999992847443, , 12.0, 2.0, 3.46099996566772, 0.0, 24.2763996124268, 2.0, 0.1980250030756, 0.0, 12.0, 0.0
-InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H, 5.0, 9.0, 1.78999996185303, 5.0, -0.154100000858307, , 5.0, 0.0, 1.01800000667572, 0.0, 1.61909997463226, 0.0, 0.0237468108534813, 0.0, 5.0, 0.0
-InChI%3D1S%2FBrHO3.K%2Fc2-1%283%294%3B%2Fh%28H%2C2%2C3%2C4%29%3B%2Fq%3B%2B1%2Fp-1, 4.0, 5.0, 0.910000026226044, 3.0, , , 0.0, 0.0, 0.0520000010728836, 0.0, , 0.0, , 0.0, 0.0, 4.0
-InChI%3D1S%2FHNO2.Na%2Fc2-1-3%3B%2Fh%28H%2C2%2C3%29%3B%2Fq%3B%2B1%2Fp-1, 3.0, 4.0, 1.01999998092651, 2.0, , , 0.0, 0.0, 0.379999995231628, 0.0, , 0.0, , 0.0, 0.0, 3.0
-InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H, 2.0, 6.0, 1.35000002384186, 4.0, 1.74279999732971, , 0.0, 0.0, 2.64199995994568, 0.0, 25.2621994018555, 0.0, 3.03735184669495, 2.0, 0.0, 5.0
-InChI%3D1S%2FC4H9N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C8%29, 6.0, 18.0, 1.35000002384186, 8.0, 0.097900003194809, , 0.0, 4.0, 0.632000029087067, 0.0, 30.6571006774902, 2.0, 0.00958441011607647, 3.0, 0.0, 9.0
-InChI%3D1S%2F3C2H7O3P.Al.3H%2Fc3%2A1-2-5-6%283%294%3B%3B%3B%3B%2Fh3%2A6H%2C2H2%2C1H3%2C%28H%2C3%2C4%29%3B%3B%3B%3B%2Fq%3B%3B%3B%2B3%3B%3B%3B%2Fp-3, 4.0, 37.0, 0.689999997615814, 15.0, , , 0.0, 6.0, -2.51399993896484, 0.0, , 0.0, , 2.0, 0.0, 6.0
-InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3, 7.0, 18.0, 1.12999999523163, 10.0, 1.03320002555847, , 0.0, 4.0, 1.20700001716614, 0.0, 42.2757987976074, 0.0, 1.06750226020813, 2.0, 0.0, 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, 5.0, 44.0, 2.23000001907349, 16.0, -1.63800001144409, , 0.0, 12.0, 3.35999989509583, 1.0, 60.3110008239746, 0.0, 2.68304395675659, 4.0, 0.0, 17.0
-InChI%3D1S%2FC5H9NO%2Fc7-6-5-3-1-2-4-5%2Fh7H%2C1-4H2, 3.0, 16.0, 1.78999996185303, 7.0, -0.728299975395203, , 0.0, 0.0, 0.593999981880188, 0.0, 23.8024997711182, 1.0, 0.530420899391174, 0.0, 0.0, 2.0
-InChI%3D1S%2FC9H16ClN3O7%2Fc10-1-2-13%2812-19%299%2818%2911-5-7%2816%296%2815%294%283-14%2920-8%285%2917%2Fh4-8%2C14-17H%2C1-3H2%2C%28H%2C11%2C18%29%2Ft4-%2C5%3F%2C6-%2C7-%2C8%3F%2Fm1%2Fs1, 6.0, 36.0, 1.24000000953674, 20.0, -1.07469999790192, , 0.0, 6.0, -1.57200002670288, 0.0, 65.4400024414062, 5.0, 1.15498006343842, 2.0, 0.0, 9.0
-InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3, 12.0, 19.0, 1.57000005245209, 13.0, 0.548799991607666, , 6.0, 2.0, 2.68199992179871, 0.0, 11.273699760437, 0.0, 0.301181435585022, 0.0, 6.0, 3.0
-InChI%3D1S%2FC20H14O4%2Fc21-15-9-5-13%286-10-15%2920%2814-7-11-16%2822%2912-8-14%2918-4-2-1-3-17%2818%2919%2823%2924-20%2Fh1-12%2C21-22H, 9.0, 38.0, 3.22000002861023, 27.0, -1.29659998416901, , 18.0, 2.0, 4.90999984741211, 0.0, 13.7238998413086, 2.0, 1.68117153644562, 0.0, 18.0, 0.0
-InChI%3D1S%2FC34H28N6O16S4.4Na%2Fc1-55-25-9-15%283-5-23%2825%2937-39-31-27%2859%2849%2C50%2951%2911-17-7-19%2857%2843%2C44%2945%2913-21%2835%2929%2817%2933%2831%2941%2916-4-6-24%2826%2810-16%2956-2%2938-40-32-28%2860%2852%2C53%2954%2912-18-8-20%2858%2846%2C47%2948%2914-22%2836%2930%2818%2934%2832%2942%3B%3B%3B%3B%2Fh3-14%2C41-42H%2C35-36H2%2C1-2H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29%3B%3B%3B%3B%2Fq%3B4%2A%2B1%2Fp-4%2Fb39-37%2B%2C40-38%2B%3B%3B%3B%3B, 58.0, 88.0, 1.89999997615814, 65.0, , , 32.0, 11.0, 0.589999973773956, 2.0, , 4.0, , 0.0, 34.0, 3.0
-InChI%3D1S%2F2C6H11Br4O4P.Mg%2Fc2%2A7-1-5%289%293-13-15%2811%2C12%2914-4-6%2810%292-8%3B%2Fh2%2A5-6H%2C1-4H2%2C%28H%2C11%2C12%29%3B%2Fq%3B%3B%2B2%2Fp-2, 5.0, 51.0, 0.689999997615814, 28.0, , , 0.0, 16.0, 5.90199995040894, 2.0, , 0.0, , 3.0, 0.0, 15.0
-InChI%3D1S%2FC10Cl10O%2Fc11-2-1%2821%293%2812%296%2815%294%282%2C13%298%2817%295%282%2C14%297%283%2C16%299%286%2C18%2910%288%2C19%2920, 2.0, 21.0, 1.35000002384186, 25.0, 4.4987998008728, , 0.0, 0.0, 3.7260000705719, 0.0, 83.1997985839844, 0.0, 20.239200592041, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H6N2O4%2Fc1-5-6%288%2810%2911%293-2-4-7%285%299%2812%2913%2Fh2-4H%2C1H3, 12.0, 19.0, 1.57000005245209, 13.0, 0.548799991607666, , 6.0, 2.0, 2.68199992179871, 0.0, 11.273699760437, 0.0, 0.301181435585022, 0.0, 6.0, 3.0
-InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, 15.0, 27.0, 2.45000004768372, 16.0, -1.65390002727509, , 12.0, 2.0, 2.62400007247925, 0.0, 10.0633001327515, 2.0, 2.73538517951965, 0.0, 12.0, 0.0
-InChI%3D1S%2FC5H8N3O4%2Fc6-3%285%2810%2911%292-12-4%289%291-8-7%2Fh1%2C3%2C7H%2C2%2C6H2%2C%28H%2C10%2C11%29%2Ft3-%2Fm0%2Fs1, 6.0, 19.0, 1.24000000953674, 11.0, -2.27880001068115, , 0.0, 5.0, -1.307000041008, 0.0, 30.605899810791, 3.0, 5.1929292678833, 3.0, 0.0, 12.0
-InChI%3D1S%2FC16H23NO6%2Fc1-9-13%2818%2923-11-5-7-17-6-4-10%2812%2811%2917%298-22-14%2819%2916%283%2C21%2915%289%2C2%2920%2Fh4%2C9%2C11-12%2C20-21H%2C5-8H2%2C1-3H3%2Ft9-%2C11%3F%2C12%2B%2C15%2B%2C16-%2Fm0%2Fs1, 3.0, 46.0, 2.45000004768372, 25.0, -0.567399978637695, , 0.0, 0.0, 0.0179999992251396, 0.0, 78.9782028198242, 2.0, 0.321942746639252, 0.0, 0.0, 0.0
-InChI%3D1S%2FC15H17N5O%2Fc1-2-21-9-8-12-13%2811-6-4-3-5-7-11%2919-15%2816%2920-14%2812%2917-10-18-20%2Fh3-7%2C10H%2C2%2C8-9H2%2C1H3%2C%28H2%2C16%2C19%29, 6.0, 40.0, 2.45000004768372, 23.0, -0.903800010681152, , 6.0, 5.0, 3.8050000667572, 0.0, 36.6338005065918, 4.0, 0.816854417324066, 2.0, 11.0, 5.0
-InChI%3D1S%2FC6H11N3O3%2Fc1-3-9%288-12%296%2811%297-4-5%282%2910%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C11%29, 6.0, 23.0, 1.46000003814697, 11.0, 0.219999998807907, , 0.0, 5.0, -0.623000025749207, 0.0, 42.4575004577637, 1.0, 0.0483999997377396, 3.0, 0.0, 12.0
-InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2%2Ft3-%2C4%2B%2C5%2B%2C6-, 0.0, 24.0, 1.46000003814697, 11.0, -0.241999998688698, , 0.0, 5.0, -0.272000014781952, 0.0, 50.472599029541, 4.0, 0.0585639998316765, 6.0, 0.0, 12.0
-InChI%3D1S%2FC34H59NO15%2Fc1-5-6-9-20%283%2932%2850-31%2844%2917-23%2834%2847%2948%2915-29%2841%2942%2927%2849-30%2843%2916-22%2833%2845%2946%2914-28%2839%2940%2913-19%282%2912-24%2836%2910-7-8-11-25%2837%2918-26%2838%2921%284%2935%2Fh19-27%2C32%2C36-38H%2C5-18%2C35H2%2C1-4H3%2C%28H%2C39%2C40%29%28H%2C41%2C42%29%28H%2C45%2C46%29%28H%2C47%2C48%29%2Ft19-%2C20%2B%2C21%2B%2C22%2B%2C23%2B%2C24%2B%2C25-%2C26%2B%2C27-%2C32-%2Fm1%2Fs1, 3.0, 109.0, 3.44000005722046, 49.0, -4.60459995269775, , 0.0, 31.0, 1.73099994659424, 3.0, 161.808502197266, 8.0, 21.2023410797119, 20.0, 0.0, 50.0
-InChI%3D1S%2FC7H14N2O%2Fc10-8-9-6-4-2-1-3-5-7-9%2Fh1-7H2, 3.0, 24.0, 1.89999997615814, 10.0, -1.53059995174408, , 0.0, 1.0, 1.74500000476837, 0.0, 32.6394996643066, 0.0, 2.34273624420166, 0.0, 0.0, 2.0
-InChI%3D1S%2FC17H14O6%2Fc1-20-10-6-11-14%288-4-5-21-17%288%2922-11%2915-13%2810%297-2-3-9%2818%2912%287%2916%2819%2923-15%2Fh4-6%2C8-9%2C17-18H%2C2-3H2%2C1H3%2Ft8-%2C9%2B%2C17%3F%2Fm0%2Fs1, 11.0, 39.0, 2.67000007629395, 27.0, -1.40030002593994, , 6.0, 1.0, 1.0, 0.0, 52.9067001342773, 1.0, 1.96084010601044, 0.0, 6.0, 2.0
-InChI%3D1S%2FC10H22N2O%2Fc1-3-5-7-9-12%2811-13%2910-8-6-4-2%2Fh3-10H2%2C1-2H3, 3.0, 35.0, 2.23000001907349, 12.0, -1.71599996089935, , 0.0, 9.0, 3.56299996376038, 0.0, 47.3484992980957, 0.0, 2.94465589523315, 5.0, 0.0, 13.0
-InChI%3D1S%2FC12H9NO2%2Fc14-13%2815%2911-7-6-9-5-4-8-2-1-3-10%2811%2912%288%299%2Fh1-3%2C6-7H%2C4-5H2, 13.0, 24.0, 2.45000004768372, 17.0, 0.0781999975442886, , 10.0, 1.0, 4.86499977111816, 0.0, 12.6166000366211, 0.0, 0.00611524004489183, 0.0, 11.0, 3.0
-InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2, 0.0, 8.0, 1.46000003814697, 3.0, 1.80079996585846, , 0.0, 1.0, 2.41599988937378, 0.0, 26.6226005554199, 0.0, 3.24288058280945, 2.0, 0.0, 4.0
-InChI%3D1S%2FCo.H2O4S.7H2O%2Fc%3B1-5%282%2C3%294%3B%3B%3B%3B%3B%3B%3B%2Fh%3B%28H2%2C1%2C2%2C3%2C4%29%3B7%2A1H2%2Fq%2B2%3B%3B%3B%3B%3B%3B%3B%3B%2Fp-2, 5.0, 27.0, 0.0299999993294477, 4.0, , , 0.0, 0.0, -5.03299999237061, 2.0, , 7.0, , 0.0, 0.0, 5.0
-InChI%3D1S%2FC15H9NO4%2Fc1-8-6-7-11-12%2813%288%2916%2819%2920%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C1H3, 19.0, 29.0, 2.55999994277954, 22.0, 0.0678000003099442, , 12.0, 1.0, 3.65100002288818, 0.0, 19.0799007415771, 0.0, 0.00459684012457728, 0.0, 12.0, 2.0
-InChI%3D1S%2FC37H36N2O6S2.Na%2Fc1-3-38%2826-28-10-8-14-35%2824-28%2946%2840%2C41%2942%2933-20-16-31%2817-21-33%2937%2830-12-6-5-7-13-30%2932-18-22-34%2823-19-32%2939%284-2%2927-29-11-9-15-36%2825-29%2947%2843%2C44%2945%3B%2Fh5-25H%2C3-4%2C26-27H2%2C1-2H3%2C%28H-%2C40%2C41%2C42%2C43%2C44%2C45%29%3B%2Fq%3B%2B1%2Fp-1, 21.0, 83.0, 4.32000017166138, 51.0, , , 24.0, 11.0, 8.47500038146973, 2.0, , 0.0, , 2.0, 24.0, 4.0
-InChI%3D1S%2FC16H17NO2%2Fc1-18-15-9-10-16%2819-2%2913%2811-15%296-3-12-4-7-14%2817%298-5-12%2Fh3-11H%2C17H2%2C1-2H3%2Fb6-3%2B, 17.0, 36.0, 2.89000010490417, 20.0, -0.385699987411499, , 12.0, 4.0, 4.19600009918213, 0.0, 29.1723003387451, 1.0, 0.148764491081238, 2.0, 12.0, 2.0
-InChI%3D1S%2FC13H13N3.C2H4O2%2Fc1-7-12-11%288%282%2915-13%287%2914%299-5-3-4-6-10%289%2916-12%3B1-2%283%294%2Fh3-6%2C16H%2C1-2H3%2C%28H2%2C14%2C15%29%3B1H3%2C%28H%2C3%2C4%29, 7.0, 38.0, 2.55999994277954, 21.0, -0.410800009965897, , 6.0, 0.0, , , 39.9930000305176, 3.0, 0.168756633996964, 2.0, 10.0, 4.0
-InChI%3D1S%2FC4H8%2Fc1-4%282%293%2Fh1H2%2C2-3H3, 2.0, 12.0, 1.89999997615814, 3.0, 1.79589998722076, , 0.0, 0.0, 1.84800004959106, 0.0, 19.9312992095947, 0.0, 3.22525691986084, 3.0, 0.0, 4.0
-InChI%3D1S%2FC11H12N3O3%2Fc12-10%2815%296-9-11%2816%2917-13-14%289%297-8-4-2-1-3-5-8%2Fh1-5%2C16H%2C6-7H2%2C%28H2%2C12%2C15%29%2Fq%2B1%2Fp-1, 6.0, 32.0, 2.00999999046326, 18.0, -1.49870002269745, , 6.0, 4.0, 1.87100005149841, 0.0, 30.7980003356934, 3.0, 2.24610161781311, 2.0, 6.0, 4.0
-InChI%3D1S%2FC20H12%2Fc1-2-7-17-15%284-1%2912-16-9-8-13-5-3-6-14-10-11-18%2817%2920%2816%2919%2813%2914%2Fh1-12H, 20.0, 32.0, 3.66000008583069, 24.0, 0.0, , 20.0, 0.0, 10.2119998931885, 1.0, 0.0, 0.0, 0.0, 0.0, 24.0, 0.0
-InChI%3D1S%2F2C17H13ClN2O4S.Ba%2Fc2%2A1-10-8-14%2816%289-13%2810%2918%2925%2822%2C23%2924%2919-20-17-12-5-3-2-4-11%2812%296-7-15%2817%2921%3B%2Fh2%2A2-9%2C21H%2C1H3%2C%28H%2C22%2C23%2C24%29%3B%2Fq%3B%3B%2B2%2Fp-2%2Fb2%2A20-19%2B%3B, 23.0, 75.0, 3.32999992370605, 54.0, , , 32.0, 6.0, , 0.0, , 2.0, , 0.0, 34.0, 3.0
-InChI%3D1S%2FC8H6N4O4S%2Fc13-4-9-11-8-10-5%283-17-8%296-1-2-7%2816-6%2912%2814%2915%2Fh1-4H%2C%28H%2C9%2C13%29%28H%2C10%2C11%29, 17.0, 23.0, 1.35000002384186, 18.0, -0.180999994277954, , 10.0, 4.0, 2.51999998092651, 0.0, 25.4272003173828, 2.0, 0.0327610000967979, 0.0, 10.0, 4.0
-InChI%3D1S%2FC7H5NS2%2Fc9-7-8-5-3-1-2-4-6%285%2910-7%2Fh1-4H%2C%28H%2C8%2C9%29, 9.0, 15.0, 1.89999997615814, 11.0, 1.10160005092621, , 9.0, 0.0, 2.52800011634827, 0.0, 16.4850997924805, 1.0, 1.21352255344391, 0.0, 10.0, 0.0
-InChI%3D1S%2FC20H19NO3%2Fc1-20%282%2910-9-13-15%2824-20%2911-16%2823-4%2917-18%2813%2921%283%2914-8-6-5-7-12%2814%2919%2817%2922%2Fh5-11H%2C1-4H3, 19.0, 43.0, 3.22000002861023, 27.0, 0.70770001411438, , 12.0, 1.0, 3.75, 0.0, 46.9622001647949, 0.0, 0.500839293003082, 0.0, 12.0, 2.0
-InChI%3D1S%2FC19H18N2O7S2.2Na%2Fc1-10-6-12%283%2916%287-11%2810%292%2920-21-18-15-5-4-14%2829%2823%2C24%2925%298-13%2815%299-17%2819%2818%2922%2930%2826%2C27%2928%3B%3B%2Fh4-9%2C22H%2C1-3H3%2C%28H%2C23%2C24%2C25%29%28H%2C26%2C27%2C28%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb21-20%2B%3B%3B, 27.0, 48.0, 2.11999988555908, 32.0, , , 16.0, 4.0, 4.44099998474121, 0.0, , 1.0, , 0.0, 17.0, 3.0
-InChI%3D1S%2FC3H3N3O3%2Fc7-2-1-6%285-9%293%288%294-2%2Fh1H2%2C%28H%2C4%2C7%2C8%29, 8.0, 12.0, 1.12999999523163, 9.0, -0.648500025272369, , 0.0, 1.0, -0.976999998092651, 0.0, 26.4381008148193, 1.0, 0.420552253723145, 0.0, 0.0, 1.0
-InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920-3%2921-15-10-6-13%287-11-15%2912-4-8-14%2818%299-5-12%2Fh4-11H%2C1-3H3, 13.0, 38.0, 2.89000010490417, 22.0, 1.19550001621246, , 12.0, 5.0, 5.1729998588562, 1.0, 32.9911003112793, 0.0, 1.42922019958496, 3.0, 12.0, 8.0
-InChI%3D1S%2FC14H8O3%2Fc15-11-7-3-6-10-12%2811%2914%2817%299-5-2-1-4-8%289%2913%2810%2916%2Fh1-7%2C15H, 17.0, 25.0, 2.67000007629395, 19.0, -0.987900018692017, , 12.0, 0.0, 2.68899989128113, 0.0, 13.2566003799438, 1.0, 0.975946426391602, 0.0, 12.0, 0.0
-InChI%3D1S%2FC7H7N3O2%2Fc1-10%289-12%297-4-2-6%288-11%293-5-7%2Fh2-5H%2C1H3, 11.0, 19.0, 1.67999994754791, 12.0, -0.0348000004887581, , 6.0, 3.0, 1.59200000762939, 0.0, 15.7966995239258, 0.0, 0.00121103995479643, 0.0, 6.0, 4.0
-InChI%3D1S%2FC7H3Cl5O%2Fc1-13-7-5%2811%293%289%292%288%294%2810%296%287%2912%2Fh1H3, 7.0, 16.0, 1.57000005245209, 13.0, 3.66969990730286, , 6.0, 1.0, 2.83200001716614, 0.0, 35.393798828125, 0.0, 13.4666976928711, 0.0, 6.0, 2.0
-InChI%3D1S%2FC13H12N4.ClH%2Fc1-17-11-7-10%289-5-3-2-4-6-9%298-15-12%2811%2916-13%2817%2914%3B%2Fh2-8H%2C1H3%2C%28H2%2C14%2C15%2C16%29%3B1H, 16.0, 31.0, 2.33999991416931, 19.0, -0.36719998717308, , 12.0, 1.0, 5.46600008010864, 1.0, 16.8964004516602, 2.0, 0.134835839271545, 0.0, 12.0, 0.0
-InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, 3.0, 9.0, 1.46000003814697, 3.0, -0.0716999992728233, , 0.0, 0.0, 0.32600000500679, 0.0, 13.9007997512817, 2.0, 0.00514088990166783, 2.0, 0.0, 4.0
-InChI%3D1S%2FC4H8N2S4.Mn%2Fc7-3%288%295-1-2-6-4%289%2910%3B%2Fh1-2H2%2C%28H2%2C5%2C7%2C8%29%28H2%2C6%2C9%2C10%29%3B%2Fq%3B%2B2%2Fp-2, 4.0, 17.0, 1.12999999523163, 9.0, , , 0.0, 3.0, 0.0500000007450581, 0.0, , 0.0, , 2.0, 0.0, 10.0
-InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29, 10.0, 17.0, 1.67999994754791, 10.0, -1.230299949646, , 6.0, 2.0, -0.570999979972839, 0.0, 12.7256002426147, 2.0, 1.51363813877106, 0.0, 6.0, 4.0
-InChI%3D1S%2FC8H16N2O3%2Fc1-3-5-6-7-10%289-12%298%2811%2913-4-2%2Fh3-7H2%2C1-2H3, 6.0, 29.0, 1.78999996185303, 12.0, -0.134900003671646, , 0.0, 8.0, 2.22900009155273, 0.0, 44.2860984802246, 0.0, 0.0181980095803738, 5.0, 0.0, 13.0
-InChI%3D1S%2FC3H5N3O4%2Fc4-3%289%296%285-10%291-2%287%298%2Fh1H2%2C%28H2%2C4%2C9%29%28H%2C7%2C8%29, 6.0, 15.0, 1.01999998092651, 9.0, -0.118600003421307, , 0.0, 4.0, -0.767000019550323, 0.0, 28.9158992767334, 3.0, 0.0140659604221582, 2.0, 0.0, 10.0
-InChI%3D1S%2FC6H6N2O3%2Fc7-5-3-4%288%2810%2911%291-2-6%285%299%2Fh1-3%2C9H%2C7H2, 11.0, 17.0, 1.57000005245209, 11.0, -1.25680005550385, , 6.0, 1.0, 1.11899995803833, 0.0, 9.67249965667725, 2.0, 1.57954621315002, 0.0, 6.0, 3.0
-InChI%3D1S%2FC4Cl6%2Fc5-1%283%287%298%292%286%294%289%2910, 4.0, 10.0, 1.24000000953674, 9.0, 3.6340000629425, , 0.0, 1.0, 4.4520001411438, 0.0, 50.6963996887207, 0.0, 13.2059564590454, 4.0, 0.0, 10.0
-InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2, 0.0, 11.0, 1.57000005245209, 5.0, -0.641600012779236, , 0.0, 1.0, -0.861999988555908, 0.0, 17.0060005187988, 1.0, 0.411650568246841, 0.0, 0.0, 2.0
-InChI%3D1S%2FC3H5NO%2Fc1-2-3%284%295%2Fh2H%2C1H2%2C%28H2%2C4%2C5%29, 5.0, 10.0, 1.57000005245209, 4.0, 0.519200026988983, , 0.0, 1.0, 0.617999970912933, 0.0, 18.5485000610352, 2.0, 0.269568651914597, 3.0, 0.0, 5.0
-InChI%3D1S%2FC2H7AsO2%2Fc1-3%282%2C4%295%2Fh1-2H3%2C%28H%2C4%2C5%29, 3.0, 12.0, 1.35000002384186, 4.0, 0.0649999976158142, , 0.0, 0.0, 0.216999992728233, 0.0, 15.1141004562378, 1.0, 0.00422499980777502, 0.0, 0.0, 5.0
-InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3, 2.0, 7.0, 1.24000000953674, 3.0, -0.280600011348724, , 0.0, 0.0, 0.34799998998642, 0.0, 8.30230045318604, 0.0, 0.0787363573908806, 0.0, 0.0, 4.0
-InChI%3D1S%2FC12H11N3.C2H4O2%2Fc1-7-6-9-8-4-2-3-5-10%288%2914-12%289%2915-11%287%2913%3B1-2%283%294%2Fh2-6H%2C1H3%2C%28H3%2C13%2C14%2C15%29%3B1H3%2C%28H%2C3%2C4%29, 7.0, 35.0, 2.45000004768372, 20.0, -0.0904999971389771, , 6.0, 0.0, , , 35.451000213623, 3.0, 0.00819025002419949, 2.0, 10.0, 4.0
-InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29, 5.0, 12.0, 1.24000000953674, 6.0, -0.884400010108948, , 0.0, 0.0, 0.347000002861023, 0.0, 18.7336006164551, 4.0, 0.782163381576538, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H11N5O2%2Fc1-8-7%2813%295-6%2812%283%2910-14%299-4-11%285%292%2Fh4H%2C1-3H3%2C%28H%2C8%2C13%29, 3.0, 25.0, 1.46000003814697, 14.0, -0.211600005626678, , 0.0, 3.0, -0.109999999403954, 0.0, 36.8414001464844, 2.0, 0.0447745583951473, 0.0, 5.0, 4.0
-InChI%3D1S%2FC14H15N3%2Fc1-10-5-3-4-6-14%2810%2917-16-12-7-8-13%2815%2911%282%299-12%2Fh3-9H%2C15H2%2C1-2H3%2Fb17-16%2B, 15.0, 32.0, 2.67000007629395, 18.0, 0.534099996089935, , 12.0, 2.0, 5.08300018310547, 1.0, 15.226300239563, 1.0, 0.285262823104858, 0.0, 12.0, 2.0
-InChI%3D1S%2FC19H17N3.ClH%2Fc20-16-7-1-13%282-8-16%2919%2814-3-9-17%2821%2910-4-14%2915-5-11-18%2822%2912-6-15%3B%2Fh1-12%2C20H%2C21-22H2%3B1H, 22.0, 41.0, 3.10999989509583, 24.0, -0.806599974632263, , 12.0, 2.0, 4.68300008773804, 0.0, 43.4127006530762, 3.0, 0.650603532791138, 0.0, 12.0, 0.0
-InChI%3D1S%2FC7H5NO4%2Fc9-7%2810%295-1-3-6%284-2-5%298%2811%2912%2Fh1-4H%2C%28H%2C9%2C10%29, 12.0, 17.0, 1.67999994754791, 12.0, -0.286399990320206, , 6.0, 2.0, 1.91999995708466, 0.0, 10.1050996780396, 1.0, 0.0820249617099762, 0.0, 6.0, 3.0
-InChI%3D1S%2FC8Cl4N2%2Fc9-5-3%281-13%296%2810%298%2812%297%2811%294%285%292-14, 10.0, 14.0, 1.67999994754791, 14.0, 3.0466001033783, , 6.0, 0.0, 1.87600004673004, 0.0, 34.8596000671387, 0.0, 9.28177165985107, 0.0, 6.0, 2.0
-InChI%3D1S%2FC9H10N4S%2Fc10-7-3-1-6%282-4-7%298-5-14-9%2812-8%2913-11%2Fh1-5H%2C10-11H2%2C%28H%2C12%2C13%29, 14.0, 24.0, 1.89999997615814, 15.0, -1.17519998550415, , 11.0, 2.0, 1.28799998760223, 0.0, 20.5997009277344, 4.0, 1.38109505176544, 0.0, 11.0, 2.0
-InChI%3D1S%2FC7H10N2%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C8-9H2%2C1H3, 8.0, 19.0, 2.00999999046326, 9.0, -0.857800006866455, , 6.0, 0.0, 0.84799998998642, 0.0, 13.9462995529175, 2.0, 0.735820829868317, 0.0, 6.0, 0.0
-InChI%3D1S%2FC6H8N2.2ClH%2Fc7-5-3-1-2-4-6%285%298%3B%3B%2Fh1-4H%2C7-8H2%3B2%2A1H, 8.0, 20.0, 1.67999994754791, 8.0, -1.49979996681213, , 6.0, 0.0, 1.75999999046326, 0.0, 8.44419956207275, 2.0, 2.24940013885498, 0.0, 6.0, 0.0
-InChI%3D1S%2FC15H22O3%2Fc1-11-6-7-12%282%2913%2810-11%2918-9-5-8-15%283%2C4%2914%2816%2917%2Fh6-7%2C10H%2C5%2C8-9H2%2C1-4H3%2C%28H%2C16%2C17%29, 7.0, 40.0, 2.77999997138977, 18.0, 1.59029996395111, , 6.0, 6.0, 3.74799990653992, 0.0, 45.9565010070801, 1.0, 2.52905416488647, 5.0, 6.0, 10.0
-InChI%3D1S%2FC12H14N4.4ClH%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%3B%3B%3B%3B%2Fh1-6H%2C13-16H2%3B4%2A1H, 16.0, 38.0, 1.89999997615814, 17.0, -2.99959993362427, , 12.0, 1.0, 2.68799996376038, 0.0, 16.8883991241455, 4.0, 8.99760055541992, 0.0, 12.0, 0.0
-InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H, 9.0, 19.0, 2.23000001907349, 12.0, 0.00609999988228083, , 6.0, 0.0, 2.45099997520447, 0.0, 15.7062997817993, 0.0, 3.72100003005471e-05, 0.0, 6.0, 0.0
-InChI%3D1S%2FC4H10N2O3%2Fc1-6%285-9%292-4%288%293-7%2Fh4%2C7-8H%2C2-3H2%2C1H3, 3.0, 19.0, 1.35000002384186, 8.0, -0.959299981594086, , 0.0, 4.0, -1.65600001811981, 0.0, 32.3053016662598, 2.0, 0.920256495475769, 3.0, 0.0, 9.0
-InChI%3D1S%2FC14H12FNO%2Fc1-10%2817%2916-14-8-4-12%285-9-14%2911-2-6-13%2815%297-3-11%2Fh2-9H%2C1H3%2C%28H%2C16%2C17%29, 15.0, 29.0, 2.67000007629395, 18.0, 0.407999992370605, , 12.0, 2.0, 4.97399997711182, 0.0, 14.7733001708984, 1.0, 0.166464000940323, 2.0, 12.0, 4.0
-InChI%3D1S%2FC6H7ClN2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H%2C8-9H2, 8.0, 16.0, 1.78999996185303, 9.0, -0.755500018596649, , 6.0, 0.0, 0.832000017166138, 0.0, 14.0598001480103, 2.0, 0.570780277252197, 0.0, 6.0, 0.0
-InChI%3D1S%2FC18H15N3O%2Fc1-21%2820-22%2916-10-7-14%288-11-16%296-9-15-12-13-19-18-5-3-2-4-17%2815%2918%2Fh2-13H%2C1H3, 21.0, 37.0, 3.0, 24.0, 0.456299990415573, , 16.0, 4.0, 5.81799983978271, 1.0, 24.672399520874, 0.0, 0.208209693431854, 2.0, 17.0, 4.0
-InChI%3D1S%2FC24H26FNO4%2Fc1-15%282%2926-21-6-4-3-5-20%2821%2924%2816-7-9-17%2825%2910-8-16%2922%2826%2912-11-18%2827%2913-19%2828%2914-23%2829%2930%2Fh3-12%2C15%2C18-19%2C27-28H%2C13-14H2%2C1-2H3%2C%28H%2C29%2C30%29%2Fb12-11%2B%2Ft18-%2C19-%2Fm1%2Fs1, 17.0, 56.0, 3.44000005722046, 32.0, -0.501500010490417, , 15.0, 8.0, 4.95800018310547, 0.0, 55.8894996643066, 3.0, 0.251502245664597, 7.0, 16.0, 11.0
-InChI%3D1S%2FC9H10N4O4%2Fc1-6-5-12%289%2814%2911-6%2910-4-7-2-3-8%2817-7%2913%2815%2916%2Fh2-4%2C6H%2C5H2%2C1H3%2C%28H%2C11%2C14%29%2Fb10-4%2B, 14.0, 27.0, 1.57000005245209, 18.0, -0.409000009298325, , 5.0, 3.0, 2.05599999427795, 0.0, 36.9487991333008, 1.0, 0.167281001806259, 0.0, 5.0, 2.0
-InChI%3D1S%2FC2H2ClF3%2Fc3-1-2%284%2C5%296%2Fh1H2, 0.0, 8.0, 1.24000000953674, 5.0, 1.85399997234344, , 0.0, 1.0, 2.40000009536743, 0.0, 16.7623996734619, 0.0, 3.43731594085693, 2.0, 0.0, 6.0
-InChI%3D1S%2FC6H9NO6.3Na.H2O%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%3B%3B%3B%3B%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29%3B%3B%3B%3B1H2%2Fq%3B3%2A%2B1%3B%2Fp-3, 3.0, 25.0, 0.910000026226044, 12.0, , , 0.0, 6.0, -3.70099997520447, 0.0, , 1.0, , 2.0, 0.0, 13.0
-InChI%3D1S%2FH4N2.H2O4S%2Fc1-2%3B1-5%282%2C3%294%2Fh1-2H2%3B%28H2%2C1%2C2%2C3%2C4%29, 5.0, 13.0, 0.689999997615814, 5.0, -1.84879994392395, , 0.0, 0.0, -3.92799997329712, 0.0, 23.7653999328613, 4.0, 3.41806149482727, 0.0, 0.0, 5.0
-InChI%3D1S%2FC18H16N2O7S2.2Na%2Fc1-10-3-6-15%2811%282%297-10%2919-20-17-14-5-4-13%2828%2822%2C23%2924%298-12%2814%299-16%2818%2817%2921%2929%2825%2C26%2927%3B%3B%2Fh3-9%2C21H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb20-19%2B%3B%3B, 27.0, 45.0, 2.00999999046326, 31.0, , , 16.0, 4.0, 4.11800003051758, 0.0, , 1.0, , 0.0, 17.0, 3.0
-InChI%3D1S%2FC8H8N4O4%2Fc13-8-9-3-4-11%288%2910-5-6-1-2-7%2816-6%2912%2814%2915%2Fh1-2%2C5H%2C3-4H2%2C%28H%2C9%2C13%29, 14.0, 24.0, 1.46000003814697, 17.0, -0.510399997234344, , 5.0, 3.0, 1.52999997138977, 0.0, 32.2709999084473, 1.0, 0.260508149862289, 0.0, 5.0, 2.0
-InChI%3D1S%2FC4H6O2%2Fc1-3-6-4%282%295%2Fh3H%2C1H2%2C2H3, 5.0, 12.0, 1.67999994754791, 5.0, 0.10530000180006, , 0.0, 2.0, 0.694000005722046, 0.0, 21.1049995422363, 0.0, 0.0110880900174379, 2.0, 0.0, 6.0
-InChI%3D1S%2FC9H12N2O2%2Fc1-2-13-8-5-3-7%284-6-8%2911-9%2810%2912%2Fh3-6H%2C2H2%2C1H3%2C%28H3%2C10%2C11%2C12%29, 11.0, 25.0, 2.00999999046326, 13.0, 0.124099999666214, , 6.0, 4.0, 2.53900003433228, 0.0, 22.5870990753174, 3.0, 0.0154008101671934, 2.0, 6.0, 4.0
-InChI%3D1S%2FC22H32O2%2Fc1-17%289-7-10-18%282%2914-16-24-20%284%2923%2912-13-21-19%283%2911-8-15-22%2821%2C5%296%2Fh7%2C9-10%2C12-14H%2C8%2C11%2C15-16H2%2C1-6H3, 10.0, 56.0, 3.66000008583069, 24.0, 4.16400003433228, , 0.0, 7.0, 6.89799976348877, 1.0, 105.91429901123, 0.0, 17.3388957977295, 9.0, 0.0, 15.0
-InChI%3D1S%2FC7H8O3%2Fc1-10-6-4-2-3-5%288%297%286%299%2Fh2-4%2C8-9H%2C1H3, 9.0, 18.0, 1.89999997615814, 10.0, -0.972400009632111, , 6.0, 1.0, 0.855000019073486, 0.0, 12.4449996948242, 2.0, 0.945561766624451, 0.0, 6.0, 2.0
-InChI%3D1S%2FC9H10N4O3S%2Fc1-12%282%2911-9-10-6%285-17-9%297-3-4-8%2816-7%2913%2814%2915%2Fh3-5H%2C1-2H3%2C%28H%2C10%2C11%29, 15.0, 27.0, 1.57000005245209, 18.0, 0.187299996614456, , 10.0, 4.0, 1.76800000667572, 0.0, 29.889799118042, 1.0, 0.0350812897086143, 0.0, 10.0, 4.0
-InChI%3D1S%2FC6H5N2O2.H3N%2Fc9-7-8%2810%296-4-2-1-3-5-6%3B%2Fh1-5H%3B1H3%2Fq-1%3B%2Fp%2B1, 10.0, 20.0, 1.57000005245209, 10.0, -2.35179996490479, , 6.0, 2.0, 1.77799999713898, 0.0, 8.65709972381592, 1.0, 5.53096342086792, 0.0, 6.0, 4.0
-InChI%3D1S%2FC8H10%2Fc1-7-4-3-5-8%282%296-7%2Fh3-6H%2C1-2H3, 6.0, 18.0, 2.33999991416931, 8.0, 1.28400003910065, , 6.0, 0.0, 4.70800018310547, 0.0, 11.0041999816895, 0.0, 1.64865601062775, 0.0, 6.0, 0.0
-InChI%3D1S%2F2C3H7NS2.Zn%2Fc2%2A1-4%282%293%285%296%3B%2Fh2%2A1-2H3%2C%28H%2C5%2C6%29%3B%2Fq%3B%3B%2B2%2Fp-2, 4.0, 25.0, 1.35000002384186, 10.0, , , 0.0, 2.0, 0.741999983787537, 0.0, , 0.0, , 0.0, 0.0, 6.0
-InChI%3D1S%2FC13H28N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-15%282%2914-16%2Fh3-13H2%2C1-2H3, 3.0, 44.0, 2.55999994277954, 15.0, -2.82859992980957, , 0.0, 12.0, 5.6269998550415, 2.0, 54.0806999206543, 0.0, 8.00097751617432, 12.0, 0.0, 16.0
-InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2, 4.0, 7.0, 1.67999994754791, 3.0, 0.635500013828278, , 0.0, 0.0, 0.319999992847443, 0.0, 16.2707004547119, 0.0, 0.403860241174698, 3.0, 0.0, 4.0
-InChI%3D1S%2FC2H5N5O3%2Fc1-6%285-8%292%283%294-7%289%2910%2Fh1H3%2C%28H2%2C3%2C4%29, 9.0, 15.0, 0.800000011920929, 9.0, -0.0163000002503395, , 0.0, 4.0, 0.47299998998642, 0.0, 25.9393005371094, 2.0, 0.00026569000328891, 0.0, 0.0, 10.0
-InChI%3D1S%2FC6H12N2OS2%2Fc1-4-8%287-9%295%282%2911-6%283%2910-4%2Fh4-6H%2C1-3H3, 3.0, 23.0, 1.57000005245209, 11.0, 2.48729991912842, , 0.0, 1.0, 1.8289999961853, 0.0, 49.611499786377, 0.0, 6.18666124343872, 0.0, 0.0, 2.0
-InChI%3D1S%2FC10H15N3O2%2Fc1-13%2812-15%297-3-5-10%2814%299-4-2-6-11-8-9%2Fh2%2C4%2C6%2C8%2C10%2C14H%2C3%2C5%2C7H2%2C1H3, 6.0, 30.0, 2.00999999046326, 15.0, -1.08659994602203, , 6.0, 6.0, 0.648000001907349, 0.0, 30.8516998291016, 1.0, 1.18069958686829, 4.0, 6.0, 9.0
-InChI%3D1S%2FC9H7N3O4S%2Fc1-5%2813%2910-9-11-6%284-17-9%297-2-3-8%2816-7%2912%2814%2915%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C13%29, 16.0, 24.0, 1.57000005245209, 18.0, 0.318199992179871, , 10.0, 3.0, 1.75300002098083, 0.0, 26.1991996765137, 1.0, 0.101251237094402, 2.0, 10.0, 4.0
-InChI%3D1S%2FC3H8N2O%2Fc1-3-4-5%282%296%2Fh3H2%2C1-2H3, 3.0, 14.0, 1.46000003814697, 5.0, -0.640100002288818, , 0.0, 1.0, 0.488999992609024, 0.0, 19.1630992889404, 0.0, 0.409728020429611, 2.0, 0.0, 6.0
-InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H, 7.0, 13.0, 1.46000003814697, 12.0, 3.26119995117188, , 6.0, 0.0, 2.31299996376038, 0.0, 30.642599105835, 1.0, 10.635425567627, 0.0, 6.0, 0.0
-InChI%3D1S%2FC10H13N5O3S%2Fc11-10-13-8-7%289%2819%2914-10%2912-3-15%288%296-1-4%2817%295%282-16%2918-6%2Fh3-6%2C16-17H%2C1-2H2%2C%28H3%2C11%2C13%2C14%2C19%29%2Ft4-%2C5%3F%2C6%2B%2Fm0%2Fs1, 4.0, 34.0, 1.57000005245209, 21.0, -1.1327999830246, , 0.0, 2.0, -0.122000001370907, 0.0, 50.312198638916, 6.0, 1.28323578834534, 0.0, 5.0, 2.0
-InChI%3D1S%2FC6H7N3O%2Fc1-9%288-10%296-4-2-3-5-7-6%2Fh2-5H%2C1H3, 9.0, 17.0, 1.67999994754791, 10.0, -0.0115000000223517, , 6.0, 2.0, 1.16100001335144, 0.0, 14.3537998199463, 0.0, 0.000132250002934597, 0.0, 6.0, 4.0
-InChI%3D1S%2FC19H30O5%2Fc1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18%2823-15-24-19%2912-16%2817%296-4-2%2Fh12-13H%2C3-11%2C14-15H2%2C1-2H3, 8.0, 54.0, 3.0, 25.0, -1.3944000005722, , 6.0, 13.0, 3.76500010490417, 1.0, 66.0001983642578, 0.0, 1.94435131549835, 4.0, 6.0, 12.0
-InChI%3D1S%2FC4H8N2O2%2Fc7-4-1-2-6%283-4%295-8%2Fh4%2C7H%2C1-3H2, 3.0, 16.0, 1.46000003814697, 8.0, -0.889299988746643, , 0.0, 1.0, -0.569999992847443, 0.0, 26.9556007385254, 1.0, 0.790854513645172, 0.0, 0.0, 2.0
-InChI%3D1S%2FC3H9AsO%2Fc1-4%282%2C3%295%2Fh1-3H3, 1.0, 14.0, 1.57000005245209, 4.0, 0.283600002527237, , 0.0, 0.0, 0.40200001001358, 0.0, 18.5330009460449, 0.0, 0.0804289579391479, 0.0, 0.0, 5.0
-InChI%3D1S%2FC15H11NO2%2Fc1-9%2817%2916-10-6-7-12-11-4-2-3-5-13%2811%2915%2818%2914%2812%298-10%2Fh2-8H%2C1H3%2C%28H%2C16%2C17%29, 17.0, 29.0, 2.77999997138977, 20.0, -0.335500001907349, , 12.0, 1.0, 4.04500007629395, 0.0, 19.2467994689941, 1.0, 0.112560249865055, 2.0, 12.0, 4.0
-InChI%3D1S%2FC10H14N2O2%2Fc1-8%2812%282%2911-14%2910%2813%299-6-4-3-5-7-9%2Fh3-8%2C10%2C13H%2C1-2H3, 6.0, 28.0, 2.11999988555908, 14.0, -0.52130001783371, , 6.0, 4.0, 2.4210000038147, 0.0, 29.6128997802734, 1.0, 0.271753698587418, 3.0, 6.0, 8.0
-InChI%3D1S%2FC9H4F3N3O4S%2Fc10-9%2811%2C12%297%2816%2914-8-13-4%283-20-8%295-1-2-6%2819-5%2915%2817%2918%2Fh1-3H%2C%28H%2C13%2C14%2C16%29, 16.0, 24.0, 1.24000000953674, 21.0, 1.40639996528625, , 10.0, 4.0, 2.45199990272522, 0.0, 27.209400177002, 1.0, 1.97796094417572, 2.0, 10.0, 7.0
-InChI%3D1S%2FC23H31NO2.ClH%2Fc1-6-22%2826-19%283%2925%2923%2817-18%282%2924%284%295%2C20-13-9-7-10-14-20%2921-15-11-8-12-16-21%3B%2Fh7-16%2C18%2C22H%2C6%2C17H2%2C1-5H3%3B1H%2Ft18-%2C22-%3B%2Fm0.%2Fs1, 6.0, 59.0, 3.54999995231628, 27.0, -0.456999987363815, , 12.0, 9.0, 9.10599994659424, 1.0, 54.9981994628906, 0.0, 0.208848997950554, 7.0, 12.0, 14.0
-InChI%3D1S%2FC3H6FN3O2%2Fc4-1-2-7%286-9%293%285%298%2Fh1-2H2%2C%28H2%2C5%2C8%29, 6.0, 15.0, 1.12999999523163, 8.0, 0.825900018215179, , 0.0, 4.0, 0.479000002145767, 0.0, 27.4314994812012, 2.0, 0.682110786437988, 2.0, 0.0, 9.0
-InChI%3D1S%2FC2H3F%2Fc1-2-3%2Fh2H%2C1H2, 2.0, 6.0, 1.57000005245209, 2.0, 0.543099999427795, , 0.0, 0.0, 1.08800005912781, 0.0, 10.1890001296997, 0.0, 0.294957607984543, 0.0, 0.0, 3.0
-InChI%3D1S%2FC17H19N3O3S%2Fc1-10-8-18-15%2811%282%2916%2810%2923-4%299-24%2821%2917-19-13-6-5-12%2822-3%297-14%2813%2920-17%2Fh5-8H%2C9H2%2C1-4H3%2C%28H%2C19%2C20%29, 9.0, 42.0, 2.55999994277954, 26.0, 0.670799970626831, , 12.0, 5.0, 1.09800004959106, 0.0, 39.5131988525391, 2.0, 0.449972629547119, 0.0, 16.0, 3.0
-InChI%3D1S%2FC2H2F4%2Fc3-1-2%284%2C5%296%2Fh1H2, 0.0, 8.0, 1.24000000953674, 5.0, 1.58940005302429, , 0.0, 1.0, 2.26300001144409, 0.0, 12.0193004608154, 0.0, 2.52619242668152, 2.0, 0.0, 6.0
-InChI%3D1S%2FC9H8O4%2Fc10-7-3-1-6%285-8%287%2911%292-4-9%2812%2913%2Fh1-5%2C10-11H%2C%28H%2C12%2C13%29%2Fb4-2%2B, 13.0, 21.0, 2.00999999046326, 13.0, -0.799300014972687, , 6.0, 2.0, 1.14100003242493, 0.0, 22.5919990539551, 3.0, 0.638880491256714, 3.0, 6.0, 5.0
-InChI%3D1S%2FC9H18N3OP%2Fc1-7-4-10%287%2914%2813%2C11-5-8%2811%292%2912-6-9%2812%293%2Fh7-9H%2C4-6H2%2C1-3H3, 5.0, 32.0, 1.89999997615814, 16.0, -1.69229996204376, , 0.0, 3.0, 0.188999995589256, 0.0, 56.4845008850098, 0.0, 2.86387920379639, 0.0, 0.0, 1.0
-InChI%3D1S%2FC12Br10O%2Fc13-1-3%2815%297%2819%2911%288%2820%294%281%2916%2923-12-9%2821%295%2817%292%2814%296%2818%2910%2812%2922, 13.0, 23.0, 1.57000005245209, 24.0, 8.73390007019043, , 12.0, 2.0, 9.02400016784668, 1.0, 87.6100997924805, 0.0, 76.281005859375, 0.0, 12.0, 0.0
-InChI%3D1S%2FC13H14Cl2O3%2Fc1-12%282%2C11%2816%2917%2918-9-5-3-8%284-6-9%2910-7-13%2810%2C14%2915%2Fh3-6%2C10H%2C7H2%2C1-2H3%2C%28H%2C16%2C17%29, 7.0, 32.0, 2.33999991416931, 19.0, 1.23710000514984, , 6.0, 4.0, 3.59400010108948, 0.0, 44.3660011291504, 1.0, 1.53041636943817, 3.0, 6.0, 7.0
-InChI%3D1S%2FC5H11NO2%2Fc1-3-5%284-2%296%287%298%2Fh5H%2C3-4H2%2C1-2H3, 2.0, 19.0, 1.67999994754791, 7.0, -0.682500004768372, , 0.0, 3.0, 1.442999958992, 0.0, 23.8108997344971, 0.0, 0.465806245803833, 5.0, 0.0, 8.0
-InChI%3D1S%2FC7H9N.ClH%2Fc1-6-3-2-4-7%288%295-6%3B%2Fh2-5H%2C8H2%2C1H3%3B1H, 7.0, 19.0, 2.00999999046326, 8.0, -0.107900001108646, , 6.0, 0.0, 2.81200003623962, 0.0, 9.72420024871826, 1.0, 0.0116424104198813, 0.0, 6.0, 0.0
-InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2, 0.0, 11.0, 1.46000003814697, 5.0, 2.2056999206543, , 0.0, 2.0, 2.37899994850159, 0.0, 29.6690998077393, 0.0, 4.8651123046875, 3.0, 0.0, 6.0
-InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh2-4H%2C1H3%2Fb3-2-, 4.0, 11.0, 1.78999996185303, 4.0, 0.608200013637543, , 0.0, 1.0, 0.816999971866608, 0.0, 22.2698993682861, 0.0, 0.369907230138779, 4.0, 0.0, 5.0
-InChI%3D1S%2FC6H6ClN.ClH%2Fc7-4-6-2-1-3-8-5-6%3B%2Fh1-3%2C5H%2C4H2%3B1H, 6.0, 16.0, 1.78999996185303, 8.0, 0.755900025367737, , 6.0, 1.0, 2.3659999370575, 0.0, 10.3277997970581, 0.0, 0.571384787559509, 0.0, 6.0, 2.0
-InChI%3D1S%2FC4H8N2S4.Zn%2Fc7-3%288%295-1-2-6-4%289%2910%3B%2Fh1-2H2%2C%28H2%2C5%2C7%2C8%29%28H2%2C6%2C9%2C10%29%3B%2Fq%3B%2B2%2Fp-2, 4.0, 17.0, 1.12999999523163, 9.0, , , 0.0, 3.0, 0.0500000007450581, 0.0, , 0.0, , 2.0, 0.0, 10.0
-InChI%3D1S%2FC18H16N2O7S2.2Na%2Fc1-10-7-11%282%2916%2828%2822%2C23%2924%298-14%2810%2919-20-15-9-17%2829%2825%2C26%2927%2912-5-3-4-6-13%2812%2918%2815%2921%3B%3B%2Fh3-9%2C21H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb20-19%2B%3B%3B, 27.0, 45.0, 2.00999999046326, 31.0, , , 16.0, 4.0, 2.83100008964539, 0.0, , 1.0, , 0.0, 17.0, 3.0
-InChI%3D1S%2FC15H10O7%2Fc16-7-4-10%2819%2912-11%285-7%2922-15%2814%2821%2913%2812%2920%296-1-2-8%2817%299%2818%293-6%2Fh1-5%2C16-19%2C21H, 11.0, 34.0, 2.33999991416931, 24.0, -2.92689990997314, , 12.0, 1.0, 0.0280000008642673, 0.0, 26.5088005065918, 5.0, 8.56674385070801, 0.0, 12.0, 0.0
-InChI%3D1S%2FC8H8N2O2%2Fc1-10%289-12%298%2811%297-5-3-2-4-6-7%2Fh2-6H%2C1H3, 11.0, 20.0, 1.89999997615814, 12.0, -0.135000005364418, , 6.0, 3.0, 2.46199989318848, 0.0, 19.2952995300293, 0.0, 0.0182249993085861, 0.0, 6.0, 6.0
-InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3, 3.0, 26.0, 1.89999997615814, 12.0, -0.0710000023245811, , 0.0, 2.0, 1.24000000953674, 0.0, 38.7957992553711, 0.0, 0.00504099996760488, 0.0, 0.0, 4.0
-InChI%3D1S%2FC14H14ClN3O2S%2Fc1-8-4-3-5-10%289%288%292%2916-12-6-11%2815%2917-14%2818-12%2921-7-13%2819%2920%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C16%2C17%2C18%29, 9.0, 39.0, 2.23000001907349, 22.0, 1.95510005950928, , 6.0, 4.0, 2.97399997711182, 0.0, 59.7943992614746, 3.0, 3.82241606712341, 2.0, 6.0, 5.0
-InChI%3D1S%2FC9H14O%2Fc1-7-4-8%2810%296-9%282%2C3%295-7%2Fh4H%2C5-6H2%2C1-3H3, 4.0, 24.0, 2.33999991416931, 10.0, 1.94889998435974, , 0.0, 0.0, 1.98199999332428, 0.0, 42.6464004516602, 0.0, 3.79821109771729, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H6O3%2Fc8-5-1-2-6-7%283-5%2910-4-9-6%2Fh1-3%2C8H%2C4H2, 9.0, 16.0, 1.89999997615814, 11.0, -0.763000011444092, , 6.0, 0.0, 0.871999979019165, 0.0, 10.0367002487183, 1.0, 0.582168996334076, 0.0, 6.0, 0.0
-InChI%3D1S%2FC7H15N3O%2Fc1-6-4-10%288-11%295-7%282%299%286%293%2Fh6-7H%2C4-5H2%2C1-3H3, 3.0, 26.0, 1.78999996185303, 11.0, 0.0266999993473291, , 0.0, 1.0, 0.517000019550323, 0.0, 45.269401550293, 0.0, 0.000712890003342181, 0.0, 0.0, 2.0
-InChI%3D1S%2FC7H7NO3%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3, 10.0, 18.0, 1.78999996185303, 11.0, -0.0983999967575073, , 6.0, 2.0, 2.23900008201599, 0.0, 10.2016000747681, 0.0, 0.00968256033957005, 0.0, 6.0, 2.0
-InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299, 6.0, 12.0, 1.46000003814697, 12.0, 4.4657998085022, , 6.0, 0.0, 3.37199997901917, 0.0, 33.6935997009277, 0.0, 19.9433689117432, 0.0, 6.0, 0.0
-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, 14.0, 26.0, 2.45000004768372, 16.0, 0.235200002789497, , 10.0, 2.0, 4.6729998588562, 0.0, 15.2441997528076, 1.0, 0.0553190410137177, 0.0, 11.0, 5.0
-InChI%3D1S%2FC5H11Cl2NO%2Fc1-8%289%2C4-2-6%295-3-7%2Fh2-5H2%2C1H3, 1.0, 20.0, 1.57000005245209, 8.0, 0.829299986362457, , 0.0, 4.0, 0.703000009059906, 0.0, 36.5657997131348, 0.0, 0.687738478183746, 2.0, 0.0, 9.0
-InChI%3D1S%2FC14H19Cl2NO2%2Fc15-8-10-17%2811-9-16%2913-6-4-12%285-7-13%292-1-3-14%2818%2919%2Fh4-7H%2C1-3%2C8-11H2%2C%28H%2C18%2C19%29, 7.0, 38.0, 2.45000004768372, 19.0, 1.11759996414185, , 6.0, 9.0, 4.29199981689453, 0.0, 52.5234985351562, 1.0, 1.24902975559235, 4.0, 6.0, 7.0
-InChI%3D1S%2FC4H6N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-2H%2C3-4H2, 4.0, 14.0, 1.46000003814697, 8.0, 0.223100006580353, , 0.0, 1.0, 0.449000000953674, 0.0, 30.0191993713379, 0.0, 0.0497736111283302, 0.0, 0.0, 1.0
-InChI%3D1S%2FC15H10F3NO%2Fc16-15%2817%2C18%2914%2820%2919-11-5-6-13-10%288-11%297-9-3-1-2-4-12%289%2913%2Fh1-6%2C8H%2C7H2%2C%28H%2C19%2C20%29, 15.0, 30.0, 2.55999994277954, 22.0, 0.91949999332428, , 12.0, 3.0, 5.91900014877319, 1.0, 18.4771003723145, 1.0, 0.845480263233185, 2.0, 12.0, 7.0
-InChI%3D1S%2FC24H31FO6%2Fc1-20%282%2930-19-10-16-15-6-5-13-9-14%2827%297-8-21%2813%2C3%2923%2815%2C25%2917%2828%2911-22%2816%2C4%2924%2819%2C31-20%2918%2829%2912-26%2Fh7-9%2C15-17%2C19%2C26%2C28H%2C5-6%2C10-12H2%2C1-4H3%2Ft15-%2C16-%2C17-%2C19%2B%2C21-%2C22-%2C23%3F%2C24%3F%2Fm0%2Fs1, 6.0, 62.0, 3.32999992370605, 35.0, -0.659900009632111, , 0.0, 2.0, 1.22399997711182, 0.0, 110.515899658203, 2.0, 0.435468018054962, 2.0, 0.0, 4.0
-InChI%3D1S%2FC21H27N5O2S.3ClH%2Fc1-15-4-5-16%2811-23-15%2910-17-12-24-21%2825-20%2817%2927%2922-8-9-29-14-19-7-6-18%2828-19%2913-26%282%293%3B%3B%3B%2Fh4-7%2C11-12H%2C8-10%2C13-14H2%2C1-3H3%2C%28H2%2C22%2C24%2C25%2C27%29%3B3%2A1H, 6.0, 66.0, 2.55999994277954, 31.0, 0.145099997520447, , 11.0, 9.0, 4.61899995803833, 0.0, 77.3098983764648, 3.0, 0.0210540108382702, 2.0, 11.0, 5.0
-InChI%3D1S%2FC14H8O5%2Fc15-8-5-9%2816%2914%2819%2911-10%288%2912%2817%296-3-1-2-4-7%286%2913%2811%2918%2Fh1-5%2C15-16%2C19H, 19.0, 27.0, 2.45000004768372, 21.0, -1.90849995613098, , 12.0, 0.0, 1.19200003147125, 0.0, 18.385799407959, 3.0, 3.64237213134766, 0.0, 12.0, 0.0
-InChI%3D1S%2FC17H12O6%2Fc1-20-10-6-11-14%288-4-5-21-17%288%2922-11%2915-13%2810%297-2-3-9%2818%2912%287%2916%2819%2923-15%2Fh4-6%2C8%2C17H%2C2-3H2%2C1H3, 11.0, 37.0, 2.67000007629395, 27.0, -0.830600023269653, , 6.0, 1.0, 0.700999975204468, 0.0, 53.9277992248535, 0.0, 0.68989634513855, 0.0, 6.0, 2.0
-InChI%3D1S%2FC12H14O4%2Fc1-2-9%2813-5-11-7-15-11%294-10%283-1%2914-6-12-8-16-12%2Fh1-4%2C11-12H%2C5-8H2, 8.0, 30.0, 2.33999991416931, 18.0, -0.670799970626831, , 6.0, 6.0, 1.182000041008, 0.0, 32.1209983825684, 0.0, 0.449972629547119, 0.0, 6.0, 2.0
-InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H, 6.0, 12.0, 2.00999999046326, 7.0, 0.744300007820129, , 6.0, 0.0, 3.1029999256134, 0.0, 5.61560010910034, 0.0, 0.553982496261597, 0.0, 6.0, 0.0
-InChI%3D1S%2FC12H8O4%2Fc1-14-12-10-8%284-5-15-10%296-7-2-3-9%2813%2916-11%287%2912%2Fh2-6H%2C1H3, 11.0, 26.0, 2.33999991416931, 18.0, -0.199799999594688, , 6.0, 1.0, 1.43499994277954, 0.0, 24.6411991119385, 0.0, 0.0399200394749641, 0.0, 10.0, 2.0
-InChI%3D1S%2FC9H6N2O2%2Fc12-11%2813%298-5-1-3-7-4-2-6-10-9%287%298%2Fh1-6H, 13.0, 19.0, 2.00999999046326, 14.0, -0.0465999990701675, , 10.0, 1.0, 2.7039999961853, 0.0, 2.88579988479614, 0.0, 0.00217155995778739, 0.0, 11.0, 3.0
-InChI%3D1S%2FC9H15Br6O4P%2Fc10-1-7%2813%294-17-20%2816%2C18-5-8%2814%292-11%2919-6-9%2815%293-12%2Fh7-9H%2C1-6H2, 5.0, 35.0, 1.24000000953674, 19.0, 5.15250015258789, , 0.0, 12.0, 5.55000019073486, 2.0, 101.070198059082, 0.0, 26.5482559204102, 3.0, 0.0, 20.0
-InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2, 8.0, 16.0, 2.33999991416931, 8.0, 0.707499980926514, , 6.0, 1.0, 4.9539999961853, 0.0, 10.1471996307373, 0.0, 0.500556230545044, 2.0, 6.0, 2.0
-InChI%3D1S%2FC32H40BrN5O5.CH4O3S%2Fc1-16%282%2912-24-29%2840%2937-11-7-10-25%2837%2932%2842%2938%2824%2930%2841%2931%2843-32%2C17%283%294%2935-28%2839%2918-13-20-19-8-6-9-22-26%2819%2921%2827%2833%2934-22%2914-23%2820%2936%285%2915-18%3B1-5%282%2C3%294%2Fh6%2C8-9%2C13%2C16-18%2C23-25%2C34%2C42H%2C7%2C10-12%2C14-15H2%2C1-5H3%2C%28H%2C35%2C39%29%3B1H3%2C%28H%2C2%2C3%2C4%29%2Ft18-%2C23-%2C24%2B%2C25%2B%2C31-%2C32%2B%3B%2Fm1.%2Fs1, 9.0, 91.0, 3.44000005722046, 53.0, 0.0458999983966351, , 6.0, 5.0, , , 142.875106811523, 3.0, 0.0021068099886179, 3.0, 10.0, 5.0
-InChI%3D1S%2FC21H16%2Fc1-13-6-7-15-12-20-17-5-3-2-4-14%2817%298-9-18%2820%2919-11-10-16%2813%2921%2815%2919%2Fh2-9%2C12H%2C10-11H2%2C1H3, 18.0, 37.0, 3.76999998092651, 25.0, 0.766799986362457, , 18.0, 0.0, 10.3190002441406, 1.0, 15.2328996658325, 0.0, 0.58798223733902, 0.0, 21.0, 0.0
-InChI%3D1S%2FC14H14N2.ClH%2Fc1-2-16-13-6-4-3-5-11%2813%2912-9-10%2815%297-8-14%2812%2916%3B%2Fh3-9H%2C2%2C15H2%2C1H3%3B1H, 14.0, 32.0, 2.67000007629395, 18.0, -0.38400000333786, , 12.0, 1.0, 4.01100015640259, 0.0, 17.1105995178223, 1.0, 0.147456005215645, 2.0, 15.0, 2.0
-InChI%3D1S%2FC10H10O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh2%2C4-6H%2C1%2C3%2C7H2, 8.0, 22.0, 2.33999991416931, 13.0, 0.726000010967255, , 6.0, 2.0, 2.9300000667572, 0.0, 22.3738994598389, 0.0, 0.527076005935669, 3.0, 6.0, 3.0
-InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2, 14.0, 25.0, 2.45000004768372, 16.0, -0.159700006246567, , 12.0, 2.0, 3.75, 0.0, 11.4568004608154, 1.0, 0.0255040898919106, 0.0, 12.0, 0.0
-InChI%3D1S%2FC8H18N2O2%2Fc1-2-3-6-10%289-12%297-4-5-8-11%2Fh11H%2C2-8H2%2C1H3, 3.0, 30.0, 1.89999997615814, 11.0, -1.63999998569489, , 0.0, 8.0, 1.08200001716614, 0.0, 42.9034004211426, 1.0, 2.68959999084473, 4.0, 0.0, 12.0
-InChI%3D1S%2FC12H10O.Na%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%3B%2Fh1-9%2C13H%3B%2Fq%3B%2B1%2Fp-1, 13.0, 23.0, 2.55999994277954, 14.0, , , 12.0, 1.0, 5.06300020217896, 1.0, , 0.0, , 0.0, 12.0, 0.0
-InChI%3D1S%2FC2Cl2%2Fc3-1-2-4, 2.0, 4.0, 1.46000003814697, 3.0, 0.971199989318848, , 0.0, 0.0, 1.98599994182587, 0.0, 20.1837997436523, 0.0, 0.94322943687439, 2.0, 0.0, 4.0
-InChI%3D1S%2FC5H7N3OS%2Fc1-4-2-10-5%287-4%298-6-3-9%2Fh2-3H%2C1H3%2C%28H%2C6%2C9%29%28H%2C7%2C8%29, 9.0, 17.0, 1.46000003814697, 10.0, 0.459199994802475, , 5.0, 2.0, 1.99699997901917, 0.0, 26.6548004150391, 3.0, 0.210864633321762, 0.0, 5.0, 4.0
-InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H, 13.0, 23.0, 2.67000007629395, 14.0, -0.460299998521805, , 12.0, 1.0, 5.06300020217896, 1.0, 2.56459999084473, 1.0, 0.211876094341278, 0.0, 12.0, 0.0
-InChI%3D1S%2FC7H5NO3S.Na%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%3B%2Fh1-4H%2C%28H%2C8%2C9%29%3B%2Fq%3B%2B1%2Fp-1, 12.0, 17.0, 1.57000005245209, 13.0, , , 6.0, 0.0, 1.26800000667572, 0.0, , 0.0, , 0.0, 6.0, 0.0
-InChI%3D1S%2FC9H12N2O%2Fc1-11%2810-12%298-7-9-5-3-2-4-6-9%2Fh2-6H%2C7-8H2%2C1H3, 6.0, 24.0, 2.11999988555908, 12.0, 0.255699992179871, , 6.0, 4.0, 3.41300010681152, 0.0, 23.5177993774414, 0.0, 0.0653824880719185, 2.0, 6.0, 6.0
-InChI%3D1S%2FC12H24N2O%2Fc15-13-14-11-9-7-5-3-1-2-4-6-8-10-12-14%2Fh1-12H2, 3.0, 39.0, 2.45000004768372, 15.0, -2.97059988975525, , 0.0, 1.0, 4.59000015258789, 0.0, 47.1974983215332, 0.0, 8.82446479797363, 0.0, 0.0, 2.0
-InChI%3D1S%2FC12H11N.ClH%2Fc13-12-8-6-11%287-9-12%2910-4-2-1-3-5-10%3B%2Fh1-9H%2C13H2%3B1H, 13.0, 26.0, 2.55999994277954, 14.0, -0.749899983406067, , 12.0, 1.0, 5.7189998626709, 1.0, 4.22209978103638, 1.0, 0.562350034713745, 0.0, 12.0, 0.0
-InChI%3D1S%2FC14H16N2O2.2ClH%2Fc1-17-13-7-9%283-5-11%2813%2915%2910-4-6-12%2816%2914%288-10%2918-2%3B%3B%2Fh3-8H%2C15-16H2%2C1-2H3%3B2%2A1H, 16.0, 38.0, 2.33999991416931, 19.0, -1.60339999198914, , 12.0, 3.0, 2.83599996566772, 0.0, 23.0757999420166, 2.0, 2.57089161872864, 0.0, 12.0, 2.0
-InChI%3D1S%2FC19H29N5O2%2Fc1-23-19%2821-18%2815-25%2922-23%2920-9-6-12-26-17-8-5-7-16%2813-17%2914-24-10-3-2-4-11-24%2Fh5%2C7-8%2C13%2C25H%2C2-4%2C6%2C9-12%2C14-15H2%2C1H3%2C%28H%2C20%2C21%2C22%29, 7.0, 57.0, 2.77999997138977, 28.0, -2.56319999694824, , 6.0, 8.0, 2.18799996376038, 0.0, 70.1884002685547, 3.0, 6.56999444961548, 3.0, 6.0, 5.0
-InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3, 7.0, 23.0, 2.33999991416931, 10.0, 1.17610001564026, , 6.0, 0.0, 2.73499989509583, 0.0, 20.7283992767334, 1.0, 1.38321125507355, 0.0, 6.0, 0.0
-InChI%3D1S%2FC7H14N4O4%2Fc1-11%2810-15%297%2814%299-4-2-3-5%288%296%2812%2913%2Fh5H%2C2-4%2C8H2%2C1H3%2C%28H%2C9%2C14%29%28H%2C12%2C13%29%2Ft5-%2Fm0%2Fs1, 6.0, 29.0, 1.35000002384186, 14.0, -1.51010000705719, , 0.0, 7.0, -3.08800005912781, 0.0, 47.9440994262695, 3.0, 2.28040194511414, 5.0, 0.0, 15.0
-InChI%3D1S%2FC7H7FN2O%2Fc1-10%289-11%297-4-2-6%288%293-5-7%2Fh2-5H%2C1H3, 9.0, 18.0, 1.78999996185303, 11.0, 0.468199998140335, , 6.0, 2.0, 2.01600003242493, 0.0, 15.226300239563, 0.0, 0.219211235642433, 0.0, 6.0, 4.0
-InChI%3D1S%2FC5H10N2O3%2Fc1-3-7%286-9%295%288%2910-4-2%2Fh3-4H2%2C1-2H3, 6.0, 20.0, 1.46000003814697, 9.0, 1.01890003681183, , 0.0, 5.0, 0.732999980449677, 0.0, 34.9309005737305, 0.0, 1.03815722465515, 2.0, 0.0, 10.0
-InChI%3D1S%2FC2H5N3O2%2Fc1-5%284-7%292%283%296%2Fh1H3%2C%28H2%2C3%2C6%29, 6.0, 12.0, 1.12999999523163, 6.0, 0.425300002098083, , 0.0, 2.0, -0.149000003933907, 0.0, 22.8313007354736, 2.0, 0.180880084633827, 0.0, 0.0, 7.0
-InChI%3D1S%2FC15H15N3O2%2Fc1-10-3-8-15%2820%2914%289-10%2918-17-13-6-4-12%285-7-13%2916-11%282%2919%2Fh3-9%2C20H%2C1-2H3%2C%28H%2C16%2C19%29%2Fb18-17%2B, 18.0, 35.0, 2.55999994277954, 21.0, 0.109999999403954, , 12.0, 3.0, 4.87099981307983, 0.0, 21.9675006866455, 2.0, 0.0120999999344349, 2.0, 12.0, 4.0
-InChI%3D1S%2FC4H10O3%2Fc5-1-3-7-4-2-6%2Fh5-6H%2C1-4H2, 0.0, 17.0, 1.57000005245209, 6.0, -1.02830004692078, , 0.0, 4.0, -1.39800000190735, 0.0, 25.5970993041992, 2.0, 1.05740094184875, 2.0, 0.0, 7.0
-InChI%3D1S%2FC11H11N5.ClH%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%3B%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29%3B1H%2Fb16-15%2B%3B, 8.0, 33.0, 2.00999999046326, 17.0, -1.50999999046326, , 6.0, 2.0, 3.54699993133545, 0.0, 26.8635005950928, 3.0, 2.28010010719299, 0.0, 6.0, 2.0
-InChI%3D1S%2FC4H6N2S%2Fc1-6-3-2-5-4%286%297%2Fh2-3H%2C1H3%2C%28H%2C5%2C7%29, 0.0, 13.0, 1.57000005245209, 7.0, 0.626500010490417, , 0.0, 0.0, 0.552999973297119, 0.0, 17.2863006591797, 1.0, 0.392502248287201, 0.0, 5.0, 0.0
-InChI%3D1S%2FH4N2%2Fc1-2%2Fh1-2H2, 2.0, 6.0, 1.24000000953674, 1.0, -1.19099998474121, , 0.0, 0.0, -2.16400003433228, 0.0, 10.5682001113892, 2.0, 1.4184809923172, 0.0, 0.0, 1.0
-InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296, 2.0, 6.0, 1.24000000953674, 5.0, 1.28159999847412, , 0.0, 0.0, 1.182000041008, 0.0, 12.4054002761841, 0.0, 1.64249861240387, 2.0, 0.0, 6.0
-InChI%3D1S%2FC14H15N3%2Fc1-17%282%2914-10-8-13%289-11-14%2916-15-12-6-4-3-5-7-12%2Fh3-11H%2C1-2H3%2Fb16-15%2B, 15.0, 32.0, 2.67000007629395, 18.0, 0.217800006270409, , 12.0, 3.0, 5.48799991607666, 1.0, 14.2913999557495, 0.0, 0.0474368408322334, 0.0, 12.0, 3.0
-InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3, 7.0, 20.0, 2.23000001907349, 9.0, 0.217800006270409, , 6.0, 1.0, 2.60599994659424, 0.0, 14.2913999557495, 0.0, 0.0474368408322334, 0.0, 6.0, 3.0
-InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, 7.0, 13.0, 1.67999994754791, 10.0, 1.77260005474091, , 6.0, 0.0, 2.12100005149841, 0.0, 19.4113998413086, 1.0, 3.14211082458496, 0.0, 6.0, 0.0
-InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2, 8.0, 23.0, 2.23000001907349, 14.0, -0.105899997055531, , 6.0, 2.0, 1.53299999237061, 0.0, 23.5818004608154, 1.0, 0.011214810423553, 3.0, 6.0, 4.0
-InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, 7.0, 27.0, 2.45000004768372, 16.0, -0.909200012683868, , 12.0, 2.0, 2.95499992370605, 0.0, 16.237699508667, 2.0, 0.826644659042358, 0.0, 12.0, 0.0
-InChI%3D1S%2FC4H7N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2H%2C1%2C3H2%2C%28H2%2C5%2C8%29, 6.0, 16.0, 1.35000002384186, 8.0, 1.04209995269775, , 0.0, 4.0, 0.465999990701675, 0.0, 31.9939994812012, 2.0, 1.08597242832184, 3.0, 0.0, 9.0
-InChI%3D1S%2FC4H7F3N2O%2Fc1-2-9%288-10%293-4%285%2C6%297%2Fh2-3H2%2C1H3, 3.0, 17.0, 1.24000000953674, 9.0, 1.34860002994537, , 0.0, 4.0, 1.57299995422363, 0.0, 29.7943992614746, 0.0, 1.81872200965881, 2.0, 0.0, 10.0
-InChI%3D1S%2FC9H13N.ClH%2Fc1-6-4-8%283%299%2810%295-7%286%292%3B%2Fh4-5H%2C10H2%2C1-3H3%3B1H, 7.0, 25.0, 2.23000001907349, 10.0, 1.17610001564026, , 6.0, 0.0, 3.24699997901917, 0.0, 20.7283992767334, 1.0, 1.38321125507355, 0.0, 6.0, 0.0
-InChI%3D1S%2FC9H10O2%2Fc1-2-4-8%285-3-1%2910-6-9-7-11-9%2Fh1-5%2C9H%2C6-7H2, 7.0, 21.0, 2.23000001907349, 12.0, -0.335399985313416, , 6.0, 3.0, 2.20000004768372, 0.0, 16.0604991912842, 0.0, 0.11249315738678, 0.0, 6.0, 2.0
-InChI%3D1S%2FC13H11NO2%2Fc1-15-13-6-9-8-4-2-3-5-11%288%2916-12%289%297-10%2813%2914%2Fh2-7H%2C14H2%2C1H3, 15.0, 27.0, 2.55999994277954, 18.0, -0.955799996852875, , 12.0, 1.0, 2.58899998664856, 0.0, 13.1569995880127, 1.0, 0.913553655147552, 0.0, 15.0, 2.0
-InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3, 3.0, 11.0, 1.35000002384186, 4.0, 0.0908000022172928, , 0.0, 1.0, -0.275000005960464, 0.0, 20.050500869751, 0.0, 0.0082446401938796, 0.0, 0.0, 5.0
-InChI%3D1S%2FC18H18Cl2N2O3%2Fc1-24-15-7-6-11%288-16%2815%2925-12-4-2-3-5-12%2918%2823%2922-17-13%2819%299-21-10-14%2817%2920%2Fh6-10%2C12H%2C2-5H2%2C1H3%2C%28H%2C21%2C22%2C23%29, 12.0, 47.0, 2.67000007629395, 27.0, -1.50639998912811, , 6.0, 5.0, 2.60500001907349, 0.0, 65.9250030517578, 1.0, 2.26924085617065, 0.0, 6.0, 3.0
-InChI%3D1S%2FC14H19N3S.ClH%2Fc1-16%282%299-10-17%2812-13-6-5-11-18-13%2914-7-3-4-8-15-14%3B%2Fh3-8%2C11H%2C9-10%2C12H2%2C1-2H3%3B1H, 7.0, 39.0, 2.45000004768372, 19.0, 0.856400012969971, , 11.0, 6.0, 3.46199989318848, 0.0, 39.119499206543, 0.0, 0.733420968055725, 2.0, 11.0, 7.0
-InChI%3D1S%2FC21H27NO7%2Fc1-6-15-11-13%282%2920%284%2C29-14%283%2923%2919%2825%2927-12-16-7-9-22%285%2910-8-17%2821%2816%2C22%2926%2928-18%2815%2924%2Fh6-7%2C11%2C13%2C17H%2C1%2C8-10%2C12H2%2C2-5H3%2Fb15-11%2B%2Ft13-%2C17%2B%2C20-%2C21%3F%2C22%3F%2Fm0%2Fs1, 7.0, 56.0, 2.89000010490417, 31.0, -1.14279997348785, , 0.0, 3.0, 0.328000009059906, 0.0, 97.6578979492188, 0.0, 1.30599188804626, 2.0, 0.0, 4.0
-InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295, 0.0, 5.0, 1.12999999523163, 4.0, 3.58459997177124, , 0.0, 0.0, 2.86400008201599, 0.0, 26.8490009307861, 0.0, 12.8493576049805, 0.0, 0.0, 5.0
-InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29, 4.0, 13.0, 1.46000003814697, 5.0, 0.821900010108948, , 0.0, 2.0, 0.920000016689301, 0.0, 19.8181991577148, 2.0, 0.675519585609436, 2.0, 0.0, 6.0
-InChI%3D1S%2FC7H8N2O%2Fc1-9%288-10%297-5-3-2-4-6-7%2Fh2-6H%2C1H3, 9.0, 18.0, 1.89999997615814, 10.0, -0.0115000000223517, , 6.0, 2.0, 2.26799988746643, 0.0, 14.3537998199463, 0.0, 0.000132250002934597, 0.0, 6.0, 4.0
-InChI%3D1S%2FC21H28O5%2Fc1-19-7-5-13%2823%299-12%2819%293-4-14-15-6-8-21%2826%2C17%2825%2911-22%2920%2815%2C2%2910-16%2824%2918%2814%2919%2Fh5%2C7%2C9%2C14-16%2C18%2C22%2C24%2C26H%2C3-4%2C6%2C8%2C10-11H2%2C1-2H3%2Ft14%3F%2C15-%2C16-%2C18%2B%2C19-%2C20%3F%2C21-%2Fm0%2Fs1, 6.0, 54.0, 3.22000002861023, 29.0, -0.857699990272522, , 0.0, 2.0, 1.02100002765656, 0.0, 97.1956024169922, 3.0, 0.735649287700653, 2.0, 0.0, 4.0
-InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3, 8.0, 17.0, 2.00999999046326, 9.0, -0.512099981307983, , 6.0, 1.0, 1.38900005817413, 0.0, 9.88039970397949, 1.0, 0.262246400117874, 0.0, 6.0, 2.0
-InChI%3D1S%2FC10H9N3O3%2Fc1-6-5-7%282%2912-10%2811-6%298-3-4-9%2816-8%2913%2814%2915%2Fh3-5H%2C1-2H3, 14.0, 25.0, 1.89999997615814, 17.0, 0.678300023078918, , 11.0, 2.0, 2.51799988746643, 0.0, 15.9699001312256, 0.0, 0.46009087562561, 0.0, 11.0, 2.0
-InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3, 8.0, 17.0, 1.46000003814697, 10.0, 0.120200000703335, , 5.0, 1.0, 0.726000010967255, 0.0, 17.3791999816895, 1.0, 0.0144480401650071, 0.0, 5.0, 2.0
-InChI%3D1S%2FC14H13N3O2S%2Fc1-19-13-7-9%2820%282%2918%293-4-10%2813%2914-16-11-5-6-15-8-12%2811%2917-14%2Fh3-8H%2C1-2H3%2C%28H%2C16%2C17%29, 9.0, 32.0, 2.33999991416931, 22.0, -0.470699995756149, , 12.0, 3.0, 0.686999976634979, 0.0, 22.1777000427246, 2.0, 0.22155849635601, 0.0, 16.0, 2.0
-InChI%3D1S%2FC15H11NO2%2Fc1-8-6-7-11-12%2813%288%2916%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C16H2%2C1H3, 17.0, 29.0, 2.77999997138977, 20.0, -0.635500013828278, , 12.0, 0.0, 2.73399996757507, 0.0, 20.4162006378174, 1.0, 0.403860241174698, 0.0, 12.0, 0.0
-InChI%3D1S%2FC3H8N2O%2Fc1-3-5%286%294-2%2Fh3H2%2C1-2H3, 3.0, 14.0, 1.46000003814697, 5.0, -0.640100002288818, , 0.0, 1.0, -0.0230000000447035, 0.0, 19.1630992889404, 0.0, 0.409728020429611, 2.0, 0.0, 6.0
-InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H, 6.0, 12.0, 1.89999997615814, 8.0, 1.48860001564026, , 6.0, 0.0, 2.98799991607666, 0.0, 11.2312002182007, 0.0, 2.21592998504639, 0.0, 6.0, 0.0
-InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3, 0.0, 8.0, 1.57000005245209, 2.0, 1.24150002002716, , 0.0, 0.0, 1.73599994182587, 0.0, 18.589599609375, 0.0, 1.54132223129272, 2.0, 0.0, 3.0
-InChI%3D1S%2FC13H17N3O2%2Fc1-10-8-15%2814-18%299-11%282%2916%2810%2913%2817%2912-6-4-3-5-7-12%2Fh3-7%2C10-11H%2C8-9H2%2C1-2H3, 9.0, 35.0, 2.33999991416931, 19.0, -0.723599970340729, , 6.0, 3.0, 3.05200004577637, 0.0, 44.1161994934082, 0.0, 0.523596942424774, 0.0, 6.0, 2.0
-InChI%3D1S%2FCd.H2O4S%2Fc%3B1-5%282%2C3%294%2Fh%3B%28H2%2C1%2C2%2C3%2C4%29%2Fq%2B2%3B%2Fp-2, 5.0, 6.0, 0.800000011920929, 4.0, , , 0.0, 0.0, -1.76400005817413, 0.0, , 0.0, , 0.0, 0.0, 5.0
-InChI%3D1S%2FC9H8N4O2S%2Fc10-12-9-11-8%285-16-9%296-1-3-7%284-2-6%2913%2814%2915%2Fh1-5H%2C10H2%2C%28H%2C11%2C12%29, 16.0, 24.0, 1.67999994754791, 17.0, -0.47189998626709, , 11.0, 3.0, 2.20499992370605, 0.0, 19.2633991241455, 3.0, 0.222689613699913, 0.0, 11.0, 2.0
-InChI%3D1S%2F2Cr.2Na.7H2O%2Fh%3B%3B%3B%3B7%2A1H2%2Fq%3B%3B2%2A%2B1%3B%3B%3B%3B%3B%3B%3B%2Fp-2, 0.0, 23.0, 0.25, 0.0, , , 0.0, 0.0, -3.26900005340576, 0.0, , 5.0, , 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H6%2Fc1-3-4-2%2Fh3-4H%2C1-2H2, 4.0, 10.0, 1.89999997615814, 3.0, 1.41499996185303, , 0.0, 1.0, 1.9559999704361, 0.0, 20.2943992614746, 0.0, 2.00222492218018, 4.0, 0.0, 4.0
-InChI%3D1S%2FC17H23N3O.C4H4O4%2Fc1-19%282%2912-13-20%2817-6-4-5-11-18-17%2914-15-7-9-16%2821-3%2910-8-15%3B5-3%286%291-2-4%287%298%2Fh4-11H%2C12-14H2%2C1-3H3%3B1-2H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29%2Fb%3B2-1-, 8.0, 56.0, 2.89000010490417, 29.0, -0.0111999996006489, , 12.0, 9.0, 2.76699995994568, 0.0, 63.2487983703613, 2.0, 0.000125439997646026, 4.0, 12.0, 8.0
-InChI%3D1S%2FC6H6ClN.ClH%2Fc7-5-1-3-6%288%294-2-5%3B%2Fh1-4H%2C8H2%3B1H, 7.0, 16.0, 1.78999996185303, 8.0, -0.00559999980032444, , 6.0, 0.0, 2.37400007247925, 0.0, 9.83769989013672, 1.0, 3.13599994115066e-05, 0.0, 6.0, 0.0
-InChI%3D1S%2FC12H2Cl6O2%2Fc13-3-1-5-11%289%2817%297%283%2915%2920-12-6%2819-5%292-4%2814%298%2816%2910%2812%2918%2Fh1-2H, 14.0, 22.0, 1.89999997615814, 22.0, 4.15759992599487, , 12.0, 0.0, 4.35200023651123, 0.0, 36.9318008422852, 0.0, 17.2856369018555, 0.0, 12.0, 0.0
-InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3, 3.0, 24.0, 2.11999988555908, 9.0, 1.23570001125336, , 0.0, 5.0, 2.18600010871887, 0.0, 39.9681015014648, 0.0, 1.52695453166962, 4.0, 0.0, 10.0
-InChI%3D1S%2FCH4N2O2%2Fc1-2-3%284%295%2Fh2H%2C1H3, 4.0, 9.0, 1.12999999523163, 4.0, -0.455599993467331, , 0.0, 1.0, 0.671999990940094, 0.0, 11.0825004577637, 1.0, 0.207571357488632, 0.0, 0.0, 5.0
-InChI%3D1S%2F2C2H4O2.4H2O.3Pb%2Fc2%2A1-2%283%294%3B%3B%3B%3B%3B%3B%3B%2Fh2%2A1H3%2C%28H%2C3%2C4%29%3B4%2A1H2%3B%3B%3B%2Fq%3B%3B%3B%3B%3B%3B3%2A%2B2%2Fp-6, 3.0, 25.0, 0.689999997615814, 6.0, , , 0.0, 0.0, -2.99000000953674, 0.0, , 0.0, , 0.0, 0.0, 4.0
-InChI%3D1S%2FC8H8O%2Fc1-2-4-7%285-3-1%298-6-9-8%2Fh1-5%2C8H%2C6H2, 6.0, 17.0, 2.23000001907349, 10.0, -0.192900002002716, , 6.0, 1.0, 2.75500011444092, 0.0, 9.72920036315918, 0.0, 0.0372104085981846, 0.0, 6.0, 0.0
-InChI%3D1S%2FC12H19NO3%2Fc1-12%282%2C3%2913-7-11%2816%298-4-9%2814%296-10%2815%295-8%2Fh4-6%2C11%2C13-16H%2C7H2%2C1-3H3, 8.0, 35.0, 2.33999991416931, 16.0, -0.806500017642975, , 6.0, 4.0, 0.800999999046326, 0.0, 38.6044006347656, 4.0, 0.650442242622375, 2.0, 6.0, 8.0
-InChI%3D1S%2FC13H11NO5%2Fc1-2-14-5-8%2813%2816%2917%2912%2815%297-3-10-11%284-9%287%2914%2919-6-18-10%2Fh3-5H%2C2%2C6H2%2C1H3%2C%28H%2C16%2C17%29, 11.0, 32.0, 2.23000001907349, 21.0, -0.573499977588654, , 6.0, 2.0, 0.569999992847443, 0.0, 41.2597007751465, 1.0, 0.328902244567871, 2.0, 6.0, 2.0
-InChI%3D1S%2FC31H22N6O9S.Cu.2Na%2Fc38-26-12-9-21%2815-23%2826%2931%2842%2943%2934-32-19-5-1-17%282-6-19%2918-3-7-20%288-4-18%2933-37-29-28%2840%2914-11-24%2830%2829%2941%2935-36-25-16-22%2847%2844%2C45%2946%2910-13-27%2825%2939%3B%3B%3B%2Fh1-16%2C38-41H%2C%28H%2C42%2C43%29%28H%2C44%2C45%2C46%29%3B%3B%3B%2Fq%3B%2B2%3B2%2A%2B1%2Fp-4%2Fb34-32%3F%2C36-35%2B%2C37-33%3F%3B%3B%3B, 47.0, 68.0, 2.77999997138977, 51.0, , , 30.0, 9.0, 7.86100006103516, 2.0, , 2.0, , 0.0, 30.0, 3.0
-InChI%3D1S%2FC6H13N3O2%2Fc1-2-3-4-5-9%288-11%296%287%2910%2Fh2-5H2%2C1H3%2C%28H2%2C7%2C10%29, 6.0, 24.0, 1.57000005245209, 10.0, -0.478100001811981, , 0.0, 6.0, 1.76999998092651, 0.0, 36.4803009033203, 2.0, 0.228579610586166, 5.0, 0.0, 11.0
-InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298, 0.0, 8.0, 1.01999998092651, 7.0, 3.37639999389648, , 0.0, 1.0, 3.88199996948242, 0.0, 41.8779983520508, 0.0, 11.4000768661499, 2.0, 0.0, 8.0
-InChI%3D1S%2FC6H3N3O5%2Fc10-6-8-7-5%2814-6%293-1-2-4%2813-3%299%2811%2912%2Fh1-2H%2C%28H%2C8%2C10%29, 14.0, 17.0, 1.24000000953674, 15.0, -0.815100014209747, , 10.0, 2.0, 0.672999978065491, 0.0, 8.68859958648682, 1.0, 0.664388000965118, 0.0, 10.0, 2.0
-InChI%3D1S%2FC15H13NO2%2Fc1-10%2817%2916%2818%2913-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9%2C18H%2C8H2%2C1H3, 16.0, 31.0, 2.77999997138977, 20.0, -0.629000008106232, , 12.0, 2.0, 4.67600011825562, 0.0, 20.0314998626709, 1.0, 0.395640999078751, 2.0, 12.0, 5.0
-InChI%3D1S%2FC15H18N2%2Fc1-10-7-12%283-5-14%2810%2916%299-13-4-6-15%2817%2911%282%298-13%2Fh3-8H%2C9%2C16-17H2%2C1-2H3, 7.0, 35.0, 2.89000010490417, 18.0, 0.24040000140667, , 12.0, 2.0, 3.91499996185303, 0.0, 24.0494003295898, 2.0, 0.0577921606600285, 0.0, 12.0, 0.0
-InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H, 6.0, 11.0, 1.89999997615814, 6.0, 0.0, , 6.0, 0.0, 1.39999997615814, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0
-InChI%3D1S%2FC6H14N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh5-6%2C9-10H%2C3-4H2%2C1-2H3, 3.0, 25.0, 1.57000005245209, 10.0, -1.00940001010895, , 0.0, 5.0, -0.773000001907349, 0.0, 41.8039016723633, 2.0, 1.01888835430145, 3.0, 0.0, 11.0
-InChI%3D1S%2FC6H14N2O4%2Fc1-5%2810%292-8%287-12%293-6%2811%294-9%2Fh5-6%2C9-11H%2C2-4H2%2C1H3, 3.0, 26.0, 1.46000003814697, 11.0, -1.50940001010895, , 0.0, 6.0, -1.90499997138977, 0.0, 43.181999206543, 3.0, 2.2782883644104, 3.0, 0.0, 12.0
-InChI%3D1S%2FC7H10N2OS%2Fc1-2-3-5-4-6%2810%299-7%2811%298-5%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C8%2C9%2C10%2C11%29, 7.0, 21.0, 1.78999996185303, 11.0, 0.0696000009775162, , 6.0, 2.0, 1.85300004482269, 0.0, 24.5182991027832, 1.0, 0.00484415981918573, 3.0, 6.0, 3.0
-InChI%3D1S%2FC21H30O3%2Fc1-13%2822%2924-15-8-10-20%282%2914%2812-15%294-5-16-17-6-7-19%2823%2921%2817%2C3%2911-9-18%2816%2920%2Fh4%2C15-18H%2C5-12H2%2C1-3H3%2Ft15-%2C16%3F%2C17-%2C18-%2C20%3F%2C21%3F%2Fm0%2Fs1, 3.0, 54.0, 3.44000005722046, 27.0, 0.554099977016449, , 0.0, 2.0, 3.77500009536743, 0.0, 91.5783004760742, 0.0, 0.3070268034935, 2.0, 0.0, 4.0
-InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6-%2Fm1%2Fs1, 0.0, 24.0, 1.46000003814697, 11.0, -0.241999998688698, , 0.0, 5.0, -0.272000014781952, 0.0, 50.472599029541, 4.0, 0.0585639998316765, 6.0, 0.0, 12.0
-InChI%3D1S%2FC12H19N3O%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29, 9.0, 35.0, 2.33999991416931, 16.0, -1.30949997901917, , 6.0, 6.0, 2.76900005340576, 0.0, 39.6456985473633, 3.0, 1.71479022502899, 0.0, 6.0, 6.0
-InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3, 3.0, 29.0, 2.00999999046326, 10.0, -1.13999998569489, , 0.0, 7.0, 2.42499995231628, 0.0, 41.5252990722656, 0.0, 1.29960000514984, 4.0, 0.0, 11.0
-InChI%3D1S%2FC12H19N3O.ClH%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%3B%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29%3B1H, 9.0, 37.0, 2.23000001907349, 16.0, -1.30949997901917, , 6.0, 6.0, 3.28099989891052, 0.0, 39.6456985473633, 3.0, 1.71479022502899, 0.0, 6.0, 6.0
-InChI%3D1S%2FC4H6O2%2Fc1-3-2-4%285%296-3%2Fh3H%2C2H2%2C1H3, 3.0, 12.0, 1.67999994754791, 6.0, -0.0553999990224838, , 0.0, 0.0, 0.321000009775162, 0.0, 20.1375007629395, 0.0, 0.00306916004046798, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H8%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3, 6.0, 15.0, 2.23000001907349, 7.0, 0.642000019550323, , 6.0, 0.0, 4.38500022888184, 0.0, 5.50209999084473, 0.0, 0.412164002656937, 0.0, 6.0, 0.0
-InChI%3D1S%2FC9H8O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-4H%2C5-6H2, 9.0, 19.0, 2.23000001907349, 12.0, 0.00609999988228083, , 6.0, 0.0, 2.45099997520447, 0.0, 15.7062997817993, 0.0, 3.72100003005471e-05, 0.0, 6.0, 0.0
-InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H2, 4.0, 16.0, 1.46000003814697, 8.0, -0.820699989795685, , 0.0, 1.0, 0.564999997615814, 0.0, 25.5237998962402, 0.0, 0.673548519611359, 0.0, 0.0, 2.0
-InChI%3D1S%2FC15H18N4O5%2Fc1-5-9%2816%2912%2821%298-6%284-24-14%2817%2922%2915%2823-2%2913-7%2818-13%293-19%2815%2910%288%2911%285%2920%2Fh6-7%2C13%2C18H%2C3-4%2C16H2%2C1-2H3%2C%28H2%2C17%2C22%29%2Ft6-%2C7%2B%2C13%3F%2C15%3F%2Fm1%2Fs1, 10.0, 42.0, 2.11999988555908, 27.0, -1.33819997310638, , 0.0, 4.0, -0.252000004053116, 0.0, 81.9337005615234, 4.0, 1.79077923297882, 0.0, 0.0, 5.0
-InChI%3D1S%2FC9H14N8S3%2Fc10-6-7%2817-20-16-6%2913-1-2-18-3-5-4-19-9%2814-5%2915-8%2811%2912%2Fh4H%2C1-3H2%2C%28H2%2C10%2C16%29%28H%2C13%2C17%29%28H4%2C11%2C12%2C14%2C15%29, 9.0, 34.0, 1.24000000953674, 21.0, 0.166800007224083, , 10.0, 8.0, 0.998000025749207, 0.0, 56.238899230957, 8.0, 0.0278222393244505, 2.0, 10.0, 5.0
-InChI%3D1S%2FC5H8%2Fc1-4-5%282%293%2Fh4H%2C1-2H2%2C3H3, 4.0, 13.0, 2.00999999046326, 4.0, 1.8614000082016, , 0.0, 1.0, 2.34800004959106, 0.0, 24.5764007568359, 0.0, 3.46480989456177, 4.0, 0.0, 5.0
-InChI%3D1S%2FC10H16%2Fc1-8%282%2910-6-4-9%283%295-7-10%2Fh4%2C10H%2C1%2C5-7H2%2C2-3H3%2Ft10-%2Fm0%2Fs1, 2.0, 26.0, 2.55999994277954, 10.0, 2.14240002632141, , 0.0, 1.0, 3.72900009155273, 0.0, 46.0152015686035, 0.0, 4.58987760543823, 0.0, 0.0, 2.0
-InChI%3D1S%2FC12H4Br6%2Fc13-7-3-11%2817%299%2815%291-5%287%296-2-10%2816%2912%2818%294-8%286%2914%2Fh1-4H, 12.0, 22.0, 2.11999988555908, 19.0, 5.33279991149902, , 12.0, 1.0, 7.36399984359741, 1.0, 51.5946006774902, 0.0, 28.4387550354004, 0.0, 12.0, 0.0
-InChI%3D1S%2F2C8H16O2.Ca%2Fc2%2A1-3-5-7%286-4-2%298%289%2910%3B%2Fh2%2A7H%2C3-6H2%2C1-2H3%2C%28H%2C9%2C10%29%3B%2Fq%3B%3B%2B2%2Fp-2, 2.0, 51.0, 2.67000007629395, 18.0, , , 0.0, 10.0, 4.52199983596802, 0.0, , 0.0, , 7.0, 0.0, 10.0
-InChI%3D1S%2FC13H12F2N6O%2Fc14-10-1-2-11%2812%2815%293-10%2913%2822%2C4-20-8-16-6-18-20%295-21-9-17-7-19-21%2Fh1-3%2C6-9%2C22H%2C4-5H2, 6.0, 34.0, 1.89999997615814, 24.0, 0.263799995183945, , 6.0, 5.0, 0.767000019550323, 0.0, 21.8330001831055, 5.0, 0.0695904418826103, 3.0, 16.0, 4.0
-InChI%3D1S%2FC3H8N2O2%2Fc1-5%284-7%292-3-6%2Fh6H%2C2-3H2%2C1H3, 3.0, 15.0, 1.35000002384186, 6.0, -0.448599994182587, , 0.0, 3.0, -0.984000027179718, 0.0, 26.3428001403809, 1.0, 0.201241955161095, 2.0, 0.0, 7.0
-InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2, 5.0, 23.0, 1.57000005245209, 13.0, -0.761099994182587, , 0.0, 3.0, 0.759999990463257, 0.0, 50.7221984863281, 0.0, 0.579273223876953, 0.0, 0.0, 2.0
-InChI%3D1S%2FC14H7Br2NO2%2Fc15-8-5-9%2816%2912%2817%2911-10%288%2913%2818%296-3-1-2-4-7%286%2914%2811%2919%2Fh1-5H%2C17H2, 17.0, 26.0, 2.45000004768372, 21.0, 0.500100016593933, , 12.0, 0.0, 3.49000000953674, 0.0, 32.1123008728027, 1.0, 0.250100016593933, 0.0, 12.0, 0.0
-InChI%3D1S%2FC7H10N2O.H2O4S%2Fc1-10-7-3-2-5%288%294-6%287%299%3B1-5%282%2C3%294%2Fh2-4H%2C8-9H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29, 9.0, 27.0, 1.35000002384186, 14.0, -2.20939993858337, , 6.0, 1.0, , , 28.9571990966797, 4.0, 4.88144826889038, 0.0, 6.0, 5.0
-InChI%3D1S%2FH2SSe%2Fc1-2%2Fh2H2, 1.0, 2.0, 1.24000000953674, 1.0, 0.875800013542175, , 0.0, 0.0, -0.148000001907349, 0.0, 9.43379974365234, 0.0, 0.767025649547577, 0.0, 0.0, 1.0
-InChI%3D1S%2F2ClH.Hg%2Fh2%2A1H%3B%2Fq%3B%3B%2B2%2Fp-2, 0.0, 3.0, 1.12999999523163, 0.0, , , 0.0, 0.0, 1.02400004863739, 0.0, , 0.0, , 0.0, 0.0, 0.0
-InChI%3D1S%2FC39H59Cl2NO2%2Fc1-27%282%297-6-8-28%283%2934-15-16-35-33-14-11-30-26-32%2817-19-38%2830%2C4%2936%2833%2918-20-39%2834%2C35%295%2944-37%2843%2925-29-9-12-31%2813-10-29%2942%2823-21-40%2924-22-41%2Fh9-13%2C27-28%2C32-36H%2C6-8%2C14-26H2%2C1-5H3%2Ft28-%2C32%2B%2C33%3F%2C34-%2C35%2B%2C36%2B%2C38%3F%2C39%3F%2Fm1%2Fs1, 7.0, 103.0, 5.19999980926514, 48.0, 3.50699996948242, , 6.0, 14.0, 14.4919996261597, 2.0, 156.428894042969, 0.0, 12.2990493774414, 7.0, 6.0, 8.0
-InChI%3D1S%2FC3H7NO%2Fc1-3%282%294-5%2Fh5H%2C1-2H3, 3.0, 12.0, 1.57000005245209, 4.0, -0.202099993824959, , 0.0, 0.0, 0.428000003099442, 0.0, 19.729700088501, 1.0, 0.0408444106578827, 0.0, 0.0, 5.0
-InChI%3D1S%2FC2H3Cl2F%2Fc1-2%283%2C4%295%2Fh1H3, 0.0, 8.0, 1.35000002384186, 4.0, 1.83259999752045, , 0.0, 0.0, 2.33200001716614, 0.0, 21.3824996948242, 0.0, 3.35842275619507, 2.0, 0.0, 5.0
-InChI%3D1S%2FC9H8Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-2%2C5-6H%2C3-4H2, 5.0, 24.0, 1.67999994754791, 17.0, 3.23449993133545, , 0.0, 2.0, 2.26799988746643, 0.0, 68.1818008422852, 0.0, 10.4619903564453, 0.0, 0.0, 5.0
-InChI%3D1S%2FC16H14O6%2Fc17-10-2-1-8-13-9-4-12%2819%2911%2818%293-7%289%295-16%2813%2C21%296-22-15%288%2914%2810%2920%2Fh1-4%2C13%2C17-21H%2C5-6H2%2Ft13-%2C16%3F%2Fm0%2Fs1, 9.0, 36.0, 2.55999994277954, 25.0, -2.40919995307922, , 12.0, 0.0, 0.503000020980835, 0.0, 29.9361991882324, 5.0, 5.80424451828003, 0.0, 12.0, 0.0
-InChI%3D1S%2FC14H8O4%2Fc15-9-5-1-3-7-11%289%2914%2818%2912-8%2813%287%2917%294-2-6-10%2812%2916%2Fh1-6%2C15-16H, 18.0, 26.0, 2.55999994277954, 20.0, -1.4481999874115, , 12.0, 0.0, 1.30400002002716, 0.0, 15.8212003707886, 2.0, 2.09728312492371, 0.0, 12.0, 0.0
-InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3, 0.0, 15.0, 1.78999996185303, 4.0, 0.573300004005432, , 0.0, 0.0, 0.800999999046326, 0.0, 22.0650997161865, 1.0, 0.328672885894775, 3.0, 0.0, 5.0
-InChI%3D1S%2FC17H15NO2%2Fc1-11%2819%2918%2812%282%2920%2917-9-5-8-15-14-7-4-3-6-13%2814%2910-16%2815%2917%2Fh3-9H%2C10H2%2C1-2H3, 17.0, 35.0, 3.0, 22.0, -0.282299995422363, , 12.0, 3.0, 5.60099983215332, 1.0, 27.832799911499, 0.0, 0.0796932876110077, 2.0, 12.0, 7.0
-InChI%3D1S%2FC7H15N3O2%2Fc1-2-3-4-5-6-10%289-12%297%288%2911%2Fh2-6H2%2C1H3%2C%28H2%2C8%2C11%29, 6.0, 27.0, 1.67999994754791, 11.0, -0.766099989414215, , 0.0, 7.0, 2.33899998664856, 0.0, 39.3918991088867, 2.0, 0.586909234523773, 6.0, 0.0, 12.0
-InChI%3D1S%2FC6H14N2O%2Fc1-3-5-7-8%289%296-4-2%2Fh3-6H2%2C1-2H3, 3.0, 23.0, 1.78999996185303, 8.0, -1.43320000171661, , 0.0, 4.0, 0.949999988079071, 0.0, 30.6142997741699, 0.0, 2.05406212806702, 3.0, 0.0, 9.0
-InChI%3D1S%2FC17H22N2%2Fc1-18%282%2916-9-5-14%286-10-16%2913-15-7-11-17%2812-8-15%2919%283%294%2Fh5-12H%2C13H2%2C1-4H3, 7.0, 41.0, 3.10999989509583, 20.0, 0.891799986362457, , 12.0, 4.0, 4.94899988174438, 0.0, 33.1837997436523, 0.0, 0.795307219028473, 0.0, 12.0, 3.0
-InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918, 0.0, 22.0, 1.24000000953674, 26.0, 5.84999990463257, , 0.0, 0.0, 6.35799980163574, 1.0, 92.3588027954102, 0.0, 34.2224998474121, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H8N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-2H%2C3-5H2, 3.0, 16.0, 1.67999994754791, 8.0, 0.089199997484684, , 0.0, 1.0, 0.501999974250793, 0.0, 31.3117008209229, 0.0, 0.00795663986355066, 0.0, 0.0, 2.0
-InChI%3D1S%2FC11H17F3N6O%2Fc12-11%2813%2C14%297-17-10%2816%2918-9-4-6-20%2819-9%295-2-1-3-8%2815%2921%2Fh4%2C6H%2C1-3%2C5%2C7H2%2C%28H2%2C15%2C21%29%28H3%2C16%2C17%2C18%2C19%29, 7.0, 40.0, 1.57000005245209, 21.0, -0.522899985313416, , 0.0, 9.0, 1.34500002861023, 0.0, 64.0654983520508, 5.0, 0.273424416780472, 5.0, 0.0, 9.0
-InChI%3D1S%2FC6H12N2O%2Fc1-6-4-2-3-5-8%286%297-9%2Fh6H%2C2-5H2%2C1H3%2Ft6-%2Fm1%2Fs1, 3.0, 21.0, 1.78999996185303, 9.0, -0.965300023555756, , 0.0, 1.0, 1.27799999713898, 0.0, 31.4006996154785, 0.0, 0.931804060935974, 0.0, 0.0, 2.0
-InChI%3D1S%2FC8H12N2O3.Na%2Fc1-3-8%284-2%295%2811%299-7%2813%2910-6%288%2912%3B%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29%3B%2Fq%3B%2B1%2Fp-1, 8.0, 25.0, 1.67999994754791, 13.0, , , 0.0, 2.0, 1.42299997806549, 0.0, , 1.0, , 2.0, 0.0, 2.0
-InChI%3D1S%2FC3H8N2O%2Fc1-3-5%282%294-6%2Fh3H2%2C1-2H3, 3.0, 14.0, 1.46000003814697, 5.0, 0.341199994087219, , 0.0, 2.0, 0.148000001907349, 0.0, 24.3442993164062, 0.0, 0.116417437791824, 0.0, 0.0, 6.0
-InChI%3D1S%2FC27H50O6%2Fc1-4-7-10-13-16-19-25%2828%2931-22-24%2833-27%2830%2921-18-15-12-9-6-3%2923-32-26%2829%2920-17-14-11-8-5-2%2Fh24H%2C4-23H2%2C1-3H3, 3.0, 83.0, 3.76999998092651, 32.0, -4.3621997833252, , 0.0, 26.0, 9.63399982452393, 2.0, 106.715103149414, 0.0, 19.0287895202637, 8.0, 0.0, 33.0
-InChI%3D1S%2FC39H41N3O6S2.Na%2Fc1-5-41%2827-29-9-7-11-37%2825-29%2949%2843%2C44%2945%2935-21-15-32%2816-22-35%2939%2831-13-19-34%2820-14-31%2940%283%294%2933-17-23-36%2824-18-33%2942%286-2%2928-30-10-8-12-38%2826-30%2950%2846%2C47%2948%3B%2Fh7-26H%2C5-6%2C27-28H2%2C1-4H3%2C%28H-%2C43%2C44%2C45%2C46%2C47%2C48%29%3B%2Fq%3B%2B1%2Fp-1, 22.0, 91.0, 4.42999982833862, 54.0, , , 24.0, 12.0, 7.35099983215332, 2.0, , 0.0, , 2.0, 24.0, 4.0
-InChI%3D1S%2FC11H10N4.ClH%2Fc1-15-9-5-4-8-7%283-2-6-13-8%2910%289%2914-11%2815%2912%3B%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29%3B1H, 14.0, 27.0, 2.11999988555908, 17.0, -0.36719998717308, , 10.0, 0.0, 3.36400008201599, 0.0, 16.8964004516602, 2.0, 0.134835839271545, 0.0, 11.0, 0.0
-InChI%3D1S%2FC25H34O6%2Fc1-4-5-21-30-20-11-17-16-7-6-14-10-15%2827%298-9-23%2814%2C2%2922%2816%2918%2828%2912-24%2817%2C3%2925%2820%2C31-21%2919%2829%2913-26%2Fh8-10%2C16-18%2C20-22%2C26%2C28H%2C4-7%2C11-13H2%2C1-3H3%2Ft16-%2C17%3F%2C18-%2C20%2B%2C21%3F%2C22%3F%2C23-%2C24-%2C25%3F%2Fm0%2Fs1, 6.0, 65.0, 3.54999995231628, 35.0, -1.40409994125366, , 0.0, 4.0, 1.91400003433228, 0.0, 111.714698791504, 2.0, 1.97149682044983, 3.0, 0.0, 4.0
-InChI%3D1S%2FC20H31NO6%2Fc1-6-13%284%2918%2823%2927-16-8-10-21-9-7-15%2817%2816%2921%2911-26-19%2824%2920%2825%2C12%282%293%2914%285%2922%2Fh6-7%2C12%2C14%2C16-17%2C22%2C25H%2C8-11H2%2C1-5H3%2Ft14%3F%2C16%3F%2C17-%2C20%3F%2Fm1%2Fs1, 5.0, 58.0, 2.89000010490417, 28.0, 0.471199989318848, , 0.0, 9.0, 0.904999971389771, 0.0, 99.7536010742188, 2.0, 0.222029432654381, 5.0, 0.0, 12.0
-InChI%3D1S%2FC5H10N4O2%2Fc10-6-8-2-1-3-9%287-11%295-4-8%2Fh1-5H2, 3.0, 21.0, 1.35000002384186, 11.0, -0.469199985265732, , 0.0, 2.0, -0.153999999165535, 0.0, 39.0746002197266, 0.0, 0.220148637890816, 0.0, 0.0, 2.0
-InChI%3D1S%2FC6H6O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4%2C7-8H, 8.0, 14.0, 1.89999997615814, 8.0, -0.92059999704361, , 6.0, 0.0, 0.870000004768372, 0.0, 5.12919998168945, 2.0, 0.847504377365112, 0.0, 6.0, 0.0
-InChI%3D1S%2FC9H11ClN2O%2Fc1-12%282%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29, 10.0, 24.0, 2.00999999046326, 13.0, 0.321200013160706, , 6.0, 3.0, 1.91999995708466, 0.0, 26.9515991210938, 1.0, 0.103169441223145, 0.0, 6.0, 6.0
-InChI%3D1S%2FC16H16N2O4S%2Fc1-11%2819%2917-13-3-7-15%288-4-13%2923%2821%2C22%2916-9-5-14%286-10-16%2918-12%282%2920%2Fh3-10H%2C1-2H3%2C%28H%2C17%2C19%29%28H%2C18%2C20%29, 21.0, 39.0, 2.45000004768372, 24.0, -0.568599998950958, , 12.0, 4.0, 2.95900011062622, 0.0, 36.4431991577148, 2.0, 0.32330596446991, 2.0, 12.0, 4.0
-InChI%3D1S%2FC14H9Cl5%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13H, 6.0, 28.0, 2.45000004768372, 20.0, 3.14249992370605, , 12.0, 3.0, 7.01999998092651, 1.0, 35.7430992126465, 0.0, 9.87530612945557, 2.0, 12.0, 5.0
-InChI%3D1S%2FC4H10N2O3%2Fc7-3-1-6%285-9%292-4-8%2Fh7-8H%2C1-4H2, 3.0, 19.0, 1.35000002384186, 8.0, -0.987999975681305, , 0.0, 5.0, -1.692999958992, 0.0, 32.6351013183594, 2.0, 0.976144015789032, 2.0, 0.0, 9.0
-InChI%3D1S%2F2C2H4O2.Pb%2Fc2%2A1-2%283%294%3B%2Fh2%2A1H3%2C%28H%2C3%2C4%29%3B%2Fq%3B%3B%2B2%2Fp-2, 3.0, 15.0, 1.35000002384186, 6.0, , , 0.0, 0.0, -1.12199997901917, 0.0, , 0.0, , 0.0, 0.0, 4.0
-InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H, 7.0, 11.0, 1.78999996185303, 7.0, -0.346500009298325, , 5.0, 1.0, 1.057000041008, 0.0, 7.91300010681152, 0.0, 0.120062246918678, 0.0, 5.0, 2.0
-InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29, 8.0, 12.0, 1.46000003814697, 8.0, -0.92059999704361, , 6.0, 0.0, -0.462000012397766, 0.0, 5.12919998168945, 2.0, 0.847504377365112, 0.0, 6.0, 0.0
-InChI%3D1S%2FC12H12N2O3%2Fc1-3-14-6-9%2812%2816%2917%2910%2815%298-5-4-7%282%2913-11%288%2914%2Fh4-6H%2C3H2%2C1-2H3%2C%28H%2C16%2C17%29, 9.0, 31.0, 2.23000001907349, 18.0, 0.168699994683266, , 6.0, 2.0, 1.13199996948242, 0.0, 39.5200996398926, 1.0, 0.0284596905112267, 2.0, 6.0, 2.0
-InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H, 8.0, 14.0, 1.89999997615814, 8.0, -0.92059999704361, , 6.0, 0.0, 1.29900002479553, 0.0, 5.12919998168945, 2.0, 0.847504377365112, 0.0, 6.0, 0.0
-InChI%3D1S%2FC12H12N2O2S%2Fc13-9-1-5-11%286-2-9%2917%2815%2C16%2912-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, 17.0, 29.0, 2.23000001907349, 18.0, -1.92499995231628, , 12.0, 2.0, 1.23300004005432, 0.0, 17.0858001708984, 2.0, 3.70562505722046, 0.0, 12.0, 2.0
-InChI%3D1S%2FC14H12N4O3S%2Fc19-8-7-15-13-9-3-1-2-4-10%289%2916-14%2817-13%2911-5-6-12%2822-11%2918%2820%2921%2Fh1-6%2C19H%2C7-8H2%2C%28H%2C15%2C16%2C17%29, 10.0, 36.0, 2.11999988555908, 24.0, -0.882099986076355, , 11.0, 4.0, 2.60400009155273, 0.0, 37.657600402832, 3.0, 0.778100430965424, 2.0, 11.0, 4.0
-InChI%3D1S%2FC3H3N3O2S%2Fc4-3-5-1-2%289-3%296%287%298%2Fh1H%2C%28H2%2C4%2C5%29, 3.0, 14.0, 1.12999999523163, 9.0, 0.174500003457069, , 0.0, 1.0, 0.790000021457672, 0.0, 27.300199508667, 2.0, 0.0304502490907907, 0.0, 0.0, 2.0
-InChI%3D1S%2FC7H4N2O3S%2Fc10-9%2811%297-2-1-6%2812-7%295-3-13-4-8-5%2Fh1-4H, 13.0, 17.0, 1.57000005245209, 14.0, 0.389899998903275, , 10.0, 2.0, 1.74300003051758, 0.0, 12.2983999252319, 1.0, 0.152022004127502, 0.0, 10.0, 3.0
-InChI%3D1S%2FC9H11N3O%2Fc13-11-12-6-2-4-9%2812%298-3-1-5-10-7-8%2Fh1%2C3%2C5%2C7%2C9H%2C2%2C4%2C6H2, 6.0, 24.0, 2.00999999046326, 14.0, -0.728600025177002, , 6.0, 2.0, 1.37600004673004, 0.0, 22.5904006958008, 0.0, 0.530857980251312, 0.0, 6.0, 2.0
-InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, 10.0, 20.0, 2.00999999046326, 11.0, -0.532000005245209, , 6.0, 1.0, 1.66600000858307, 0.0, 16.4654006958008, 2.0, 0.28302401304245, 0.0, 6.0, 4.0
-InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3, 8.0, 24.0, 2.33999991416931, 13.0, -0.476999998092651, , 6.0, 2.0, 3.2960000038147, 0.0, 21.1478004455566, 0.0, 0.227529004216194, 3.0, 6.0, 3.0
-InChI%3D1S%2FC4H10N2O%2Fc1-3-6%284-2%295-7%2Fh3-4H2%2C1-2H3, 3.0, 17.0, 1.57000005245209, 6.0, 0.591600000858307, , 0.0, 3.0, 0.570999979972839, 0.0, 28.6380996704102, 0.0, 0.349990546703339, 2.0, 0.0, 7.0
-InChI%3D1S%2FC12H10N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H%2Fb14-13%2B, 14.0, 24.0, 2.55999994277954, 15.0, 0.0, , 12.0, 2.0, 6.09999990463257, 1.0, 0.0, 0.0, 0.0, 0.0, 12.0, 2.0
-InChI%3D1S%2FC4H4N2OS%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29, 7.0, 12.0, 1.46000003814697, 8.0, 0.0507000014185905, , 6.0, 0.0, 0.428999990224838, 0.0, 11.256199836731, 1.0, 0.00257048988714814, 0.0, 6.0, 0.0
-InChI%3D1S%2FC11H12N2O%2Fc1-9-8-11%2814%2913%2812%289%292%2910-6-4-3-5-7-10%2Fh3-8H%2C1-2H3, 10.0, 28.0, 2.33999991416931, 15.0, -0.483599990606308, , 6.0, 1.0, 2.00799989700317, 0.0, 29.8819999694824, 0.0, 0.233868956565857, 0.0, 6.0, 0.0
-InChI%3D1S%2FC6H18N3OP%2Fc1-7%282%2911%2810%2C8%283%294%299%285%296%2Fh1-6H3, 5.0, 29.0, 1.57000005245209, 10.0, -1.11600005626678, , 0.0, 3.0, -0.560999989509583, 0.0, 48.6383018493652, 0.0, 1.2454559803009, 0.0, 0.0, 11.0
-InChI%3D1S%2FC18H14N4O5S%2Fc23-16-9-6-13%2811-15%2816%2918%2824%2925%2921-20-12-4-7-14%288-5-12%2928%2826%2C27%2922-17-3-1-2-10-19-17%2Fh1-11%2C23H%2C%28H%2C19%2C22%29%28H%2C24%2C25%29, 28.0, 42.0, 2.33999991416931, 30.0, -1.63660001754761, , 18.0, 6.0, 4.29099988937378, 0.0, 20.925500869751, 3.0, 2.67845964431763, 0.0, 18.0, 4.0
-InChI%3D1S%2FC2H3N3O%2Fc1-5%282-3%294-6%2Fh1H3, 5.0, 9.0, 1.24000000953674, 5.0, 0.123400002717972, , 0.0, 1.0, -0.479000002145767, 0.0, 21.0093994140625, 0.0, 0.015227559953928, 0.0, 0.0, 6.0
-InChI%3D1S%2FC10H10N2%2Fc11-9-5-1-3-7-8%289%294-2-6-10%287%2912%2Fh1-6H%2C11-12H2, 12.0, 22.0, 2.33999991416931, 13.0, -1.49979996681213, , 10.0, 0.0, 1.76800000667572, 0.0, 8.44419956207275, 2.0, 2.24940013885498, 0.0, 11.0, 0.0
-InChI%3D1S%2FC9H19N3O2%2Fc1-3-5-7-10-9%2813%2912%2811-14%298-6-4-2%2Fh3-8H2%2C1-2H3%2C%28H%2C10%2C13%29, 6.0, 33.0, 1.89999997615814, 13.0, -0.92739999294281, , 0.0, 8.0, 2.3529999256134, 0.0, 49.8160018920898, 1.0, 0.860070765018463, 4.0, 0.0, 14.0
-InChI%3D1S%2FC11H13N5O4%2Fc1-15%282%297-12-11-14-13-9%2820-11%295-3-8-4-6-10%2819-8%2916%2817%2918%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C12%2C14%29%2Fb5-3%2B, 10.0, 35.0, 1.67999994754791, 21.0, -0.83380001783371, , 5.0, 5.0, 2.2260000705719, 0.0, 49.9392013549805, 2.0, 0.695222437381744, 2.0, 5.0, 5.0
-InChI%3D1S%2FC9H16N2O2S2%2Fc14-9%2810-1-5-12-6-2-10%2915-11-3-7-13-8-4-11%2Fh1-8H2, 3.0, 31.0, 1.78999996185303, 16.0, 1.17110002040863, , 0.0, 3.0, 0.188999995589256, 0.0, 67.0607986450195, 0.0, 1.37147521972656, 0.0, 0.0, 3.0
-InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29%2Ft5-%2Fm0%2Fs1, 3.0, 23.0, 1.67999994754791, 9.0, -0.479900002479553, , 0.0, 5.0, -1.49500000476837, 0.0, 40.1720008850098, 2.0, 0.230304002761841, 4.0, 0.0, 10.0
-InChI%3D1S%2FCH4N2S%2Fc2-1%283%294%2Fh%28H4%2C2%2C3%2C4%29, 3.0, 8.0, 1.24000000953674, 3.0, 0.552799999713898, , 0.0, 0.0, 0.0670000016689301, 0.0, 17.391300201416, 2.0, 0.305587828159332, 0.0, 0.0, 4.0
-InChI%3D1S%2FC5H6O2%2Fc6-4-5-2-1-3-7-5%2Fh1-3%2C6H%2C4H2, 5.0, 13.0, 1.78999996185303, 7.0, -0.602800011634827, , 5.0, 1.0, 0.382999986410141, 0.0, 8.89589977264404, 1.0, 0.363367825746536, 0.0, 5.0, 2.0
-InChI%3D1S%2FC16H15NO2%2Fc17-15-11-5-4-10-14%2815%2916%2818%2919-12-6-9-13-7-2-1-3-8-13%2Fh1-11H%2C12%2C17H2%2Fb9-6%2B, 10.0, 34.0, 2.89000010490417, 20.0, -0.361600011587143, , 12.0, 5.0, 6.27099990844727, 1.0, 25.5445995330811, 1.0, 0.130754560232162, 3.0, 12.0, 6.0
-InChI%3D1S%2FC6H9NO6%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29, 3.0, 22.0, 1.35000002384186, 12.0, -1.31159996986389, , 0.0, 6.0, -1.79100000858307, 0.0, 38.2419013977051, 3.0, 1.72029459476471, 2.0, 0.0, 13.0
-InChI%3D1S%2FC7H7NO2%2Fc1-6-2-4-7%285-3-6%298%289%2910%2Fh2-5H%2C1H3, 9.0, 17.0, 1.89999997615814, 10.0, 0.595399975776672, , 6.0, 1.0, 3.21700000762939, 0.0, 8.38790035247803, 0.0, 0.354501157999039, 0.0, 6.0, 2.0
-InChI%3D1S%2FC15H23ClO4S%2Fc1-12%2820-21%2817%2919-10-9-16%2911-18-14-7-5-13%286-8-14%2915%282%2C3%294%2Fh5-8%2C12H%2C9-11H2%2C1-4H3, 7.0, 44.0, 2.45000004768372, 21.0, 1.7257000207901, , 6.0, 9.0, 3.91400003433228, 0.0, 61.6603012084961, 0.0, 2.97804045677185, 3.0, 6.0, 11.0
-InChI%3D1S%2FC17H13N3O3%2Fc1-11-6-8-14%2815%2810-11%2920%2822%2923%2918-19-17-13-5-3-2-4-12%2813%297-9-16%2817%2921%2Fh2-10%2C21H%2C1H3%2Fb19-18%2B, 22.0, 36.0, 2.67000007629395, 25.0, 0.13510000705719, , 16.0, 3.0, 6.59000015258789, 1.0, 10.9525003433228, 1.0, 0.0182520095258951, 0.0, 17.0, 2.0
-InChI%3D1S%2FC6H7ClN2%2Fc7-5-2-1-4%288%293-6%285%299%2Fh1-3H%2C8-9H2, 8.0, 16.0, 1.78999996185303, 9.0, -0.755500018596649, , 6.0, 0.0, 0.832000017166138, 0.0, 14.0598001480103, 2.0, 0.570780277252197, 0.0, 6.0, 0.0
-InChI%3D1S%2FC11H9BrO4.Na%2Fc1-16-8-4-2-7%283-5-8%2911%2815%299%2812%296-10%2813%2914%3B%2Fh2-6H%2C1H3%2C%28H%2C13%2C14%29%3B%2Fq%3B%2B1%2Fp-1%2Fb9-6%2B%3B, 14.0, 25.0, 2.00999999046326, 16.0, , , 6.0, 4.0, 1.78699994087219, 0.0, , 0.0, , 4.0, 6.0, 8.0
-InChI%3D1S%2FC4H9NO2%2Fc1-3-4%282%295%286%297%2Fh4H%2C3H2%2C1-2H3, 2.0, 16.0, 1.57000005245209, 6.0, -0.394499987363815, , 0.0, 2.0, 1.08500003814697, 0.0, 20.899299621582, 0.0, 0.155630245804787, 4.0, 0.0, 7.0
-InChI%3D1S%2FC6H12N2O4%2Fc1-5%2810%292-8%287-12%293-6%2811%294-9%2Fh6%2C9%2C11H%2C2-4H2%2C1H3, 3.0, 24.0, 1.46000003814697, 11.0, -1.51730000972748, , 0.0, 6.0, -2.0090000629425, 0.0, 41.9410018920898, 2.0, 2.3021993637085, 3.0, 0.0, 12.0
-InChI%3D1S%2FC10HCl11%2Fc11-2-1-3%2812%295%2814%294%281%2C13%2910%2820%2C21%297%282%2C16%298%285%2C17%296%282%2C15%299%283%2C18%2919%2Fh1H, 0.0, 22.0, 1.35000002384186, 25.0, 5.35629987716675, , 0.0, 0.0, 5.97900009155273, 1.0, 88.0130996704102, 0.0, 28.6899490356445, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H14N2O4%2Fc12-10%2814%2916-6-9%287-17-11%2813%2915%298-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2%2C%28H2%2C12%2C14%29%28H2%2C13%2C15%29, 6.0, 31.0, 2.00999999046326, 17.0, 0.655499994754791, , 6.0, 7.0, 4.34600019454956, 0.0, 31.8826007843018, 4.0, 0.42968025803566, 3.0, 6.0, 11.0
-InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2, 0.0, 14.0, 1.67999994754791, 6.0, -0.261799991130829, , 0.0, 0.0, -0.379999995231628, 0.0, 22.0869998931885, 0.0, 0.0685392394661903, 0.0, 0.0, 0.0
-InChI%3D1S%2FCd.2ClH%2Fh%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2, 0.0, 3.0, 1.12999999523163, 0.0, , , 0.0, 0.0, 1.02400004863739, 0.0, , 0.0, , 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H, 9.0, 14.0, 1.78999996185303, 9.0, -0.0465999990701675, , 6.0, 1.0, 2.89400005340576, 0.0, 2.88579988479614, 0.0, 0.00217155995778739, 0.0, 6.0, 3.0
-InChI%3D1S%2FC6H12ClN3O3%2Fc1-5%2811%294-10%289-13%296%2812%298-3-2-7%2Fh5%2C11H%2C2-4H2%2C1H3%2C%28H%2C8%2C12%29, 6.0, 25.0, 1.35000002384186, 12.0, 0.418500006198883, , 0.0, 6.0, 0.168999999761581, 0.0, 48.5611991882324, 2.0, 0.175142243504524, 3.0, 0.0, 13.0
-InChI%3D1S%2FC11H16O2%2Fc1-11%282%2C3%299-7-8%2813-4%295-6-10%289%2912%2Fh5-7%2C12H%2C1-4H3, 8.0, 29.0, 2.45000004768372, 13.0, 1.04410004615784, , 6.0, 2.0, 3.18400001525879, 0.0, 29.0072002410889, 1.0, 1.09014475345612, 0.0, 6.0, 3.0
-InChI%3D1S%2FC5H10Br2O2%2Fc6-1-5%282-7%2C3-8%294-9%2Fh8-9H%2C1-4H2, 0.0, 19.0, 1.57000005245209, 8.0, 0.533599972724915, , 0.0, 4.0, 1.20200002193451, 0.0, 43.7966995239258, 2.0, 0.284728974103928, 3.0, 0.0, 9.0
-InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29, 3.0, 12.0, 1.46000003814697, 6.0, 0.351799994707108, , 0.0, 0.0, 0.122000001370907, 0.0, 26.6289005279541, 1.0, 0.123763240873814, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H8N2O5%2Fc12-11%2814%298%289-2-1-5-17-9%296-7-3-4-10%2818-7%2913%2815%2916%2Fh1-6H%2C%28H2%2C12%2C14%29, 18.0, 26.0, 1.89999997615814, 19.0, -0.164199993014336, , 10.0, 4.0, 2.62199997901917, 0.0, 23.6989002227783, 2.0, 0.0269616395235062, 3.0, 10.0, 5.0
-InChI%3D1S%2FC6H9NO%2Fc1-2-7-5-3-4-6%287%298%2Fh2H%2C1%2C3-5H2, 5.0, 17.0, 1.89999997615814, 8.0, -0.689899981021881, , 0.0, 1.0, 0.282999992370605, 0.0, 29.0034008026123, 0.0, 0.47596201300621, 2.0, 0.0, 2.0
-InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2%2Fb2-1%2B, 2.0, 9.0, 1.57000005245209, 4.0, 1.51820003986359, , 0.0, 1.0, 2.09899997711182, 0.0, 25.2765998840332, 0.0, 2.30493116378784, 3.0, 0.0, 5.0
-InChI%3D1S%2FC3H7N3O2%2Fc1-2-6%285-8%293%284%297%2Fh2H2%2C1H3%2C%28H2%2C4%2C7%29, 6.0, 15.0, 1.24000000953674, 7.0, 0.675700008869171, , 0.0, 3.0, 0.273999989032745, 0.0, 27.1250991821289, 2.0, 0.456570476293564, 2.0, 0.0, 8.0
-InChI%3D1S%2FC4H9N3O%2Fc8-6-7-3-1-5-2-4-7%2Fh5H%2C1-4H2, 3.0, 17.0, 1.46000003814697, 8.0, -0.487800002098083, , 0.0, 1.0, -0.642000019550323, 0.0, 30.8059005737305, 1.0, 0.237948834896088, 0.0, 0.0, 2.0
-InChI%3D1S%2FC8H12F6N2O%2Fc9-7%2810%2C11%293-1-5-16%2815-17%296-2-4-8%2812%2C13%2914%2Fh1-6H2, 3.0, 29.0, 1.35000002384186, 16.0, 0.953599989414215, , 0.0, 9.0, 4.00699996948242, 0.0, 42.5970993041992, 0.0, 0.909352958202362, 4.0, 0.0, 17.0
-InChI%3D1S%2FC19H28O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh3%2C13-16%2C20H%2C4-11H2%2C1-2H3%2Ft13-%2C14%3F%2C15-%2C16-%2C18%3F%2C19%3F%2Fm0%2Fs1, 2.0, 49.0, 3.32999992370605, 24.0, 0.174999997019768, , 0.0, 0.0, 3.03500008583069, 0.0, 82.4268035888672, 1.0, 0.0306250005960464, 0.0, 0.0, 0.0
-InChI%3D1S%2FC18H20O2%2Fc1-3-17%2813-5-9-15%2819%2910-6-13%2918%284-2%2914-7-11-16%2820%2912-8-14%2Fh5-12%2C19-20H%2C3-4H2%2C1-2H3, 16.0, 40.0, 3.22000002861023, 21.0, -0.230199992656708, , 12.0, 4.0, 5.66200017929077, 1.0, 33.7085990905762, 2.0, 0.0529920384287834, 6.0, 12.0, 6.0
-InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2, 4.0, 10.0, 1.78999996185303, 4.0, 1.78369998931885, , 0.0, 1.0, 1.68900001049042, 0.0, 25.0105991363525, 0.0, 3.18158578872681, 4.0, 0.0, 5.0
-InChI%3D1S%2FC24H38O4%2Fc1-5-9-13-19%287-3%2917-27-23%2825%2921-15-11-12-16-22%2821%2924%2826%2928-18-20%288-4%2914-10-6-2%2Fh11-12%2C15-16%2C19-20H%2C5-10%2C13-14%2C17-18H2%2C1-4H3, 12.0, 66.0, 3.66000008583069, 28.0, -1.78279995918274, , 6.0, 16.0, 9.04199981689453, 2.0, 77.5813980102539, 0.0, 3.17837572097778, 7.0, 6.0, 11.0
-InChI%3D1S%2FC3H5N3O9%2Fc7-4%288%2913-1-3%2815-6%2811%2912%292-14-5%289%2910%2Fh3H%2C1-2H2, 4.0, 20.0, 0.469999998807907, 14.0, -0.0697999969124794, , 0.0, 8.0, 0.976000010967255, 0.0, 25.5303001403809, 0.0, 0.00487203989177942, 3.0, 0.0, 15.0
-InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3, 6.0, 18.0, 2.33999991416931, 8.0, 0.30689999461174, , 6.0, 1.0, 4.9539999961853, 0.0, 10.3505001068115, 0.0, 0.0941876098513603, 2.0, 6.0, 2.0
-InChI%3D1S%2FC18H14N4O7S.Na%2Fc23-21%2824%2914-7-9-15%2817%2811-14%2922%2825%2926%2920-13-6-8-16%2818%2810-13%2930%2827%2C28%2929%2919-12-4-2-1-3-5-12%3B%2Fh1-11%2C19-20H%2C%28H%2C27%2C28%2C29%29%3B%2Fq%3B%2B1%2Fp-1, 30.0, 44.0, 2.00999999046326, 32.0, , , 18.0, 7.0, 6.52899980545044, 1.0, , 2.0, , 0.0, 18.0, 3.0
-InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh1%2C3H2%2C2H3, 2.0, 12.0, 1.78999996185303, 4.0, 1.90980005264282, , 0.0, 1.0, 1.24100005626678, 0.0, 24.7569999694824, 0.0, 3.64733600616455, 3.0, 0.0, 5.0
-InChI%3D1S%2FC2H5NO2%2Fc1-5-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, 4.0, 10.0, 1.35000002384186, 4.0, 0.57150000333786, , 0.0, 1.0, 0.497000008821487, 0.0, 15.5243997573853, 2.0, 0.326612263917923, 0.0, 0.0, 5.0
-InChI%3D1S%2FC15H32N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-14-15-17%282%2916-18%2Fh3-15H2%2C1-2H3, 3.0, 50.0, 2.77999997138977, 17.0, -3.40459990501404, , 0.0, 14.0, 6.7649998664856, 2.0, 59.9039001464844, 0.0, 11.5913009643555, 14.0, 0.0, 18.0
-InChI%3D1S%2FC13H16N4O6.ClH%2Fc18-13-16%2814-7-10-1-2-12%2822-10%2917%2819%2920%299-11%2823-13%298-15-3-5-21-6-4-15%3B%2Fh1-2%2C7%2C11H%2C3-6%2C8-9H2%3B1H%2Fb14-7-%3B%2Ft11-%3B%2Fm0.%2Fs1, 14.0, 41.0, 1.67999994754791, 25.0, -0.440600007772446, , 5.0, 5.0, 1.53699994087219, 0.0, 57.0368995666504, 0.0, 0.19412836432457, 0.0, 5.0, 2.0
-InChI%3D1S%2FC17H22N2O.C4H6O4%2Fc1-17%2820-14-13-19%282%293%2C15-9-5-4-6-10-15%2916-11-7-8-12-18-16%3B5-3%286%291-2-4%287%298%2Fh4-12H%2C13-14H2%2C1-3H3%3B1-2H2%2C%28H%2C5%2C6%29%28H%2C7%2C8%29, 6.0, 56.0, 3.0, 28.0, -0.168500006198883, , 12.0, 9.0, 3.78900003433228, 0.0, 56.907398223877, 2.0, 0.0283922497183084, 4.0, 12.0, 8.0
-InChI%3D1S%2FC3H5N3O%2Fc1-2-6%283-4%295-7%2Fh2H2%2C1H3, 5.0, 12.0, 1.35000002384186, 6.0, 0.373800009489059, , 0.0, 2.0, -0.0560000017285347, 0.0, 25.3031997680664, 0.0, 0.13972644507885, 2.0, 0.0, 7.0
-InChI%3D1S%2FC5H11N3O2%2Fc1-2-3-4-8%287-10%295%286%299%2Fh2-4H2%2C1H3%2C%28H2%2C6%2C9%29, 6.0, 21.0, 1.46000003814697, 9.0, -0.190099999308586, , 0.0, 5.0, 1.20099997520447, 0.0, 33.5686988830566, 2.0, 0.0361380092799664, 4.0, 0.0, 10.0
-InChI%3D1S%2FC15H13NO%2Fc1-10%2817%2916-13-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9H%2C8H2%2C1H3%2C%28H%2C16%2C17%29, 15.0, 30.0, 2.89000010490417, 19.0, 0.384499996900558, , 12.0, 1.0, 5.80700016021729, 1.0, 18.5018005371094, 1.0, 0.147840246558189, 2.0, 12.0, 4.0
-InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3, 0.0, 21.0, 1.67999994754791, 10.0, 0.757499992847443, , 0.0, 2.0, 0.722000002861023, 0.0, 45.0453987121582, 1.0, 0.57380622625351, 0.0, 0.0, 2.0
-InChI%3D1S%2FC9H11N3O2%2Fc13-10-12-6-2-4-9%2812%298-3-1-5-11%2814%297-8%2Fh1%2C3%2C5%2C7%2C9H%2C2%2C4%2C6H2, 7.0, 25.0, 1.89999997615814, 15.0, -0.751900017261505, , 6.0, 2.0, 0.513999998569489, 0.0, 24.0333003997803, 0.0, 0.565353631973267, 0.0, 6.0, 2.0
-InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29, 0.0, 11.0, 1.67999994754791, 6.0, 0.0513000003993511, , 0.0, 0.0, 0.535000026226044, 0.0, 5.89870023727417, 2.0, 0.00263168988749385, 0.0, 5.0, 0.0
-InChI%3D1S%2FC32H24N6O16S4.2Cu.4Na%2Fc33-19-11-17%2855%2843%2C44%2945%295-15-9-25%2857%2849%2C50%2951%2929%2831%2841%2927%2815%2919%2937-35-21-3-1-13%287-23%2821%2939%2914-2-4-22%2824%2840%298-14%2936-38-30-26%2858%2852%2C53%2954%2910-16-6-18%2856%2846%2C47%2948%2912-20%2834%2928%2816%2932%2830%2942%3B%3B%3B%3B%3B%3B%2Fh1-12%2C39-42H%2C33-34H2%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29%3B%3B%3B%3B%3B%3B%2Fq%3B2%2A%2B2%3B4%2A%2B1%2Fp-8%2Fb37-35-%2C38-36-%3B%3B%3B%3B%3B%3B, 58.0, 80.0, 1.46000003814697, 63.0, , , 32.0, 9.0, -0.448000013828278, 1.0, , 2.0, , 0.0, 34.0, 3.0
-InChI%3D1S%2FC6H6N2O2%2Fc9-7-5-1-2-6%288-10%294-3-5%2Fh1-4%2C9-10H, 10.0, 16.0, 1.67999994754791, 10.0, 0.0649999976158142, , 0.0, 0.0, 0.257999986410141, 0.0, 38.0985984802246, 2.0, 0.00422499980777502, 0.0, 0.0, 2.0
-InChI%3D1S%2FC6H12ClN3O3%2Fc1-4%2811%293-8-6%2812%2910%289-13%295%282%297%2Fh4-5%2C11H%2C3H2%2C1-2H3%2C%28H%2C8%2C12%29, 6.0, 25.0, 1.35000002384186, 12.0, 0.657999992370605, , 0.0, 5.0, 0.270999997854233, 0.0, 48.0792007446289, 2.0, 0.432963997125626, 3.0, 0.0, 13.0
-InChI%3D1S%2FC8H12N4O5%2Fc9-7-10-2-12%288%2816%2911-7%296-5%2815%294%2814%293%281-13%2917-6%2Fh2-6%2C13-15H%2C1H2%2C%28H2%2C9%2C11%2C16%29%2Ft3%3F%2C4-%2C5-%2C6%3F%2Fm1%2Fs1, 4.0, 33.0, 1.35000002384186, 18.0, -1.73510003089905, , 0.0, 2.0, -1.72200000286102, 1.0, 51.6804008483887, 7.0, 3.01057195663452, 0.0, 0.0, 2.0
-InChI%3D1S%2FC11H10N4%2Fc1-15-9-5-4-8-7%283-2-6-13-8%2910%289%2914-11%2815%2912%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29, 14.0, 25.0, 2.23000001907349, 17.0, -0.36719998717308, , 10.0, 0.0, 2.85199999809265, 0.0, 16.8964004516602, 2.0, 0.134835839271545, 0.0, 11.0, 0.0
-InChI%3D1S%2FC5H10N2O3%2Fc1-7%286-10%294-2-3-5%288%299%2Fh2-4H2%2C1H3%2C%28H%2C8%2C9%29, 3.0, 20.0, 1.46000003814697, 9.0, -0.492900013923645, , 0.0, 5.0, -0.377000004053116, 0.0, 33.7461013793945, 1.0, 0.242950409650803, 4.0, 0.0, 10.0
-InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3, 6.0, 21.0, 2.45000004768372, 9.0, 1.92599999904633, , 6.0, 0.0, 5.0310001373291, 1.0, 16.5062999725342, 0.0, 3.70947599411011, 0.0, 6.0, 0.0
-InChI%3D1S%2FC5H8O2%2Fc1-5%282%293-7-4%285%296%2Fh3H2%2C1-2H3, 3.0, 15.0, 1.78999996185303, 7.0, 0.834699988365173, , 0.0, 0.0, 0.354999989271164, 0.0, 24.6285991668701, 0.0, 0.696724116802216, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H11N.ClH%2Fc1-6-3-4-7%282%298%289%295-6%3B%2Fh3-5H%2C9H2%2C1-2H3%3B1H, 7.0, 22.0, 2.11999988555908, 9.0, 0.534099996089935, , 6.0, 0.0, 2.92400002479553, 0.0, 15.226300239563, 1.0, 0.285262823104858, 0.0, 6.0, 0.0
-InChI%3D1S%2FC62H86N12O16%2Fc1-27%282%2942-59%2884%2973-23-17-19-36%2873%2957%2882%2969%2813%2925-38%2875%2971%2815%2948%2829%285%296%2961%2886%2988-33%2811%2944%2855%2880%2965-42%2967-53%2878%2935-22-21-31%289%2951-46%2835%2964-47-40%2841%2863%2950%2877%2932%2810%2952%2847%2990-51%2954%2879%2968-45-34%2812%2989-62%2887%2949%2830%287%298%2972%2816%2939%2876%2926-70%2814%2958%2883%2937-20-18-24-74%2837%2960%2885%2943%2828%283%294%2966-56%2845%2981%2Fh21-22%2C27-30%2C33-34%2C36-37%2C42-45%2C48-49H%2C17-20%2C23-26%2C63H2%2C1-16H3%2C%28H%2C65%2C80%29%28H%2C66%2C81%29%28H%2C67%2C78%29%28H%2C68%2C79%29%2Ft33-%2C34-%2C36-%2C37-%2C42%2B%2C43%2B%2C44%3F%2C45%3F%2C48-%2C49-%2Fm0%2Fs1, 11.0, 182.0, 5.19999980926514, 96.0, -5.45800018310547, , 6.0, 8.0, 1.51999998092651, 2.0, 289.450012207031, 6.0, 29.7897644042969, 0.0, 6.0, 3.0
-InChI%3D1S%2FC9H13N.ClH%2Fc1-6-4-7%282%299%2810%298%283%295-6%3B%2Fh4-5H%2C10H2%2C1-3H3%3B1H, 7.0, 25.0, 2.23000001907349, 10.0, 1.17610001564026, , 6.0, 0.0, 3.03600001335144, 0.0, 20.7283992767334, 1.0, 1.38321125507355, 0.0, 6.0, 0.0
-InChI%3D1S%2FC6H4N4O4%2Fc7-6-9-8-5%2814-6%293-1-2-4%2813-3%2910%2811%2912%2Fh1-2H%2C%28H2%2C7%2C9%29, 8.0, 20.0, 1.24000000953674, 15.0, -0.414700001478195, , 5.0, 2.0, 1.59899997711182, 0.0, 21.0323009490967, 3.0, 0.171976089477539, 0.0, 5.0, 2.0
\ No newline at end of file
diff --git a/5x_cv/RAT_electronic_cpsa.csv b/5x_cv/RAT_electronic_cpsa.csv
deleted file mode 100644
index ef371c7..0000000
--- a/5x_cv/RAT_electronic_cpsa.csv
+++ /dev/null
@@ -1,563 +0,0 @@
-SMILES,nHBDon,RHSA,RPCS,PNSA-1,PPSA-1,FNSA-1,FPSA-1,DPSA-1,PNSA-2,PPSA-2,FNSA-2,FPSA-2,DPSA-2,PNSA-3,PPSA-3,TPSA,FNSA-3,FPSA-3,DPSA-3,WNSA-1,THSA,WNSA-2,WNSA-3,RNCG,apol,bpol,WPSA-1,nHBAcc,RPSA,RNCS,RPCG,WPSA-2,WPSA-3
-InChI%3D1S%2FC8H5N3O4S%2Fc12-4-9-8-10-5%283-16-8%296-1-2-7%2815-6%2911%2813%2914%2Fh1-4H%2C%28H%2C9%2C10%2C12%29, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 26.821964263916, 13.5580348968506, , 3.0, , , , , 
-InChI%3D1S%2FC17H21N3.ClH%2Fc1-19%282%2915-9-5-13%286-10-15%2917%2818%2914-7-11-16%2812-8-14%2920%283%294%3B%2Fh5-12%2C18H%2C1-4H3%3B1H, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 50.0694465637207, 28.4305534362793, , 3.0, , , , , 
-InChI%3D1S%2FC2H5ClO%2Fc1-4-2-3%2Fh2H2%2C1H3, 0.0, 0.882828772068024, 1.15229904651642, 103.980155944824, 179.42008972168, 0.366902142763138, 0.633097887039185, 75.4399337768555, -52.4877128601074, 90.5687255859375, -0.185207009315491, 0.319578856229782, 143.056442260742, -22.1159591674805, 10.7467088699341, 33.206356048584, -0.078037902712822, 0.037920605391264, 32.8626670837402, 29.4680004119873, 250.193893432617, -14.8750305175781, -6.2676682472229, 0.717675685882568, 9.83596515655518, 7.80203485488892, 50.8476943969727, 1.0, 0.117171235382557, 23.8313941955566, 0.29079881310463, 25.6671981811523, 3.04561972618103
-InChI%3D1S%2FC18H25NO7%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2925-9-13-4-6-19%2824%297-5-14%2815%2813%2919%2926-16%2812%2921%2Fh3-4%2C11%2C14-15%2C20%2C23H%2C5-10H2%2C1-2H3%2Ft11-%2C14%3F%2C15-%2C18-%2C19%3F%2Fm1%2Fs1, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 55.0638236999512, 35.3561744689941, , 6.0, , , , , 
-InChI%3D1S%2FC6H12N2O3%2Fc1-2-3-8%287-11%294-6%2810%295-9%2Fh2%2C6%2C9-10H%2C1%2C3-5H2, 2.0, 0.749786734580994, 2.48042464256287, 137.057998657227, 252.591583251953, 0.351746797561646, 0.648253202438354, 115.533584594727, -170.683731079102, 314.562286376953, -0.438044220209122, 0.807295322418213, 485.246002197266, -30.8837909698486, 20.0127983093262, 97.4954986572266, -0.0792604237794876, 0.0513610169291496, 50.8965911865234, 53.4045867919922, 292.154083251953, -66.5068435668945, -12.0338563919067, 0.315609008073807, 23.167516708374, 14.7364835739136, 98.4221954345703, 3.0, 0.250213295221329, 7.84668684005737, 0.168862283229828, 122.569053649902, 7.79797792434692
-InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3, 0.0, 1.0, 7.43165969848633, 127.629852294922, 219.780166625977, 0.367375284433365, 0.632624745368958, 92.1503067016602, -36.0826416015625, 62.1347465515137, -0.103861831128597, 0.178851336240768, 98.2173919677734, -12.4260654449463, 7.77290153503418, 0.0, -0.0357677228748798, 0.0223738569766283, 20.1989669799805, 44.3398895263672, 347.410003662109, -12.5354709625244, -4.31693935394287, 0.491586685180664, 13.8875513076782, 8.07244873046875, 76.3538284301758, 0.0, 0.0, 35.2691802978516, 0.290856301784515, 21.5862331390381, 2.70038390159607
-InChI%3D1S%2FCH2O3.K%2Fc2-1%283%294%3B%2Fh%28H2%2C2%2C3%2C4%29%3B%2Fq%3B%2B1%2Fp-1, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 48.2327919006348, 3.00920701026917, , 3.0, , , , , 
-InChI%3D1S%2FC12H10N2O%2Fc15-13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H, 0.0, 1.0, 1.1621230840683, 182.140121459961, 284.672912597656, 0.39017790555954, 0.60982209444046, 102.532775878906, -138.743927001953, 216.847518920898, -0.297215193510056, 0.464527577161789, 355.591430664062, -13.3122148513794, 16.7702236175537, 0.0, -0.0285172313451767, 0.0359249264001846, 30.0824394226074, 85.0253829956055, 466.813018798828, -64.7674713134766, -6.21431541442871, 0.169691041111946, 30.7899303436279, 12.55006980896, 132.889022827148, 1.0, 0.0, 7.42771863937378, 0.0836502313613892, 101.227249145508, 7.82855892181396
-InChI%3D1S%2FC8H6N4O5%2Fc13-6-4-11%288%2814%2910-6%299-3-5-1-2-7%2817-5%2912%2815%2916%2Fh1-3H%2C4H2%2C%28H%2C10%2C13%2C14%29%2Fb9-3%2B, 1.0, 0.716198801994324, 0.752526998519897, 229.787796020508, 207.749069213867, 0.525184988975525, 0.474815011024475, -22.0387306213379, -376.947509765625, 340.794830322266, -0.86152172088623, 0.778894007205963, 717.742370605469, -40.9969787597656, 23.581356048584, 124.173492431641, -0.0936994850635529, 0.0538956969976425, 64.5783309936523, 100.540634155273, 313.363372802734, -164.928436279297, -17.9376888275146, 0.211434304714203, 26.490758895874, 13.9892416000366, 90.8978805541992, 5.0, 0.283801198005676, 7.41837596893311, 0.209901332855225, 149.110305786133, 10.3177127838135
-InChI%3D1S%2FC16H11NO2%2Fc18-17%2819%2914-9-7-12-5-4-10-2-1-3-11-6-8-13%2814%2916%2812%2915%2810%2911%2Fh1-9%2C15-16H, 0.0, 1.0, 1.77603185176849, 272.325836181641, 238.381790161133, 0.533232390880585, 0.466767638921738, -33.9440498352051, -209.669784545898, 183.535507202148, -0.410547584295273, 0.35937488079071, 393.205291748047, -20.7177543640137, 15.3006639480591, 0.0, -0.040566761046648, 0.0299597308039665, 36.0184173583984, 139.078887939453, 510.707641601562, -107.079963684082, -10.5807161331177, 0.164554670453072, 36.8651351928711, 11.0948629379272, 121.74340057373, 0.0, 0.0, 7.03418159484863, 0.17430254817009, 93.7329788208008, 7.8141655921936
-InChI%3D1S%2FC16H14N4O3S%2Fc21-20%2822%2914-6-5-13%2824-14%2915-17-12-4-2-1-3-11%2812%2916%2818-15%2919-7-9-23-10-8-19%2Fh1-6H%2C7-10H2, 0.0, 0.931009292602539, 0.990483522415161, 263.520874023438, 392.787170410156, 0.401520103216171, 0.598479926586151, 129.266311645508, -437.141418457031, 651.574768066406, -0.666061341762543, 0.992788016796112, 1088.71618652344, -32.9053192138672, 23.2655754089355, 45.2791519165039, -0.0501370020210743, 0.0354491695761681, 56.1708946228027, 172.950866699219, 611.028869628906, -286.899444580078, -21.5960254669189, 0.227870553731918, 47.8678932189941, 26.4701042175293, 257.789398193359, 4.0, 0.0689906999468803, 5.425217628479, 0.101270936429501, 427.633758544922, 15.2693843841553
-InChI%3D1S%2FC4H9N3O3%2Fc5-4%289%297%286-10%292-1-3-8%2Fh8H%2C1-3H2%2C%28H2%2C5%2C9%29, 3.0, 0.651084184646606, 3.09384059906006, 128.860794067383, 237.560455322266, 0.351673901081085, 0.648326098918915, 108.699661254883, -158.963836669922, 293.056701660156, -0.433828085660934, 0.79978084564209, 452.020538330078, -31.5179958343506, 22.5832347869873, 127.850166320801, -0.0860157385468483, 0.0616318881511688, 54.1012306213379, 47.2173385620117, 238.571090698242, -58.247730255127, -11.5488634109497, 0.320731967687607, 18.7471370697021, 11.4568634033203, 87.0472030639648, 4.0, 0.348915785551071, 3.83631467819214, 0.189187541604042, 107.382209777832, 8.27497673034668
-InChI%3D1S%2FC7H6N6O3%2Fc8-6-10-5%2811-7%289%2912-6%293-1-2-4%2816-3%2913%2814%2915%2Fh1-2H%2C%28H4%2C8%2C9%2C10%2C11%2C12%29, 5.0, , , , , , , , , , , , , , , , , , , , , , , , 26.660343170166, 13.8976564407349, , 5.0, , , , , 
-InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2, 2.0, 0.812748849391937, 1.91458201408386, 174.016067504883, 157.854202270508, 0.524349689483643, 0.475650310516357, -16.1618747711182, -173.049026489258, 156.976974487305, -0.521435737609863, 0.473007023334503, 330.026000976562, -29.6338005065918, 15.4845581054688, 62.1430931091309, -0.0892933234572411, 0.0466584675014019, 45.1183586120605, 57.7507629394531, 269.727172851562, -57.4298286437988, -9.8345775604248, 0.360040187835693, 19.1667575836182, 7.15524196624756, 52.3871154785156, 1.0, 0.187251150608063, 12.017144203186, 0.219104617834091, 52.0959892272949, 5.13886451721191
-InChI%3D1S%2FC18H23NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C14-15%2C20%2C23H%2C2%2C5-10H2%2C1H3%2Ft14-%2C15%3F%2C18-%2Fm1%2Fs1, 2.0, 0.781741082668304, 0.0, 169.654891967773, 433.367004394531, 0.281341165304184, 0.718658804893494, 263.712097167969, -432.090881347656, 1103.734375, -0.716542601585388, 1.83033883571625, 1535.82531738281, -36.9467124938965, 24.2611255645752, 131.61491394043, -0.0612692721188068, 0.0402325801551342, 61.207836151123, 102.305610656738, 471.406982421875, -260.560272216797, -22.2796764373779, 0.153866082429886, 52.9282379150391, 32.8717613220215, 261.329772949219, 7.0, 0.218258932232857, 4.77630519866943, 0.11800279468298, 665.575988769531, 14.6299896240234
-InChI%3D1S%2FC4H8N2O%2Fc7-5-6-3-1-2-4-6%2Fh1-4H2, 0.0, 1.0, 2.75592517852783, 82.5886840820312, 233.549133300781, 0.261242657899857, 0.738757371902466, 150.96044921875, -30.3128452301025, 85.7204437255859, -0.0958849042654037, 0.271148979663849, 116.03328704834, -8.8960132598877, 8.03723526000977, 0.0, -0.0281396694481373, 0.0254232008010149, 16.9332485198975, 26.1094055175781, 316.137817382812, -9.58303642272949, -2.8123664855957, 0.443878471851349, 15.3763437271118, 10.3636560440063, 73.8337173461914, 1.0, 0.0, 4.44492197036743, 0.122495785355568, 27.0994758605957, 2.54087424278259
-InChI%3D1S%2FC11H10N4%2Fc1-7-3-2-6-15-10%287%2913-8-4-5-9%2812%2914-11%288%2915%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29, 3.0, 0.89655202627182, 3.07835555076599, 72.5069122314453, 364.519439697266, 0.165909692645073, 0.834090292453766, 292.012542724609, -94.8297119140625, 476.744567871094, -0.216988533735275, 1.09088277816772, 571.574279785156, -14.3068571090698, 19.2227458953857, 45.2094802856445, -0.0327368304133415, 0.0439853258430958, 33.5296020507812, 31.6874313354492, 391.81689453125, -41.4430847167969, -6.25247383117676, 0.225942447781563, 37.0958595275879, 25.1641407012939, 159.304611206055, 4.0, 0.103447951376438, 0.512400686740875, 0.143753379583359, 208.349945068359, 8.40084648132324
-InChI%3D1S%2FC6H10N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-4H%2C1-2%2C5-6H2, 0.0, 1.0, 1.1312837600708, 116.960884094238, 268.7685546875, 0.303220003843307, 0.69677996635437, 151.807678222656, -74.7841567993164, 171.849166870117, -0.19387723505497, 0.445517390966415, 246.633331298828, -13.1410760879517, 13.1009845733643, 0.0, -0.0340681187808514, 0.0339641831815243, 26.2420616149902, 45.1152534484863, 385.729431152344, -28.8464508056641, -5.06889963150024, 0.243063971400261, 20.2299308776855, 12.55006980896, 103.671943664551, 1.0, 0.0, 1.45324146747589, 0.0909933969378471, 66.2872848510742, 5.05343532562256
-InChI%3D1S%2FC9H8N4O5%2Fc1-5%2814%2910-4-7-11-9%2812-18-7%296-2-3-8%2817-6%2913%2815%2916%2Fh2-3H%2C4H2%2C1H3%2C%28H%2C10%2C14%29, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 29.5843448638916, 16.4736557006836, , 3.0, , , , , 
-InChI%3D1S%2FC12H9NO%2Fc13-8-5-6-10-9-3-1-2-4-11%289%2914-12%2810%297-8%2Fh1-7H%2C13H2, 1.0, 0.869007766246796, 3.99791789054871, 156.549713134766, 288.786468505859, 0.351531565189362, 0.648468434810638, 132.236740112305, -144.053634643555, 265.734985351562, -0.323471665382385, 0.596706509590149, 409.788635253906, -22.1463413238525, 21.7859706878662, 58.335578918457, -0.0497294925153255, 0.0489202812314034, 43.9323120117188, 69.7172546386719, 387.000579833984, -64.1522979736328, -9.86256694793701, 0.335337489843369, 29.023136138916, 11.0948629379272, 128.607055664062, 1.0, 0.130992233753204, 7.02882289886475, 0.134866386651993, 118.341407775879, 9.70208072662354
-InChI%3D1S%2FC11H10N6O5%2Fc1-5%2818%2912-10-14-9%2815-11%2816-10%2913-6%282%2919%297-3-4-8%2822-7%2917%2820%2921%2Fh3-4H%2C1-2H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%2C18%2C19%29, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 36.6379318237305, 20.7040691375732, , 7.0, , , , , 
-InChI%3D1S%2FC6H14N2O%2Fc1-5%282%297-8%289%296%283%294%2Fh5-6H%2C1-4H3, 0.0, 1.0, 0.0, 60.0776481628418, 297.851257324219, 0.167847990989685, 0.832152009010315, 237.77360534668, -34.1275520324707, 169.196594238281, -0.0953472927212715, 0.472710072994232, 203.324157714844, -6.45459222793579, 8.4893856048584, 0.0, -0.018033167347312, 0.0237180776894093, 14.9439783096313, 21.5035266876221, 357.928894042969, -12.2152376174927, -2.31028509140015, 0.304534643888474, 22.897102355957, 16.9228973388672, 106.609573364258, 1.0, 0.0, 0.215262845158577, 0.149585291743279, 60.5603523254395, 3.03859663009644
-InChI%3D1S%2FC5H10ClN3O3%2Fc6-1-2-7-5%2811%299%288-12%293-4-10%2Fh10H%2C1-4H2%2C%28H%2C7%2C11%29, 2.0, 0.699743211269379, 0.456176668405533, 171.396728515625, 234.116073608398, 0.422666639089584, 0.577333390712738, 62.7193450927734, -234.608657836914, 320.459197998047, -0.57854813337326, 0.79025673866272, 555.06787109375, -36.9635162353516, 22.7297210693359, 121.757972717285, -0.0911525264382362, 0.0560517981648445, 59.6932373046875, 69.5035629272461, 283.754821777344, -95.1368103027344, -14.9891777038574, 0.288075983524323, 23.3539295196533, 14.2900695800781, 94.9370574951172, 4.0, 0.300256788730621, 5.63620090484619, 0.172683864831924, 129.950302124023, 9.21719264984131
-InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2, 0.0, 0.855962514877319, 0.0, 316.720794677734, 196.746826171875, 0.616827189922333, 0.383172810077667, -119.973968505859, -453.858459472656, 281.936676025391, -0.883908689022064, 0.549083709716797, 735.795166015625, -46.600154876709, 10.9871053695679, 73.9585723876953, -0.09075578302145, 0.0213978551328182, 57.5872611999512, 162.625869750977, 439.509033203125, -233.041625976562, -23.9276695251465, 0.194431900978088, 37.9251365661621, 17.6948623657227, 101.023124694824, 3.0, 0.144037470221519, 4.73984336853027, 0.188113421201706, 144.765365600586, 5.6415228843689
-InChI%3D1S%2FC10H9N%2Fc11-10-6-5-8-3-1-2-4-9%288%297-10%2Fh1-7H%2C11H2, 1.0, 0.946765840053558, 5.31753730773926, 144.228363037109, 229.22346496582, 0.38620337843895, 0.613796591758728, 84.9951019287109, -101.120155334473, 160.711196899414, -0.270771622657776, 0.430339843034744, 261.831359863281, -12.3179559707642, 17.5518207550049, 19.8803901672363, -0.0329840555787086, 0.0469988882541656, 29.8697776794434, 53.8623428344727, 353.571441650391, -37.7635078430176, -4.60016298294067, 0.431352555751801, 24.7011375427246, 9.17886257171631, 85.6039199829102, 1.0, 0.0532341524958611, 8.57545757293701, 0.177004963159561, 60.0178909301758, 6.55475950241089
-InChI%3D1S%2FC16H12N2O%2Fc19-15-11-10-12-6-4-5-9-14%2812%2916%2815%2918-17-13-7-2-1-3-8-13%2Fh1-11%2C19H%2Fb18-17%2B, 1.0, 0.874275147914886, 5.3894681930542, 215.337371826172, 331.670562744141, 0.393664062023163, 0.606335937976837, 116.333190917969, -264.999755859375, 408.162414550781, -0.484453231096268, 0.746172726154327, 673.162170410156, -24.2937488555908, 26.7052192687988, 68.7724914550781, -0.0444120578467846, 0.0488205328583717, 50.9989700317383, 117.79125213623, 478.235443115234, -144.956985473633, -13.2888736724854, 0.291004806756973, 39.163516998291, 14.4384841918945, 181.42643737793, 2.0, 0.125724852085114, 11.1549577713013, 0.177052527666092, 223.268081665039, 14.607967376709
-InChI%3D1S%2FC6H14NO4P%2Fc1-9-12%288%2C10-2%297-3-5-11-6-4-7%2Fh3-6H2%2C1-2H3, 0.0, 0.837042272090912, 0.0, 62.3575134277344, 320.303100585938, 0.162957742810249, 0.837042272090912, 257.945587158203, -87.8379211425781, 451.184753417969, -0.22954523563385, 1.17907285690308, 539.022644042969, -18.4887180328369, 16.8119640350342, 62.3575134277344, -0.048316229134798, 0.0439344011247158, 35.3006820678711, 23.8617649078369, 320.303100585938, -33.6121139526367, -7.0749044418335, 0.268623769283295, 27.833101272583, 31.4708976745605, 122.5673828125, 5.0, 0.162957742810249, 6.26543235778809, 0.276905447244644, 172.650634765625, 6.43327665328979
-InChI%3D1S%2FC10H12N4O5%2Fc15-6-5-12-3-4-13%2810%2812%2916%2911-7-8-1-2-9%2819-8%2914%2817%2918%2Fh1-2%2C7%2C15H%2C3-6H2%2Fb11-7-, 1.0, 0.765653312206268, 1.08291244506836, 213.641418457031, 323.512542724609, 0.397728472948074, 0.602271556854248, 109.871124267578, -376.252014160156, 569.750244140625, -0.700454711914062, 1.06068336963654, 946.002258300781, -36.7702102661133, 27.4696350097656, 125.880256652832, -0.0684537589550018, 0.0511392243206501, 64.2398452758789, 114.758331298828, 411.273712158203, -202.105255126953, -19.7512626647949, 0.223942279815674, 34.0115165710449, 21.2084846496582, 173.77604675293, 5.0, 0.234346702694893, 4.73219537734985, 0.168795615434647, 306.043579101562, 14.7554235458374
-InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H, 0.0, 0.927993953227997, 0.908579349517822, 110.775733947754, 218.285842895508, 0.33664134144783, 0.663358628749847, 107.510108947754, -63.141242980957, 124.421112060547, -0.191882759332657, 0.378108888864517, 187.562347412109, -11.5794725418091, 12.1408348083496, 23.6944160461426, -0.0351893790066242, 0.036895327270031, 23.7203063964844, 36.4520378112793, 305.367156982422, -20.7773571014404, -3.81035947799683, 0.604933142662048, 20.216344833374, 10.6616563796997, 71.8294830322266, 0.0, 0.0720060244202614, 14.3335371017456, 0.138233885169029, 40.9422073364258, 3.99508213996887
-InChI%3D1S%2FC18H12O6%2Fc1-21-11-7-12-13%288-5-6-22-18%288%2924-12%2917-15%2811%2916%2820%2914-9%2819%293-2-4-10%2814%2923-17%2Fh2-8%2C18-19H%2C1H3, 1.0, 0.733171343803406, 2.2468421459198, 187.420303344727, 381.533813476562, 0.32941198348999, 0.67058801651001, 194.113525390625, -394.705535888672, 803.506896972656, -0.693738758563995, 1.41225242614746, 1198.21240234375, -41.2462196350098, 29.6602745056152, 151.813262939453, -0.0724948048591614, 0.0521312206983566, 70.906494140625, 106.633560180664, 417.140869140625, -224.5693359375, -23.4672069549561, 0.170732736587524, 44.4935150146484, 21.7404842376709, 217.075256347656, 2.0, 0.266828656196594, 4.79420232772827, 0.103427432477474, 457.158569335938, 16.8753356933594
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-InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3, 0.0, 1.0, 0.0514998771250248, 201.480575561523, 254.985168457031, 0.441392540931702, 0.558607459068298, 53.5045967102051, -143.340942382812, 181.406143188477, -0.314023435115814, 0.397414565086365, 324.7470703125, -16.5085315704346, 9.16942405700684, 0.0, -0.0361659824848175, 0.020087867975235, 25.6779556274414, 91.9689865112305, 456.465759277344, -65.4302291870117, -7.53557968139648, 0.370579421520233, 32.4951019287109, 21.1248989105225, 116.391998291016, 1.0, 0.0, 0.0, 0.136465519666672, 82.8056945800781, 4.18552827835083
-InChI%3D1S%2FC7H10N2.2ClH%2Fc1-5-2-3-6%288%294-7%285%299%3B%3B%2Fh2-4H%2C8-9H2%2C1H3%3B2%2A1H, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 26.8815155029297, 12.6384840011597, , 2.0, , , , , 
-InChI%3D1S%2FC20H14N2O10S3.3Na%2Fc23-16-7-5-11-9-12%2833%2824%2C25%2926%2910-18%2835%2830%2C31%2932%2919%2811%2920%2816%2922-21-15-6-8-17%2834%2827%2C28%2929%2914-4-2-1-3-13%2814%2915%3B%3B%3B%2Fh1-10%2C23H%2C%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%28H%2C30%2C31%2C32%29%3B%3B%3B%2Fq%3B3%2A%2B1%2Fp-3%2Fb22-21%2B%3B%3B%3B, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 132.254730224609, 35.6472778320312, , 11.0, , , , , 
-InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3, 1.0, 0.788130581378937, 13.3195419311523, 83.5862503051758, 215.817398071289, 0.279175788164139, 0.720824182033539, 132.231155395508, -36.5953979492188, 94.4883041381836, -0.122227624058723, 0.315588355064392, 131.083709716797, -16.1139621734619, 12.4927682876587, 63.4344749450684, -0.0538201928138733, 0.041725505143404, 28.6067314147949, 25.026029586792, 235.969177246094, -10.9567956924438, -4.8245792388916, 0.904455125331879, 8.32275772094727, 6.559241771698, 64.6165161132812, 1.0, 0.211869403719902, 32.2230758666992, 0.478992462158203, 28.2901439666748, 3.74038052558899
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-InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H, 1.0, 0.988217830657959, 2.20609831809998, 229.151428222656, 235.800323486328, 0.492849916219711, 0.507150113582611, 6.64889430999756, -194.774566650391, 200.426010131836, -0.418913513422012, 0.431068390607834, 395.200561523438, -15.6434535980225, 15.7261877059937, 5.47815227508545, -0.0336453281342983, 0.0338232666254044, 31.3696403503418, 106.544357299805, 459.473602294922, -90.5607757568359, -7.27345132827759, 0.30444672703743, 30.7899303436279, 12.55006980896, 109.635772705078, 1.0, 0.0117821954190731, 1.6678055524826, 0.157541796565056, 93.1884231567383, 7.31191825866699
-InChI%3D1S%2FC4H10N2O2%2Fc1-6%285-8%293-2-4-7%2Fh7H%2C2-4H2%2C1H3, 1.0, 0.782966256141663, 11.5836849212646, 84.3083953857422, 258.730407714844, 0.245769262313843, 0.754230737686157, 174.422012329102, -59.5658111572266, 182.798965454102, -0.173641622066498, 0.532881319522858, 242.364776611328, -20.3317832946777, 17.1161556243896, 74.4510040283203, -0.0592696331441402, 0.0498956851661205, 37.447940826416, 28.9210510253906, 268.587799072266, -20.433385848999, -6.97459077835083, 0.560007393360138, 17.5119304656982, 12.55006980896, 88.7545700073242, 2.0, 0.217033758759499, 19.8397769927979, 0.296840280294418, 62.7071380615234, 5.87150573730469
-InChI%3D1S%2FC6H10N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh3-4H2%2C1-2H3, 0.0, 0.765896677970886, 0.4924575984478, 142.40022277832, 213.55012512207, 0.400056421756744, 0.599943578243256, 71.14990234375, -125.77375793457, 188.616287231445, -0.353346347808838, 0.529894948005676, 314.390045166016, -30.3896369934082, 8.77188491821289, 83.3291549682617, -0.0853760540485382, 0.0246435645967722, 39.1615219116211, 50.6874084472656, 272.621185302734, -44.7692108154297, -10.8172016143799, 0.337355077266693, 21.8339290618896, 14.4660701751709, 76.0132369995117, 3.0, 0.234103322029114, 12.7683534622192, 0.164832636713982, 67.1380310058594, 3.12235546112061
-InChI%3D1S%2FC20H14N2O10S3.3Na%2Fc23-20-18%2835%2830%2C31%2932%2910-11-9-12%2833%2824%2C25%2926%295-6-13%2811%2919%2820%2922-21-16-7-8-17%2834%2827%2C28%2929%2915-4-2-1-3-14%2815%2916%3B%3B%3B%2Fh1-10%2C23H%2C%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%28H%2C30%2C31%2C32%29%3B%3B%3B%2Fq%3B3%2A%2B1%2Fp-3%2Fb22-21%2B%3B%3B%3B, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 132.254730224609, 35.6472778320312, , 11.0, , , , , 
-InChI%3D1S%2FC5H3Cl3O3%2Fc6-2-1%283%287%298%294%289%2911-5%282%2910%2Fh3-4%2C9H, 1.0, 0.602043092250824, 2.17636251449585, 272.176177978516, 91.5619506835938, 0.748275101184845, 0.251724898815155, -180.614227294922, -354.205810546875, 119.157279968262, -0.97379344701767, 0.327590852975845, 473.363067626953, -51.4743881225586, 15.6669998168945, 144.752090454102, -0.141514956951141, 0.043072197586298, 67.1413879394531, 99.000846862793, 218.986022949219, -128.838150024414, -18.7231960296631, 0.279274672269821, 19.7463798522949, 7.4136209487915, 33.3045692443848, 3.0, 0.397956907749176, 6.89562034606934, 0.2411278039217, 43.3420448303223, 5.69868516921997
-InChI%3D1S%2FC7H5N3O3S%2Fc8-7-9-4%283-14-7%295-1-2-6%2813-5%2910%2811%2912%2Fh1-3H%2C%28H2%2C8%2C9%29, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 25.5935516357422, 13.7644491195679, , 2.0, , , , , 
-InChI%3D1S%2FC8H11NO%2Fc1-6-5-7%2810-2%293-4-8%286%299%2Fh3-5H%2C9H2%2C1-2H3, 1.0, 0.877004981040955, 3.57177710533142, 101.086982727051, 330.096649169922, 0.234440669417381, 0.765559315681458, 229.009674072266, -82.7536087036133, 270.229553222656, -0.191921964287758, 0.626715660095215, 352.983154296875, -19.2963180541992, 18.7757873535156, 53.033447265625, -0.0447519682347775, 0.0435447581112385, 38.0721054077148, 43.5870552062988, 378.150207519531, -35.6820030212402, -8.32025623321533, 0.425884425640106, 23.316722869873, 13.2812767028809, 142.332290649414, 1.0, 0.122995033860207, 15.1730098724365, 0.151603564620018, 116.518562316895, 8.09581279754639
-InChI%3D1S%2FC8H14ClN5%2Fc1-4-10-7-12-6%289%2913-8%2814-7%2911-5%282%293%2Fh5H%2C4H2%2C1-3H3%2C%28H2%2C10%2C11%2C12%2C13%2C14%29, 3.0, 0.926829874515533, 0.0, 122.95817565918, 346.782653808594, 0.261757493019104, 0.738242506980896, 223.824462890625, -178.536895751953, 503.532989501953, -0.380075335502625, 1.07193791866302, 682.069885253906, -18.4330463409424, 16.6694679260254, 34.3709869384766, -0.0392408892512321, 0.0354865230619907, 35.1025161743164, 57.758472442627, 435.369842529297, -83.8660659790039, -8.65875434875488, 0.18077327311039, 32.4286880493164, 22.5313129425049, 162.897964477539, 5.0, 0.0731701105833054, 2.28941130638123, 0.120288386940956, 236.529998779297, 7.83032941818237
-InChI%3D1S%2FC6H12N2O3%2Fc1-8%282%297-5%289%293-4-6%2810%2911%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C9%29%28H%2C10%2C11%29, 2.0, 0.635812401771545, 1.17341792583466, 111.237190246582, 253.314468383789, 0.305134236812592, 0.694865763187408, 142.077270507812, -147.653427124023, 336.243194580078, -0.405027449131012, 0.922347187995911, 483.896636962891, -32.0236473083496, 16.6415328979492, 132.765182495117, -0.0878439247608185, 0.0456493087112904, 48.6651802062988, 40.5517044067383, 231.786483764648, -53.8273010253906, -11.6742744445801, 0.261501520872116, 23.167516708374, 16.0564842224121, 92.3462142944336, 5.0, 0.364187568426132, 8.90693092346191, 0.195351764559746, 122.578018188477, 6.06669807434082
-InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3, 2.0, 0.817153871059418, 4.6686315536499, 122.242935180664, 264.763122558594, 0.31586828827858, 0.684131741523743, 142.52018737793, -152.6240234375, 330.564819335938, -0.394371151924133, 0.854159295558929, 483.188842773438, -25.5225143432617, 18.0593662261963, 70.7625503540039, -0.0659486204385757, 0.046664297580719, 43.5818786621094, 47.3087577819824, 316.243499755859, -59.0664253234863, -9.87736797332764, 0.315897226333618, 24.9343090057373, 18.1076908111572, 102.46492767334, 3.0, 0.18284609913826, 10.0129861831665, 0.168025285005569, 127.930587768555, 6.98908376693726
-InChI%3D1S%2FC4H8N2O2%2Fc1-4%287%293-6%282%295-8%2Fh3H2%2C1-2H3, 0.0, 0.855629026889801, 0.828280091285706, 102.770980834961, 221.724548339844, 0.316709995269775, 0.683290004730225, 118.953567504883, -60.7738723754883, 131.11735534668, -0.187287241220474, 0.40406522154808, 191.891235351562, -20.1302108764648, 8.33055686950684, 46.8477325439453, -0.0620354078710079, 0.0256723314523697, 28.4607677459717, 33.3487205505371, 277.647796630859, -19.7208499908447, -6.53216361999512, 0.503872752189636, 16.1783447265625, 11.3216562271118, 71.9486236572266, 2.0, 0.144370973110199, 23.6052951812744, 0.246145218610764, 42.5469970703125, 2.70322847366333
-InChI%3D1S%2FC7H16N4O2.HNO2%2Fc1-4-8-7%2812%2911%289-13%296-5-10%282%293%3B2-1-3%2Fh4-6H2%2C1-3H3%2C%28H%2C8%2C12%29%3B%28H%2C2%2C3%29, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 32.3634796142578, 23.1405181884766, , 4.0, , , , , 
-InChI%3D1S%2FC14H9NO2%2Fc15-8-5-6-11-12%287-8%2914%2817%2910-4-2-1-3-9%2810%2913%2811%2916%2Fh1-7H%2C15H2, 1.0, 0.804766058921814, 1.2515424489975, 181.496109008789, 261.670654296875, 0.409543603658676, 0.590456426143646, 80.1745376586914, -222.427017211914, 320.682464599609, -0.501903653144836, 0.723615825176239, 543.109497070312, -29.9001865386963, 20.9217052459717, 86.5211791992188, -0.0674693807959557, 0.0472095534205437, 50.821891784668, 80.4330444335938, 356.645568847656, -98.5722579956055, -13.250768661499, 0.246772617101669, 33.3451385498047, 11.0948629379272, 115.963729858398, 3.0, 0.195233911275864, 4.69516229629517, 0.158551320433617, 142.115814208984, 9.271803855896
-InChI%3D1S%2FC4H8N2OS%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2, 0.0, 1.0, 1.7248330116272, 99.9518737792969, 222.598693847656, 0.309879690408707, 0.690120279788971, 122.646820068359, -44.9704856872559, 100.151908874512, -0.139421507716179, 0.310499876737595, 145.12239074707, -14.5212926864624, 8.56941699981689, 0.0, -0.0450202040374279, 0.0265676714479923, 23.0907096862793, 32.2395324707031, 322.550567626953, -14.5052547454834, -4.68385124206543, 0.358532518148422, 18.2763442993164, 12.6436557769775, 71.7993316650391, 1.0, 0.0, 2.39704155921936, 0.101787149906158, 32.3040542602539, 2.76407027244568
-InChI%3D1S%2FC11H7N3O3%2Fc15-14%2816%2911-5-4-9%2817-11%298-7-12-10-3-1-2-6-13%288%2910%2Fh1-7H, 0.0, 0.891436994075775, 1.48775994777679, 228.333877563477, 249.228530883789, 0.478123635053635, 0.521876394748688, 20.8946590423584, -278.121215820312, 303.571868896484, -0.582376658916473, 0.635669529438019, 581.693054199219, -26.0750255584717, 18.9072380065918, 51.8456153869629, -0.0546002462506294, 0.0395911335945129, 44.9822616577148, 109.043678283691, 425.716796875, -132.820236206055, -12.4524526596069, 0.244399026036263, 29.7335510253906, 14.1244487762451, 119.022178649902, 2.0, 0.108563013374805, 0.518266439437866, 0.193092212080956, 144.974517822266, 9.02938556671143
-InChI%3D1S%2FC6H12N2O%2Fc1-6-4-2-3-5-8%286%297-9%2Fh6H%2C2-5H2%2C1H3%2Ft6-%2Fm0%2Fs1, 0.0, 1.0, 1.50795078277588, 61.0292320251465, 286.717376708984, 0.175499141216278, 0.824500858783722, 225.68815612793, -28.1950397491455, 132.461242675781, -0.0810792669653893, 0.380913108587265, 160.656295776367, -7.25484943389893, 8.74462413787842, 0.0, -0.0208624582737684, 0.0251465402543545, 15.9994735717773, 21.2227096557617, 347.746612548828, -9.80473041534424, -2.52284932136536, 0.346630871295929, 21.5635166168213, 14.7364835739136, 99.7050018310547, 1.0, 0.0, 2.14391565322876, 0.104547642171383, 46.0629501342773, 3.04091358184814
-InChI%3D1S%2FC12H10Cl2N2%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%2Fh1-6H%2C15-16H2, 2.0, 0.920279026031494, 2.45804333686829, 246.707901000977, 226.18034362793, 0.521704435348511, 0.478295534849167, -20.5275592803955, -280.088531494141, 256.783477783203, -0.592293262481689, 0.543010950088501, 536.872009277344, -30.8426532745361, 20.5568943023682, 37.6991119384766, -0.06522186845541, 0.0434709340333939, 51.3995475769043, 116.665260314941, 435.189117431641, -132.450561523438, -14.5851278305054, 0.264956295490265, 34.3479309082031, 10.4520702362061, 106.958023071289, 2.0, 0.0797209739685059, 4.99430847167969, 0.10936301201582, 121.429893493652, 9.72111320495605
-InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H, 0.0, 1.0, 5.38303184509277, 91.7042694091797, 167.065704345703, 0.354385256767273, 0.645614743232727, 75.361442565918, -33.9809150695801, 61.9060173034668, -0.13131707906723, 0.239231839776039, 95.8869323730469, -5.66348600387573, 10.3176698684692, 0.0, -0.0218861792236567, 0.0398719720542431, 15.9811553955078, 23.7303104400635, 258.769989013672, -8.79324054718018, -1.46554017066956, 0.16666667163372, 14.5607576370239, 6.559241771698, 43.2315902709961, 0.0, 0.0, 2.26430296897888, 0.16666667163372, 16.0194187164307, 2.66990303993225
-InChI%3D1S%2FC11H11N5%2Fc1-6-5-13-7-3-4-8-10%289%287%2914-6%2915-11%2812%2916%288%292%2Fh3-5H%2C1-2H3%2C%28H2%2C12%2C15%29, 2.0, 0.832205712795258, 5.55351591110229, 133.744506835938, 331.402038574219, 0.287531971931458, 0.712468028068542, 197.657516479492, -176.898773193359, 438.332885742188, -0.380307644605637, 0.942354381084442, 615.231689453125, -21.2844829559326, 24.7891960144043, 78.048942565918, -0.0457586608827114, 0.0532933063805103, 46.0736808776855, 62.2107925415039, 387.097595214844, -82.2838516235352, -9.90040397644043, 0.210286468267441, 32.1947212219238, 17.3052768707275, 154.150497436523, 5.0, 0.167794317007065, 6.89330720901489, 0.143205851316452, 203.889022827148, 11.5306091308594
-InChI%3D1S%2FC10H14N5O4%2Fc1-5-3-15%2810%2818%2912-9%285%2917%298-2-6%2813-14-11%297%284-16%2919-8%2Fh3%2C6-8%2C11%2C16H%2C2%2C4H2%2C1H3%2C%28H%2C12%2C17%2C18%29%2Ft6-%2C7%3F%2C8%2B%2Fm0%2Fs1, 4.0, 0.636542916297913, 0.556745886802673, 198.863708496094, 353.157653808594, 0.360246390104294, 0.639753580093384, 154.2939453125, -451.063079833984, 801.032958984375, -0.817111611366272, 1.45109045505524, 1252.09594726562, -51.2470626831055, 31.0464534759521, 200.636093139648, -0.0928352847695351, 0.0562413968145847, 82.2935180664062, 109.777015686035, 351.385284423828, -248.996459960938, -28.2894725799561, 0.17326432466507, 38.3102722167969, 25.1917266845703, 194.950576782227, 9.0, 0.36345711350441, 5.16628694534302, 0.122939802706242, 442.187286376953, 17.1383056640625
-InChI%3D1S%2FC12H7Cl2NO3%2Fc13-8-1-6-12%2811%2814%297-8%2918-10-4-2-9%283-5-10%2915%2816%2917%2Fh1-7H, 0.0, 0.961513459682465, 0.78325092792511, 365.000610351562, 241.034439086914, 0.602276384830475, 0.397723585367203, -123.966178894043, -367.298370361328, 242.551803588867, -0.606067836284637, 0.400227338075638, 609.850158691406, -39.454776763916, 17.3468894958496, 23.3241901397705, -0.0651031211018562, 0.0286235734820366, 56.8016662597656, 221.203170776367, 582.710876464844, -222.595687866211, -23.9109783172607, 0.305923640727997, 33.6535491943359, 11.6644487380981, 146.075317382812, 0.0, 0.0384865365922451, 7.13542079925537, 0.125786408782005, 146.994903564453, 10.5128231048584
-InChI%3D1S%2FC6H4N4O3S%2Fc7-6-9-8-5%2814-6%293-1-2-4%2813-3%2910%2811%2912%2Fh1-2H%2C%28H2%2C7%2C9%29, 3.0, 0.813855409622192, 1.27021670341492, 238.614837646484, 176.011428833008, 0.575493812561035, 0.424506217241287, -62.6034164428711, -323.332366943359, 238.502304077148, -0.779816389083862, 0.575222373008728, 561.834655761719, -33.563907623291, 22.1566486358643, 77.1804428100586, -0.0809497833251953, 0.0534376390278339, 55.7205543518066, 98.9359817504883, 337.445831298828, -134.062088012695, -13.9164772033691, 0.213544145226479, 24.2667579650879, 12.0112419128418, 72.9789581298828, 3.0, 0.186144590377808, 1.15548408031464, 0.173348411917686, 98.8893203735352, 9.18672847747803
-InChI%3D1S%2FC5H11N3O2%2Fc1-4%282%293-8%287-10%295%286%299%2Fh4H%2C3H2%2C1-2H3%2C%28H2%2C6%2C9%29, 2.0, 0.784992873668671, 0.983333110809326, 117.582122802734, 244.817611694336, 0.324454218149185, 0.675545752048492, 127.235481262207, -114.973785400391, 239.386795043945, -0.317256808280945, 0.660560071468353, 354.360565185547, -21.14013671875, 15.2324295043945, 77.9185256958008, -0.0583337545394897, 0.0420321226119995, 36.3725662231445, 42.6117286682129, 284.481201171875, -41.6664695739746, -7.66118001937866, 0.342060387134552, 21.0387229919434, 13.6432771682739, 88.7218322753906, 3.0, 0.215007126331329, 5.36756181716919, 0.238686218857765, 86.7537078857422, 5.52022838592529
-InChI%3D1S%2FC16H12ClNO2%2Fc1-2-16%2820-15%2818%2919%2C12-6-4-3-5-7-12%2913-8-10-14%2817%2911-9-13%2Fh1%2C3-11H%2C%28H2%2C18%2C19%29, 2.0, 0.822999060153961, 0.668746888637543, 313.179534912109, 301.898468017578, 0.509170413017273, 0.490829586982727, -11.2810497283936, -514.979858398438, 496.429748535156, -0.837259411811829, 0.807100474834442, 1011.40960693359, -40.7028541564941, 30.775426864624, 108.86939239502, -0.066175103187561, 0.0500349998474121, 71.4782791137695, 192.629837036133, 506.208618164062, -316.752777099609, -25.0354290008545, 0.198138728737831, 41.0455169677734, 15.4544839859009, 185.691116333008, 3.0, 0.177000939846039, 1.55176067352295, 0.168767645955086, 305.343017578125, 18.9292888641357
-InChI%3D1S%2FC14H16N2.2ClH%2Fc1-9-7-11%283-5-13%289%2915%2912-4-6-14%2816%2910%282%298-12%3B%3B%2Fh3-8H%2C15-16H2%2C1-2H3%3B2%2A1H, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 43.2022743225098, 19.1977252960205, , 2.0, , , , , 
-InChI%3D1S%2FC5H10N2O2%2Fc1-2-3-7%286-9%294-5-8%2Fh2%2C8H%2C1%2C3-5H2, 1.0, 0.85961127281189, 6.75929641723633, 111.571388244629, 267.362945556641, 0.294434607028961, 0.705565392971039, 155.791564941406, -95.7553939819336, 229.462463378906, -0.252696543931961, 0.605546772480011, 325.217864990234, -20.1083602905273, 17.3040294647217, 53.1981010437012, -0.0530655533075333, 0.045664981007576, 37.4123916625977, 42.2782287597656, 325.736236572266, -36.2850074768066, -7.61974859237671, 0.459469020366669, 19.2719306945801, 12.55006980896, 101.313003540039, 2.0, 0.140388712286949, 11.7373847961426, 0.244436547160149, 86.9512023925781, 6.55709075927734
-InChI%3D1S%2FC8H15N3O7%2Fc1-11%2810-17%298%2816%299-4-6%2814%295%2813%293%282-12%2918-7%284%2915%2Fh3-7%2C12-15H%2C2H2%2C1H3%2C%28H%2C9%2C16%29%2Ft3%3F%2C4%3F%2C5-%2C6-%2C7%2B%2Fm1%2Fs1, 5.0, 0.421157449483871, 1.00159704685211, 227.787307739258, 304.427795410156, 0.427998572587967, 0.572001397609711, 76.6404876708984, -608.947448730469, 813.831726074219, -1.14417552947998, 1.5291405916214, 1422.77917480469, -70.2784652709961, 37.5679626464844, 308.068725585938, -0.13204899430275, 0.0705879330635071, 107.84642791748, 121.231842041016, 224.146347045898, -324.091033935547, -37.403263092041, 0.147000581026077, 32.9958953857422, 21.2521057128906, 162.021057128906, 8.0, 0.578842520713806, 2.83001279830933, 0.088468462228775, 433.133514404297, 19.9942359924316
-InChI%3D1S%2FC12H26N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-14%282%2913-15%2Fh3-12H2%2C1-2H3, 0.0, 1.0, 1.0930370092392, 62.2527046203613, 509.395477294922, 0.108900383114815, 0.891099631786346, 447.142761230469, -51.4780769348145, 421.229888916016, -0.090052030980587, 0.736869156360626, 472.707977294922, -7.63804769515991, 14.8860235214233, 0.0, -0.0133614484220743, 0.0260405335575342, 22.5240707397461, 35.5866432189941, 571.648193359375, -29.4273490905762, -4.36627626419067, 0.200716927647591, 41.4586181640625, 30.0413818359375, 291.194976806641, 1.0, 0.0, 1.61977887153625, 0.0543557703495026, 240.795303344727, 8.5095682144165
-InChI%3D1S%2FC20H16O8%2Fc1-23-10-7-11-13%288-4-5-26-20%288%2927-11%2918-15%2810%2916%2822%2914-9%2821%296-12%2824-2%2917%2825-3%2919%2814%2928-18%2Fh4-8%2C20-21H%2C1-3H3, 1.0, 0.7283815741539, 1.78932046890259, 157.584487915039, 483.660583496094, 0.245747670531273, 0.754252314567566, 326.076110839844, -421.401153564453, 1293.37048339844, -0.657160818576813, 2.01696753501892, 1714.77160644531, -46.1647453308105, 34.8051147460938, 174.173965454102, -0.071992352604866, 0.0542773976922035, 80.969856262207, 101.050277709961, 467.071105957031, -270.221405029297, -29.6029148101807, 0.134424090385437, 52.2846870422363, 29.9453125, 310.144989013672, 2.0, 0.271618396043777, 4.37185621261597, 0.0814542099833488, 829.367492675781, 22.3186073303223
-InChI%3D1S%2FC12H11N3.C2H4O2%2Fc1-7-12-8-4-2-3-5-9%288%2915-10%2812%296-11%2813%2914-7%3B1-2%283%294%2Fh2-6%2C15H%2C1H3%2C%28H2%2C13%2C14%29%3B1H3%2C%28H%2C3%2C4%29, 3.0, , , , , , , , , , , , , , , , , , , , , , , , 40.2126884460449, 20.4293117523193, , 5.0, , , , , 
-InChI%3D1S%2FC7H7NO%2Fc1-6-4-2-3-5-7%286%298-9%2Fh2-5H%2C1H3, 0.0, 1.0, 1.57560729980469, 160.920349121094, 181.603500366211, 0.469807744026184, 0.530192255973816, 20.683141708374, -71.6095123291016, 80.8134994506836, -0.209064304828644, 0.235935404896736, 152.423004150391, -11.6021003723145, 9.04196929931641, 0.0, -0.0338723883032799, 0.0263980720192194, 20.6440696716309, 55.1190567016602, 342.523834228516, -24.5279636383057, -3.97399592399597, 0.323617517948151, 18.8895511627197, 8.61044883728027, 62.2035255432129, 0.0, 0.0, 15.5478296279907, 0.248024508357048, 27.6805515289307, 3.09709000587463
-InChI%3D1S%2FC4H9NO2%2Fc1-4%282%293-7-5-6%2Fh4H%2C3H2%2C1-2H3, 0.0, 0.94858193397522, 6.09828090667725, 98.4960098266602, 219.978698730469, 0.309274196624756, 0.690725803375244, 121.482696533203, -46.7890014648438, 104.49747467041, -0.146915912628174, 0.328118592500687, 151.286483764648, -12.4560251235962, 8.92040061950684, 16.3753471374512, -0.039111502468586, 0.0280097611248493, 21.3764247894287, 31.3684864044189, 302.099365234375, -14.9011144638062, -3.96692895889282, 0.455862015485764, 15.7451372146606, 11.3928632736206, 70.0576553344727, 0.0, 0.0514180473983288, 7.46489906311035, 0.215010657906532, 33.2798042297363, 2.84092211723328
-InChI%3D1S%2FC19H16ClNO4%2Fc1-11-15%2810-18%2822%2923%2916-9-14%2825-2%297-8-17%2816%2921%2811%2919%2824%2912-3-5-13%2820%296-4-12%2Fh3-9H%2C10H2%2C1-2H3%2C%28H%2C22%2C23%29, 1.0, 0.743030190467834, 1.93101072311401, 274.595153808594, 398.388671875, 0.408026397228241, 0.591973602771759, 123.793502807617, -519.92578125, 754.319641113281, -0.772567987442017, 1.12085855007172, 1274.24536132812, -48.70361328125, 29.9339179992676, 172.936538696289, -0.0723696649074554, 0.0444794036448002, 78.6375350952148, 184.798110961914, 500.047302246094, -349.901641845703, -32.7767448425293, 0.184134274721146, 51.9302749633789, 25.909725189209, 268.109130859375, 4.0, 0.256969809532166, 3.60782742500305, 0.137058079242706, 507.644927978516, 20.1450443267822
-InChI%3D1S%2FC9H13ClN6%2Fc1-4-12-7-13-6%2810%2914-8%2815-7%2916-9%282%2C3%295-11%2Fh4H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 4.0, 0.835628390312195, 0.0366172306239605, 174.054412841797, 317.262664794922, 0.354260861873627, 0.645739138126373, 143.208251953125, -306.121856689453, 557.992370605469, -0.623063743114471, 1.13570725917816, 864.1142578125, -30.0067806243896, 16.1491603851318, 80.7585678100586, -0.0610741637647152, 0.0328691229224205, 46.1559410095215, 85.5159072875977, 410.558502197266, -150.402893066406, -14.7428436279297, 0.154014647006989, 35.9554824829102, 23.6245193481445, 155.876571655273, 6.0, 0.164371579885483, 0.571549355983734, 0.0970291495323181, 274.151184082031, 7.93435859680176
-InChI%3D1S%2FC3H4O2%2Fc4-3-1-2-5-3%2Fh1-2H2, 0.0, 0.573858976364136, 21.4388103485107, 91.103889465332, 233.456069946289, 0.280699729919434, 0.719300270080566, 142.352188110352, -52.9073448181152, 135.576446533203, -0.16301254928112, 0.41772386431694, 188.483779907227, -25.9195728302002, 22.5687866210938, 138.308319091797, -0.0798606649041176, 0.069536566734314, 48.4883575439453, 29.5686740875244, 186.251647949219, -17.1716060638428, -8.41245555877686, 0.542436063289642, 9.55117225646973, 7.24682807922363, 75.7704925537109, 2.0, 0.426141023635864, 18.8310680389404, 0.454169511795044, 44.0026817321777, 7.32492399215698
-InChI%3D1S%2FC10H13N3O%2Fc14-12-13-7-2-1-5-10%2813%299-4-3-6-11-8-9%2Fh3-4%2C6%2C8%2C10H%2C1-2%2C5%2C7H2, 0.0, 0.936500549316406, 1.28691840171814, 102.444435119629, 336.330932617188, 0.233478084206581, 0.76652193069458, 233.886489868164, -79.5542678833008, 261.181213378906, -0.181309789419174, 0.595250368118286, 340.735473632812, -14.5784511566162, 14.2478036880493, 27.8619995117188, -0.0332253202795982, 0.0324717499315739, 28.8262538909912, 44.9500923156738, 410.913360595703, -34.9064521789551, -6.39666509628296, 0.339541614055634, 30.3703098297119, 17.1496906280518, 147.573715209961, 2.0, 0.0634994655847549, 9.46030807495117, 0.107928685843945, 114.599876403809, 6.25158500671387
-InChI%3D1S%2FC10H8N4%2Fc11-8-5-4-7-10%2813-8%2914-6-2-1-3-9%2814%2912-7%2Fh1-6H%2C%28H2%2C11%2C13%29, 3.0, 0.88727867603302, 5.70879507064819, 70.7209167480469, 374.770629882812, 0.158748045563698, 0.841251969337463, 304.049713134766, -89.1369857788086, 472.362731933594, -0.200086817145348, 1.06031811237335, 561.499755859375, -15.2597503662109, 21.5963172912598, 50.2163963317871, -0.0342537388205528, 0.0484775044023991, 36.8560676574707, 31.5055694580078, 395.275146484375, -39.709774017334, -6.7980899810791, 0.234623789787292, 34.0022735595703, 22.977725982666, 166.957153320312, 4.0, 0.112721316516399, 2.14908504486084, 0.149167090654373, 210.433609008789, 9.6209774017334
-InChI%3D1S%2FC2H5NO2%2Fc3-1-2%284%295%2Fh1%2C3H2%2C%28H%2C4%2C5%29, 2.0, 0.504451096057892, 2.63697695732117, 97.30419921875, 166.098846435547, 0.369411826133728, 0.630588173866272, 68.7946548461914, -89.2293014526367, 152.314956665039, -0.338755756616592, 0.578258097171783, 241.544250488281, -28.796142578125, 19.4197521209717, 130.529098510742, -0.109323494136333, 0.0737263783812523, 48.2158966064453, 25.6302223205566, 132.873962402344, -23.5032691955566, -7.58499145507812, 0.360448062419891, 9.55796527862549, 5.76403522491455, 43.7509422302246, 3.0, 0.495548903942108, 10.0085220336914, 0.297341287136078, 40.1202239990234, 5.11522197723389
-InChI%3D1S%2FC8H11N3%2Fc1-11%282%2910-9-8-6-4-3-5-7-8%2Fh3-7H%2C1-2H3%2Fb10-9%2B, 0.0, 1.0, 0.441739171743393, 87.6917343139648, 287.780731201172, 0.233550384640694, 0.766449630260468, 200.088989257812, -58.7340049743652, 192.749237060547, -0.156426936388016, 0.513351202011108, 251.48323059082, -6.42711400985718, 14.2086763381958, 0.0, -0.0171174053102732, 0.0378421284258366, 20.6357917785645, 32.9258308410645, 375.472442626953, -22.0530014038086, -2.41320419311523, 0.279443323612213, 24.7147235870361, 14.0052766799927, 108.053733825684, 3.0, 0.0, 1.82712340354919, 0.130058914422989, 72.3720245361328, 5.3349666595459
-InChI%3D1S%2FC9H17NO2%2Fc10-7-9%286-8%2811%2912%294-2-1-3-5-9%2Fh1-7%2C10H2%2C%28H%2C11%2C12%29, 2.0, 0.711482048034668, 0.825266480445862, 100.706825256348, 275.467742919922, 0.267713010311127, 0.732286989688873, 174.76091003418, -119.479461669922, 326.817321777344, -0.317617058753967, 0.868791699409485, 446.296813964844, -27.5991497039795, 15.8368301391602, 108.533126831055, -0.0733679309487343, 0.0420996844768524, 43.4359817504883, 37.8833465576172, 267.641448974609, -44.9451370239258, -10.382098197937, 0.279419660568237, 29.8794803619385, 18.8825187683105, 103.623954772949, 3.0, 0.288517981767654, 8.18832302093506, 0.218680948019028, 122.940368652344, 5.95741271972656
-InChI%3D1S%2FC5H12N2O3%2Fc1-5%289%294-7%286-10%292-3-8%2Fh5%2C8-9H%2C2-4H2%2C1H3, 2.0, 0.721575260162354, 2.72733068466187, 113.112236022949, 244.223251342773, 0.316543519496918, 0.683456480503082, 131.111022949219, -125.722030639648, 271.449371337891, -0.351831912994385, 0.759648442268372, 397.17138671875, -29.7101459503174, 16.9749813079834, 99.4910507202148, -0.083143562078476, 0.0475043244659901, 46.6851272583008, 40.4190139770508, 257.844451904297, -44.9249420166016, -10.6164894104004, 0.354784846305847, 21.4075164794922, 14.7364835739136, 87.2696380615234, 3.0, 0.278424769639969, 11.0031137466431, 0.189088404178619, 96.9984893798828, 6.06576347351074
-InChI%3D1S%2FC18H25NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C11%2C14-15%2C20%2C23H%2C5-10H2%2C1-2H3%2Ft11-%2C14%3F%2C15-%2C18-%2Fm1%2Fs1, 2.0, 0.779126286506653, 0.0, 156.139785766602, 465.296905517578, 0.251256138086319, 0.748743832111359, 309.157104492188, -390.665283203125, 1164.18334960938, -0.628648579120636, 1.87337410449982, 1554.8486328125, -34.2960090637207, 25.9936428070068, 137.259017944336, -0.0551882609724998, 0.0418283045291901, 60.2896537780762, 97.0309906005859, 484.177673339844, -242.773742675781, -21.3127994537354, 0.156761556863785, 54.2618255615234, 35.0581741333008, 289.152557373047, 7.0, 0.220873683691025, 4.64743137359619, 0.118500828742981, 723.466247558594, 16.1534042358398
-InChI%3D1S%2FC13H18Cl2N2O2%2Fc14-5-7-17%288-6-15%2911-3-1-10%282-4-11%299-12%2816%2913%2818%2919%2Fh1-4%2C12H%2C5-9%2C16H2%2C%28H%2C18%2C19%29%2Ft12-%2Fm0%2Fs1, 2.0, 0.830385982990265, 0.673698782920837, 241.208648681641, 380.855072021484, 0.387755513191223, 0.612244486808777, 139.646438598633, -429.156829833984, 677.614868164062, -0.689892053604126, 1.08930134773254, 1106.77172851562, -46.663948059082, 27.7982959747314, 105.510726928711, -0.075014740228653, 0.0446872152388096, 74.4622421264648, 150.047149658203, 516.552978515625, -266.962890625, -29.0279502868652, 0.185648679733276, 43.046272277832, 22.795726776123, 236.916137695312, 4.0, 0.169614017009735, 4.42527198791504, 0.155233219265938, 421.519622802734, 17.2923126220703
-InChI%3D1S%2FC5H10N2O3%2Fc1-5%289%294-7%286-10%292-3-8%2Fh8H%2C2-4H2%2C1H3, 1.0, 0.723374783992767, 5.94381713867188, 120.727027893066, 223.322052001953, 0.350900620222092, 0.649099409580231, 102.595016479492, -118.393173217773, 219.004852294922, -0.344117105007172, 0.636551201343536, 337.398040771484, -27.8881874084473, 14.6034955978394, 95.1726455688477, -0.0810587480664253, 0.0424459651112556, 42.4916839599609, 41.5360221862793, 248.876434326172, -40.7330627441406, -9.59490489959717, 0.402441173791885, 20.0739307403564, 13.5080699920654, 76.833740234375, 3.0, 0.27662518620491, 8.49265098571777, 0.21408998966217, 75.3484191894531, 5.02431917190552
-InChI%3D1S%2FC9H8N4O2S%2Fc1-13%2812-15%299%2814%2911-8-10-6-4-2-3-5-7%286%2916-8%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%2C14%29, 2.0, 0.909998416900635, 1.56077313423157, 206.538879394531, 274.504150390625, 0.429356336593628, 0.570643663406372, 67.9652709960938, -253.448089599609, 336.849670410156, -0.526871979236603, 0.700248539447784, 590.297729492188, -21.6231594085693, 19.1560344696045, 43.2946395874023, -0.0449505709111691, 0.0398218743503094, 40.7791938781738, 99.3540878295898, 437.748382568359, -121.91943359375, -10.4016704559326, 0.272187381982803, 30.7451362609863, 15.7168626785278, 132.048309326172, 4.0, 0.0900015980005264, 5.88345527648926, 0.197726115584373, 162.039184570312, 9.21487712860107
-InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3, 0.0, 0.833146154880524, 0.507989287376404, 44.7879028320312, 180.853073120117, 0.198491886258125, 0.801508128643036, 136.065170288086, -18.3270015716553, 74.0042343139648, -0.0812219530344009, 0.327973395586014, 92.3312377929688, -14.2936382293701, 8.18961048126221, 37.6490592956543, -0.0633468180894852, 0.036294873803854, 22.483247756958, 10.1059865951538, 187.991928100586, -4.13532257080078, -3.22523045539856, 0.910916030406952, 10.0827579498291, 8.47524166107178, 40.8078651428223, 1.0, 0.166853815317154, 34.2951316833496, 0.192297324538231, 16.6983890533447, 1.8479118347168
-InChI%3D1S%2FC12H4Cl4O2%2Fc13-5-1-9-10%282-6%285%2914%2918-12-4-8%2816%297%2815%293-11%2812%2917-9%2Fh1-4H, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 34.1111717224121, 9.88482761383057, , 0.0, , , , , 
-InChI%3D1S%2FC15H18N4O%2Fc1-3-18%284-2%2915-7-5-13%286-8-15%2916-17-14-9-11-19%2820%2912-10-14%2Fh5-12H%2C3-4H2%2C1-2H3%2Fb17-16%2B, 0.0, 0.997913241386414, 0.993402481079102, 158.548522949219, 434.239898681641, 0.267462223768234, 0.732537746429443, 275.691375732422, -193.136566162109, 528.971252441406, -0.32581028342247, 0.892344057559967, 722.107788085938, -15.5299215316772, 21.2648582458496, 1.23700213432312, -0.0261980853974819, 0.0358725972473621, 36.7947807312012, 93.985725402832, 591.551391601562, -114.489120483398, -9.20595741271973, 0.22601293027401, 44.271068572998, 25.6889324188232, 257.412384033203, 3.0, 0.00208675139583647, 0.279578477144241, 0.0705091059207916, 313.568023681641, 12.605562210083
-InChI%3D1S%2FC6H6N2O3%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2Fh1-3%2C9H%2C7H2, 2.0, 0.811862468719482, 4.8757004737854, 165.552520751953, 200.20361328125, 0.452630877494812, 0.547369122505188, 34.6510963439941, -162.499526977539, 196.511611938477, -0.444283783435822, 0.537274956703186, 359.011138916016, -28.4097805023193, 18.9661235809326, 68.8124465942383, -0.0776741057634354, 0.0518545620143414, 47.375904083252, 60.5518531799316, 296.943695068359, -59.4351997375488, -10.3910522460938, 0.365456938743591, 19.1667575836182, 7.15524196624756, 73.2257080078125, 1.0, 0.188137501478195, 10.2204580307007, 0.221953719854355, 71.8753280639648, 6.93697643280029
-InChI%3D1S%2FC26H29NO.C6H8O7%2Fc1-4-25%2821-11-7-5-8-12-21%2926%2822-13-9-6-10-14-22%2923-15-17-24%2818-16-23%2928-20-19-27%282%293%3B7-3%288%291-6%2813%2C5%2811%2912%292-4%289%2910%2Fh5-18H%2C4%2C19-20H2%2C1-3H3%3B13H%2C1-2H2%2C%28H%2C7%2C8%29%28H%2C9%2C10%29%28H%2C11%2C12%29, 4.0, , , , , , , , , , , , , , , , , , , , , , , , 88.5073394775391, 47.2186584472656, , 8.0, , , , , 
-InChI%3D1S%2FC37H36N2O9S3.2Na%2Fc1-3-38%2825-27-7-5-9-35%2823-27%2950%2843%2C44%2945%2932-17-11-29%2812-18-32%2937%2831-15-21-34%2822-16-31%2949%2840%2C41%2942%2930-13-19-33%2820-14-30%2939%284-2%2926-28-8-6-10-36%2824-28%2951%2846%2C47%2948%3B%3B%2Fh5-24H%2C3-4%2C25-26H2%2C1-2H3%2C%28H2-%2C40%2C41%2C42%2C43%2C44%2C45%2C46%2C47%2C48%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 153.108963012695, 63.431037902832, , 10.0, , , , , 
-InChI%3D1S%2FC5H12N2S%2Fc1-3-6-5%288%297-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C6%2C7%2C8%29, 1.0, 0.95703911781311, 2.80522418022156, 110.588088989258, 324.059326171875, 0.254431694746017, 0.74556827545166, 213.471252441406, -82.4875946044922, 241.715682983398, -0.189780473709106, 0.556118965148926, 324.203277587891, -12.9730653762817, 16.8292427062988, 18.6728420257568, -0.0298473313450813, 0.0387192964553833, 29.8023090362549, 48.0668258666992, 415.974578857422, -35.8530197143555, -5.6387095451355, 0.35941955447197, 21.9015159606934, 17.3784847259521, 140.8515625, 2.0, 0.0429608933627605, 2.46648669242859, 0.177689522504807, 105.061096191406, 7.3147873878479
-InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2, 0.0, 1.0, 26.646110534668, 184.775909423828, 141.455963134766, 0.56639438867569, 0.433605581521988, -43.3199462890625, -55.0355644226074, 42.1327056884766, -0.168700754642487, 0.129149556159973, 97.1682662963867, -27.5177822113037, 14.4974765777588, 0.0, -0.0843503773212433, 0.0444391779601574, 42.0152587890625, 60.2797927856445, 326.231872558594, -17.9543552398682, -8.97717761993408, 0.5, 7.45358610153198, 3.0264139175415, 46.1474456787109, 0.0, 0.0, 41.0836524963379, 0.500762104988098, 13.7450313568115, 4.7295389175415
-InChI%3D1S%2FC11H24N2O%2Fc1-3-4-5-6-7-8-9-10-11-13%282%2912-14%2Fh3-11H2%2C1-2H3, 0.0, 1.0, 0.953554749488831, 89.2897186279297, 452.821899414062, 0.164707258343697, 0.835292756557465, 363.532196044922, -69.0867538452148, 350.365051269531, -0.127440094947815, 0.646296858787537, 419.451812744141, -8.70061206817627, 13.3706073760986, 0.0, -0.0160494856536388, 0.0246639382094145, 22.0712184906006, 48.4049911499023, 542.111633300781, -37.4527320861816, -4.71670293807983, 0.214513570070267, 38.3650321960449, 27.8549671173096, 245.480010986328, 1.0, 0.0, 0.78974324464798, 0.0580920092761517, 189.936965942383, 7.24836111068726
-InChI%3D1S%2FC13H14O5%2Fc1-5-7%283%2918-4-8-9%285%296%282%2911%2814%2910%2812%288%2915%2913%2816%2917%2Fh4-5%2C7%2C15H%2C1-3H3%2C%28H%2C16%2C17%29%2Ft5-%2C7%3F%2Fm0%2Fs1, 2.0, 0.64787358045578, 4.70459079742432, 233.581893920898, 378.930816650391, 0.38135027885437, 0.61864972114563, 145.348937988281, -405.453704833984, 657.751770019531, -0.66195148229599, 1.07385814189911, 1063.20544433594, -53.611686706543, 27.0112533569336, 215.681915283203, -0.0875274688005447, 0.0440990887582302, 80.6229400634766, 143.071868896484, 396.830810546875, -248.34553527832, -32.8378410339355, 0.206675484776497, 36.2251014709473, 19.1368980407715, 232.099945068359, 5.0, 0.35212641954422, 5.49741458892822, 0.171162411570549, 402.881317138672, 16.544734954834
-InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2, 0.0, 1.0, 0.336342394351959, 146.306060791016, 92.359619140625, 0.613016784191132, 0.386983245611191, -53.9464454650879, -50.2236061096191, 31.7049961090088, -0.210434973239899, 0.13284270465374, 81.9286041259766, -25.1118030548096, 4.83842754364014, 0.0, -0.105217486619949, 0.0202728249132633, 29.950231552124, 34.9182357788086, 238.665679931641, -11.9866514205933, -5.99332571029663, 0.5, 10.5471715927124, 5.21282815933228, 22.0430717468262, 0.0, 0.0, 36.5765151977539, 0.198054999113083, 7.56689453125, 1.15476655960083
-InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2, 0.0, 1.0, 0.0, 204.233200073242, 92.4283752441406, 0.688438355922699, 0.311561644077301, -111.804832458496, -91.7863159179688, 41.5390815734863, -0.309397369623184, 0.140021786093712, 133.325393676758, -30.3477916717529, 4.68496465682983, 0.0, -0.102297678589821, 0.0157922860234976, 35.0327568054199, 60.5881423950195, 296.661590576172, -27.2294731140137, -9.00302314758301, 0.3819200694561, 16.8939647674561, 8.46603488922119, 27.4199466705322, 0.0, 0.0, 22.9728851318359, 0.173232227563858, 12.3230495452881, 1.38984894752502
-InChI%3D1S%2FC6H6N4O4%2Fc7-6%2811%299-8-3-4-1-2-5%2814-4%2910%2812%2913%2Fh1-3H%2C%28H3%2C7%2C9%2C11%29%2Fb8-3-, 3.0, , , , , , , , , , , , , , , , , , , , , , , , 22.168758392334, 10.3912420272827, , 4.0, , , , , 
-InChI%3D1S%2FC11H16N4O4%2Fc1-7%2815-5-10%2818%2913-11%2819%296-15%292-14-3-8%2816%2912-9%2817%294-14%2Fh7H%2C2-6H2%2C1H3%2C%28H%2C12%2C16%2C17%29%28H%2C13%2C18%2C19%29, 2.0, 0.532808363437653, 0.815738201141357, 215.559951782227, 268.637023925781, 0.445190608501434, 0.554809391498566, 53.077075958252, -481.063079833984, 599.5146484375, -0.993527591228485, 1.23816275596619, 1080.57775878906, -59.3815879821777, 23.07887840271, 226.212768554688, -0.122639313340187, 0.0476642325520515, 82.4604644775391, 104.373481750488, 257.984222412109, -232.929290771484, -28.7523860931396, 0.155459687113762, 37.6366882324219, 26.0073127746582, 130.0732421875, 8.0, 0.467191606760025, 5.52971696853638, 0.117369838058949, 290.283203125, 11.1747236251831
-InChI%3D1S%2FC7H8N2O3%2Fc1-12-7-3-2-5%289%2810%2911%294-6%287%298%2Fh2-4H%2C8H2%2C1H3, 1.0, 0.919752538204193, 0.798708975315094, 159.061828613281, 228.945526123047, 0.409945398569107, 0.590054631233215, 69.8836975097656, -154.038345336914, 221.714981079102, -0.396998524665833, 0.571419537067413, 375.753326416016, -22.5608177185059, 16.3833065032959, 31.1366024017334, -0.0581453330814838, 0.0422242172062397, 38.9441261291504, 61.7171592712402, 356.870758056641, -59.7680130004883, -8.75376319885254, 0.358369529247284, 22.2603435516357, 11.2576560974121, 88.8325500488281, 1.0, 0.0802474543452263, 4.26608991622925, 0.132277294993401, 86.0270462036133, 6.35684394836426
-InChI%3D1S%2FC14H15N3O2%2Fc1-14%282%299-7-8%283-4-11%289%2915-13%2814%2919%2910-5-6-12%2818%2917-16-10%2Fh3-4%2C7H%2C5-6H2%2C1-2H3%2C%28H%2C15%2C19%29%28H%2C17%2C18%29, 2.0, 0.735846281051636, 3.28866648674011, 221.546798706055, 290.371978759766, 0.432777255773544, 0.567222774028778, 68.8251800537109, -324.516418457031, 425.329895019531, -0.633921682834625, 0.83085423707962, 749.846313476562, -38.7870979309082, 20.1468486785889, 135.22526550293, -0.0757680684328079, 0.0393555574119091, 58.9339485168457, 113.413963317871, 376.693511962891, -166.126052856445, -19.8558444976807, 0.237119242548943, 38.2123107910156, 16.8516902923584, 148.646865844727, 4.0, 0.264153748750687, 8.00217056274414, 0.149858996272087, 217.734359741211, 10.3135499954224
-InChI%3D1S%2FCHBr3%2Fc2-1%283%294%2Fh1H, 0.0, 0.932469367980957, 14.6471376419067, 258.585266113281, 50.636058807373, 0.83624655008316, 0.16375344991684, -207.94921875, -76.9411163330078, 15.0665769577026, -0.248822137713432, 0.0487242452800274, 92.0076904296875, -25.6470375061035, 7.00153923034668, 20.8819046020508, -0.0829407125711441, 0.0226424839347601, 32.6485786437988, 79.9600830078125, 288.339416503906, -23.7918338775635, -7.9306116104126, 0.333333343267441, 11.57679271698, 4.96320676803589, 15.6577501296997, 0.0, 0.0675306096673012, 25.6470794677734, 0.701427280902863, 4.65890693664551, 2.16502523422241
-InChI%3D1S%2FC3H9O3P%2Fc1-5-7%283%2C4%296-2%2Fh1-3H3, 0.0, 0.808654725551605, 0.553937911987305, 65.0742034912109, 283.074890136719, 0.186914756894112, 0.81308525800705, 218.000686645508, -56.7320442199707, 246.786224365234, -0.162953302264214, 0.708852112293243, 303.518280029297, -18.156702041626, 13.6494102478027, 66.6166763305664, -0.0521520860493183, 0.0392056442797184, 31.8061122894287, 22.6555252075195, 281.532409667969, -19.7512111663818, -6.32123947143555, 0.354584604501724, 17.3171367645264, 22.1088638305664, 98.5522689819336, 3.0, 0.191345259547234, 6.34164905548096, 0.359123289585114, 85.9184036254883, 4.75202989578247
-InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-4-10-14%2812%2911%286-3-9%295-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29, 1.0, 0.891090571880341, 2.32965803146362, 166.301483154297, 317.822631835938, 0.343510001897812, 0.656489968299866, 151.52116394043, -225.890289306641, 431.704193115234, -0.46659579873085, 0.891722083091736, 657.594482421875, -32.3889541625977, 17.9341926574707, 52.7256927490234, -0.0669021755456924, 0.0370446182787418, 50.3231468200684, 80.5105590820312, 431.3984375, -109.358932495117, -15.6802749633789, 0.222961068153381, 34.115894317627, 30.232105255127, 153.865600585938, 4.0, 0.108909450471401, 3.07959389686584, 0.242115512490273, 208.998413085938, 8.68237590789795
-InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2, 0.0, 0.857586145401001, 5.43571138381958, 244.118591308594, 260.438140869141, 0.483827829360962, 0.516172170639038, 16.31955909729, -385.678161621094, 411.461120605469, -0.764390051364899, 0.815490245819092, 797.139282226562, -45.7386283874512, 22.3965644836426, 71.8558654785156, -0.0906511098146439, 0.0443885922431946, 68.1351928710938, 123.171684265137, 432.700897216797, -194.59651184082, -23.0777339935303, 0.178247466683388, 31.9395160675049, 28.5644836425781, 131.405822753906, 4.0, 0.142413839697838, 1.03048598766327, 0.287396132946014, 207.605484008789, 11.3003368377686
-InChI%3D1S%2FHI.K%2Fh1H%3B%2Fq%3B%2B1%2Fp-1, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 48.75, 0.0, , 0.0, , , , , 
-InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3, 1.0, 0.823848843574524, 14.0569858551025, 91.8097457885742, 228.056259155273, 0.287025660276413, 0.712974369525909, 136.246505737305, -47.0161628723145, 116.788581848145, -0.146987065672874, 0.365117222070694, 163.804748535156, -12.3789701461792, 12.6721038818359, 56.3447685241699, -0.0387004837393761, 0.0396169126033783, 25.0510730743408, 29.3668174743652, 263.521240234375, -15.038872718811, -3.95961165428162, 0.520833790302277, 14.9431371688843, 9.83886337280273, 72.9474487304688, 0.0, 0.176151156425476, 14.1949462890625, 0.483215779066086, 37.3566970825195, 4.05337524414062
-InChI%3D1S%2FC13H9NO2%2Fc15-14%2816%2911-5-6-13-10%288-11%297-9-3-1-2-4-12%289%2913%2Fh1-6%2C8H%2C7H2, 0.0, 1.0, 1.13272154331207, 212.184539794922, 237.479995727539, 0.471872985363007, 0.528127014636993, 25.2954502105713, -147.810180664062, 165.431289672852, -0.32871213555336, 0.36789932847023, 313.241455078125, -17.228515625, 13.9280023574829, 0.0, -0.0383141525089741, 0.0309742074459791, 31.1565189361572, 95.411865234375, 449.664520263672, -66.4649963378906, -7.74705266952515, 0.181901723146439, 31.5851364135742, 11.0948629379272, 106.786331176758, 0.0, 0.0, 8.26784610748291, 0.181909739971161, 74.3885803222656, 6.26292848587036
-InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3, 1.0, 0.908975541591644, 2.63148283958435, 77.3376846313477, 276.165344238281, 0.218775168061256, 0.781224846839905, 198.827651977539, -66.608039855957, 237.850830078125, -0.188422843813896, 0.6728395819664, 304.458862304688, -12.1931552886963, 16.3035411834717, 32.177417755127, -0.0344923660159111, 0.0461199507117271, 28.496696472168, 27.3391036987305, 321.325592041016, -23.5461444854736, -4.31031703948975, 0.402958989143372, 23.316722869873, 13.2812767028809, 97.6252822875977, 1.0, 0.0910244509577751, 5.02640676498413, 0.144185394048691, 84.0809860229492, 5.76335144042969
-InChI%3D1S%2FC10H13NO2%2Fc1-3-13-10-6-4-9%285-7-10%2911-8%282%2912%2Fh4-7H%2C3H2%2C1-2H3%2C%28H%2C11%2C12%29, 1.0, 0.837100923061371, 2.31514883041382, 105.129432678223, 318.31591796875, 0.24827153980732, 0.751728475093842, 213.186492919922, -114.677505493164, 347.226043701172, -0.270820081233978, 0.820002019405365, 461.903564453125, -19.7669525146484, 15.7982740402222, 68.9788589477539, -0.0466812364757061, 0.0373088866472244, 35.5652275085449, 44.5165672302246, 354.466491699219, -48.5596580505371, -8.37022399902344, 0.319197446107864, 28.9723091125488, 17.4476909637451, 134.789398193359, 2.0, 0.16289909183979, 9.89942455291748, 0.200870364904404, 147.03125, 6.68970584869385
-InChI%3D1S%2FC35H45Cl2NO6%2Fc1-33-14-12-26%2839%2920-24%2833%298-11-27-28-13-15-35%2843%2C34%2828%2C2%2921-29%2840%2932%2827%2933%2930%2841%2922-44-31%2842%295-3-4-23-6-9-25%2810-7-23%2938%2818-16-36%2919-17-37%2Fh6-7%2C9-10%2C12%2C14%2C20%2C27-29%2C32%2C40%2C43H%2C3-5%2C8%2C11%2C13%2C15-19%2C21-22H2%2C1-2H3%2Ft27%3F%2C28-%2C29-%2C32%2B%2C33-%2C34%3F%2C35-%2Fm0%2Fs1, 2.0, 0.804547905921936, 0.235862210392952, 357.971618652344, 560.234375, 0.389859825372696, 0.610140204429626, 202.262756347656, -1198.35131835938, 1875.44921875, -1.30510067939758, 2.04251456260681, 3073.80053710938, -71.8934326171875, 32.2988586425781, 179.465286254883, -0.0782977119088173, 0.035176046192646, 104.192291259766, 328.691711425781, 738.74072265625, -1100.33337402344, -66.0129852294922, 0.117232657968998, 101.877685546875, 56.804313659668, 514.410583496094, 7.0, 0.195452094078064, 0.794599413871765, 0.078124113380909, 1722.04870605469, 29.6570072174072
-InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3, 0.0, 0.933412194252014, 0.0, 37.6934089660645, 290.344055175781, 0.114905804395676, 0.885094225406647, 252.650650024414, -18.3697528839111, 141.498168945312, -0.0559989437460899, 0.431347578763962, 159.867919921875, -8.83878135681152, 10.098219871521, 21.8432884216309, -0.0269444268196821, 0.0307837408035994, 18.9370021820068, 12.3648509979248, 306.194183349609, -6.02596712112427, -2.8994517326355, 0.77616161108017, 17.603515625, 15.0344839096069, 95.2437286376953, 1.0, 0.066587783396244, 16.9539222717285, 0.123332180082798, 46.4167022705078, 3.3125946521759
-InChI%3D1S%2FC5H11N3O3%2Fc1-2-6-5%2810%298%287-11%293-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29, 2.0, 0.736876606941223, 1.25376629829407, 111.864562988281, 251.204635620117, 0.308108121156693, 0.69189190864563, 139.340072631836, -139.242767333984, 312.685516357422, -0.383515775203705, 0.861228406429291, 451.928253173828, -27.5135231018066, 16.6466903686523, 95.5319976806641, -0.0757803842425346, 0.0458499118685722, 44.160213470459, 40.6145782470703, 267.537200927734, -50.554759979248, -9.98931217193604, 0.31678780913353, 21.8407230377197, 14.9632768630981, 91.2046585083008, 4.0, 0.263123393058777, 11.6470890045166, 0.1898432970047, 113.526473999023, 6.04390048980713
-InChI%3D1S%2FC16H16N4O4S%2Fc21-9-7-19%288-10-22%2916-11-3-1-2-4-12%2811%2917-15%2818-16%2913-5-6-14%2825-13%2920%2823%2924%2Fh1-6%2C21-22H%2C7-10H2, 2.0, 0.799130082130432, 2.07006216049194, 278.849853515625, 366.281768798828, 0.432237148284912, 0.567762851715088, 87.4319152832031, -572.015441894531, 751.367858886719, -0.886664748191833, 1.16467380523682, 1323.38330078125, -47.8225250244141, 29.0126132965088, 129.587509155273, -0.0741283223032951, 0.0449716225266457, 76.8351364135742, 179.89485168457, 515.544067382812, -369.025238037109, -30.8518218994141, 0.192262098193169, 50.0034828186035, 26.7405185699463, 236.299942016602, 5.0, 0.200869888067245, 7.16730690002441, 0.10226733237505, 484.731170654297, 18.7169532775879
-InChI%3D1S%2FC17H20N2O%2Fc1-18%282%2915-9-5-13%286-10-15%2917%2820%2914-7-11-16%2812-8-14%2919%283%294%2Fh5-12H%2C1-4H3, 0.0, 0.926265954971313, 0.725557327270508, 200.801605224609, 440.276733398438, 0.313224762678146, 0.686775267124176, 239.475128173828, -251.7431640625, 551.970947265625, -0.392687052488327, 0.861003875732422, 803.714111328125, -18.3931484222412, 20.9958038330078, 47.2692947387695, -0.0286909528076649, 0.0327507629990578, 39.3889541625977, 128.729568481445, 593.80908203125, -161.387084960938, -11.791449546814, 0.229445099830627, 46.2578582763672, 26.7821407318115, 282.251892089844, 3.0, 0.0737340375781059, 8.71026992797852, 0.153807818889618, 353.856628417969, 13.4599552154541
-InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2, 0.0, 0.904251098632812, 3.43927240371704, 53.235050201416, 227.838973999023, 0.189398676156998, 0.81060129404068, 174.603912353516, -23.1795196533203, 99.2052841186523, -0.0824676752090454, 0.352950751781464, 122.384803771973, -10.9646434783936, 9.83354187011719, 26.9125270843506, -0.0390098094940186, 0.0349855944514275, 20.7981853485107, 14.9629888534546, 254.161483764648, -6.51516103744507, -3.08187627792358, 0.874144494533539, 13.1763439178467, 10.6616563796997, 64.0396118164062, 1.0, 0.0957488939166069, 23.5254383087158, 0.129341155290604, 27.8840274810791, 2.76395320892334
-InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H%2Ft1-%2C2-%2C3-%2C4%3F%2C5%3F%2C6%2B%2Fm1%2Fs1, 0.0, 1.0, 0.0, 318.314544677734, 65.636116027832, 0.829050660133362, 0.170949354767799, -252.678421020508, -315.884857177734, 65.1351165771484, -0.822722494602203, 0.169644489884377, 381.019958496094, -52.6474761962891, 3.80432224273682, 0.0, -0.13712041079998, 0.00990836229175329, 56.4517974853516, 122.217079162598, 383.950653076172, -121.284194946289, -20.2140331268311, 0.16666667163372, 27.6407585144043, 9.07924175262451, 25.2010307312012, 0.0, 0.0, 9.05337142944336, 0.108260042965412, 25.0086708068848, 1.46067202091217
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-InChI%3D1S%2FC3H5ClO%2Fc4-1-3-2-5-3%2Fh3H%2C1-2H2, 0.0, 0.865153193473816, 5.08286190032959, 119.985862731934, 219.614379882812, 0.353315025568008, 0.646685004234314, 99.6285095214844, -64.9422149658203, 118.866027832031, -0.191231355071068, 0.350017517805099, 183.808242797852, -29.6303329467773, 14.8715553283691, 45.7940139770508, -0.0872506275773048, 0.0437913574278355, 44.5018882751465, 40.7472305297852, 293.806213378906, -22.0543918609619, -10.0624685287476, 0.684822261333466, 11.595965385437, 7.80203485488892, 74.5810928344727, 1.0, 0.134846821427345, 31.3607597351074, 0.18534879386425, 40.3669319152832, 5.05038356781006
-InChI%3D1S%2FC4H10N2S%2Fc1-5-4%287%296%282%293%2Fh1-3H3%2C%28H%2C5%2C7%29, 0.0, 0.944974064826965, 0.464483082294464, 81.2661285400391, 232.388229370117, 0.259094536304474, 0.740905463695526, 151.122085571289, -53.2891273498535, 152.385330200195, -0.169897615909576, 0.485838383436203, 205.674453735352, -10.3114919662476, 11.5236511230469, 17.2591247558594, -0.032875332981348, 0.0367399714887142, 21.8351440429688, 25.4894752502441, 296.395233154297, -16.7143669128418, -3.23424434661865, 0.412310391664505, 18.8079299926758, 16.5120697021484, 72.8895797729492, 2.0, 0.0550259351730347, 6.7518105506897, 0.20513291656971, 47.7963218688965, 3.61444330215454
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-InChI%3D1S%2FC3H4N2O3%2Fc6-3-5%284-7%291-2-8-3%2Fh1-2H2, 0.0, 0.7327521443367, 4.28857326507568, 129.941024780273, 187.959030151367, 0.408748030662537, 0.591251969337463, 58.0180168151855, -96.7818222045898, 139.994430541992, -0.304441034793854, 0.440372437238693, 236.776245117188, -26.7671203613281, 12.4216756820679, 84.9581069946289, -0.0841997936367989, 0.0390741564333439, 39.1887969970703, 41.3082542419434, 232.941940307617, -30.7669467926025, -8.50926876068115, 0.402633428573608, 12.5531721115112, 8.86482810974121, 59.7521858215332, 3.0, 0.2672478556633, 10.5606861114502, 0.48702672123909, 44.5042343139648, 3.9488513469696
-InChI%3D1S%2FC11H17N3O4%2Fc1-12-10-3-2-9%288-11%2810%2914%2817%2918%2913%284-6-15%295-7-16%2Fh2-3%2C8%2C12%2C15-16H%2C4-7H2%2C1H3, 3.0, 0.802599370479584, 1.26693761348724, 184.048477172852, 339.40576171875, 0.351603746414185, 0.648396253585815, 155.357284545898, -314.168426513672, 579.361328125, -0.600183129310608, 1.10680413246155, 893.529724121094, -36.3437614440918, 23.9056854248047, 103.330207824707, -0.0694306418299675, 0.0456691049039364, 60.2494468688965, 96.340950012207, 420.1240234375, -164.452789306641, -19.0242958068848, 0.231047660112381, 37.2034797668457, 22.4805183410645, 177.663375854492, 4.0, 0.197400644421577, 7.27745246887207, 0.122897759079933, 303.269134521484, 12.5135326385498
-InChI%3D1S%2FC4H9N5O3%2Fc1-2-3-8%287-10%294%285%296-9%2811%2912%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C6%29, 2.0, 0.929492175579071, 0.390271365642548, 161.101913452148, 201.477996826172, 0.444321125745773, 0.555678904056549, 40.3760833740234, -151.460388183594, 189.420074462891, -0.417729705572128, 0.522422969341278, 340.880462646484, -22.5848636627197, 12.3174200057983, 25.5647106170654, -0.0622893422842026, 0.0339716039597988, 34.9022827148438, 58.4123153686523, 337.015197753906, -54.9164962768555, -8.18881797790527, 0.293269574642181, 20.9471378326416, 12.0528631210327, 73.051872253418, 3.0, 0.0705077946186066, 7.49735164642334, 0.206829950213432, 68.6799163818359, 4.46604919433594
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-InChI%3D1S%2FC9H18N6O6%2Fc16-1-13%282-17%297-10-8%2814%283-18%294-19%2912-9%2811-7%2915%285-20%296-21%2Fh16-21H%2C1-6H2, 6.0, 0.502736151218414, 0.234536036849022, 200.908843994141, 346.841613769531, 0.366789013147354, 0.633211016654968, 145.932769775391, -688.222595214844, 1188.12194824219, -1.25645267963409, 2.1690936088562, 1876.34460449219, -72.6622924804688, 39.2907180786133, 272.376525878906, -0.132655844092369, 0.0717310532927513, 111.953010559082, 110.047912597656, 275.373962402344, -376.974243164062, -39.8008079528809, 0.110938206315041, 39.2542724609375, 29.5777263641357, 189.982650756836, 12.0, 0.497263878583908, 2.60650014877319, 0.0621478781104088, 650.794372558594, 21.5215091705322
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-InChI%3D1S%2FC16H19ClN4O2S%2Fc1-10-4-3-5-12%2811%2810%292%2919-14-8-13%2817%2920-16%2821-14%2924-9-15%2823%2918-6-7-22%2Fh3-5%2C8%2C22H%2C6-7%2C9H2%2C1-2H3%2C%28H%2C18%2C23%29%28H%2C19%2C20%2C21%29, 4.0, 0.864035427570343, 0.271678596735001, 222.894683837891, 439.136993408203, 0.336682796478271, 0.663317203521729, 216.242309570312, -521.028747558594, 1026.50720214844, -0.787014842033386, 1.55054092407227, 1547.53601074219, -41.0164794921875, 28.2708740234375, 90.0128402709961, -0.0619554631412029, 0.042703203856945, 69.287353515625, 147.563339233398, 572.018859863281, -344.937530517578, -27.1542091369629, 0.168481737375259, 54.5802383422852, 31.8037605285645, 290.722595214844, 6.0, 0.135964557528496, 6.40075731277466, 0.0937473028898239, 679.580261230469, 18.716215133667
-InChI%3D1S%2FC6H14N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-6H2%2C1-2H3, 0.0, 1.0, 1.80735182762146, 78.9349517822266, 291.1181640625, 0.213307082653046, 0.786692917346954, 212.183212280273, -39.7375717163086, 146.555206298828, -0.107383422553539, 0.396038293838501, 186.292785644531, -9.06556224822998, 8.35274600982666, 0.0, -0.0244980026036501, 0.0225717481225729, 17.4183082580566, 29.2101268768311, 370.053131103516, -14.7050123214722, -3.35473966598511, 0.32366344332695, 22.897102355957, 16.9228973388672, 107.729187011719, 1.0, 0.0, 0.514764487743378, 0.0892886519432068, 54.233211517334, 3.09095978736877
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-InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2, 0.0, 0.925250709056854, 0.245303258299828, 79.2900085449219, 233.123260498047, 0.253798484802246, 0.746201515197754, 153.833251953125, -52.8282279968262, 155.322067260742, -0.169097259640694, 0.497168600559235, 208.150299072266, -16.2946739196777, 11.1534452438354, 23.352668762207, -0.0521574318408966, 0.035700935870409, 27.4481182098389, 24.7712516784668, 289.060607910156, -16.5042381286621, -5.0906720161438, 0.5671706199646, 16.1783447265625, 12.2796564102173, 72.8307952880859, 2.0, 0.0747492834925652, 13.2449474334717, 0.092858575284481, 48.5246734619141, 3.48448443412781
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-InChI%3D1S%2FC11H14N2O4%2Fc1-8%282%2916-9-6-4-5-7-10%289%2917-11%2814%2913%283%2912-15%2Fh4-8H%2C1-3H3, 0.0, 0.906736552715302, 0.798000931739807, 167.615982055664, 333.596252441406, 0.334421157836914, 0.665578842163086, 165.980285644531, -218.496353149414, 434.860473632812, -0.435935795307159, 0.867617428302765, 653.356811523438, -21.6472587585449, 14.8750019073486, 46.7447891235352, -0.0431898012757301, 0.0296780504286289, 36.5222587585449, 84.0111846923828, 454.467468261719, -109.513053894043, -10.8498706817627, 0.26088547706604, 34.1031036376953, 21.7128982543945, 167.202529907227, 2.0, 0.0932634547352791, 2.75642681121826, 0.281941384077072, 217.957397460938, 7.45553350448608
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-InChI%3D1S%2FC12H12N2O3.Na%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%3B%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29%3B%2Fq%3B%2B1%2Fp-1, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 56.6607246398926, 16.58127784729, , 5.0, , , , , 
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-InChI%3D1S%2FC12H12N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10%2C13-14H, 2.0, 0.959184288978577, 2.14897155761719, 156.774826049805, 274.017700195312, 0.363921880722046, 0.636078119277954, 117.242866516113, -153.772369384766, 268.769866943359, -0.356952250003815, 0.623896300792694, 422.542236328125, -11.6616907119751, 19.4127674102783, 17.583101272583, -0.0270703174173832, 0.0450629182159901, 31.0744590759277, 67.5374298095703, 413.209442138672, -66.2439880371094, -5.02376890182495, 0.226301282644272, 31.3215160369873, 13.118483543396, 118.044776916504, 2.0, 0.040815707296133, 1.99287176132202, 0.15037402510643, 115.784049987793, 8.36287498474121
-InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3, 0.0, 0.831911742687225, 3.32451319694519, 101.371383666992, 260.920257568359, 0.279806017875671, 0.720193982124329, 159.548889160156, -71.6869888305664, 184.515472412109, -0.197870939970016, 0.509300947189331, 256.202453613281, -18.3966083526611, 12.7098007202148, 60.8969688415527, -0.0507784485816956, 0.035081684589386, 31.106409072876, 36.7260055541992, 301.394683837891, -25.9715976715088, -6.6649374961853, 0.441959112882614, 15.7383441925049, 11.6196556091309, 94.5292358398438, 2.0, 0.168088242411613, 4.51855134963989, 0.403482526540756, 66.8484115600586, 4.60465478897095
-InChI%3D1S%2FC14H13NO%2Fc1-11%2816%2915-14-9-7-13%288-10-14%2912-5-3-2-4-6-12%2Fh2-10H%2C1H3%2C%28H%2C15%2C16%29, 1.0, 0.851845860481262, 4.87295389175415, 197.910705566406, 344.114807128906, 0.365131705999374, 0.634868264198303, 146.204116821289, -214.190887451172, 372.421783447266, -0.395167529582977, 0.68709272146225, 586.612670898438, -25.5956134796143, 21.535270690918, 80.3033142089844, -0.0472221560776234, 0.0397311002016068, 47.1308822631836, 107.272644042969, 461.722198486328, -116.096923828125, -13.8734750747681, 0.321722656488419, 35.2103080749512, 15.5316905975342, 186.518997192383, 2.0, 0.148154124617577, 13.2120304107666, 0.202459469437599, 201.862106323242, 11.6726655960083
-InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29, 1.0, 0.890580236911774, 2.76484966278076, 188.823196411133, 308.742004394531, 0.379494369029999, 0.620505630970001, 119.918807983398, -256.529174804688, 419.447052001953, -0.515568971633911, 0.842999160289764, 675.976257324219, -36.1471061706543, 19.3954486846924, 54.4434661865234, -0.0726479738950729, 0.0389807187020779, 55.542552947998, 93.9518585205078, 443.121734619141, -127.639999389648, -17.9855422973633, 0.222920119762421, 34.115894317627, 30.232105255127, 153.619277954102, 4.0, 0.109419763088226, 2.95840644836426, 0.242071062326431, 208.702270507812, 9.65050029754639
-InChI%3D1S%2FC2H6N2O%2Fc1-3-4%282%295%2Fh1-2H3, 0.0, 1.0, 7.76150417327881, 86.0596160888672, 257.775085449219, 0.250293582677841, 0.749706387519836, 171.715454101562, -36.1578979492188, 108.304046630859, -0.10516070574522, 0.314988702535629, 144.461944580078, -13.1595973968506, 13.8435430526733, 0.0, -0.03827303647995, 0.0402622036635876, 27.0031394958496, 29.5902824401855, 343.834686279297, -12.4323396682739, -4.52472591400146, 0.427681505680084, 10.5227575302124, 8.17724227905273, 88.6320114135742, 1.0, 0.0, 13.2512655258179, 0.163119152188301, 37.2386894226074, 4.75989007949829
-InChI%3D1S%2FC6H7ClN%2Fc7-9-6-4-2-1-3-5%286%298%2Fh1-4H%2C8H2, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 14.5067930221558, 3.26641392707825, , 1.0, , , , , 
-InChI%3D1S%2FC12H9N3O3S%2Fc16-12-7-3-1-2-4-8%287%2913-11%2814-12%299-5-6-10%2819-9%2915%2817%2918%2Fh1-6%2C11%2C13H%2C%28H%2C14%2C16%29, 1.0, 0.785549700260162, 6.87194204330444, 269.387084960938, 287.785888671875, 0.483489155769348, 0.516510844230652, 18.3988037109375, -360.870269775391, 385.517272949219, -0.647680878639221, 0.691916644573212, 746.387512207031, -39.607593536377, 28.1922149658203, 119.485916137695, -0.0710867121815681, 0.0505986772477627, 67.7998123168945, 150.095199584961, 437.687042236328, -201.067169189453, -22.0682811737061, 0.256904035806656, 35.0603446960449, 14.9216556549072, 160.346527099609, 2.0, 0.214450314640999, 11.5524930953979, 0.163838446140289, 214.7998046875, 15.7079401016235
-InChI%3D1S%2FC7H8O2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4%2C8-9H%2C1H3, 2.0, 0.642648756504059, 5.13519668579102, 130.600982666016, 196.191604614258, 0.39964485168457, 0.60035514831543, 65.5906295776367, -119.533210754395, 179.565368652344, -0.365776985883713, 0.549478054046631, 299.098571777344, -30.5620746612549, 15.8352289199829, 116.779739379883, -0.0935213193297386, 0.0484565123915672, 46.3973045349121, 42.6794319152832, 210.012847900391, -39.0625648498535, -9.98745918273926, 0.390879392623901, 19.2583446502686, 8.74565601348877, 64.1139678955078, 0.0, 0.357351243495941, 14.2709693908691, 0.238082319498062, 58.6806297302246, 5.17483568191528
-InChI%3D1S%2FC8H10N3O.ClH%2Fc9-4-3-6-1-2-8%2812%297%285-6%2911-10%3B%2Fh1-2%2C5%2C10H%2C3-4%2C9H2%3B1H, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 27.0299301147461, 12.3100700378418, , 3.0, , , , , 
-InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H, 0.0, 0.92471981048584, 15.4174060821533, 233.768005371094, 53.6472778320312, 0.813345789909363, 0.186654224991798, -180.120727539062, -84.2483215332031, 19.3340969085693, -0.29312402009964, 0.0672688558697701, 103.582420349121, -28.0827751159668, 8.87235546112061, 21.6366729736328, -0.0977080091834068, 0.0308694634586573, 36.9551315307617, 67.1884994506836, 265.778594970703, -24.2142543792725, -8.07141876220703, 0.333333343267441, 8.96679306030273, 2.35320711135864, 15.4190464019775, 0.0, 0.075280174612999, 23.0551013946533, 0.712559044361115, 5.55691480636597, 2.55005049705505
-InChI%3D1S%2FC5H12N2O4%2Fc8-2-1-7%286-11%293-5%2810%294-9%2Fh5%2C8-10H%2C1-4H2, 3.0, 0.653048634529114, 2.30034899711609, 112.007377624512, 254.089202880859, 0.305950343608856, 0.694049656391144, 142.081817626953, -163.997482299805, 372.028991699219, -0.447962373495102, 1.01620447635651, 536.026489257812, -32.6844367980957, 22.4230995178223, 127.017707824707, -0.0892781838774681, 0.0612491369247437, 55.107536315918, 41.0055160522461, 239.078872680664, -60.0389175415039, -11.9656600952148, 0.269324749708176, 22.2095165252686, 14.7364835739136, 93.0211868286133, 4.0, 0.346951365470886, 8.49075984954834, 0.143624931573868, 136.198532104492, 8.20901966094971
-InChI%3D1S%2FC19H27NO6%2Fc1-5-13-10-12%282%2919%283%2C24%2918%2823%2925-11-14-6-8-20%284%299-7-15%2816%2814%2921%2926-17%2813%2922%2Fh5-6%2C12%2C15%2C24H%2C7-11H2%2C1-4H3%2Fb13-5%3F%2C14-6-%2Ft12-%2C15-%2C19-%2Fm1%2Fs1, 1.0, 0.759384274482727, 0.160987854003906, 196.572814941406, 413.017242431641, 0.322467237710953, 0.67753279209137, 216.444412231445, -473.921417236328, 995.751647949219, -0.777442812919617, 1.6334775686264, 1469.67309570312, -39.9583015441895, 17.4492855072021, 146.676956176758, -0.0655494630336761, 0.0286246240139008, 57.4075889587402, 119.828834533691, 462.9130859375, -288.897766113281, -24.3581829071045, 0.157188579440117, 57.355411529541, 38.2025871276855, 251.771194458008, 7.0, 0.240615740418434, 3.18282866477966, 0.121882624924183, 607.000305175781, 10.6369113922119
-InChI%3D1S%2FC4H5NS%2Fc1-2-3-5-4-6%2Fh2H%2C1%2C3H2, 0.0, 0.929558157920837, 5.2263765335083, 151.301223754883, 168.970825195312, 0.472414702177048, 0.52758526802063, 17.6695938110352, -71.0886459350586, 79.3906784057617, -0.221963316202164, 0.247885122895241, 150.47932434082, -12.515419960022, 10.7734308242798, 22.5605621337891, -0.0390774644911289, 0.0336383730173111, 23.2888507843018, 48.4575538635254, 297.711486816406, -22.7677059173584, -4.00833940505981, 0.575069785118103, 14.3739652633667, 7.92603492736816, 54.1166305541992, 1.0, 0.070441871881485, 12.97389793396, 0.286530375480652, 25.4266147613525, 3.45042872428894
-InChI%3D1S%2FC11H14O2%2Fc1-4-5-9-6-7-10%2812-2%2911%288-9%2913-3%2Fh4%2C6-8H%2C1%2C5H2%2C2-3H3, 0.0, 0.935589969158173, 0.59148496389389, 97.3762359619141, 359.806213378906, 0.212992057204247, 0.787007927894592, 262.429992675781, -101.555061340332, 375.247039794922, -0.222132474184036, 0.820781826972961, 476.802093505859, -14.813853263855, 19.2167148590088, 29.4471454620361, -0.0324024967849255, 0.0420329198241234, 34.0305671691895, 44.5187034606934, 427.735290527344, -46.4291915893555, -6.77263355255127, 0.331758260726929, 30.2991027832031, 19.1368980407715, 164.497085571289, 0.0, 0.0644100531935692, 5.1964545249939, 0.101118057966232, 171.556365966797, 8.78554439544678
-InChI%3D1S%2FC11H23NO2%2Fc12-10-8-6-4-2-1-3-5-7-9-11%2813%2914%2Fh1-10%2C12H2%2C%28H%2C13%2C14%29, 2.0, 0.805006206035614, 0.840070843696594, 96.3877410888672, 366.044342041016, 0.208436548709869, 0.791563451290131, 269.656585693359, -128.895248413086, 489.49560546875, -0.278733372688293, 1.05852437019348, 618.390869140625, -22.6041679382324, 18.3873119354248, 90.17138671875, -0.0488810539245605, 0.0397621877491474, 40.9914779663086, 44.5727844238281, 372.260711669922, -59.6053009033203, -10.4528923034668, 0.247911497950554, 37.4002380371094, 25.4417610168457, 169.270645141602, 3.0, 0.194993793964386, 7.4767918586731, 0.193568557500839, 226.358474731445, 8.5028829574585
-InChI%3D1S%2FC9H6N2O2%2Fc1-7-2-3-8%2810-5-12%294-9%287%2911-6-13%2Fh2-4H%2C1H3, 0.0, 0.49884694814682, 4.86801195144653, 202.478073120117, 176.382553100586, 0.534439444541931, 0.465560555458069, -26.0955085754395, -221.52180480957, 192.971923828125, -0.584705233573914, 0.509348034858704, 414.493713378906, -39.796443939209, 18.4010047912598, 189.867156982422, -0.105042442679405, 0.0485693253576756, 58.197452545166, 76.7109680175781, 188.993469238281, -83.9258880615234, -15.0773057937622, 0.238037869334221, 23.6447582244873, 11.1152420043945, 66.8244094848633, 4.0, 0.50115305185318, 13.9851760864258, 0.308351367712021, 73.1094665527344, 6.97141647338867
-InChI%3D1S%2FC3H4O2.Na%2Fc4-2-1-3-5%3B%2Fh1-4H%3B%2Fq%3B%2B1%2Fp-1%2Fb2-1-%3B, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 32.4843788146973, 5.19562101364136, , 2.0, , , , , 
-InChI%3D1S%2FCN4O8%2Fc6-2%287%291%283%288%299%2C4%2810%2911%295%2812%2913, 0.0, 1.0, 0.0, 314.919281005859, 19.0557231903076, 0.942942678928375, 0.0570573322474957, -295.863555908203, -315.273132324219, 19.0771350860596, -0.944002211093903, 0.0571214444935322, 334.350280761719, -39.4091415405273, 2.14542484283447, 0.0, -0.118000276386738, 0.00642390782013535, 41.5545692443848, 105.175170898438, 333.975006103516, -105.293350219727, -13.1616687774658, 0.125, 12.576000213623, 5.02400016784668, 6.36413526535034, 0.0, 0.0, 4.9161639213562, 0.550157845020294, 6.37128639221191, 0.716518223285675
-InChI%3D1S%2FC4H5N3O3%2Fc8-3-1-2-7%286-10%294%289%295-3%2Fh1-2H2%2C%28H%2C5%2C8%2C9%29, 1.0, 0.644157469272614, 2.66146683692932, 162.082153320312, 200.169067382812, 0.44743025302887, 0.55256974697113, 38.0869026184082, -159.279754638672, 196.708129882812, -0.439694195985794, 0.543015778064728, 355.987884521484, -35.6401748657227, 18.7615871429443, 128.904388427734, -0.0983852446079254, 0.0517916418612003, 54.4017601013184, 58.7144622802734, 233.34684753418, -57.6992874145508, -12.9106969833374, 0.353954076766968, 16.0799655914307, 9.36203479766846, 72.5114898681641, 4.0, 0.355842500925064, 12.7817068099976, 0.35262069106102, 71.2577667236328, 6.79640769958496
-InChI%3D1S%2FC20H22O3%2Fc1-20%282%2C19%2821%2922%2923-16-12-10-15%2811-13-16%2918-9-5-7-14-6-3-4-8-17%2814%2918%2Fh3-4%2C6%2C8%2C10-13%2C18H%2C5%2C7%2C9H2%2C1-2H3%2C%28H%2C21%2C22%29, 1.0, 0.857219159603119, 0.304135262966156, 187.473419189453, 452.794036865234, 0.292804837226868, 0.707195162773132, 265.320617675781, -304.826904296875, 736.231384277344, -0.476093083620071, 1.14988088607788, 1041.05822753906, -24.9406394958496, 24.0239124298096, 91.4179153442383, -0.0389534682035446, 0.0375216826796532, 48.9645538330078, 120.033134460449, 548.849548339844, -195.170761108398, -15.9686803817749, 0.2025196403265, 52.275447845459, 26.9245548248291, 289.909301757812, 2.0, 0.14278082549572, 0.686335980892181, 0.179089859127998, 471.384979248047, 15.3817300796509
-InChI%3D1S%2FC19H20O4%2Fc1-2-3-13-22-18%2820%2916-11-7-8-12-17%2816%2919%2821%2923-14-15-9-5-4-6-10-15%2Fh4-12H%2C2-3%2C13-14H2%2C1H3, 0.0, 0.853532373905182, 1.88123118877411, 229.769454956055, 469.162994384766, 0.328743427991867, 0.671256542205811, 239.393539428711, -419.425903320312, 856.419799804688, -0.60009503364563, 1.22532558441162, 1275.845703125, -31.1454448699951, 26.9192409515381, 102.370971679688, -0.0445614531636238, 0.0385147966444492, 58.0646858215332, 160.593338012695, 596.561462402344, -293.150390625, -21.7685623168945, 0.170793071389198, 49.9838600158691, 27.6121406555176, 327.913238525391, 4.0, 0.146467626094818, 2.18393278121948, 0.161237567663193, 598.57958984375, 18.8147296905518
-InChI%3D1S%2FC7H9NO2S%2Fc1-6-4-2-3-5-7%286%2911%288%2C9%2910%2Fh2-5H%2C1H3%2C%28H2%2C8%2C9%2C10%29, 1.0, 0.741162598133087, 0.257979303598404, 147.734176635742, 193.995498657227, 0.432312995195389, 0.567687034606934, 46.2613258361816, -137.342880249023, 180.350296020508, -0.401905030012131, 0.527757167816162, 317.693176269531, -21.5462417602539, 13.2187852859497, 88.4524230957031, -0.0630505383014679, 0.0386819951236248, 34.7650260925293, 50.4851531982422, 253.277267456055, -46.934139251709, -7.3629903793335, 0.241771131753922, 23.9251365661621, 15.6548633575439, 66.2940216064453, 3.0, 0.258837401866913, 3.87368679046631, 0.256616741418839, 61.6310501098633, 4.51725149154663
-InChI%3D1S%2FC34H27N9O7S2.2Na%2Fc35-22-10-15-27%2826%2836%2918-22%2941-38-24-11-6-19%287-12-24%2920-8-13-25%2814-9-20%2940-42-32-28%2851%2845%2C46%2947%2916-21-17-29%2852%2848%2C49%2950%2933%2834%2844%2930%2821%2931%2832%2937%2943-39-23-4-2-1-3-5-23%3B%3B%2Fh1-18%2C44H%2C35-37H2%2C%28H%2C45%2C46%2C47%29%28H%2C48%2C49%2C50%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb41-38%2B%2C42-40%2B%2C43-39%2B%3B%3B, 4.0, , , , , , , , , , , , , , , , , , , , , , , , 145.023818969727, 44.1781768798828, , 15.0, , , , , 
-InChI%3D1S%2FC10H10N4O3S%2Fc1-6%282%2912-13-10-11-5-8%2818-10%297-3-4-9%2817-7%2914%2815%2916%2Fh3-5H%2C1-2H3%2C%28H%2C11%2C13%29, 2.0, 0.926138162612915, 1.47393774986267, 228.255340576172, 317.014312744141, 0.418610006570816, 0.581389963626862, 88.7589721679688, -295.482208251953, 410.382904052734, -0.541901051998138, 0.752623736858368, 705.865112304688, -24.3630771636963, 17.8838481903076, 40.2746200561523, -0.0446807853877544, 0.0327981747686863, 42.2469253540039, 124.460716247559, 504.995056152344, -161.117477416992, -13.2844467163086, 0.221177265048027, 34.6407241821289, 18.7972774505615, 172.858291625977, 3.0, 0.073861837387085, 2.86598920822144, 0.181659206748009, 223.769348144531, 9.75152015686035
-InChI%3D1S%2FC7H9NO.ClH%2Fc1-9-7-5-3-2-4-6%287%298%3B%2Fh2-5H%2C8H2%2C1H3%3B1H, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 23.0699291229248, 12.6080703735352, , 1.0, , , , , 
-InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-2-1-3-8%284-7%296-10%2Fh1-4H2, 0.0, 1.0, 0.2849280834198, 110.8662109375, 230.476196289062, 0.324794709682465, 0.675205290317535, 119.609992980957, -63.9491691589355, 132.941879272461, -0.18734610080719, 0.389467805624008, 196.891052246094, -14.4161043167114, 9.40110206604004, 0.0, -0.0422335565090179, 0.027541559189558, 23.8172054290771, 37.8433380126953, 341.342407226562, -21.8285636901855, -4.92082786560059, 0.254487782716751, 18.3783435821533, 11.9816560745239, 78.6713027954102, 2.0, 0.0, 1.84383988380432, 0.170945376157761, 45.3787002563477, 3.20899486541748
-InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296, 0.0, 0.955759048461914, 2.64168667793274, 264.966125488281, 12.2649736404419, 0.955759048461914, 0.044240977615118, -252.701141357422, -112.216293334961, 5.1943621635437, -0.40477529168129, 0.0187365785241127, 117.410652160645, -28.0540733337402, 2.59718108177185, 12.2649736404419, -0.101193822920322, 0.00936828926205635, 30.651252746582, 73.4568405151367, 264.966125488281, -31.1098442077637, -7.77746105194092, 0.25, 12.2399997711182, 1.67999994754791, 3.4002320766449, 0.0, 0.044240977615118, 16.4284343719482, 0.5, 1.44003856182098, 0.720019280910492
-InChI%3D1S%2FC16H12N2O4%2Fc1-21-15-7-11%283-5-13%2815%2917-9-19%2912-4-6-14%2818-10-20%2916%288-12%2922-2%2Fh3-8H%2C1-2H3, 0.0, 0.629344940185547, 3.37835049629211, 269.074554443359, 341.393096923828, 0.440767914056778, 0.559232115745544, 72.3185653686523, -501.195343017578, 635.900512695312, -0.821002304553986, 1.04166126251221, 1137.09582519531, -51.5496444702148, 30.7315196990967, 226.272933959961, -0.0844428762793541, 0.0503409467637539, 82.2811660766602, 164.261306762695, 384.194732666016, -305.963531494141, -31.4693908691406, 0.185992956161499, 41.5695152282715, 21.5064830780029, 208.409454345703, 4.0, 0.370655059814453, 1.90157556533813, 0.181154012680054, 388.196685791016, 18.7605991363525
-InChI%3D1S%2FC18H22ClNO.ClH%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%3B%2Fh2-11%2C16H%2C12-15H2%2C1H3%3B1H, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 53.2782402038574, 29.8797607421875, , 1.0, , , , , 
-InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H, 0.0, 1.0, 2.72550868988037, 144.60090637207, 200.757583618164, 0.418697983026505, 0.581302046775818, 56.1566886901855, -71.8018646240234, 99.6865844726562, -0.207905307412148, 0.288646668195724, 171.48844909668, -8.00069618225098, 12.4532918930054, 0.0, -0.0231663528829813, 0.0360590294003487, 20.4539890289307, 49.9391479492188, 345.358489990234, -24.797384262085, -2.76310849189758, 0.123182572424412, 22.9343433380127, 8.74565601348877, 69.3333358764648, 0.0, 0.0, 1.73939263820648, 0.125589475035667, 34.4276084899902, 4.30084991455078
-InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2, 0.0, 0.778895616531372, 2.78726530075073, 43.6011428833008, 153.595962524414, 0.221104368567467, 0.778895616531372, 109.994827270508, -16.3926258087158, 57.7471351623535, -0.0831281170248985, 0.292839676141739, 74.139762878418, -16.3926258087158, 9.38456726074219, 43.6011428833008, -0.0831281170248985, 0.0475897826254368, 25.777193069458, 8.59801864624023, 153.595962524414, -3.23257827758789, -3.23257827758789, 1.0, 6.98917198181152, 6.28882789611816, 30.2886810302734, 1.0, 0.221104368567467, 43.6011428833008, 0.187773495912552, 11.3875684738159, 1.85060954093933
-InChI%3D1S%2FC4H8O%2Fc1-2-4-3-5-4%2Fh4H%2C2-3H2%2C1H3, 0.0, 0.873582005500793, 3.07617974281311, 48.754467010498, 258.295959472656, 0.158783257007599, 0.841216742992401, 209.541488647461, -22.5532932281494, 119.484939575195, -0.073451429605484, 0.389137834310532, 142.038238525391, -14.9815540313721, 11.7941417694092, 38.8166923522949, -0.0487918369472027, 0.0384110920131207, 26.7756958007812, 14.9700794219971, 268.233734130859, -6.92499828338623, -4.60009241104126, 0.805164992809296, 13.1763439178467, 10.6616563796997, 79.3098831176758, 1.0, 0.126417979598045, 31.2538433074951, 0.17561212182045, 36.6879005432129, 3.62139630317688
-InChI%3D1S%2FC4H10N2O2%2Fc1-4%287%293-6%282%295-8%2Fh4%2C7H%2C3H2%2C1-2H3, 1.0, 0.868843793869019, 3.34645771980286, 82.1706161499023, 241.999755859375, 0.253479719161987, 0.746520280838013, 159.829147338867, -59.3644638061523, 174.833618164062, -0.183127358555794, 0.539326369762421, 234.198089599609, -18.2728996276855, 10.6189413070679, 42.5169486999512, -0.0563681982457638, 0.0327572859823704, 28.8918418884277, 26.637279510498, 281.653411865234, -19.2441997528076, -5.92353296279907, 0.541738331317902, 17.5119304656982, 12.55006980896, 78.4491500854492, 2.0, 0.131156176328659, 16.8011932373047, 0.290908664464951, 56.6758804321289, 3.4423463344574
-InChI%3D1S%2FC6H10N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3H%2C1%2C4-5H2%2C2H3, 0.0, 0.889449834823608, 0.649153590202332, 164.342544555664, 248.349243164062, 0.398221015930176, 0.601778984069824, 84.006706237793, -125.182495117188, 189.171829223633, -0.303331673145294, 0.458385229110718, 314.354309082031, -25.4886169433594, 11.7670707702637, 45.6231422424316, -0.0617618709802628, 0.0285129752010107, 37.255687713623, 67.8228225708008, 367.068664550781, -51.6617889404297, -10.5189428329468, 0.391176760196686, 21.0319309234619, 13.5080699920654, 102.49169921875, 2.0, 0.11055015027523, 17.8467121124268, 0.191126838326454, 78.0696563720703, 4.85617351531982
-InChI%3D1S%2FC12H15ClO3%2Fc1-4-15-11%2814%2912%282%2C3%2916-10-7-5-9%2813%296-8-10%2Fh5-8H%2C4H2%2C1-3H3, 0.0, 0.944017767906189, 0.0, 188.771392822266, 376.9169921875, 0.333702087402344, 0.666297912597656, 188.145599365234, -237.399169921875, 474.011352539062, -0.419664204120636, 0.83793717622757, 711.410522460938, -20.9886913299561, 16.2180652618408, 31.6684970855713, -0.0371029190719128, 0.028669610619545, 37.2067565917969, 106.785789489746, 534.019897460938, -134.293960571289, -11.8730592727661, 0.26183408498764, 35.707893371582, 21.6081047058105, 213.217575073242, 2.0, 0.0559822283685207, 1.15579438209534, 0.233604103326797, 268.142730712891, 9.17437171936035
-InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2, 0.0, 1.0, 10.2631206512451, 152.086395263672, 172.799209594727, 0.468122899532318, 0.531877100467682, 20.7128143310547, -33.6019859313965, 38.1782760620117, -0.10342712700367, 0.117512986063957, 71.7802658081055, -17.2543792724609, 8.88865566253662, 0.0, -0.0531090907752514, 0.0273593403398991, 26.1430358886719, 49.4106826782227, 324.885620117188, -10.9168014526367, -5.60569953918457, 0.631549954414368, 7.70037889480591, 3.69962096214294, 56.1399765014648, 0.0, 0.0, 52.9509315490723, 0.369666755199432, 12.4035730361938, 2.88779640197754
-InChI%3D1S%2FC12H13N3O2%2Fc16-9-7-8%2813-1-2-13%2912%2817%2911%2815-5-6-15%2910%289%2914-3-4-14%2Fh7H%2C1-6H2, 0.0, 0.850438416004181, 0.588200628757477, 70.4758987426758, 425.763122558594, 0.142020061612129, 0.857979953289032, 355.287231445312, -96.9749755859375, 585.850952148438, -0.195419877767563, 1.18058216571808, 682.825927734375, -19.8638019561768, 22.0101280212402, 74.2182846069336, -0.0400286987423897, 0.0443538837134838, 41.8739318847656, 34.9728889465332, 422.020751953125, -48.1227684020996, -9.85719394683838, 0.208648279309273, 34.692310333252, 22.0676918029785, 211.280288696289, 5.0, 0.149561569094658, 8.9606351852417, 0.157172471284866, 290.722106933594, 10.9222850799561
-InChI%3D1S%2FC15H17N3%2Fc1-12-5-4-6-14%2811-12%2917-16-13-7-9-15%2810-8-13%2918%282%293%2Fh4-11H%2C1-3H3%2Fb17-16%2B, 0.0, 0.993335843086243, 0.889814913272858, 214.933212280273, 447.996459960938, 0.324217230081558, 0.675782799720764, 233.063232421875, -219.272521972656, 457.041107177734, -0.330762892961502, 0.689426243305206, 676.313659667969, -12.8757762908936, 22.5741329193115, 4.41786479949951, -0.0194225367158651, 0.0340520814061165, 35.4499092102051, 142.485595703125, 658.511779785156, -145.362258911133, -8.53573417663574, 0.275143414735794, 41.0354804992676, 21.8845195770264, 296.990142822266, 3.0, 0.00666415318846703, 1.21554636955261, 0.0844603478908539, 302.986114501953, 14.9650621414185
-InChI%3D1S%2FC12H12O4%2Fc1-3-10%2816-8%282%2913%299-4-5-11-12%286-9%2915-7-14-11%2Fh3-6%2C10H%2C1%2C7H2%2C2H3, 0.0, 0.759409129619598, 0.861970901489258, 169.784637451172, 309.647674560547, 0.354136824607849, 0.645863175392151, 139.863037109375, -250.478637695312, 456.814758300781, -0.522448360919952, 0.952824294567108, 707.293395996094, -36.0851898193359, 22.2525234222412, 115.347023010254, -0.075266495347023, 0.046414315700531, 58.3377113342285, 81.4002456665039, 364.085296630859, -120.087554931641, -17.3004055023193, 0.213877692818642, 32.329517364502, 19.82448387146, 148.455108642578, 2.0, 0.240590840578079, 5.57935047149658, 0.175697669386864, 219.011764526367, 10.6685791015625
-InChI%3D1S%2FCH2O%2Fc1-2%2Fh1H2, 0.0, 0.624959826469421, 27.6555805206299, 109.358840942383, 182.233520507812, 0.375040143728256, 0.624959826469421, 72.8746719360352, -33.5208015441895, 55.8584289550781, -0.114957742393017, 0.191563427448273, 89.3792266845703, -33.5208015441895, 18.7427959442139, 109.358840942383, -0.114957742393017, 0.064277395606041, 52.2635955810547, 31.8882026672363, 182.233520507812, -9.77440929412842, -9.77440929412842, 1.0, 3.89558601379395, 3.14441394805908, 53.1379013061523, 1.0, 0.375040143728256, 109.358840942383, 0.347584366798401, 16.2878913879395, 5.46525621414185
-InChI%3D1S%2FC2H3Br%2Fc1-2-3%2Fh2H%2C1H2, 0.0, 1.0, 10.8393507003784, 161.837997436523, 168.585556030273, 0.489789545536041, 0.510210454463959, 6.74755191802979, -31.5814990997314, 32.8982353210449, -0.0955788344144821, 0.099563829600811, 64.4797286987305, -16.0928249359131, 7.55453491210938, 0.0, -0.0487036220729351, 0.0228631850332022, 23.6473598480225, 53.4750862121582, 330.423553466797, -10.4352712631226, -5.31744813919067, 0.561984598636627, 8.57037925720215, 4.56962108612061, 55.7046356201172, 0.0, 0.0, 52.4925842285156, 0.394191086292267, 10.8703508377075, 2.49619626998901
-InChI%3D1S%2FC2HCl2F3%2Fc3-1%284%292%285%2C6%297%2Fh1H, 0.0, 0.902622401714325, 8.07585430145264, 266.618347167969, 54.3996238708496, 0.830540239810944, 0.169459730386734, -212.218734741211, -205.642364501953, 41.9583511352539, -0.64059454202652, 0.130704060196877, 247.600723266602, -40.1820182800293, 12.5182857513428, 31.2599601745605, -0.12517061829567, 0.0389955900609493, 52.7003059387207, 85.5892868041992, 289.758026123047, -66.0149002075195, -12.8991508483887, 0.216338753700256, 10.2177934646606, 5.54220676422119, 17.4632568359375, 0.0, 0.097377598285675, 8.29987907409668, 0.557038903236389, 13.4693851470947, 4.01859474182129
-InChI%3D1S%2FC7H6N4O3S%2Fc8-10-7-9-4%283-15-7%295-1-2-6%2814-5%2911%2812%2913%2Fh1-3H%2C8H2%2C%28H%2C9%2C10%29, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 26.0267581939697, 12.0112419128418, , 3.0, , , , , 
-InChI%3D1S%2FC5H11N3O3%2Fc1-2-8%287-11%295%2810%296-3-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29, 2.0, 0.710569620132446, 0.464228183031082, 121.861953735352, 233.499206542969, 0.342924237251282, 0.657075762748718, 111.637245178223, -152.162292480469, 291.557556152344, -0.428190588951111, 0.820454239845276, 443.719879150391, -30.7916469573975, 15.1147232055664, 102.852325439453, -0.0866488814353943, 0.0425334125757217, 45.9063682556152, 43.305004119873, 252.508834838867, -54.0725708007812, -10.9421548843384, 0.315409749746323, 21.8407230377197, 14.9632768630981, 82.9765472412109, 4.0, 0.289430409669876, 9.23402118682861, 0.189249560236931, 103.608238220215, 5.37118530273438
-InChI%3D1S%2FC9H4Cl6O4%2Fc10-3-4%2811%298%2813%292%286%2818%2919%291%285%2816%2917%297%283%2C12%299%288%2C14%2915%2Fh1-2H%2C%28H%2C16%2C17%29%28H%2C18%2C19%29, 2.0, 0.56871110200882, 1.49919319152832, 424.106079101562, 78.5398483276367, 0.843747138977051, 0.156252831220627, -345.566223144531, -862.692810058594, 159.761367797852, -1.71630322933197, 0.317840754985809, 1022.45416259766, -82.4562835693359, 16.0648612976074, 216.785598754883, -0.164044469594955, 0.031960591673851, 98.5211486816406, 213.175186157227, 285.860321044922, -433.629028320312, -41.4463157653809, 0.162827834486961, 34.7951736450195, 8.80882835388184, 39.4777336120605, 4.0, 0.431288868188858, 5.04985809326172, 0.13060587644577, 80.3033981323242, 8.07493686676025
-InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29, 2.0, 0.732404053211212, 0.983087360858917, 157.938568115234, 250.491943359375, 0.386696308851242, 0.61330372095108, 92.5533752441406, -183.992050170898, 291.81298828125, -0.450485557317734, 0.714474022388458, 475.805023193359, -32.2879638671875, 16.4997615814209, 109.29434967041, -0.0790537521243095, 0.0403979644179344, 48.7877235412598, 64.5069351196289, 299.136169433594, -75.1479644775391, -13.1873893737793, 0.283540487289429, 24.8323097229004, 16.7896919250488, 102.308555603027, 3.0, 0.267595946788788, 7.43699312210083, 0.236818790435791, 119.185325622559, 6.73900604248047
-InChI%3D1S%2FC2H5NS%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, 1.0, 0.875958979129791, 14.8335084915161, 126.62565612793, 177.298889160156, 0.416635185480118, 0.583364844322205, 50.6732368469238, -56.2760581970215, 78.7966918945312, -0.185164570808411, 0.25926399230957, 135.07275390625, -19.4979705810547, 13.130744934082, 37.6991119384766, -0.0641539841890335, 0.0432039648294449, 32.6287155151367, 38.4846458435059, 266.225433349609, -17.1036758422852, -5.92591190338135, 0.671462893486023, 10.853964805603, 7.74603509902954, 53.8854827880859, 1.0, 0.124041020870209, 25.3135547637939, 0.421717315912247, 23.9482479095459, 3.9907557964325
-InChI%3D1S%2FC19H20N2O2%2Fc1-2-3-14-17-18%2822%2920%2815-10-6-4-7-11-15%2921%2819%2817%2923%2916-12-8-5-9-13-16%2Fh4-13%2C17H%2C2-3%2C14H2%2C1H3, 0.0, 0.880518794059753, 0.309316098690033, 203.989013671875, 434.880615234375, 0.319296777248383, 0.680703222751617, 230.891616821289, -319.538269042969, 681.218078613281, -0.500161945819855, 1.066286444664, 1000.75634765625, -24.4633026123047, 23.6258640289307, 76.3329162597656, -0.0382915437221527, 0.0369807295501232, 48.089168548584, 130.322387695312, 562.536743164062, -204.143295288086, -15.6288614273071, 0.177294686436653, 50.5798606872559, 26.4201393127441, 277.83203125, 4.0, 0.119481205940247, 5.13498687744141, 0.149024114012718, 435.209533691406, 15.0938472747803
-InChI%3D1S%2FC33H40N2O9%2Fc1-38-19-7-8-20-21-9-10-35-16-18-13-27%2844-32%2836%2917-11-25%2839-2%2930%2841-4%2926%2812-17%2940-3%2931%2842-5%2928%2833%2837%2943-6%2922%2818%2915-24%2835%2929%2821%2934-23%2820%2914-19%2Fh7-8%2C11-12%2C14%2C18%2C22%2C24%2C27-28%2C31%2C34H%2C9-10%2C13%2C15-16H2%2C1-6H3%2Ft18-%2C22%3F%2C24-%2C27%3F%2C28%2B%2C31%2B%2Fm1%2Fs1, 1.0, 0.860166072845459, 0.364693135023117, 167.359909057617, 735.318481445312, 0.185403689742088, 0.81459629535675, 567.958557128906, -631.650329589844, 2775.24145507812, -0.699751198291779, 3.07445192337036, 3406.8916015625, -38.1152305603027, 37.9246520996094, 126.225074768066, -0.0422245934605598, 0.0420134700834751, 76.0398864746094, 151.072174072266, 776.453308105469, -570.177124023438, -34.4057960510254, 0.0999284163117409, 95.503303527832, 63.8826942443848, 663.756103515625, 7.0, 0.139833942055702, 0.916363000869751, 0.0778286159038544, 2505.150390625, 34.2337646484375
-InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H, 0.0, 0.928811132907867, 14.8322582244873, 240.836822509766, 52.494312286377, 0.821040749549866, 0.178959220647812, -188.342498779297, -81.7567520141602, 17.8202171325684, -0.278718292713165, 0.0607511959969997, 99.5769653320312, -26.8638191223145, 8.14408111572266, 20.8819046020508, -0.0915818884968758, 0.0277641210705042, 35.0079002380371, 70.6449356079102, 272.44921875, -23.9818000793457, -7.87999439239502, 0.36738058924675, 9.83679294586182, 3.22320699691772, 15.3982152938843, 0.0, 0.0711888447403908, 24.9667930603027, 0.710292398929596, 5.22722434997559, 2.38891243934631
-InChI%3D1S%2FC6H12N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3%2C6%2C9H%2C1%2C4-5H2%2C2H3, 1.0, 0.899127006530762, 2.68235731124878, 144.996856689453, 268.620819091797, 0.350557684898376, 0.649442315101624, 123.623970031738, -129.431869506836, 239.78515625, -0.312926322221756, 0.579726576805115, 369.217041015625, -23.78684425354, 14.0667791366577, 41.7228469848633, -0.0575092546641827, 0.0340091325342655, 37.8536224365234, 59.9732666015625, 371.894836425781, -53.5353088378906, -9.83866024017334, 0.438446432352066, 22.3655166625977, 14.7364835739136, 111.106330871582, 2.0, 0.100872971117496, 13.2980766296387, 0.235442072153091, 99.1793823242188, 5.81826877593994
-InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29, 3.0, 0.603754222393036, 3.50903391838074, 135.195159912109, 215.545166015625, 0.385456562042236, 0.614543437957764, 80.3500061035156, -164.348175048828, 262.024597167969, -0.468575090169907, 0.747061491012573, 426.372772216797, -34.6532402038574, 23.3781394958496, 138.979370117188, -0.0988002717494965, 0.066653698682785, 58.031379699707, 47.4183921813965, 211.760955810547, -57.6435356140137, -12.1542882919312, 0.324373096227646, 15.6535511016846, 9.27044868469238, 75.6003799438477, 4.0, 0.396245777606964, 5.73665952682495, 0.192047834396362, 91.902587890625, 8.19965648651123
-InChI%3D1S%2FC6H10N6O%2Fc1-12%282%2911-10-6-4%285%287%2913%298-3-9-6%2Fh3H%2C1-2H3%2C%28H2%2C7%2C13%29%28H%2C8%2C9%29%2Fb11-10-, 3.0, 0.826285004615784, 0.474685847759247, 85.3064804077148, 329.185180664062, 0.205809891223907, 0.794190108776093, 243.878692626953, -133.070236206055, 513.49853515625, -0.321044445037842, 1.23886334896088, 646.568725585938, -21.528039932251, 21.5351333618164, 72.0034027099609, -0.0519384145736694, 0.0519555285573006, 43.063175201416, 35.3588256835938, 342.488250732422, -55.1565017700195, -8.92319297790527, 0.186314940452576, 27.2971019744873, 18.9028987884521, 136.44450378418, 7.0, 0.173714965581894, 2.92479920387268, 0.139759227633476, 212.840850830078, 8.92613315582275
-InChI%3D1S%2FC3H6O3S%2Fc4-7%285%293-1-2-6-7%2Fh1-3H2, 0.0, 0.850270688533783, 10.1966905593872, 121.754615783691, 212.505447387695, 0.364251166582108, 0.635748863220215, 90.7508239746094, -82.7116394042969, 144.361465454102, -0.247446984052658, 0.431883662939072, 227.073104858398, -25.2870426177979, 16.2152671813965, 50.0485229492188, -0.0756508037447929, 0.0485109314322472, 41.502311706543, 40.6977043151855, 284.211547851562, -27.6471977233887, -8.45244884490967, 0.397013247013092, 14.5867576599121, 14.9512424468994, 71.0320816040039, 3.0, 0.149729296565056, 9.59920692443848, 0.394151657819748, 48.2542686462402, 5.42011594772339
-InChI%3D1S%2FC12H12N2%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C13-14H2, 2.0, 0.90818190574646, 3.61592102050781, 138.19856262207, 299.330810546875, 0.315861225128174, 0.684138774871826, 161.132247924805, -141.859436035156, 307.260070800781, -0.324228346347809, 0.702261567115784, 449.119506835938, -16.7215118408203, 24.4128456115723, 40.1731147766113, -0.0382180288434029, 0.0557970441877842, 41.1343574523926, 60.4659309387207, 397.356262207031, -62.0676689147949, -7.31615209579468, 0.294637829065323, 31.3215160369873, 11.7984838485718, 130.966033935547, 2.0, 0.0918181017041206, 6.02239322662354, 0.120897382497787, 134.435302734375, 10.6813373565674
-InChI%3D1S%2FC19H27NO7%2Fc1-11-9-19%2812%282%2927-19%2917%2823%2926-14-6-8-20%284%297-5-13%2815%2814%2921%2910-25-16%2822%2918%2811%2C3%2924%2Fh5%2C11-12%2C14%2C24H%2C6-10H2%2C1-4H3%2Fb13-5-%2Ft11-%2C12-%2C14-%2C18-%2C19%3F%2Fm1%2Fs1, 1.0, 0.739251673221588, 0.146993070840836, 165.528091430664, 424.299530029297, 0.280638068914413, 0.719361960887909, 258.771453857422, -442.030181884766, 1133.05969238281, -0.749422669410706, 1.92100143432617, 1575.08984375, -41.9463653564453, 19.3957920074463, 153.79655456543, -0.0711163133382797, 0.0328838303685188, 61.3421592712402, 97.6330413818359, 436.031066894531, -260.721618652344, -24.7411251068115, 0.141917109489441, 58.1574096679688, 40.1185874938965, 250.263595581055, 8.0, 0.260748326778412, 2.55835700035095, 0.111287288367748, 668.309936523438, 11.4401741027832
-InChI%3D1S%2FC9H15Cl6O4P%2Fc10-1-7%282-11%2917-20%2816%2C18-8%283-12%294-13%2919-9%285-14%296-15%2Fh7-9H%2C1-6H2, 0.0, 0.967357277870178, 0.386347621679306, 400.61767578125, 228.324401855469, 0.636970698833466, 0.363029301166534, -172.293273925781, -831.750366210938, 474.040252685547, -1.32245934009552, 0.753710508346558, 1305.79064941406, -69.7902603149414, 14.247579574585, 20.5303974151611, -0.11096452921629, 0.0226532462984324, 84.037841796875, 251.96533203125, 608.411682128906, -523.122802734375, -43.8940353393555, 0.133162572979927, 45.759895324707, 33.1041069030762, 143.602828979492, 4.0, 0.0326427482068539, 0.0682617425918579, 0.21916376054287, 298.143859863281, 8.96090316772461
-InChI%3D1S%2FC8H6N4O4S%2Fc1-4%2813%299-8-11-10-7%2817-8%295-2-3-6%2816-5%2912%2814%2915%2Fh2-3H%2C1H3%2C%28H%2C9%2C11%2C13%29, 2.0, 0.818665146827698, 1.21792387962341, 257.576965332031, 213.067794799805, 0.547285318374634, 0.452714681625366, -44.5091781616211, -384.844909667969, 318.343872070312, -0.81769722700119, 0.676399528980255, 703.188781738281, -35.332576751709, 18.5095481872559, 85.3443069458008, -0.075072705745697, 0.0393280684947968, 53.8421249389648, 121.227249145508, 385.300445556641, -181.125228881836, -16.6290912628174, 0.233011990785599, 29.2555503845215, 15.0844488143921, 100.279235839844, 4.0, 0.181334882974625, 4.99684524536133, 0.157428368926048, 149.826873779297, 8.71142196655273
-InChI%3D1S%2FC2H6N2O2%2Fc1-3%282%294%285%296%2Fh1-2H3, 0.0, 1.0, 1.04595041275024, 96.74462890625, 190.821868896484, 0.336425215005875, 0.663574755191803, 94.0772476196289, -36.7302627563477, 72.4478225708008, -0.127727881073952, 0.251934140920639, 109.178085327148, -11.3439178466797, 7.21635437011719, 0.0, -0.0394479818642139, 0.0250945575535297, 18.5602722167969, 27.8205127716064, 287.566497802734, -10.5623931884766, -3.26213073730469, 0.405615746974945, 11.3247575759888, 8.47524166107178, 54.8739776611328, 1.0, 0.0, 4.21706867218018, 0.281850904226303, 20.8335666656494, 2.07518172264099
-InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2%2Fb2-1%2B, 0.0, 1.0, 0.481110244989395, 163.620819091797, 137.561111450195, 0.543262422084808, 0.456737607717514, -26.0597076416016, -76.9410018920898, 64.6866912841797, -0.255463540554047, 0.214776143431664, 141.627700805664, -26.1582832336426, 7.7625617980957, 0.0, -0.0868520960211754, 0.0257736630737782, 33.9208450317383, 49.2796363830566, 301.181945800781, -23.1732406616211, -7.87840223312378, 0.359306991100311, 15.4007577896118, 7.39924192428589, 41.4309234619141, 0.0, 0.0, 26.7178535461426, 0.142974570393562, 19.4824638366699, 2.33794331550598
-InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3%2Fb6-5-, 0.0, 1.0, 0.471803069114685, 103.791725158691, 268.850830078125, 0.278528928756714, 0.721471071243286, 165.059097290039, -49.5961494445801, 128.468475341797, -0.13309308886528, 0.34474989771843, 178.064636230469, -11.5870695114136, 8.27704238891602, 0.0, -0.031094329431653, 0.0222117472440004, 19.8641128540039, 38.6772117614746, 372.642547607422, -18.4816341400146, -4.31783533096313, 0.265893131494522, 20.5987224578857, 13.2812767028809, 100.185256958008, 0.0, 0.0, 10.6012678146362, 0.208365708589554, 47.8728218078613, 3.0843780040741
-InChI%3D1S%2FC4H10N2O%2Fc1-3-5-6%287%294-2%2Fh3-4H2%2C1-2H3, 0.0, 1.0, 0.609707117080688, 63.1278762817383, 253.115371704102, 0.199618101119995, 0.800381898880005, 189.987503051758, -31.5220947265625, 126.389915466309, -0.0996767356991768, 0.399660438299179, 157.912002563477, -7.96863031387329, 9.11368751525879, 0.0, -0.0251977872103453, 0.0288185980170965, 17.0823173522949, 19.9637641906738, 316.243255615234, -9.96864986419678, -2.52002549171448, 0.353143751621246, 16.7099304199219, 12.55006980896, 80.046028137207, 1.0, 0.0, 3.41150903701782, 0.153868138790131, 39.9699554443359, 2.88214206695557
-InChI%3D1S%2FC13H12Cl2N2%2Fc14-10-6-8%281-3-12%2810%2916%295-9-2-4-13%2817%2911%2815%297-9%2Fh1-4%2C6-7H%2C5%2C16-17H2, 2.0, 0.924652218818665, 3.18631529808044, 243.169479370117, 259.119598388672, 0.484122574329376, 0.515877425670624, 15.9501276016235, -293.255432128906, 312.490844726562, -0.583837985992432, 0.622133433818817, 605.746276855469, -31.0980052947998, 21.0401706695557, 37.8463745117188, -0.0619125626981258, 0.0418885685503483, 52.1381759643555, 122.141380310059, 464.442718505859, -147.299011230469, -15.6201887130737, 0.249430686235428, 37.4415168762207, 12.6384840011597, 130.152954101562, 2.0, 0.075347788631916, 4.73838949203491, 0.102954588830471, 156.960739135742, 10.568247795105
-InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H, 0.0, 0.892882645130157, 6.10759115219116, 71.0685577392578, 202.507553100586, 0.259776204824448, 0.740223824977875, 131.438995361328, -29.9116611480713, 85.232307434082, -0.109335787594318, 0.31154876947403, 115.143966674805, -12.5798635482788, 10.8807096481323, 29.3047523498535, -0.045983050018549, 0.0397721491754055, 23.4605731964111, 19.4426612854004, 244.271362304688, -8.18311595916748, -3.44155025482178, 0.838823616504669, 11.8427581787109, 8.47524166107178, 55.4012298583984, 1.0, 0.107117362320423, 24.5815162658691, 0.210752800107002, 23.3175220489502, 2.97670221328735
-InChI%3D1S%2FBrHO3.K%2Fc2-1%283%294%3B%2Fh%28H%2C2%2C3%2C4%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 48.8559989929199, 6.74399995803833, , 3.0, , , , , 
-InChI%3D1S%2FHNO2.Na%2Fc2-1-3%3B%2Fh%28H%2C2%2C3%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 26.3040008544922, 0.596000015735626, , 0.0, , , , , 
-InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H, 0.0, 1.0, 29.2791347503662, 241.877502441406, 146.5947265625, 0.622637808322906, 0.377362191677094, -95.2827682495117, -85.0983581542969, 51.5755729675293, -0.21905905008316, 0.132765144109726, 136.673934936523, -28.4566669464111, 17.8254280090332, 0.0, -0.0732527673244476, 0.0458859764039516, 46.2820930480957, 93.9626922607422, 388.472229003906, -33.058349609375, -11.0546245574951, 0.384534329175949, 10.7267932891846, 2.35320711135864, 56.9479827880859, 0.0, 0.0, 32.2919883728027, 0.531400680541992, 20.0356788635254, 6.92468357086182
-InChI%3D1S%2FC4H9N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C8%29, 2.0, 0.700008571147919, 3.11513471603394, 107.707885742188, 238.432739257812, 0.311167985200882, 0.688831984996796, 130.724853515625, -99.9853897094727, 221.337463378906, -0.288857698440552, 0.639443755149841, 321.322845458984, -22.6120567321777, 20.112455368042, 103.839218139648, -0.0653262138366699, 0.0581048652529716, 42.7245101928711, 37.2820739746094, 242.301406860352, -34.6090049743652, -7.82695150375366, 0.360305935144424, 17.9451370239258, 11.4568634033203, 82.5312576293945, 3.0, 0.299991428852081, 10.3739757537842, 0.251407712697983, 76.6138916015625, 6.96173810958862
-InChI%3D1S%2F3C2H7O3P.Al.3H%2Fc3%2A1-2-5-6%283%294%3B%3B%3B%3B%2Fh3%2A6H%2C2H2%2C1H3%2C%28H%2C3%2C4%29%3B%3B%3B%3B%2Fq%3B%3B%3B%2B3%3B%3B%3B%2Fp-3, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 47.4702758789062, 53.6137275695801, , 9.0, , , , , 
-InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3, 0.0, 0.835238516330719, 0.7212935090065, 218.091506958008, 219.672317504883, 0.498194456100464, 0.501805543899536, 1.58080196380615, -274.552612304688, 276.542663574219, -0.627170622348785, 0.631716549396515, 551.095275878906, -33.7181205749512, 18.0155048370361, 72.1266250610352, -0.0770235359668732, 0.0411534793674946, 51.7336235046387, 95.4725799560547, 365.63720703125, -120.18920135498, -14.7605724334717, 0.227560520172119, 22.9055519104004, 22.6784496307373, 96.1645965576172, 4.0, 0.164761498570442, 2.9875864982605, 0.363705605268478, 121.060371398926, 7.88653659820557
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-InChI%3D1S%2FC10H22N2O%2Fc1-3-5-7-9-12%2811-13%2910-8-6-4-2%2Fh3-10H2%2C1-2H3, 0.0, 1.0, 0.548240840435028, 77.5931015014648, 403.259033203125, 0.161365821957588, 0.838634192943573, 325.665924072266, -55.6025810241699, 288.972106933594, -0.115633428096771, 0.600958347320557, 344.574676513672, -7.59999752044678, 11.3930654525757, 0.0, -0.0158052705228329, 0.0236934907734394, 18.9930629730225, 37.3108062744141, 480.852111816406, -26.7366180419922, -3.65447497367859, 0.227353751659393, 35.2714462280273, 25.6685543060303, 193.907958984375, 1.0, 0.0, 0.0, 0.0627406388521194, 138.952850341797, 5.47837972640991
-InChI%3D1S%2FC12H9NO2%2Fc14-13%2815%2911-7-6-9-5-4-8-2-1-3-10%2811%2912%288%299%2Fh1-3%2C6-7H%2C4-5H2, 0.0, 1.0, 1.11449038982391, 147.841751098633, 276.345611572266, 0.348529368638992, 0.65147066116333, 128.503860473633, -97.7568740844727, 182.727035522461, -0.230456829071045, 0.430769622325897, 280.483917236328, -14.184609413147, 12.6470775604248, 0.0, -0.0334394909441471, 0.029814837500453, 26.8316860198975, 62.7126045227051, 424.187377929688, -41.4672317504883, -6.01693201065063, 0.1916214376688, 31.1587238311768, 13.2812767028809, 117.222320556641, 0.0, 0.0, 7.44356775283813, 0.196880087256432, 77.510498046875, 5.36473035812378
-InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2, 0.0, 1.0, 0.535538256168365, 176.048965454102, 109.916374206543, 0.615630447864532, 0.38436958193779, -66.1325836181641, -49.9345169067383, 31.1766738891602, -0.174617379903793, 0.109022557735443, 81.1111907958984, -24.9672584533691, 5.18107891082764, 0.0, -0.0873086899518967, 0.0181178562343121, 30.1483364105225, 50.3438987731934, 285.96533203125, -14.279541015625, -7.1397705078125, 0.5, 12.2871723175049, 6.95282793045044, 31.4322738647461, 0.0, 0.0, 44.6537132263184, 0.168603703379631, 8.91544818878174, 1.48160898685455
-InChI%3D1S%2FCo.H2O4S.7H2O%2Fc%3B1-5%282%2C3%294%3B%3B%3B%3B%3B%3B%3B%2Fh%3B%28H2%2C1%2C2%2C3%2C4%29%3B7%2A1H2%2Fq%2B2%3B%3B%3B%3B%3B%3B%3B%3B%2Fp-2, 7.0, , , , , , , , , , , , , , , , , , , , , , , , 28.5571022033691, 10.2848978042603, , 11.0, , , , , 
-InChI%3D1S%2FC15H9NO4%2Fc1-8-6-7-11-12%2813%288%2916%2819%2920%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C1H3, 0.0, 0.888773262500763, 1.0077565908432, 239.67399597168, 266.779815673828, 0.473239600658417, 0.526760399341583, 27.1058254241943, -291.065307617188, 323.983215332031, -0.574712455272675, 0.639709293842316, 615.048522949219, -31.6503028869629, 18.2678146362305, 56.3311958312988, -0.0624939538538456, 0.0360700488090515, 49.9181175231934, 121.383811950684, 450.122619628906, -147.411148071289, -16.0294170379639, 0.236823976039886, 36.7091369628906, 13.0108633041382, 135.111663818359, 2.0, 0.111226715147495, 8.42385292053223, 0.161840945482254, 164.082550048828, 9.25180435180664
-InChI%3D1S%2FC37H36N2O6S2.Na%2Fc1-3-38%2826-28-10-8-14-35%2824-28%2946%2840%2C41%2942%2933-20-16-31%2817-21-33%2937%2830-12-6-5-7-13-30%2932-18-22-34%2823-19-32%2939%284-2%2927-29-11-9-15-36%2825-29%2947%2843%2C44%2945%3B%2Fh5-25H%2C3-4%2C26-27H2%2C1-2H3%2C%28H-%2C40%2C41%2C42%2C43%2C44%2C45%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 124.869758605957, 57.0902442932129, , 7.0, , , , , 
-InChI%3D1S%2FC16H17NO2%2Fc1-18-15-9-10-16%2819-2%2913%2811-15%296-3-12-4-7-14%2817%298-5-12%2Fh3-11H%2C17H2%2C1-2H3%2Fb6-3%2B, 1.0, 0.904625654220581, 2.71438455581665, 144.988037109375, 486.894348144531, 0.229454159736633, 0.770545840263367, 341.906311035156, -203.538787841797, 683.517700195312, -0.322115004062653, 1.08171665668488, 887.056457519531, -23.492603302002, 31.5613040924072, 60.2653694152832, -0.0371787585318089, 0.0499480701982975, 55.0539054870605, 91.6153869628906, 571.617004394531, -128.612579345703, -14.8445615768433, 0.248343825340271, 42.1994819641113, 21.756519317627, 307.659942626953, 1.0, 0.0953743457794189, 7.05840492248535, 0.0884008780121803, 431.902770996094, 19.9430313110352
-InChI%3D1S%2FC13H13N3.C2H4O2%2Fc1-7-12-11%288%282%2915-13%287%2914%299-5-3-4-6-10%289%2916-12%3B1-2%283%294%2Fh3-6%2C16H%2C1-2H3%2C%28H2%2C14%2C15%29%3B1H3%2C%28H%2C3%2C4%29, 3.0, , , , , , , , , , , , , , , , , , , , , , , , 43.3062744140625, 22.6157264709473, , 5.0, , , , , 
-InChI%3D1S%2FC4H8%2Fc1-4%282%293%2Fh1H2%2C2-3H3, 0.0, 1.0, 6.20183944702148, 54.6892051696777, 210.756759643555, 0.206027641892433, 0.793972373008728, 156.06755065918, -14.8403816223145, 57.1906433105469, -0.0559073574841022, 0.215451166033745, 72.0310211181641, -4.23961496353149, 7.42337703704834, 0.0, -0.0159716699272394, 0.0279656816273928, 11.662992477417, 14.5170288085938, 265.445953369141, -3.93931937217712, -1.12538862228394, 0.368415772914886, 12.3743438720703, 8.74565601348877, 55.9445304870605, 0.0, 0.0, 9.29211521148682, 0.196872562170029, 15.1810245513916, 1.97050547599792
-InChI%3D1S%2FC11H12N3O3%2Fc12-10%2815%296-9-11%2816%2917-13-14%289%297-8-4-2-1-3-5-8%2Fh1-5%2C16H%2C6-7H2%2C%28H2%2C12%2C15%29%2Fq%2B1%2Fp-1, 3.0, 0.677713751792908, 2.37401580810547, 213.322982788086, 276.422790527344, 0.435579031705856, 0.564420998096466, 63.099796295166, -389.743988037109, 505.028167724609, -0.795808792114258, 1.03120481967926, 894.772155761719, -44.2943420410156, 27.0488662719727, 157.838333129883, -0.0904435440897942, 0.0552304238080978, 71.3432083129883, 104.474029541016, 331.907440185547, -190.875473022461, -21.6929664611816, 0.199670165777206, 34.4011001586914, 18.178897857666, 135.376892089844, 4.0, 0.322286278009415, 6.65875053405762, 0.131513312458992, 247.335403442383, 13.2470674514771
-InChI%3D1S%2FC20H12%2Fc1-2-7-17-15%284-1%2912-16-9-8-13-5-3-6-14-10-11-18%2817%2920%2816%2919%2813%2914%2Fh1-12H, 0.0, 1.0, 1.50420010089874, 262.753479003906, 284.511657714844, 0.480120986700058, 0.51987898349762, 21.7581806182861, -196.360870361328, 212.621200561523, -0.358803927898407, 0.3885158598423, 408.982086181641, -11.8196020126343, 17.7017097473145, 0.0, -0.0215975791215897, 0.0323457643389702, 29.5213108062744, 143.795822143555, 547.26513671875, -107.461463928223, -6.46845626831055, 0.0818469971418381, 43.2015151977539, 13.118483543396, 155.703323364258, 0.0, 0.0, 1.09651446342468, 0.0842571407556534, 116.360168457031, 9.68752861022949
-InChI%3D1S%2F2C17H13ClN2O4S.Ba%2Fc2%2A1-10-8-14%2816%289-13%2810%2918%2925%2822%2C23%2924%2919-20-17-12-5-3-2-4-11%2812%296-7-15%2817%2921%3B%2Fh2%2A2-9%2C21H%2C1H3%2C%28H%2C22%2C23%2C24%29%3B%2Fq%3B%3B%2B2%2Fp-2%2Fb2%2A20-19%2B%3B, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 136.519027709961, 44.5849685668945, , 10.0, , , , , 
-InChI%3D1S%2FC8H6N4O4S%2Fc13-4-9-11-8-10-5%283-17-8%296-1-2-7%2816-6%2912%2814%2915%2Fh1-4H%2C%28H%2C9%2C13%29%28H%2C10%2C11%29, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 28.5887584686279, 13.9912424087524, , 4.0, , , , , 
-InChI%3D1S%2FC7H5NS2%2Fc9-7-8-5-3-1-2-4-6%285%2910-7%2Fh1-4H%2C%28H%2C8%2C9%29, 1.0, 0.980598032474518, 3.8417911529541, 167.420837402344, 215.118499755859, 0.43765652179718, 0.56234347820282, 47.6976547241211, -120.589645385742, 154.945236206055, -0.315234631299973, 0.405043959617615, 275.534881591797, -17.6265888214111, 17.0349750518799, 7.42201280593872, -0.0460778474807739, 0.0445313043892384, 34.661563873291, 64.0450592041016, 375.117309570312, -46.1302833557129, -6.74286365509033, 0.370110929012299, 23.8875503540039, 12.8724489212036, 82.2912826538086, 1.0, 0.0194019600749016, 2.74696803092957, 0.180335879325867, 59.2726516723633, 6.51654815673828
-InChI%3D1S%2FC20H19NO3%2Fc1-20%282%2910-9-13-15%2824-20%2911-16%2823-4%2917-18%2813%2921%283%2914-8-6-5-7-12%2814%2919%2817%2922%2Fh5-11H%2C1-4H3, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 51.3750686645508, 27.5409336090088, , 2.0, , , , , 
-InChI%3D1S%2FC19H18N2O7S2.2Na%2Fc1-10-6-12%283%2916%287-11%2810%292%2920-21-18-15-5-4-14%2829%2823%2C24%2925%298-13%2815%299-17%2819%2818%2922%2930%2826%2C27%2928%3B%3B%2Fh4-9%2C22H%2C1-3H3%2C%28H%2C23%2C24%2C25%29%28H%2C26%2C27%2C28%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb21-20%2B%3B%3B, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 104.922691345215, 33.679313659668, , 8.0, , , , , 
-InChI%3D1S%2FC3H3N3O3%2Fc7-2-1-6%285-9%293%288%294-2%2Fh1H2%2C%28H%2C4%2C7%2C8%29, 1.0, 0.572976529598236, 13.6095113754272, 171.495025634766, 173.456069946289, 0.497157484292984, 0.502842485904694, 1.96104919910431, -166.800964355469, 168.70832824707, -0.48354959487915, 0.489078998565674, 335.509307861328, -37.2392158508301, 24.3319091796875, 147.302200317383, -0.107955068349838, 0.0705372765660286, 61.5711250305176, 59.1573944091797, 197.648880004883, -57.5381736755371, -12.8457078933716, 0.356599539518356, 12.9863786697388, 7.17562103271484, 59.8338584899902, 4.0, 0.427023440599442, 13.0092601776123, 0.356762915849686, 58.1961250305176, 8.39331912994385
-InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920-3%2921-15-10-6-13%287-11-15%2912-4-8-14%2818%299-5-12%2Fh4-11H%2C1-3H3, 0.0, 0.932844042778015, 0.0376733429729939, 217.760620117188, 368.994171142578, 0.371127128601074, 0.628872871398926, 151.233551025391, -320.145629882812, 542.484985351562, -0.545620858669281, 0.924551486968994, 862.630615234375, -24.4671363830566, 18.304759979248, 39.4040870666504, -0.0416990853846073, 0.0311966110020876, 42.7718963623047, 127.772079467773, 547.350708007812, -187.846984863281, -14.3562097549438, 0.223976761102676, 45.841480255127, 23.7945194244385, 216.509094238281, 2.0, 0.0671559721231461, 0.988683640956879, 0.199655324220657, 318.3056640625, 10.7404050827026
-InChI%3D1S%2FC14H8O3%2Fc15-11-7-3-6-10-12%2811%2914%2817%299-5-2-1-4-8%289%2913%2810%2916%2Fh1-7%2C15H, 1.0, 0.693952143192291, 6.39312219619751, 191.55094909668, 247.348587036133, 0.436434596776962, 0.563565373420715, 55.7976379394531, -248.610458374023, 321.029174804688, -0.566440463066101, 0.731441140174866, 569.6396484375, -34.5092926025391, 23.1646957397461, 134.324249267578, -0.0786268636584282, 0.0527790412306786, 57.6739883422852, 84.0716171264648, 304.575286865234, -109.115013122559, -15.1461124420166, 0.277091830968857, 32.3803443908691, 10.6616563796997, 108.561180114746, 2.0, 0.306047827005386, 7.45724153518677, 0.167824178934097, 140.899551391602, 10.166974067688
-InChI%3D1S%2FC7H7N3O2%2Fc1-10%289-12%297-4-2-6%288-11%293-5-7%2Fh2-5H%2C1H3, 0.0, 1.0, 1.18617880344391, 170.570114135742, 179.28434753418, 0.487545907497406, 0.512454092502594, 8.71422958374023, -99.2480545043945, 104.31852722168, -0.283683836460114, 0.298176914453506, 203.566589355469, -15.9194183349609, 9.16542720794678, 0.0, -0.0455029755830765, 0.0261978283524513, 25.0848445892334, 59.6747131347656, 349.854461669922, -34.7223739624023, -5.56947946548462, 0.247514575719833, 21.8915500640869, 10.2284488677979, 62.7234268188477, 1.0, 0.0, 11.842209815979, 0.184891924262047, 36.4962997436523, 3.20656538009644
-InChI%3D1S%2FC7H3Cl5O%2Fc1-13-7-5%2811%293%289%292%288%294%2810%296%287%2912%2Fh1H3, 0.0, 0.967026472091675, 0.560452342033386, 311.298370361328, 122.273765563965, 0.717985212802887, 0.282014816999435, -189.024612426758, -302.925079345703, 118.984855651855, -0.698672890663147, 0.274429202079773, 421.909942626953, -42.2709312438965, 9.76814460754395, 14.2963895797729, -0.0974945724010468, 0.0225294567644596, 52.0390739440918, 134.970306396484, 419.275756835938, -131.339874267578, -18.3274974822998, 0.354042232036591, 26.0223789215088, 7.29562091827393, 53.0144958496094, 0.0, 0.0329734981060028, 5.06152582168579, 0.135009005665779, 51.5885162353516, 4.23519515991211
-InChI%3D1S%2FC13H12N4.ClH%2Fc1-17-11-7-10%289-5-3-2-4-6-9%298-15-12%2811%2916-13%2817%2914%3B%2Fh2-8H%2C1H3%2C%28H2%2C14%2C15%2C16%29%3B1H, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 38.1283073425293, 18.5916900634766, , 4.0, , , , , 
-InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, 2.0, 0.633582770824432, 7.62136220932007, 79.0854873657227, 170.1796875, 0.317274510860443, 0.682725489139557, 91.0941925048828, -49.9428863525391, 107.469337463379, -0.200360476970673, 0.431144595146179, 157.412216186523, -21.7463111877441, 17.4472122192383, 91.3350524902344, -0.0872416794300079, 0.0699945837259293, 39.1935234069824, 19.7132568359375, 157.930114746094, -12.4490222930908, -5.42059803009033, 0.552041709423065, 8.75596523284912, 5.46603488922119, 42.4198684692383, 2.0, 0.366417199373245, 17.9539775848389, 0.346942931413651, 26.7883625030518, 4.34898233413696
-InChI%3D1S%2FC4H8N2S4.Mn%2Fc7-3%288%295-1-2-6-4%289%2910%3B%2Fh1-2H2%2C%28H2%2C5%2C7%2C8%29%28H2%2C6%2C9%2C10%29%3B%2Fq%3B%2B2%2Fp-2, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 34.2407569885254, 16.0392417907715, , 2.0, , , , , 
-InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29, 2.0, 0.72168904542923, 1.94460344314575, 123.081687927246, 226.226150512695, 0.352358788251877, 0.647641241550446, 103.144470214844, -130.298477172852, 239.490737915039, -0.373019069433212, 0.685615122318268, 369.789215087891, -26.8371887207031, 22.8656826019287, 97.2162017822266, -0.076829619705677, 0.0654599741101265, 49.7028732299805, 42.9933967590332, 252.091644287109, -45.5142784118652, -9.37444019317627, 0.258414387702942, 19.3295516967773, 8.61044883728027, 79.0225677490234, 4.0, 0.27831095457077, 8.54420375823975, 0.230724766850471, 83.6559906005859, 7.9871621131897
-InChI%3D1S%2FC8H16N2O3%2Fc1-3-5-6-7-10%289-12%298%2811%2913-4-2%2Fh3-7H2%2C1-2H3, 0.0, 0.903772115707397, 2.11908173561096, 104.733283996582, 340.200347900391, 0.235390797257423, 0.764609217643738, 235.467071533203, -104.832237243652, 340.521759033203, -0.235613197088242, 0.765331566333771, 445.35400390625, -16.6288776397705, 12.5859756469727, 42.815013885498, -0.0373738408088684, 0.0282873082906008, 29.2148532867432, 46.5993614196777, 402.118621826172, -46.6433868408203, -7.39874744415283, 0.301293849945068, 29.3546886444092, 21.9833126068115, 151.366577148438, 3.0, 0.0962278693914413, 0.566313445568085, 0.362270295619965, 151.509582519531, 5.59992361068726
-InChI%3D1S%2FC3H5N3O4%2Fc4-3%289%296%285-10%291-2%287%298%2Fh1H2%2C%28H2%2C4%2C9%29%28H%2C7%2C8%29, 3.0, 0.353070080280304, 5.41738843917847, 193.665924072266, 157.792221069336, 0.551035523414612, 0.448964476585388, -35.873706817627, -272.791656494141, 222.261093139648, -0.776171147823334, 0.632397055625916, 495.052764892578, -51.3236999511719, 25.8162956237793, 227.368789672852, -0.146030768752098, 0.0734548196196556, 77.1399917602539, 68.0654678344727, 124.089347839355, -95.8748474121094, -18.0381317138672, 0.237448588013649, 15.1219654083252, 8.04203510284424, 55.4573593139648, 5.0, 0.646929919719696, 9.34545135498047, 0.195751592516899, 78.1154708862305, 9.0733470916748
-InChI%3D1S%2FC6H6N2O3%2Fc7-5-3-4%288%2810%2911%291-2-6%285%299%2Fh1-3%2C9H%2C7H2, 2.0, 0.79680061340332, 5.34820795059204, 189.540893554688, 164.094314575195, 0.535978555679321, 0.464021414518356, -25.4465808868408, -185.833847045898, 160.884948730469, -0.525495827198029, 0.454946041107178, 346.718780517578, -28.5984897613525, 17.9740715026855, 71.8584671020508, -0.0808700248599052, 0.0508265867829323, 46.5725593566895, 67.0283355712891, 281.776763916016, -65.7173919677734, -10.1134328842163, 0.365949690341949, 19.1667575836182, 7.15524196624756, 58.0295295715332, 1.0, 0.203199401497841, 10.2133951187134, 0.222205117344856, 56.8945808410645, 6.35626459121704
-InChI%3D1S%2FC4Cl6%2Fc5-1%283%287%298%292%286%294%289%2910, 0.0, 1.0, 0.591179370880127, 357.1865234375, 5.03178405761719, 0.986108422279358, 0.0138915795832872, -352.154724121094, -242.534439086914, 3.41664886474609, -0.669580817222595, 0.00943256821483374, 245.951080322266, -40.3201370239258, 0.957969903945923, 0.0, -0.111314460635185, 0.0026447307318449, 41.2781066894531, 129.379501342773, 362.218292236328, -87.8504104614258, -14.6046915054321, 0.183313235640526, 20.1200008392334, 2.51999998092651, 1.82260429859161, 0.0, 0.0, 10.3569049835205, 0.289203733205795, 1.2375727891922, 0.34699422121048
-InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2, 1.0, 0.583556294441223, 12.7036104202271, 70.8269348144531, 210.166061401367, 0.252059429883957, 0.747940599918365, 139.339126586914, -54.0420722961426, 160.36003112793, -0.192325323820114, 0.570690453052521, 214.402099609375, -26.9350090026855, 20.1277980804443, 117.017776489258, -0.0958565101027489, 0.0716309547424316, 47.0628089904785, 19.9018745422363, 163.975234985352, -15.1854438781738, -7.56854915618896, 0.515052974224091, 10.8847579956055, 8.47524166107178, 59.0551948547363, 2.0, 0.416443735361099, 16.3109531402588, 0.275024473667145, 45.0600471496582, 5.65577030181885
-InChI%3D1S%2FC3H5NO%2Fc1-2-3%284%295%2Fh2H%2C1H2%2C%28H2%2C4%2C5%29, 2.0, 0.714286386966705, 6.59957838058472, 132.248138427734, 176.659973144531, 0.428114801645279, 0.571885168552399, 44.4118347167969, -97.6664199829102, 130.464965820312, -0.316166609525681, 0.422342300415039, 228.131378173828, -23.3703174591064, 20.9988918304443, 88.2592544555664, -0.0756545960903168, 0.0679777935147285, 44.3692092895508, 40.8525199890137, 220.648849487305, -30.1699485778809, -7.21928071975708, 0.467325210571289, 10.515965461731, 5.46603488922119, 54.5716972351074, 2.0, 0.285713642835617, 12.2574892044067, 0.297137260437012, 40.3016815185547, 6.48672771453857
-InChI%3D1S%2FC2H7AsO2%2Fc1-3%282%2C4%295%2Fh1-2H3%2C%28H%2C4%2C5%29, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 14.1015510559082, 18.8104496002197, , 2.0, , , , , 
-InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3, 0.0, 1.0, 4.1283130645752, 108.162727355957, 137.310180664062, 0.440629988908768, 0.55936998128891, 29.1474514007568, -28.6999168395996, 36.4339065551758, -0.116916842758656, 0.148423328995705, 65.1338272094727, -14.3499584197998, 6.58062124252319, 0.0, -0.0584584213793278, 0.0268079321831465, 20.9305801391602, 26.5510196685791, 245.472900390625, -7.04505205154419, -3.52252602577209, 0.5, 6.46437883377075, 4.53562116622925, 33.7059288024902, 0.0, 0.0, 26.4853439331055, 0.333176523447037, 8.94353675842285, 1.61536419391632
-InChI%3D1S%2FC12H11N3.C2H4O2%2Fc1-7-6-9-8-4-2-3-5-10%288%2914-12%289%2915-11%287%2913%3B1-2%283%294%2Fh2-6H%2C1H3%2C%28H3%2C13%2C14%2C15%29%3B1H3%2C%28H%2C3%2C4%29, 3.0, , , , , , , , , , , , , , , , , , , , , , , , 40.2126884460449, 20.4293117523193, , 5.0, , , , , 
-InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29, 4.0, 0.750259697437286, 7.81399965286255, 78.2551116943359, 192.753173828125, 0.288755416870117, 0.711244583129883, 114.498062133789, -75.2882461547852, 185.445373535156, -0.277807921171188, 0.684279382228851, 260.733612060547, -19.8549423217773, 25.0929927825928, 67.6816864013672, -0.0732632279396057, 0.0925912335515022, 44.9479331970215, 21.2077827453613, 203.326599121094, -20.4037380218506, -5.3808536529541, 0.288775503635406, 11.9207582473755, 7.21924209594727, 52.2377052307129, 4.0, 0.249740287661552, 11.3033313751221, 0.196890890598297, 50.2572326660156, 6.80040836334229
-InChI%3D1S%2FC7H11N5O2%2Fc1-8-7%2813%295-6%2812%283%2910-14%299-4-11%285%292%2Fh4H%2C1-3H3%2C%28H%2C8%2C13%29, 2.0, 0.827518463134766, 3.51317691802979, 101.092437744141, 313.579284667969, 0.243789076805115, 0.756210923194885, 212.486846923828, -148.443954467773, 460.459259033203, -0.357979446649551, 1.11041879653931, 608.903198242188, -20.6314830780029, 19.9520492553711, 71.5232162475586, -0.0497537739574909, 0.048115286976099, 40.5835304260254, 41.9201736450195, 343.148498535156, -61.5555076599121, -8.5552921295166, 0.236307725310326, 29.425895690918, 21.9761047363281, 130.032455444336, 5.0, 0.172481536865234, 4.42819261550903, 0.14925642311573, 190.939437866211, 8.27355098724365
-InChI%3D1S%2FC14H15N3%2Fc1-10-5-3-4-6-14%2810%2917-16-12-7-8-13%2815%2911%282%299-12%2Fh3-9H%2C15H2%2C1-2H3%2Fb17-16%2B, 1.0, 0.970132410526276, 3.50491809844971, 227.258529663086, 372.289947509766, 0.379049450159073, 0.620950520038605, 145.031433105469, -238.546768188477, 390.782104492188, -0.397877365350723, 0.651794016361237, 629.328857421875, -17.0909252166748, 21.5066070556641, 17.9070777893066, -0.0285063274204731, 0.0358713380992413, 38.5975341796875, 136.252502441406, 581.641418457031, -143.020355224609, -10.2468385696411, 0.287922322750092, 37.94189453125, 17.05810546875, 223.205871582031, 3.0, 0.0298676062375307, 5.15584754943848, 0.11823546141386, 234.292816162109, 12.8942537307739
-InChI%3D1S%2FC19H17N3.ClH%2Fc20-16-7-1-13%282-8-16%2919%2814-3-9-17%2821%2910-4-14%2915-5-11-18%2822%2912-6-15%3B%2Fh1-12%2C20H%2C21-22H2%3B1H, 3.0, , , , , , , , , , , , , , , , , , , , , , , , 50.9222755432129, 18.7777252197266, , 3.0, , , , , 
-InChI%3D1S%2FC7H5NO4%2Fc9-7%2810%295-1-3-6%284-2-5%298%2811%2912%2Fh1-4H%2C%28H%2C9%2C10%29, 1.0, 0.683115124702454, 3.96516752243042, 210.46484375, 173.413299560547, 0.548259496688843, 0.451740473508835, -37.0515518188477, -209.564010620117, 172.671051025391, -0.545912861824036, 0.449806928634644, 382.235046386719, -33.5898132324219, 20.3636798858643, 121.64518737793, -0.087501235306263, 0.0530472509562969, 53.9534950256348, 80.792854309082, 262.232971191406, -80.4470443725586, -12.8943948745728, 0.329093456268311, 19.9619655609131, 7.68003511428833, 66.5695724487305, 2.0, 0.316884905099869, 8.96920299530029, 0.291860789060593, 66.2846450805664, 7.81717205047607
-InChI%3D1S%2FC8Cl4N2%2Fc9-5-3%281-13%296%2810%298%2812%297%2811%294%285%292-14, 0.0, 0.766332924365997, 7.05009078979492, 360.513732910156, 108.623641967773, 0.768460929393768, 0.231539100408554, -251.890090942383, -367.386077880859, 110.694297790527, -0.783109784126282, 0.235952839255333, 478.080383300781, -59.8672142028809, 15.11878490448, 109.621948242188, -0.127611264586449, 0.032226774841547, 74.9860000610352, 169.130462646484, 359.515411376953, -172.354537963867, -28.0859489440918, 0.25131094455719, 25.0, 3.0, 50.9594078063965, 2.0, 0.233667060732841, 13.7745981216431, 0.15365169942379, 51.9308319091797, 7.09278678894043
-InChI%3D1S%2FC9H10N4S%2Fc10-7-3-1-6%282-4-7%298-5-14-9%2812-8%2913-11%2Fh1-5H%2C10-11H2%2C%28H%2C12%2C13%29, 4.0, 0.838578581809998, 2.02380275726318, 148.048141479492, 291.672698974609, 0.336686670780182, 0.663313329219818, 143.624557495117, -213.551818847656, 420.722839355469, -0.485653191804886, 0.956795334815979, 634.274658203125, -25.289966583252, 26.5541877746582, 70.9803619384766, -0.0575136877596378, 0.0603887401521206, 51.8441543579102, 65.099853515625, 368.740478515625, -93.9031829833984, -11.1205253601074, 0.209673345088959, 32.4751014709473, 16.2648983001709, 128.25456237793, 4.0, 0.161421418190002, 4.57596397399902, 0.0993306338787079, 185.000595092773, 11.6764297485352
-InChI%3D1S%2FC7H10N2%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C8-9H2%2C1H3, 2.0, 0.886488318443298, 3.27918362617493, 86.5583419799805, 247.115097045898, 0.259410351514816, 0.740589678287506, 160.556747436523, -69.428466796875, 198.211090087891, -0.208073109388351, 0.594027161598206, 267.639556884766, -13.4368238449097, 18.3549499511719, 37.8758277893066, -0.0402693822979927, 0.0550087243318558, 31.7917747497559, 28.8822174072266, 295.797607421875, -23.1664352416992, -4.48351097106934, 0.377007991075516, 21.1879291534424, 9.61207008361816, 82.4557418823242, 2.0, 0.11351166665554, 7.77266120910645, 0.154730126261711, 66.1377716064453, 6.12455940246582
-InChI%3D1S%2FC6H8N2.2ClH%2Fc7-5-3-1-2-4-6%285%298%3B%3B%2Fh1-4H%2C7-8H2%3B2%2A1H, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 23.7879295349121, 10.4520702362061, , 2.0, , , , , 
-InChI%3D1S%2FC15H22O3%2Fc1-11-6-7-12%282%2913%2810-11%2918-9-5-8-15%283%2C4%2914%2816%2917%2Fh6-7%2C10H%2C5%2C8-9H2%2C1-4H3%2C%28H%2C16%2C17%29, 1.0, 0.847978234291077, 0.214427903294563, 162.840347290039, 421.731842041016, 0.278563290834427, 0.721436738967896, 258.891510009766, -227.452377319336, 589.067199707031, -0.389092028141022, 1.00768947601318, 816.519592285156, -26.5188865661621, 16.8009395599365, 88.8676910400391, -0.0453646071255207, 0.0287405718117952, 43.31982421875, 95.1919403076172, 495.704498291016, -132.962341308594, -15.5022039413452, 0.247099101543427, 43.4754447937012, 26.9245548248291, 246.53271484375, 2.0, 0.152021750807762, 0.752969920635223, 0.189398601651192, 344.352325439453, 9.82136154174805
-InChI%3D1S%2FC12H14N4.4ClH%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%3B%3B%3B%3B%2Fh1-6H%2C13-16H2%3B4%2A1H, 4.0, , , , , , , , , , , , , , , , , , , , , , , , 46.2422752380371, 18.7177257537842, , 4.0, , , , , 
-InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H, 0.0, 0.702096581459045, 12.1642713546753, 126.768676757812, 233.105026245117, 0.352258801460266, 0.647741198539734, 106.336349487305, -99.3373870849609, 182.663772583008, -0.276034027338028, 0.507577419281006, 282.001159667969, -21.9394264221191, 19.4870738983154, 107.207618713379, -0.0609642378985882, 0.054149754345417, 41.4265022277832, 45.6207160949707, 252.666091918945, -35.7489128112793, -7.89542293548584, 0.354353904724121, 22.7783432006836, 11.6196556091309, 83.8883743286133, 1.0, 0.297903448343277, 7.11457538604736, 0.340491086244583, 65.7358856201172, 7.01288557052612
-InChI%3D1S%2FC4H10N2O3%2Fc1-6%285-9%292-4%288%293-7%2Fh4%2C7-8H%2C2-3H2%2C1H3, 2.0, 0.711178004741669, 3.13270354270935, 115.75708770752, 228.308044433594, 0.336439460515976, 0.663560569286346, 112.550956726074, -124.455078125, 245.463119506836, -0.361719518899918, 0.713420510292053, 369.918182373047, -29.6470031738281, 17.3856811523438, 99.3735809326172, -0.0861668363213539, 0.050530206412077, 47.0326843261719, 39.8279762268066, 244.691543579102, -42.8206520080566, -10.2005004882812, 0.365571349859238, 18.3139305114746, 12.55006980896, 78.5528411865234, 3.0, 0.288821995258331, 9.33871841430664, 0.195593938231468, 84.4552993774414, 5.98180675506592
-InChI%3D1S%2FC14H12FNO%2Fc1-10%2817%2916-14-8-4-12%285-9-14%2911-2-6-13%2815%297-3-11%2Fh2-9H%2C1H3%2C%28H%2C16%2C17%29, 1.0, 0.742782354354858, 5.46938943862915, 191.745468139648, 302.625946044922, 0.387857109308243, 0.61214292049408, 110.880493164062, -220.404968261719, 347.858367919922, -0.445828706026077, 0.703637659549713, 568.263305664062, -29.0637073516846, 21.9843235015869, 127.161056518555, -0.05878921225667, 0.0444692447781563, 51.0480308532715, 94.7934799194336, 367.210357666016, -108.9619140625, -14.3682661056519, 0.302912414073944, 35.1005172729492, 15.6414842605591, 149.609619140625, 2.0, 0.257217645645142, 10.4123077392578, 0.190622225403786, 171.971237182617, 10.8684215545654
-InChI%3D1S%2FC6H7ClN2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H%2C8-9H2, 2.0, 0.898972511291504, 2.68034934997559, 141.444839477539, 190.023452758789, 0.426722079515457, 0.57327789068222, 48.5786094665527, -116.961433410645, 157.131317138672, -0.352858573198318, 0.474046289920807, 274.092742919922, -20.6141300201416, 17.769947052002, 33.4874153137207, -0.0621903538703918, 0.0536097921431065, 38.3840751647949, 46.8844795227051, 297.980895996094, -38.7690048217773, -6.83293056488037, 0.364190459251404, 19.607551574707, 6.75244903564453, 62.9867515563965, 2.0, 0.101027503609657, 4.75174856185913, 0.150138646364212, 52.0840492248535, 5.89017391204834
-InChI%3D1S%2FC18H15N3O%2Fc1-21%2820-22%2916-10-7-14%288-11-16%296-9-15-12-13-19-18-5-3-2-4-17%2815%2918%2Fh2-13H%2C1H3, 0.0, 0.957232058048248, 2.48651003837585, 208.363418579102, 380.438079833984, 0.35387721657753, 0.646122813224792, 172.074645996094, -229.584426879883, 419.184204101562, -0.389918208122253, 0.711927890777588, 648.768615722656, -19.5080547332764, 21.6045742034912, 25.1818294525146, -0.0331318043172359, 0.0366924554109573, 41.1126289367676, 122.684692382812, 563.619689941406, -135.179656982422, -11.4863719940186, 0.231967225670815, 45.7838935852051, 19.3361053466797, 224.002502441406, 2.0, 0.0427679419517517, 5.84135913848877, 0.0757920667529106, 246.816284179688, 12.7208051681519
-InChI%3D1S%2FC24H26FNO4%2Fc1-15%282%2926-21-6-4-3-5-20%2821%2924%2816-7-9-17%2825%2910-8-16%2922%2826%2912-11-18%2827%2913-19%2828%2914-23%2829%2930%2Fh3-12%2C15%2C18-19%2C27-28H%2C13-14H2%2C1-2H3%2C%28H%2C29%2C30%29%2Fb12-11%2B%2Ft18-%2C19-%2Fm1%2Fs1, 3.0, 0.706234991550446, 0.470519423484802, 235.90966796875, 424.325897216797, 0.357311367988586, 0.642688632011414, 188.416213989258, -593.526000976562, 1067.56298828125, -0.898960947990417, 1.61694264411926, 1661.08898925781, -47.5292015075684, 29.2535076141357, 193.954086303711, -0.0719882473349571, 0.0443076826632023, 76.7827072143555, 155.755950927734, 466.281463623047, -391.866943359375, -31.3804683685303, 0.155744194984436, 65.7752075195312, 34.7507972717285, 280.155029296875, 5.0, 0.293764978647232, 3.95639276504517, 0.103899396955967, 704.843078613281, 19.3142070770264
-InChI%3D1S%2FC9H10N4O4%2Fc1-6-5-12%289%2814%2911-6%2910-4-7-2-3-8%2817-7%2913%2815%2916%2Fh2-4%2C6H%2C5H2%2C1H3%2C%28H%2C11%2C14%29%2Fb10-4%2B, 1.0, 0.795948624610901, 1.43441677093506, 210.316070556641, 270.160766601562, 0.437723636627197, 0.562276363372803, 59.8446960449219, -317.731292724609, 408.140594482422, -0.661283254623413, 0.849449038505554, 725.871887207031, -32.9026756286621, 20.7440071105957, 98.0419616699219, -0.0684792101383209, 0.0431737899780273, 53.6466827392578, 101.052001953125, 382.434875488281, -152.662521362305, -15.8089733123779, 0.221331477165222, 30.115930557251, 17.4040699005127, 129.805999755859, 4.0, 0.20405139029026, 5.16237735748291, 0.155670285224915, 196.102111816406, 9.96701526641846
-InChI%3D1S%2FC2H2ClF3%2Fc3-1-2%284%2C5%296%2Fh1H2, 0.0, 0.942668676376343, 9.155198097229, 199.951309204102, 62.8005027770996, 0.760989248752594, 0.239010736346245, -137.150802612305, -134.117980957031, 42.1236343383789, -0.510435938835144, 0.160317197442055, 176.241607666016, -33.4101943969727, 9.13321113586426, 15.0639038085938, -0.127154946327209, 0.0347598418593407, 42.5434036254883, 52.5375709533691, 247.687911987305, -35.2397422790527, -8.77858924865723, 0.251916706562042, 8.70458602905273, 6.21541404724121, 16.5009460449219, 0.0, 0.0573313049972057, 9.8312292098999, 0.607757329940796, 11.0680618286133, 2.39976787567139
-InChI%3D1S%2FC6H9NO6.3Na.H2O%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%3B%3B%3B%3B%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29%3B%3B%3B%3B1H2%2Fq%3B3%2A%2B1%3B%2Fp-3, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 93.4083404541016, 14.557656288147, , 8.0, , , , , 
-InChI%3D1S%2FH4N2.H2O4S%2Fc1-2%3B1-5%282%2C3%294%2Fh1-2H2%3B%28H2%2C1%2C2%2C3%2C4%29, 4.0, , , , , , , , , , , , , , , , , , , , , , , , 12.3087577819824, 10.3952417373657, , 6.0, , , , , 
-InChI%3D1S%2FC18H16N2O7S2.2Na%2Fc1-10-3-6-15%2811%282%297-10%2919-20-17-14-5-4-13%2828%2822%2C23%2924%298-12%2814%299-16%2818%2817%2921%2929%2825%2C26%2927%3B%3B%2Fh3-9%2C21H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb20-19%2B%3B%3B, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 101.8291015625, 31.49289894104, , 8.0, , , , , 
-InChI%3D1S%2FC8H8N4O4%2Fc13-8-9-3-4-11%288%2910-5-6-1-2-7%2816-6%2912%2814%2915%2Fh1-2%2C5H%2C3-4H2%2C%28H%2C9%2C13%29, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 27.0223445892334, 15.2176561355591, , 4.0, , , , , 
-InChI%3D1S%2FC4H6O2%2Fc1-3-6-4%282%295%2Fh3H%2C1H2%2C2H3, 0.0, 0.777664542198181, 3.08052444458008, 94.0387268066406, 218.167114257812, 0.301207453012466, 0.698792576789856, 124.128395080566, -59.0301742553711, 136.948287963867, -0.189074531197548, 0.438647419214249, 195.978469848633, -19.3173542022705, 12.1406850814819, 69.4144287109375, -0.0618737787008286, 0.038886796683073, 31.4580402374268, 29.3594398498535, 242.791412353516, -18.4295654296875, -6.0309910774231, 0.456663727760315, 12.6447582244873, 9.43324184417725, 68.1130447387695, 2.0, 0.222335457801819, 9.11669063568115, 0.418607264757156, 42.7560577392578, 3.79039287567139
-InChI%3D1S%2FC9H12N2O2%2Fc1-2-13-8-5-3-7%284-6-8%2911-9%2810%2912%2Fh3-6H%2C2H2%2C1H3%2C%28H3%2C10%2C11%2C12%29, 3.0, 0.744849324226379, 3.53310537338257, 133.997039794922, 287.768524169922, 0.317705035209656, 0.682294964790344, 153.771484375, -181.708740234375, 390.23291015625, -0.430828779935837, 0.925236582756042, 571.941650390625, -25.3511085510254, 23.0472202301025, 107.613777160645, -0.0601071119308472, 0.054644625633955, 48.3983306884766, 56.5153312683105, 314.151763916016, -76.6384887695312, -10.6922245025635, 0.255200922489166, 27.6455154418945, 15.694483757019, 121.37084197998, 3.0, 0.255150705575943, 2.86352610588074, 0.162802949547768, 164.586791992188, 9.72052383422852
-InChI%3D1S%2FC22H32O2%2Fc1-17%289-7-10-18%282%2914-16-24-20%284%2923%2912-13-21-19%283%2911-8-15-22%2821%2C5%296%2Fh7%2C9-10%2C12-14H%2C8%2C11%2C15-16H2%2C1-6H3, 0.0, 0.883278012275696, 1.34827291965485, 141.01416015625, 502.914886474609, 0.218990221619606, 0.781009793281555, 361.900726318359, -213.508666992188, 761.460327148438, -0.331571727991104, 1.18252205848694, 974.968994140625, -22.4789352416992, 19.5797882080078, 75.1606903076172, -0.0349090248346329, 0.0304067470133305, 42.058723449707, 90.8031158447266, 568.768371582031, -137.484436035156, -14.4748401641846, 0.205830737948418, 61.661376953125, 37.8566246032715, 323.841522216797, 2.0, 0.116722002625465, 3.29434609413147, 0.170805588364601, 490.326416015625, 12.6079940795898
-InChI%3D1S%2FC7H8O3%2Fc1-10-6-4-2-3-5%288%297%286%299%2Fh2-4%2C8-9H%2C1H3, 2.0, 0.678903520107269, 2.77599191665649, 134.164810180664, 207.202011108398, 0.393022418022156, 0.606977581977844, 73.0372009277344, -157.557113647461, 243.328720092773, -0.461547821760178, 0.712807178497314, 400.885833740234, -30.2140502929688, 17.8668689727783, 109.611686706543, -0.0885090380907059, 0.0523392111063004, 48.0809173583984, 45.7994117736816, 231.755126953125, -53.7847709655762, -10.3140735626221, 0.304581612348557, 20.0603446960449, 10.6616563796997, 70.7318878173828, 0.0, 0.321096509695053, 11.5713005065918, 0.185629159212112, 83.0643463134766, 6.09915637969971
-InChI%3D1S%2FC9H10N4O3S%2Fc1-12%282%2911-9-10-6%285-17-9%297-3-4-8%2816-7%2913%2814%2915%2Fh3-5H%2C1-2H3%2C%28H%2C10%2C11%29, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 32.2139282226562, 19.0240707397461, , 3.0, , , , , 
-InChI%3D1S%2FC6H5N2O2.H3N%2Fc9-7-8%2810%296-4-2-1-3-5-6%3B%2Fh1-5H%3B1H3%2Fq-1%3B%2Fp%2B1, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 21.4651374816895, 8.45486259460449, , 0.0, , , , , 
-InChI%3D1S%2FC8H10%2Fc1-7-4-3-5-8%282%296-7%2Fh3-6H%2C1-2H3, 0.0, 1.0, 2.30621838569641, 91.1696395874023, 248.607574462891, 0.268321812152863, 0.731678187847137, 157.437942504883, -37.8005180358887, 103.077026367188, -0.111250884830952, 0.303366482257843, 140.877532958984, -4.94251346588135, 9.88434886932373, 0.0, -0.0145463347434998, 0.0290906745940447, 14.8268623352051, 30.977367401123, 339.777221679688, -12.8437547683716, -1.67935335636139, 0.147755309939384, 20.7479305267334, 10.9320697784424, 84.47119140625, 0.0, 0.0, 2.0073766708374, 0.150215804576874, 35.0232238769531, 3.35847640037537
-InChI%3D1S%2F2C3H7NS2.Zn%2Fc2%2A1-4%282%293%285%296%3B%2Fh2%2A1-2H3%2C%28H%2C5%2C6%29%3B%2Fq%3B%3B%2B2%2Fp-2, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 39.4615173339844, 21.6384830474854, , 2.0, , , , , 
-InChI%3D1S%2FC13H28N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-15%282%2914-16%2Fh3-13H2%2C1-2H3, 0.0, 1.0, 0.769391775131226, 67.8511962890625, 506.293731689453, 0.118177816271782, 0.881822168827057, 438.442535400391, -59.7161979675293, 445.591827392578, -0.104008927941322, 0.776096403598785, 505.308013916016, -7.95188856124878, 14.7164287567139, 0.0, -0.0138499671593308, 0.0256319064646959, 22.6683177947998, 38.9564170837402, 574.144958496094, -34.2857513427734, -4.56553649902344, 0.188587740063667, 44.5522041320801, 32.2277946472168, 290.685974121094, 1.0, 0.0, 0.866481304168701, 0.0510710850358009, 255.834289550781, 8.44936275482178
-InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2, 0.0, 0.805919229984283, 28.2096347808838, 111.2294921875, 211.853622436523, 0.344275176525116, 0.655724823474884, 100.624130249023, -38.3933181762695, 73.1259613037109, -0.118834175169468, 0.226337909698486, 111.51927947998, -20.3992710113525, 16.9713859558105, 62.7042274475098, -0.0631393864750862, 0.0525294728577137, 37.3706588745117, 35.9363708496094, 260.37890625, -12.4042329788208, -6.59066009521484, 0.745722830295563, 8.38037872314453, 3.93962097167969, 68.4463348388672, 1.0, 0.194080784916878, 46.7599716186523, 0.416630834341049, 23.6257629394531, 5.48316860198975
-InChI%3D1S%2FC2H5N5O3%2Fc1-6%285-8%292%283%294-7%289%2910%2Fh1H3%2C%28H2%2C3%2C4%29, 2.0, 0.902692973613739, 0.655455410480499, 169.926712036133, 174.214996337891, 0.493769586086273, 0.506230413913727, 4.28828191757202, -142.48860168457, 146.084457397461, -0.414040505886078, 0.424489259719849, 288.573059082031, -25.2313213348389, 11.0984210968018, 33.4874153137207, -0.0733166635036469, 0.0322495698928833, 36.3297424316406, 58.4788665771484, 310.654296875, -49.0362701416016, -8.68314933776855, 0.328821033239365, 14.7599649429321, 7.68003511428833, 59.9546432495117, 3.0, 0.0973070487380028, 11.0113668441772, 0.231578692793846, 50.273754119873, 3.81942963600159
-InChI%3D1S%2FC6H12N2OS2%2Fc1-4-8%287-9%295%282%2911-6%283%2910-4%2Fh4-6H%2C1-3H3, 0.0, 1.0, 0.0, 120.675178527832, 235.765670776367, 0.338555961847305, 0.661444008350372, 115.090484619141, -77.3106155395508, 151.043395996094, -0.216896072030067, 0.42375448346138, 228.354019165039, -14.0042295455933, 7.50525760650635, 0.0, -0.0392890684306622, 0.0210561100393534, 21.5094871520996, 43.0135612487793, 356.440826416016, -27.556661605835, -4.99167919158936, 0.214725717902184, 27.3635158538818, 19.2964839935303, 84.0365142822266, 1.0, 0.0, 0.0379451662302017, 0.124115839600563, 53.8380393981934, 2.67518043518066
-InChI%3D1S%2FC10H15N3O2%2Fc1-13%2812-15%297-3-5-10%2814%299-4-2-6-11-8-9%2Fh2%2C4%2C6%2C8%2C10%2C14H%2C3%2C5%2C7H2%2C1H3, 1.0, 0.845542728900909, 4.02399730682373, 127.566017150879, 318.274078369141, 0.286125034093857, 0.713874936103821, 190.708053588867, -140.600234985352, 350.794128417969, -0.315360248088837, 0.78681606054306, 491.394378662109, -23.4286975860596, 18.8703556060791, 68.8632354736328, -0.0525495558977127, 0.0423253886401653, 42.2990531921387, 56.8740425109863, 376.976837158203, -62.6852226257324, -10.4454526901245, 0.351813137531281, 32.5058937072754, 19.3361053466797, 141.899337768555, 3.0, 0.154457256197929, 6.95335149765015, 0.191071271896362, 156.398086547852, 8.41316032409668
-InChI%3D1S%2FC9H7N3O4S%2Fc1-5%2813%2910-9-11-6%284-17-9%297-2-3-8%2816-7%2912%2814%2915%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C13%29, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 29.9155502319336, 15.7444486618042, , 3.0, , , , , 
-InChI%3D1S%2FC3H8N2O%2Fc1-3-4-5%282%296%2Fh3H2%2C1-2H3, 0.0, 1.0, 1.76947367191315, 66.0689315795898, 218.744384765625, 0.231972754001617, 0.768027245998383, 152.67546081543, -30.4247417449951, 100.731788635254, -0.106823451817036, 0.353676527738571, 131.156524658203, -9.27850818634033, 9.18683624267578, 0.0, -0.0325775071978569, 0.0322556421160698, 18.4653434753418, 18.817310333252, 284.813323974609, -8.66537094116211, -2.64264249801636, 0.383498460054398, 13.6163444519043, 10.3636560440063, 62.3013114929199, 1.0, 0.0, 5.60230112075806, 0.148850500583649, 28.689754486084, 2.61653327941895
-InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H, 1.0, 0.854746580123901, 6.26525259017944, 321.491516113281, 66.9666137695312, 0.827609181404114, 0.172390818595886, -254.524887084961, -315.974945068359, 65.817512512207, -0.813408017158508, 0.16943271458149, 381.792449951172, -46.778865814209, 11.0755338668823, 56.424861907959, -0.120421901345253, 0.0285115260630846, 57.8543968200684, 124.885986328125, 332.033264160156, -122.743034362793, -18.1716289520264, 0.362385421991348, 22.9287929534912, 3.19320702552795, 26.0137252807617, 0.0, 0.145253390073776, 10.1861610412598, 0.221260190010071, 25.5673484802246, 4.30238103866577
-InChI%3D1S%2FC10H13N5O3S%2Fc11-10-13-8-7%289%2819%2914-10%2912-3-15%288%296-1-4%2817%295%282-16%2918-6%2Fh3-6%2C16-17H%2C1-2H2%2C%28H3%2C11%2C13%2C14%2C19%29%2Ft4-%2C5%3F%2C6%2B%2Fm0%2Fs1, 6.0, 0.73622739315033, 1.96009576320648, 199.525375366211, 445.378204345703, 0.309387922286987, 0.690612077713013, 245.852813720703, -521.268920898438, 1163.5703125, -0.808289706707001, 1.80425477027893, 1684.83923339844, -54.586727142334, 44.3424758911133, 170.107894897461, -0.0846432372927666, 0.0687583014369011, 98.92919921875, 128.674621582031, 474.795684814453, -336.168182373047, -35.2031745910645, 0.150420859456062, 41.075065612793, 28.9269332885742, 287.225982666016, 8.0, 0.26377260684967, 5.02063131332397, 0.0804756805300713, 750.390625, 28.5966186523438
-InChI%3D1S%2FC6H7N3O%2Fc1-9%288-10%296-4-2-3-5-7-6%2Fh2-5H%2C1H3, 0.0, 0.966695308685303, 1.40867269039154, 102.077278137207, 219.819915771484, 0.317111402750015, 0.682888567447662, 117.742645263672, -62.5996780395508, 134.806274414062, -0.194471031427383, 0.418786704540253, 197.405944824219, -10.9292078018188, 12.0018854141235, 10.720685005188, -0.0339524783194065, 0.0372848398983479, 22.9310932159424, 32.8583869934082, 311.176513671875, -20.1506614685059, -3.5180811882019, 0.395191729068756, 19.3295516967773, 10.5904493331909, 70.7594146728516, 2.0, 0.0333046838641167, 4.2367262840271, 0.213298976421356, 43.3937606811523, 3.86337327957153
-InChI%3D1S%2FC19H30O5%2Fc1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18%2823-15-24-19%2912-16%2817%296-4-2%2Fh12-13H%2C3-11%2C14-15H2%2C1-2H3, 0.0, 0.877361953258514, 0.359884053468704, 120.260162353516, 543.653442382812, 0.181138262152672, 0.818861722946167, 423.393310546875, -259.410247802734, 1172.70153808594, -0.390728920698166, 1.76634657382965, 1432.11181640625, -29.6980686187744, 25.1130104064941, 81.4210739135742, -0.0447318255901337, 0.0378257185220718, 54.8110771179199, 79.8423538208008, 582.492553710938, -172.225997924805, -19.7169513702393, 0.175373822450638, 57.4537887573242, 42.3762092590332, 360.938934326172, 3.0, 0.122638054192066, 1.94283998012543, 0.07382932305336, 778.572570800781, 16.6728687286377
-InChI%3D1S%2FC4H8N2O2%2Fc7-4-1-2-6%283-4%295-8%2Fh4%2C7H%2C1-3H2, 1.0, 0.846145689487457, 4.42038631439209, 95.7022247314453, 214.738586425781, 0.308278471231461, 0.691721498966217, 119.03636932373, -66.2382278442383, 148.626693725586, -0.213368311524391, 0.478760153055191, 214.86491394043, -21.034481048584, 11.1956157684326, 47.7626647949219, -0.0677568167448044, 0.0360636077821255, 32.230094909668, 29.7098751068115, 262.678161621094, -20.5630512237549, -6.52996110916138, 0.564998209476471, 16.1783447265625, 10.3636560440063, 66.6636199951172, 2.0, 0.153854325413704, 18.761531829834, 0.303674966096878, 46.1397895812988, 3.47557592391968
-InChI%3D1S%2FC3H9AsO%2Fc1-4%282%2C3%295%2Fh1-3H3, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 16.3931369781494, 20.996862411499, , 1.0, , , , , 
-InChI%3D1S%2FC15H11NO2%2Fc1-9%2817%2916-10-6-7-12-11-4-2-3-5-13%2811%2915%2818%2914%2812%298-10%2Fh2-8H%2C1H3%2C%28H%2C16%2C17%29, 1.0, 0.769981622695923, 6.46723699569702, 199.268569946289, 321.819213867188, 0.382408827543259, 0.617591202259064, 122.550659179688, -242.251235961914, 391.236358642578, -0.464895248413086, 0.750806987285614, 633.487609863281, -29.6720237731934, 23.5797367095947, 119.859771728516, -0.0569424666464329, 0.0452509894967079, 53.2517623901367, 103.836410522461, 401.22802734375, -126.234161376953, -15.4617290496826, 0.286408632993698, 36.4387245178223, 14.303277015686, 167.696060180664, 3.0, 0.230018377304077, 6.78628540039062, 0.180236428976059, 203.86848449707, 12.2871131896973
-InChI%3D1S%2FC10H14N2O2%2Fc1-8%2812%282%2911-14%2910%2813%299-6-4-3-5-7-9%2Fh3-8%2C10%2C13H%2C1-2H3, 1.0, 0.909997284412384, 1.7981379032135, 148.864898681641, 269.355316162109, 0.355948597192764, 0.644051432609558, 120.490417480469, -154.332656860352, 279.248657226562, -0.369022458791733, 0.667707204818726, 433.581298828125, -21.430419921875, 14.1642141342163, 37.6409530639648, -0.0512419529259205, 0.0338678359985352, 35.5946350097656, 62.2583045959473, 380.579254150391, -64.545036315918, -8.9626350402832, 0.372466444969177, 30.7391014099121, 16.9228973388672, 112.649833679199, 2.0, 0.0900027081370354, 10.724102973938, 0.203206539154053, 116.787422180176, 5.92376041412354
-InChI%3D1S%2FC9H4F3N3O4S%2Fc10-9%2811%2C12%297%2816%2914-8-13-4%283-20-8%295-1-2-6%2819-5%2915%2817%2918%2Fh1-3H%2C%28H%2C13%2C14%2C16%29, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 29.5861721038818, 16.0738277435303, , 3.0, , , , , 
-InChI%3D1S%2FC23H31NO2.ClH%2Fc1-6-22%2826-19%283%2925%2923%2817-18%282%2924%284%295%2C20-13-9-7-10-14-20%2921-15-11-8-12-16-21%3B%2Fh7-16%2C18%2C22H%2C6%2C17H2%2C1-5H3%3B1H%2Ft18-%2C22-%3B%2Fm0.%2Fs1, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 66.7013778686523, 40.2566223144531, , 3.0, , , , , 
-InChI%3D1S%2FC3H6FN3O2%2Fc4-1-2-7%286-9%293%285%298%2Fh1-2H2%2C%28H2%2C5%2C8%29, 2.0, 0.63026362657547, 4.02925443649292, 149.605880737305, 196.584930419922, 0.432148605585098, 0.567851364612579, 46.9790496826172, -160.026626586914, 210.277984619141, -0.462249785661697, 0.607404887676239, 370.304595947266, -35.7139625549316, 18.8502902984619, 127.999336242676, -0.10316264629364, 0.0544505789875984, 54.5642509460449, 51.7921829223633, 218.191482543945, -55.3997497558594, -12.363844871521, 0.312691181898117, 14.7417583465576, 9.38024234771729, 68.0559005737305, 3.0, 0.36973637342453, 10.9176397323608, 0.218265235424042, 72.7963027954102, 6.52579736709595
-InChI%3D1S%2FC2H3F%2Fc1-2-3%2Fh2H%2C1H2, 0.0, 0.814749360084534, 9.68548679351807, 127.572158813477, 183.521835327148, 0.410075932741165, 0.589924037456512, 55.9496688842773, -36.4824485778809, 52.4826583862305, -0.117271468043327, 0.16870354115963, 88.9651031494141, -17.3505897521973, 12.8206958770752, 57.6303558349609, -0.0557728186249733, 0.0412116497755051, 30.1712856292725, 39.6869316101074, 253.463623046875, -11.3494710922241, -5.39766407012939, 0.752966582775116, 6.07737922668457, 4.48262119293213, 57.0925369262695, 0.0, 0.185250625014305, 43.3937301635742, 0.329684108495712, 16.3270397186279, 3.98844146728516
-InChI%3D1S%2FC17H19N3O3S%2Fc1-10-8-18-15%2811%282%2916%2810%2923-4%299-24%2821%2917-19-13-6-5-12%2822-3%297-14%2813%2920-17%2Fh5-8H%2C9H2%2C1-4H3%2C%28H%2C19%2C20%29, 2.0, 0.854307293891907, 0.0, 150.748016357422, 487.422973632812, 0.236218854784966, 0.763781130313873, 336.674957275391, -284.621337890625, 920.283935546875, -0.445995420217514, 1.44206476211548, 1204.9052734375, -28.5882472991943, 27.9037551879883, 92.9768524169922, -0.0447971597313881, 0.0437245741486549, 56.4920043945312, 96.2030181884766, 545.194152832031, -181.637084960938, -18.2441902160645, 0.184827923774719, 52.5286521911621, 33.8073463439941, 311.059204101562, 4.0, 0.145692691206932, 3.68458271026611, 0.0763495489954948, 587.298522949219, 17.8073673248291
-InChI%3D1S%2FC2H2F4%2Fc3-1-2%284%2C5%296%2Fh1H2, 0.0, 0.822736501693726, 0.0, 174.129547119141, 74.5945358276367, 0.700091242790222, 0.299908757209778, -99.5350112915039, -129.632522583008, 55.5326614379883, -0.521190047264099, 0.223270148038864, 185.165176391602, -32.4485015869141, 8.12373638153076, 44.0896987915039, -0.130459830164909, 0.0326616391539574, 40.5722351074219, 43.3102111816406, 204.634384155273, -32.2427291870117, -8.07072353363037, 0.322975814342499, 7.08158588409424, 6.99841403961182, 18.5534572601318, 0.0, 0.177263498306274, 14.2399063110352, 0.560049712657928, 13.812310218811, 2.02056884765625
-InChI%3D1S%2FC9H8O4%2Fc10-7-3-1-6%285-8%287%2911%292-4-9%2812%2913%2Fh1-5%2C10-11H%2C%28H%2C12%2C13%29%2Fb4-2%2B, 3.0, 0.437653481960297, 2.98848366737366, 167.414001464844, 226.967208862305, 0.424497902393341, 0.575502097606659, 59.5532073974609, -247.588073730469, 335.6611328125, -0.627788722515106, 0.851108372211456, 583.249206542969, -43.3871040344238, 29.9634819030762, 221.778900146484, -0.110013112425804, 0.0759759396314621, 73.3505859375, 66.0249328613281, 172.602310180664, -97.6440811157227, -17.1110591888428, 0.241906017065048, 24.3823432922363, 9.70365619659424, 89.511604309082, 2.0, 0.562346518039703, 6.76520299911499, 0.191587507724762, 132.378448486328, 11.8170347213745
-InChI%3D1S%2FC9H18N3OP%2Fc1-7-4-10%287%2914%2813%2C11-5-8%2811%292%2912-6-9%2812%293%2Fh7-9H%2C4-6H2%2C1-3H3, 0.0, 0.90567022562027, 0.0566159822046757, 64.4673309326172, 382.252838134766, 0.144312560558319, 0.855687439441681, 317.785522460938, -69.1953506469727, 410.287170410156, -0.154896408319473, 0.918443322181702, 479.482513427734, -11.2303562164307, 12.5512275695801, 42.1389999389648, -0.0251395776867867, 0.0280963964760303, 23.7815837860107, 28.7988567352295, 404.581176757812, -30.9109573364258, -5.01682662963867, 0.24514028429985, 35.5742721557617, 34.0557250976562, 170.760055541992, 4.0, 0.0943297445774078, 5.01258563995361, 0.25693279504776, 183.283554077148, 5.60688638687134
-InChI%3D1S%2FC12Br10O%2Fc13-1-3%2815%297%2819%2911%288%2820%294%281%2916%2923-12-9%2821%295%2817%292%2814%296%2818%2910%2812%2922, 0.0, 0.985482394695282, 1.23161435127258, 617.528869628906, 74.942138671875, 0.891775786876678, 0.108224220573902, -542.586730957031, -780.35595703125, 94.702522277832, -1.12691497802734, 0.136760264635086, 875.058471679688, -61.4557723999023, 8.07860946655273, 10.0530395507812, -0.0887485146522522, 0.0116663500666618, 69.5343856811523, 427.620849609375, 682.41796875, -540.373840332031, -42.5563430786133, 0.239429712295532, 52.4220008850098, 14.8159999847412, 51.8952560424805, 0.0, 0.0145176323130727, 2.40699625015259, 0.100675337016582, 65.5787506103516, 5.59420251846313
-InChI%3D1S%2FC13H14Cl2O3%2Fc1-12%282%2C11%2816%2917%2918-9-5-3-8%284-6-9%2910-7-13%2810%2C14%2915%2Fh3-6%2C10H%2C7H2%2C1-2H3%2C%28H%2C16%2C17%29, 1.0, 0.838307917118073, 0.112147636711597, 284.397003173828, 325.506774902344, 0.466298162937164, 0.533701837062836, 41.1097602844238, -418.017059326172, 478.441680908203, -0.685382008552551, 0.78445440530777, 896.458740234375, -43.3070755004883, 20.0627689361572, 98.6166000366211, -0.0710064098238945, 0.0328949727118015, 63.3698463439941, 173.454803466797, 511.287170410156, -254.950180053711, -26.4131488800049, 0.224032878875732, 38.9811019897461, 19.0188980102539, 198.527801513672, 2.0, 0.161692067980766, 3.4835901260376, 0.198114201426506, 291.803375244141, 12.2363586425781
-InChI%3D1S%2FC5H11NO2%2Fc1-3-5%284-2%296%287%298%2Fh5H%2C3-4H2%2C1-2H3, 0.0, 1.0, 0.0, 112.350700378418, 209.486633300781, 0.349091559648514, 0.650908410549164, 97.1359329223633, -50.2952041625977, 93.7793273925781, -0.156275227665901, 0.291387349367142, 144.07453918457, -12.924843788147, 5.69871950149536, 0.0, -0.0401595532894135, 0.0177068319171667, 18.6235637664795, 36.1586494445801, 321.837341308594, -16.1868743896484, -4.15969705581665, 0.295080929994583, 18.8387222290039, 13.2812767028809, 67.4206161499023, 0.0, 0.0, 14.0675754547119, 0.245166033506393, 30.1816883087158, 1.8340607881546
-InChI%3D1S%2FC7H9N.ClH%2Fc1-6-3-2-4-7%288%295-6%3B%2Fh2-5H%2C8H2%2C1H3%3B1H, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 22.2679290771484, 10.6920700073242, , 1.0, , , , , 
-InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2, 0.0, 1.0, 0.0, 187.657806396484, 96.9959182739258, 0.659249424934387, 0.340750575065613, -90.6618804931641, -95.4623107910156, 49.3422317504883, -0.335362941026688, 0.173341244459152, 144.804534912109, -31.8270454406738, 5.21850538253784, 0.0, -0.111809693276882, 0.0183328203856945, 37.0455513000488, 53.4174919128418, 284.653717041016, -27.1737022399902, -9.0596866607666, 0.336679548025131, 15.1539649963379, 6.72603511810303, 27.6102504730225, 0.0, 0.0, 21.8762626647949, 0.192337721586227, 14.0454502105713, 1.48546695709229
-InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh2-4H%2C1H3%2Fb3-2-, 0.0, 0.84867662191391, 21.2559490203857, 115.640693664551, 236.855438232422, 0.328062295913696, 0.671937704086304, 121.214744567871, -52.6713066101074, 107.881446838379, -0.14942379295826, 0.306050032377243, 160.552749633789, -19.2500858306885, 17.7051448822021, 53.3409118652344, -0.0546107739210129, 0.050227914005518, 36.9552307128906, 40.7628974914551, 299.155212402344, -18.5664310455322, -6.78558111190796, 0.654359757900238, 11.8427581787109, 7.51724195480347, 83.4906234741211, 1.0, 0.151323407888412, 34.9041481018066, 0.312191158533096, 38.0277938842773, 6.24099540710449
-InChI%3D1S%2FC6H6ClN.ClH%2Fc7-4-6-2-1-3-8-5-6%3B%2Fh1-3%2C5H%2C4H2%3B1H, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 20.6875514984131, 9.81244945526123, , 1.0, , , , , 
-InChI%3D1S%2FC4H8N2S4.Zn%2Fc7-3%288%295-1-2-6-4%289%2910%3B%2Fh1-2H2%2C%28H2%2C5%2C7%2C8%29%28H2%2C6%2C9%2C10%29%3B%2Fq%3B%2B2%2Fp-2, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 31.9407577514648, 16.0392417907715, , 2.0, , , , , 
-InChI%3D1S%2FC18H16N2O7S2.2Na%2Fc1-10-7-11%282%2916%2828%2822%2C23%2924%298-14%2810%2919-20-15-9-17%2829%2825%2C26%2927%2912-5-3-4-6-13%2812%2918%2815%2921%3B%3B%2Fh3-9%2C21H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb20-19%2B%3B%3B, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 101.8291015625, 31.49289894104, , 8.0, , , , , 
-InChI%3D1S%2FC15H10O7%2Fc16-7-4-10%2819%2912-11%285-7%2922-15%2814%2821%2913%2812%2920%296-1-2-8%2817%299%2818%293-6%2Fh1-5%2C16-19%2C21H, 5.0, , , , , , , , , , , , , , , , , , , , , , , , 40.0155143737793, 15.9924840927124, , 2.0, , , , , 
-InChI%3D1S%2FC8H8N2O2%2Fc1-10%289-12%298%2811%297-5-3-2-4-6-7%2Fh2-6H%2C1H3, 0.0, 0.883485674858093, 0.78846538066864, 148.382293701172, 216.060638427734, 0.407148212194443, 0.59285181760788, 67.6783599853516, -116.431663513184, 169.537078857422, -0.319478452205658, 0.465195149183273, 285.96875, -20.9238739013672, 11.6769895553589, 42.4628295898438, -0.0574133060872555, 0.0320406518876553, 32.6008644104004, 54.0768775939941, 321.980102539062, -42.4326972961426, -7.6255578994751, 0.347589910030365, 23.2183437347412, 11.3216562271118, 78.7417755126953, 2.0, 0.116514347493649, 13.9179468154907, 0.325604110956192, 61.7865943908691, 4.25559616088867
-InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3, 0.0, 0.820716023445129, 1.42069971561432, 81.7860717773438, 342.821319580078, 0.192615747451782, 0.807384252548218, 261.035247802734, -104.278785705566, 437.103637695312, -0.245588704943657, 1.02943015098572, 541.382446289062, -20.5302848815918, 14.3970556259155, 76.1253128051758, -0.0483512170612812, 0.0339067466557026, 34.9273414611816, 34.7269706726074, 348.482086181641, -44.2775421142578, -8.71731090545654, 0.273766398429871, 26.6231021881104, 22.0108985900879, 145.564468383789, 4.0, 0.179284006357193, 2.38574600219727, 0.204412758350372, 185.597442626953, 6.11309623718262
-InChI%3D1S%2FC14H14ClN3O2S%2Fc1-8-4-3-5-10%289%288%292%2916-12-6-11%2815%2917-14%2818-12%2921-7-13%2819%2920%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C16%2C17%2C18%29, 3.0, 0.791504859924316, 1.20681536197662, 239.288818359375, 368.518188476562, 0.39369210600853, 0.606307923793793, 129.229370117188, -461.203704833984, 710.279541015625, -0.758799612522125, 1.1685938835144, 1171.48327636719, -38.1253318786621, 26.3172378540039, 126.724792480469, -0.0627260506153107, 0.043298676609993, 64.4425659179688, 145.44140625, 481.082183837891, -280.322845458984, -23.1728420257568, 0.171673163771629, 46.6262741088867, 25.9757251739502, 223.987930297852, 5.0, 0.208495125174522, 2.81120753288269, 0.139542371034622, 431.712860107422, 15.9958009719849
-InChI%3D1S%2FC9H14O%2Fc1-7-4-8%2810%296-9%282%2C3%295-7%2Fh4H%2C5-6H2%2C1-3H3, 0.0, 0.87674218416214, 0.444226950407028, 95.2073822021484, 290.4169921875, 0.246891498565674, 0.753108501434326, 195.209625244141, -56.7380867004395, 173.071716308594, -0.147133037447929, 0.448809087276459, 229.809814453125, -16.0465126037598, 9.09809398651123, 47.5312232971191, -0.0416117645800114, 0.0235931519418955, 25.1446056365967, 36.7142868041992, 338.093170166016, -21.8795909881592, -6.18792629241943, 0.49388512969017, 25.9771022796631, 16.2628974914551, 111.991882324219, 1.0, 0.123257830739021, 23.4749660491943, 0.261582762002945, 66.7406768798828, 3.50844717025757
-InChI%3D1S%2FC7H6O3%2Fc8-5-1-2-6-7%283-5%2910-4-9-6%2Fh1-3%2C8H%2C4H2, 1.0, 0.644112706184387, 8.03401374816895, 112.783821105957, 237.014770507812, 0.322425037622452, 0.677574992179871, 124.230949401855, -118.091110229492, 248.168014526367, -0.33759742975235, 0.709459722042084, 366.259124755859, -29.4189701080322, 24.2827644348145, 124.488876342773, -0.0841025933623314, 0.0694192722439766, 53.7017364501953, 39.4516220092773, 225.309722900391, -41.30810546875, -10.290714263916, 0.344112575054169, 18.7267570495605, 10.3912420272827, 82.9074325561523, 0.0, 0.355887293815613, 12.1323194503784, 0.207999840378761, 86.8088226318359, 8.4940767288208
-InChI%3D1S%2FC7H15N3O%2Fc1-6-4-10%288-11%295-7%282%299%286%293%2Fh6-7H%2C4-5H2%2C1-3H3, 0.0, 0.988414883613586, 1.22833156585693, 72.7030258178711, 278.129058837891, 0.207230255007744, 0.792769730091095, 205.426040649414, -50.644775390625, 193.744125366211, -0.144356176257133, 0.552241802215576, 244.388900756836, -8.66152286529541, 9.82617092132568, 4.06443548202515, -0.0246885139495134, 0.0280081890523434, 18.4876937866211, 25.5065536499023, 346.767639160156, -17.7678127288818, -3.03873991966248, 0.427636295557022, 26.4238948822021, 19.9961051940918, 97.5765991210938, 2.0, 0.0115851303562522, 1.73810005187988, 0.0682967007160187, 67.9716567993164, 3.44733595848083
-InChI%3D1S%2FC7H7NO3%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3, 0.0, 0.968741595745087, 0.60778534412384, 154.878601074219, 188.597885131836, 0.450914710760117, 0.549085319042206, 33.7192878723145, -120.277519226074, 146.463653564453, -0.350176870822906, 0.426415383815765, 266.741180419922, -17.914249420166, 11.4185352325439, 10.7365322113037, -0.052155677229166, 0.0332440100610256, 29.33278465271, 53.1971588134766, 332.739959716797, -41.3125, -6.15312337875366, 0.445908278226852, 20.4935512542725, 10.8244485855103, 64.778938293457, 0.0, 0.0312584191560745, 4.78750848770142, 0.201315388083458, 50.3068237304688, 3.92199850082397
-InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299, 0.0, 1.0, 0.843872129917145, 343.681854248047, 34.3104782104492, 0.909229695796967, 0.0907703042030334, -309.371368408203, -258.998809814453, 25.8563938140869, -0.685195922851562, 0.0684045404195786, 284.855194091797, -43.1664695739746, 4.30939912796021, 0.0, -0.114199325442314, 0.0114007573574781, 47.4758682250977, 129.909103393555, 377.992340087891, -97.8995666503906, -16.3165950775146, 0.16666667163372, 23.6399993896484, 2.51999998092651, 12.9690980911255, 0.0, 0.0, 9.48900604248047, 0.16666667163372, 9.77351856231689, 1.62891972064972
-InChI%3D1S%2FC12H11NO2%2Fc1-13-12%2814%2915-11-8-4-6-9-5-2-3-7-10%289%2911%2Fh2-8H%2C1H3%2C%28H%2C13%2C14%29, 1.0, 0.817191958427429, 0.565884649753571, 165.479049682617, 283.651672363281, 0.368442952632904, 0.631557047367096, 118.172630310059, -203.20979309082, 348.326843261719, -0.452451288700104, 0.775557816028595, 551.53662109375, -25.1149406433105, 18.8188247680664, 82.1047210693359, -0.0559189952909946, 0.0419005490839481, 43.933765411377, 74.3217315673828, 367.026031494141, -91.2677612304688, -11.2798919677734, 0.264996498823166, 31.1587238311768, 15.2612771987915, 127.396690368652, 2.0, 0.182808071374893, 11.3277463912964, 0.230691328644753, 156.444290161133, 8.45211315155029
-InChI%3D1S%2FC5H11Cl2NO%2Fc1-8%289%2C4-2-6%295-3-7%2Fh2-5H2%2C1H3, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 22.3967227935791, 15.1432771682739, , 0.0, , , , , 
-InChI%3D1S%2FC14H19Cl2NO2%2Fc15-8-10-17%2811-9-16%2913-6-4-12%285-7-13%292-1-3-14%2818%2919%2Fh4-7H%2C1-3%2C8-11H2%2C%28H%2C18%2C19%29, 1.0, 0.752540051937103, 4.99795818328857, 261.851501464844, 347.862670898438, 0.429466009140015, 0.570533990859985, 86.0111541748047, -400.496032714844, 532.048156738281, -0.656858623027802, 0.872618973255157, 932.544189453125, -51.6723899841309, 27.0184555053711, 150.879821777344, -0.0847485437989235, 0.0443133115768433, 78.6908493041992, 159.654571533203, 458.834350585938, -244.188110351562, -31.5053882598877, 0.216754674911499, 44.3730659484863, 24.5489330291748, 212.096801757812, 3.0, 0.247459918260574, 10.3334798812866, 0.169248566031456, 324.397308349609, 16.4735355377197
-InChI%3D1S%2FC4H6N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-2H%2C3-4H2, 0.0, 0.938302099704742, 0.566398739814758, 121.250503540039, 209.706344604492, 0.36636346578598, 0.63363653421402, 88.4558410644531, -68.0366363525391, 117.671379089355, -0.205575540661812, 0.35554900765419, 185.708023071289, -14.9850206375122, 12.1554174423218, 20.4193458557129, -0.0452778674662113, 0.0367281027138233, 27.140438079834, 40.1286849975586, 310.537506103516, -22.5171909332275, -4.95939540863037, 0.481271296739578, 14.8447580337524, 8.77324199676514, 69.4037551879883, 0.0, 0.0616979077458382, 9.82724475860596, 0.159382924437523, 38.944149017334, 4.02291870117188
-InChI%3D1S%2FC15H10F3NO%2Fc16-15%2817%2C18%2914%2820%2919-11-5-6-13-10%288-11%297-9-3-1-2-4-12%289%2913%2Fh1-6%2C8H%2C7H2%2C%28H%2C19%2C20%29, 1.0, 0.871583759784698, 0.0, 354.634460449219, 259.374328613281, 0.577572286128998, 0.422427743673325, -95.2601089477539, -512.958679199219, 375.170349121094, -0.835425674915314, 0.611017882823944, 888.129028320312, -38.8213233947754, 22.7674999237061, 78.8486938476562, -0.063226006925106, 0.0370800867676735, 61.5888214111328, 217.748672485352, 535.160095214844, -314.961151123047, -23.836633682251, 0.186718568205833, 36.6409301757812, 16.1590690612793, 159.258117675781, 2.0, 0.12841622531414, 8.2421760559082, 0.322192192077637, 230.357879638672, 13.9794454574585
-InChI%3D1S%2FC24H31FO6%2Fc1-20%282%2930-19-10-16-15-6-5-13-9-14%2827%297-8-21%2813%2C3%2923%2815%2C25%2917%2828%2911-22%2816%2C4%2924%2819%2C31-20%2918%2829%2912-26%2Fh7-9%2C15-17%2C19%2C26%2C28H%2C5-6%2C10-12H2%2C1-4H3%2Ft15-%2C16-%2C17-%2C19%2B%2C21-%2C22-%2C23%3F%2C24%3F%2Fm0%2Fs1, 2.0, 0.707373559474945, 1.34001696109772, 230.317642211914, 430.647491455078, 0.348456561565399, 0.651543438434601, 200.329864501953, -618.722717285156, 1156.88659667969, -0.936089754104614, 1.75029897689819, 1775.60925292969, -52.0238151550293, 23.7132186889648, 193.415863037109, -0.0787088647484779, 0.0358766578137875, 75.7370376586914, 152.231918334961, 467.549255371094, -408.954132080078, -34.385929107666, 0.144969746470451, 68.2795867919922, 40.8404159545898, 284.642974853516, 6.0, 0.292626440525055, 1.77941524982452, 0.078361988067627, 764.661682128906, 15.6736106872559
-InChI%3D1S%2FC21H27N5O2S.3ClH%2Fc1-15-4-5-16%2811-23-15%2910-17-12-24-21%2825-20%2817%2927%2922-8-9-29-14-19-7-6-18%2828-19%2913-26%282%293%3B%3B%3B%2Fh4-7%2C11-12H%2C8-10%2C13-14H2%2C1-3H3%2C%28H2%2C22%2C24%2C25%2C27%29%3B3%2A1H, 3.0, , , , , , , , , , , , , , , , , , , , , , , , 76.1749649047852, 48.5650367736816, , 6.0, , , , , 
-InChI%3D1S%2FC14H8O5%2Fc15-8-5-9%2816%2914%2819%2911-10%288%2912%2817%296-3-1-2-4-7%286%2913%2811%2918%2Fh1-5%2C15-16%2C19H, 3.0, 0.542288720607758, 0.785302758216858, 209.501907348633, 254.684722900391, 0.451331198215485, 0.548668801784515, 45.1828193664551, -392.279479980469, 476.881561279297, -0.84509003162384, 1.02734875679016, 869.161071777344, -55.3573951721191, 26.8921031951904, 212.463455200195, -0.119256757199764, 0.0579338185489178, 82.2494964599609, 97.2479858398438, 251.723190307617, -182.090896606445, -25.6961631774902, 0.192016020417213, 33.9843444824219, 10.6616563796997, 118.221244812012, 2.0, 0.45771124958992, 6.48005199432373, 0.116388998925686, 221.362045288086, 12.4829549789429
-InChI%3D1S%2FC17H12O6%2Fc1-20-10-6-11-14%288-4-5-21-17%288%2922-11%2915-13%2810%297-2-3-9%2818%2912%287%2916%2819%2923-15%2Fh4-6%2C8%2C17H%2C2-3H2%2C1H3, 0.0, 0.710989058017731, 0.460637629032135, 192.344039916992, 359.034393310547, 0.348842144012451, 0.651157855987549, 166.690353393555, -367.887542724609, 686.70849609375, -0.667214274406433, 1.24543952941895, 1054.59606933594, -47.4091415405273, 20.237190246582, 159.354400634766, -0.0859829410910606, 0.0367029048502445, 67.6463317871094, 106.054359436035, 392.024017333984, -202.845260620117, -26.1403789520264, 0.182227268815041, 44.0671005249023, 24.8848972320557, 197.963821411133, 3.0, 0.289010941982269, 1.39600932598114, 0.145022705197334, 378.636260986328, 11.1583499908447
-InChI%3D1S%2FC12H14O4%2Fc1-2-9%2813-5-11-7-15-11%294-10%283-1%2914-6-12-8-16-12%2Fh1-4%2C11-12H%2C5-8H2, 0.0, 0.813515782356262, 0.115527451038361, 151.36848449707, 364.196044921875, 0.293597549200058, 0.70640242099762, 212.827560424805, -234.140197753906, 563.3466796875, -0.454143345355988, 1.09267926216125, 797.486877441406, -36.727596282959, 23.8989562988281, 96.144645690918, -0.0712376311421394, 0.0463549308478832, 60.6265525817871, 78.0402145385742, 419.419860839844, -120.714370727539, -18.9354438781738, 0.239195823669434, 33.6631011962891, 22.9688987731934, 187.766555786133, 2.0, 0.186484217643738, 9.08724212646484, 0.0680282711982727, 290.441558837891, 12.3214540481567
-InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H, 0.0, 1.0, 0.956034243106842, 146.287673950195, 136.632385253906, 0.517063617706299, 0.482936352491379, -9.65529251098633, -56.5980834960938, 52.862491607666, -0.200049743056297, 0.186846047639847, 109.460578918457, -13.2607297897339, 8.62516593933105, 0.0, -0.046870943158865, 0.0304862316697836, 21.8858966827393, 41.3877143859863, 282.920043945312, -16.0127334594727, -3.75172638893127, 0.337058454751968, 16.0739650726318, 5.88603496551514, 38.6560401916504, 0.0, 0.0, 24.0582160949707, 0.187653392553329, 14.9558591842651, 2.44023251533508
-InChI%3D1S%2FC12H8O4%2Fc1-14-12-10-8%284-5-15-10%296-7-2-3-9%2813%2916-11%287%2912%2Fh2-6H%2C1H3, 0.0, 0.782859206199646, 1.06940603256226, 115.353080749512, 332.605651855469, 0.257508277893066, 0.742491722106934, 217.252563476562, -152.104782104492, 438.574432373047, -0.339550882577896, 0.979050934314728, 590.67919921875, -27.1626777648926, 17.5882987976074, 97.2701034545898, -0.0606365650892258, 0.0392632149159908, 44.7509765625, 51.6734199523926, 350.688629150391, -68.1366653442383, -12.1677589416504, 0.260506629943848, 32.329517364502, 19.82448387146, 148.993606567383, 1.0, 0.217140778899193, 4.25846767425537, 0.202409699559212, 196.463241577148, 7.87883234024048
-InChI%3D1S%2FC9H6N2O2%2Fc12-11%2813%298-5-1-3-7-4-2-6-10-9%287%298%2Fh1-6H, 0.0, 0.961235642433167, 0.736765205860138, 199.955673217773, 201.20866394043, 0.49843829870224, 0.50156170129776, 1.25299644470215, -148.262405395508, 149.191467285156, -0.369580209255219, 0.371896147727966, 297.453857421875, -20.6791343688965, 12.8488855361938, 15.5508832931519, -0.051547784358263, 0.0320289842784405, 33.528018951416, 80.215087890625, 385.613464355469, -59.4775886535645, -8.29573059082031, 0.341547966003418, 23.6447582244873, 9.1352424621582, 80.7177429199219, 1.0, 0.0387643724679947, 5.31137275695801, 0.205504924058914, 59.8502960205078, 5.1545147895813
-InChI%3D1S%2FC9H15Br6O4P%2Fc10-1-7%2813%294-17-20%2816%2C18-5-8%2814%292-11%2919-6-9%2815%293-12%2Fh7-9H%2C1-6H2, 0.0, 0.937182307243347, 2.10750961303711, 421.439880371094, 258.821838378906, 0.619526088237762, 0.380473911762238, -162.618026733398, -800.2919921875, 491.488983154297, -1.17644727230072, 0.722499847412109, 1291.78100585938, -61.9452171325684, 17.7623977661133, 42.7324600219727, -0.0910608619451523, 0.0261111222207546, 79.7076110839844, 286.689392089844, 637.529235839844, -544.408020019531, -42.1389579772949, 0.148298472166061, 50.9798965454102, 38.324104309082, 176.066589355469, 4.0, 0.0628176778554916, 0.836227655410767, 0.239105775952339, 334.341125488281, 12.0830783843994
-InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2, 0.0, 1.0, 2.06546926498413, 157.400497436523, 203.124649047852, 0.436586737632751, 0.563413262367249, 45.7241477966309, -75.35693359375, 97.2477874755859, -0.209019914269447, 0.269739270210266, 172.604721069336, -10.2283878326416, 12.0426025390625, 0.0, -0.0283708032220602, 0.0334029495716095, 22.2709903717041, 56.7468376159668, 360.525146484375, -27.1680698394775, -3.68759107589722, 0.20497927069664, 19.4143447875977, 8.74565601348877, 73.2315444946289, 0.0, 0.0, 5.12482595443726, 0.130218967795372, 35.0602722167969, 4.34166097640991
-InChI%3D1S%2FC32H40BrN5O5.CH4O3S%2Fc1-16%282%2912-24-29%2840%2937-11-7-10-25%2837%2932%2842%2938%2824%2930%2841%2931%2843-32%2C17%283%294%2935-28%2839%2918-13-20-19-8-6-9-22-26%2819%2921%2827%2833%2934-22%2914-23%2820%2936%285%2915-18%3B1-5%282%2C3%294%2Fh6%2C8-9%2C13%2C16-18%2C23-25%2C34%2C42H%2C7%2C10-12%2C14-15H2%2C1-5H3%2C%28H%2C35%2C39%29%3B1H3%2C%28H%2C2%2C3%2C4%29%2Ft18-%2C23-%2C24%2B%2C25%2B%2C31-%2C32%2B%3B%2Fm1.%2Fs1, 3.0, , , , , , , , , , , , , , , , , , , , , , , , 104.618095397949, 67.1858978271484, , 13.0, , , , , 
-InChI%3D1S%2FC21H16%2Fc1-13-6-7-15-12-20-17-5-3-2-4-14%2817%298-9-18%2820%2919-11-10-16%2813%2921%2815%2919%2Fh2-9%2C12H%2C10-11H2%2C1H3, 0.0, 1.0, 1.15750634670258, 208.50456237793, 352.581207275391, 0.371609061956406, 0.628390908241272, 144.076644897461, -160.632751464844, 271.629974365234, -0.286289125680923, 0.4841148853302, 432.262725830078, -8.85324954986572, 16.6223220825195, 0.0, -0.0157787799835205, 0.0296252779662609, 25.4755706787109, 116.98893737793, 561.085754394531, -90.1287536621094, -4.96743202209473, 0.0793948397040367, 47.6286888122559, 17.4913120269775, 197.82829284668, 0.0, 0.0, 1.05866885185242, 0.0817557126283646, 152.40771484375, 9.32654762268066
-InChI%3D1S%2FC14H14N2.ClH%2Fc1-2-16-13-6-4-3-5-11%2813%2912-9-10%2815%297-8-14%2812%2916%3B%2Fh3-9H%2C2%2C15H2%2C1H3%3B1H, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 39.0218963623047, 18.1381053924561, , 2.0, , , , , 
-InChI%3D1S%2FC10H10O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh2%2C4-6H%2C1%2C3%2C7H2, 0.0, 0.867786228656769, 0.64280092716217, 126.184524536133, 260.674194335938, 0.326177269220352, 0.67382276058197, 134.489685058594, -123.878479003906, 255.910339355469, -0.320216327905655, 0.661508500576019, 379.788818359375, -21.002513885498, 17.1276626586914, 51.1480407714844, -0.0542898811399937, 0.0442736893892288, 38.1301765441895, 48.8155860900879, 335.710693359375, -47.923469543457, -8.1250057220459, 0.321401596069336, 25.8719291687012, 14.7640695571899, 100.844093322754, 0.0, 0.132213741540909, 8.38428783416748, 0.162219822406769, 99.0011444091797, 6.62598609924316
-InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2, 1.0, 0.93557220697403, 3.69475102424622, 222.270645141602, 303.684814453125, 0.42260354757309, 0.57739645242691, 81.4141616821289, -225.272552490234, 307.786254882812, -0.428311109542847, 0.58519458770752, 533.058837890625, -23.9200401306152, 23.0572242736816, 33.8861503601074, -0.0454792156815529, 0.0438387431204319, 46.9772644042969, 116.904457092285, 492.069305419922, -118.483322143555, -12.5808753967285, 0.305756390094757, 31.869930267334, 12.6080703735352, 159.724670410156, 1.0, 0.0644278004765511, 4.3363823890686, 0.122446238994598, 161.881866455078, 12.1270732879639
-InChI%3D1S%2FC8H18N2O2%2Fc1-2-3-6-10%289-12%297-4-5-8-11%2Fh11H%2C2-8H2%2C1H3, 1.0, 0.878136932849884, 6.35391664505005, 72.1963882446289, 341.960906982422, 0.174321159720421, 0.825678825378418, 269.764526367188, -65.8428955078125, 311.867370605469, -0.158980399370193, 0.753016710281372, 377.710266113281, -14.5381135940552, 16.0285453796387, 50.4704895019531, -0.0351028777658939, 0.0387015864253044, 30.5666580200195, 29.9006595611572, 363.686828613281, -27.2693157196045, -6.0210657119751, 0.43388843536377, 29.8862743377686, 21.295726776123, 141.625610351562, 2.0, 0.121863089501858, 9.91003322601318, 0.229960754513741, 129.162155151367, 6.63833904266357
-InChI%3D1S%2FC12H10O.Na%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%3B%2Fh1-9%2C13H%3B%2Fq%3B%2B1%2Fp-1, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 51.523136138916, 10.7968626022339, , 0.0, , , , , 
-InChI%3D1S%2FC2Cl2%2Fc3-1-2-4, 0.0, 1.0, 12.956844329834, 182.396682739258, 113.215148925781, 0.617014169692993, 0.382985860109329, -69.1815338134766, -24.0273723602295, 14.9139909744263, -0.0812801495194435, 0.0504512675106525, 38.9413642883301, -12.0136861801147, 7.45699548721313, 0.0, -0.0406400747597218, 0.0252256337553263, 19.470682144165, 53.9186172485352, 295.61181640625, -7.10277557373047, -3.55138778686523, 0.5, 7.88000011444092, 0.839999973773956, 33.4677352905273, 0.0, 0.0, 42.8932113647461, 0.5, 4.40875244140625, 2.20437622070312
-InChI%3D1S%2FC5H7N3OS%2Fc1-4-2-10-5%287-4%298-6-3-9%2Fh2-3H%2C1H3%2C%28H%2C6%2C9%29%28H%2C7%2C8%29, 3.0, 0.807070434093475, 4.06240129470825, 128.695922851562, 256.160217285156, 0.334400057792664, 0.665599942207336, 127.464309692383, -151.55891418457, 301.667449951172, -0.393806666135788, 0.783844649791718, 453.226348876953, -26.1099758148193, 19.4913787841797, 74.2501220703125, -0.0678434744477272, 0.0506458841264248, 45.6013565063477, 49.5294151306152, 310.606018066406, -58.3283805847168, -10.0485849380493, 0.296838998794556, 23.1367225646973, 15.6252765655518, 98.5848388671875, 4.0, 0.192929536104202, 11.7843704223633, 0.185866251587868, 116.098571777344, 7.50137710571289
-InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H, 1.0, 0.860708355903625, 8.82255458831787, 155.88444519043, 262.743377685547, 0.372370004653931, 0.627629995346069, 106.858924865723, -135.963775634766, 229.167068481445, -0.324784398078918, 0.547424376010895, 365.130859375, -15.7092046737671, 21.9755516052246, 58.3113555908203, -0.0375254675745964, 0.0524942465126514, 37.684757232666, 65.257568359375, 360.316467285156, -56.9182205200195, -6.57630968093872, 0.412481009960175, 28.5899295806885, 10.9320697784424, 109.991683959961, 0.0, 0.139291644096375, 9.47982120513916, 0.249726191163063, 95.9357147216797, 9.19957733154297
-InChI%3D1S%2FC7H5NO3S.Na%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%3B%2Fh1-4H%2C%28H%2C8%2C9%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 44.9931716918945, 13.1268281936646, , 4.0, , , , , 
-InChI%3D1S%2FC9H12N2O%2Fc1-11%2810-12%298-7-9-5-3-2-4-6-9%2Fh2-6H%2C7-8H2%2C1H3, 0.0, 1.0, 1.69020962715149, 114.643096923828, 266.33642578125, 0.30091667175293, 0.69908332824707, 151.693344116211, -75.4392242431641, 175.258819580078, -0.198013842105865, 0.460021615028381, 250.698043823242, -10.6111879348755, 12.8539485931396, 0.0, -0.0278523825109005, 0.0337392091751099, 23.4651355743408, 43.6766738891602, 380.979522705078, -28.7408008575439, -4.04264545440674, 0.251741081476212, 26.8435153961182, 14.7364835739136, 101.468734741211, 1.0, 0.0, 1.72755217552185, 0.0946763977408409, 66.7700271606445, 4.89709138870239
-InChI%3D1S%2FC12H24N2O%2Fc15-13-14-11-9-7-5-3-1-2-4-6-8-10-12-14%2Fh1-12H2, 0.0, 1.0, 0.173209428787231, 87.0670471191406, 422.851593017578, 0.170746937394142, 0.829253077507019, 335.784545898438, -68.9933929443359, 335.07470703125, -0.135302737355232, 0.657114028930664, 404.068084716797, -9.91717910766602, 12.6509771347046, 0.0, -0.0194485522806644, 0.0248097945004702, 22.5681571960449, 44.3971099853516, 509.918640136719, -35.1810150146484, -5.0569543838501, 0.205598652362823, 40.1250305175781, 27.8549671173096, 215.619918823242, 1.0, 0.0, 3.14879775047302, 0.0567370988428593, 170.86083984375, 6.45096921920776
-InChI%3D1S%2FC12H11N.ClH%2Fc13-12-8-6-11%287-9-12%2910-4-2-1-3-5-10%3B%2Fh1-9H%2C13H2%3B1H, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 32.4015159606934, 12.8784837722778, , 1.0, , , , , 
-InChI%3D1S%2FC14H16N2O2.2ClH%2Fc1-17-13-7-9%283-5-11%2813%2915%2910-4-6-12%2816%2914%288-10%2918-2%3B%3B%2Fh3-8H%2C15-16H2%2C1-2H3%3B2%2A1H, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 44.8062744140625, 23.0297260284424, , 2.0, , , , , 
-InChI%3D1S%2FC19H29N5O2%2Fc1-23-19%2821-18%2815-25%2922-23%2920-9-6-12-26-17-8-5-7-16%2813-17%2914-24-10-3-2-4-11-24%2Fh5%2C7-8%2C13%2C25H%2C2-4%2C6%2C9-12%2C14-15H2%2C1H3%2C%28H%2C20%2C21%2C22%29, 3.0, 0.860336661338806, 0.589451968669891, 160.784103393555, 550.925170898438, 0.225912615656853, 0.774087369441986, 390.141052246094, -371.043182373047, 1271.37585449219, -0.52134096622467, 1.78636968135834, 1642.41906738281, -31.0573787689209, 29.6574535369873, 99.3996734619141, -0.0436377339065075, 0.0416707433760166, 60.7148323059082, 114.431533813477, 612.3095703125, -264.074859619141, -22.1038246154785, 0.17017275094986, 61.2145843505859, 41.0854187011719, 392.098541259766, 6.0, 0.139663308858871, 3.68320822715759, 0.0909401103854179, 904.849975585938, 21.1074848175049
-InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3, 1.0, 0.951884388923645, 4.09304094314575, 78.4027938842773, 287.643859863281, 0.214187979698181, 0.785812020301819, 209.241073608398, -50.2770957946777, 184.456405639648, -0.137351602315903, 0.503915011882782, 234.733505249023, -7.93555593490601, 13.8488893508911, 17.6125545501709, -0.0216790828853846, 0.0378336720168591, 21.78444480896, 28.6990814208984, 348.434112548828, -18.4037628173828, -2.90478372573853, 0.471282511949539, 25.6083087921143, 13.5516910552979, 105.291076660156, 1.0, 0.0481155961751938, 8.30048847198486, 0.19353649020195, 67.5196533203125, 5.06933975219727
-InChI%3D1S%2FC7H14N4O4%2Fc1-11%2810-15%297%2814%299-4-2-3-5%288%296%2812%2913%2Fh5H%2C2-4%2C8H2%2C1H3%2C%28H%2C9%2C14%29%28H%2C12%2C13%29%2Ft5-%2Fm0%2Fs1, 3.0, 0.637525677680969, 2.44371700286865, 143.227966308594, 294.829223632812, 0.326961815357208, 0.673038184642792, 151.60124206543, -255.249771118164, 525.421752929688, -0.582685947418213, 1.19943642616272, 780.671508789062, -36.1068229675293, 26.7413902282715, 158.784484863281, -0.0824249088764191, 0.0610454343259335, 62.8482131958008, 62.7420387268066, 279.272674560547, -111.813995361328, -15.8168525695801, 0.18759723007679, 29.2631015777588, 18.5408973693848, 129.152053833008, 6.0, 0.362474352121353, 4.22596168518066, 0.154790803790092, 230.164764404297, 11.7142581939697
-InChI%3D1S%2FC7H7FN2O%2Fc1-10%289-11%297-4-2-6%288%293-5-7%2Fh2-5H%2C1H3, 0.0, 0.859015583992004, 1.55224478244781, 146.513793945312, 188.467742919922, 0.437378704547882, 0.562621295452118, 41.9539489746094, -87.738899230957, 112.862770080566, -0.261921614408493, 0.336922377347946, 200.601669311523, -17.8370933532715, 9.95237922668457, 47.2271690368652, -0.0532479882240295, 0.0297102313488722, 27.7894725799561, 49.0794143676758, 287.754364013672, -29.3909130096436, -5.97509670257568, 0.344434589147568, 20.5465507507324, 10.4734487533569, 63.1332130432129, 1.0, 0.140984401106834, 16.2666702270508, 0.205658629536629, 37.8069458007812, 3.33386325836182
-InChI%3D1S%2FC5H10N2O3%2Fc1-3-7%286-9%295%288%2910-4-2%2Fh3-4H2%2C1-2H3, 0.0, 0.889184176921844, 2.77008390426636, 95.7140045166016, 260.291107177734, 0.268855720758438, 0.731144309043884, 164.577087402344, -80.3797073364258, 218.589981079102, -0.225782468914986, 0.614008009433746, 298.969696044922, -15.1022138595581, 11.0460147857666, 39.4510078430176, -0.0424213409423828, 0.0310276877135038, 26.148229598999, 34.0746726989746, 316.554077148438, -28.6155853271484, -5.37646532058716, 0.359111726284027, 20.0739307403564, 15.4240703582764, 92.6649551391602, 3.0, 0.110815852880478, 2.1374626159668, 0.431778222322464, 77.8191452026367, 3.93243765830994
-InChI%3D1S%2FC2H5N3O2%2Fc1-5%284-7%292%283%296%2Fh1H3%2C%28H2%2C3%2C6%29, 2.0, 0.630771934986115, 1.64054918289185, 127.223243713379, 145.564651489258, 0.466381579637527, 0.533618450164795, 18.3414039611816, -105.176849365234, 120.339889526367, -0.385562747716904, 0.441148191690445, 225.516738891602, -29.3089580535889, 11.7269744873047, 100.720947265625, -0.107442297041416, 0.0429893508553505, 41.0359344482422, 34.7049598693848, 172.066940307617, -28.6909713745117, -7.99512910842896, 0.404590845108032, 11.7579650878906, 7.08403491973877, 39.7082748413086, 3.0, 0.369228065013885, 12.7436504364014, 0.281978189945221, 32.8272666931152, 3.19897675514221
-InChI%3D1S%2FC15H15N3O2%2Fc1-10-3-8-15%2820%2914%289-10%2918-17-13-6-4-12%285-7-13%2916-11%282%2919%2Fh3-9%2C20H%2C1-2H3%2C%28H%2C16%2C19%29%2Fb18-17%2B, 2.0, 0.79083514213562, 5.08276224136353, 189.900848388672, 398.097900390625, 0.322961300611496, 0.677038669586182, 208.197067260742, -297.912078857422, 624.526916503906, -0.506654322147369, 1.06212282180786, 922.43896484375, -28.6495265960693, 29.6927146911621, 122.988677978516, -0.048723790794611, 0.0504979230463505, 58.3422431945801, 111.661460876465, 465.010070800781, -175.171936035156, -16.8458862304688, 0.228292301297188, 41.3058967590332, 19.0381050109863, 234.081069946289, 4.0, 0.209164872765541, 5.83835220336914, 0.139671742916107, 367.221038818359, 17.4592800140381
-InChI%3D1S%2FC4H10O3%2Fc5-1-3-7-4-2-6%2Fh5-6H%2C1-4H2, 2.0, 0.577250897884369, 5.73285055160522, 95.5750732421875, 310.516693115234, 0.235353380441666, 0.764646589756012, 214.941619873047, -111.128715515137, 361.049377441406, -0.273654192686081, 0.88908326625824, 472.178100585938, -37.4899253845215, 30.1156768798828, 171.674911499023, -0.0923188552260399, 0.0741597786545753, 67.6056060791016, 38.8122482299805, 234.416839599609, -45.1284561157227, -15.2243499755859, 0.338318467140198, 16.1139297485352, 12.8480701446533, 126.098266601562, 3.0, 0.422749072313309, 12.5639429092407, 0.180464118719101, 146.619186401367, 12.2297277450562
-InChI%3D1S%2FC11H11N5.ClH%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%3B%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29%3B1H%2Fb16-15%2B%3B, 3.0, , , , , , , , , , , , , , , , , , , , , , , , 37.7086868286133, 19.2313117980957, , 5.0, , , , , 
-InChI%3D1S%2FC4H6N2S%2Fc1-6-3-2-5-4%286%297%2Fh2-3H%2C1H3%2C%28H%2C5%2C7%29, 1.0, 0.928041040897369, 2.55900120735168, 94.2676773071289, 219.661437988281, 0.300283312797546, 0.699716687202454, 125.393760681152, -68.6474685668945, 159.961517333984, -0.218671873211861, 0.509546637535095, 228.608978271484, -15.9122877120972, 12.4130983352661, 22.590015411377, -0.0506875216960907, 0.0395410880446434, 28.3253860473633, 29.5933685302734, 291.339111328125, -21.5504379272461, -4.99533033370972, 0.40080863237381, 18.8079299926758, 15.8520698547363, 68.958122253418, 2.0, 0.0719589665532112, 6.43360996246338, 0.170866325497627, 50.2165756225586, 3.89683294296265
-InChI%3D1S%2FH4N2%2Fc1-2%2Fh1-2H2, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 4.86717176437378, 1.7328280210495, , 2.0, , , , , 
-InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296, 0.0, 0.802327454090118, 18.8062934875488, 196.064315795898, 48.3051300048828, 0.802327454090118, 0.197672545909882, -147.759185791016, -130.939376831055, 32.2600440979004, -0.535825490951538, 0.132013410329819, 163.199417114258, -32.7348442077637, 16.1300220489502, 48.3051300048828, -0.133956372737885, 0.0660067051649094, 48.8648643493652, 47.9121246337891, 196.064315795898, -31.9975814819336, -7.9993953704834, 0.25, 5.7480001449585, 4.81199979782104, 11.8042974472046, 0.0, 0.197672545909882, 11.7723903656006, 0.5, 7.88336896896362, 3.94168448448181
-InChI%3D1S%2FC14H15N3%2Fc1-17%282%2914-10-8-13%289-11-14%2916-15-12-6-4-3-5-7-12%2Fh3-11H%2C1-2H3%2Fb16-15%2B, 0.0, 0.988833844661713, 0.243972167372704, 153.587615966797, 334.377349853516, 0.314751327037811, 0.685248672962189, 180.78971862793, -153.262496948242, 333.669525146484, -0.314085066318512, 0.683798134326935, 486.932037353516, -12.6865148544312, 17.7798595428467, 5.44869995117188, -0.0259988233447075, 0.0364367552101612, 30.4663753509521, 74.9453811645508, 482.516265869141, -74.786735534668, -6.19057464599609, 0.281293779611588, 37.94189453125, 19.6981048583984, 163.164428710938, 3.0, 0.0111661702394485, 1.53268539905548, 0.0861977115273476, 162.819030761719, 8.67594909667969
-InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3, 0.0, 0.984526872634888, 1.54063487052917, 83.1193771362305, 246.178146362305, 0.252414226531982, 0.747585773468018, 163.058776855469, -47.2459335327148, 139.930267333984, -0.143474906682968, 0.424935668706894, 187.176193237305, -5.05532503128052, 12.1874580383301, 5.09527063369751, -0.0153518477454782, 0.0370104759931564, 17.2427825927734, 27.3710041046143, 324.202239990234, -15.5579681396484, -1.66470611095428, 0.493833303451538, 22.5147228240967, 14.0052766799927, 81.0658493041992, 1.0, 0.0154731515794992, 2.51621437072754, 0.11196544021368, 46.0786895751953, 4.01329946517944
-InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, 1.0, 0.823316097259521, 11.5142116546631, 260.830841064453, 129.75373840332, 0.667796075344086, 0.332203924655914, -131.077117919922, -198.565155029297, 98.7788467407227, -0.508379399776459, 0.252900004386902, 297.343994140625, -37.3630523681641, 16.6651782989502, 69.0100173950195, -0.0956593155860901, 0.0426672697067261, 54.0282325744629, 101.876510620117, 321.574554443359, -77.5564880371094, -14.593433380127, 0.46854367852211, 19.9023780822754, 4.53962087631226, 50.6798095703125, 0.0, 0.17668391764164, 13.4903717041016, 0.286295801401138, 38.5814933776855, 6.50916147232056
-InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2, 1.0, 0.759020626544952, 3.30825901031494, 150.8857421875, 273.705627441406, 0.355366945266724, 0.644633054733276, 122.819892883301, -194.836776733398, 353.432495117188, -0.458880662918091, 0.832406222820282, 548.269287109375, -31.9937191009521, 24.1852931976318, 102.317764282227, -0.0753517895936966, 0.0569613389670849, 56.179012298584, 64.0647811889648, 322.273620605469, -82.7260131835938, -13.5842571258545, 0.297167658805847, 26.6739292144775, 14.7640695571899, 116.213050842285, 1.0, 0.240979373455048, 8.50531196594238, 0.163438007235527, 150.064376831055, 10.2688665390015
-InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, 2.0, 0.884350419044495, 3.5690290927887, 195.249526977539, 293.715972900391, 0.399311453104019, 0.600688517093658, 98.4664459228516, -205.758331298828, 309.524475097656, -0.420803368091583, 0.633019030094147, 515.282775878906, -24.9166412353516, 24.166576385498, 56.5486679077148, -0.0509578734636307, 0.0494238883256912, 49.0832176208496, 95.4702835083008, 432.416839599609, -100.60871887207, -12.1833782196045, 0.286995559930801, 34.2215156555176, 14.078483581543, 143.616973876953, 2.0, 0.115649610757828, 5.61260414123535, 0.117761731147766, 151.346786499023, 11.8166217803955
-InChI%3D1S%2FC4H7N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2H%2C1%2C3H2%2C%28H2%2C5%2C8%29, 2.0, 0.707302391529083, 2.92125415802002, 131.984069824219, 217.899551391602, 0.377222776412964, 0.622777223587036, 85.9154815673828, -131.485565185547, 217.076538085938, -0.375797986984253, 0.62042498588562, 348.562103271484, -24.8003425598145, 22.5364875793457, 102.410095214844, -0.070881687104702, 0.0644113793969154, 47.3368301391602, 46.179069519043, 247.473541259766, -46.0046463012695, -8.67723369598389, 0.335732817649841, 16.61155128479, 9.27044868469238, 76.2394866943359, 3.0, 0.292697578668594, 9.71427059173584, 0.23456983268261, 75.951530456543, 7.88514804840088
-InChI%3D1S%2FC4H7F3N2O%2Fc1-2-9%288-10%293-4%285%2C6%297%2Fh2-3H2%2C1H3, 0.0, 1.0, 0.0, 162.322341918945, 150.45002746582, 0.51897919178009, 0.481020838022232, -11.8723239898682, -136.810928344727, 126.804512023926, -0.437413722276688, 0.405421078205109, 263.615447998047, -24.8631801605225, 5.32050609588623, 0.0, -0.0794928967952728, 0.0170107930898666, 30.183687210083, 50.7699432373047, 312.772369384766, -42.7906761169434, -7.77651596069336, 0.200959533452988, 16.3805503845215, 12.879448890686, 47.0566101074219, 1.0, 0.0, 7.47756052017212, 0.47878760099411, 39.660945892334, 1.66410732269287
-InChI%3D1S%2FC9H13N.ClH%2Fc1-6-4-8%283%299%2810%295-7%286%292%3B%2Fh4-5H%2C10H2%2C1-3H3%3B1H, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 28.4551029205322, 15.0648975372314, , 1.0, , , , , 
-InChI%3D1S%2FC9H10O2%2Fc1-2-4-8%285-3-1%2910-6-9-7-11-9%2Fh1-5%2C9H%2C6-7H2, 0.0, 0.875562727451324, 0.186727181077003, 122.205169677734, 258.619842529297, 0.320895880460739, 0.679104149341583, 136.414657592773, -116.952018737793, 247.502716064453, -0.307101726531982, 0.649911940097809, 364.454742431641, -21.1133918762207, 16.4072189331055, 47.3888320922852, -0.0554411895573139, 0.0430833548307419, 37.5206108093262, 46.5387840270996, 333.436187744141, -44.5382537841797, -8.04050731658936, 0.386612564325333, 24.111930847168, 14.7640695571899, 98.488899230957, 1.0, 0.124437287449837, 14.2363014221191, 0.109954178333282, 94.2552261352539, 6.2482795715332
-InChI%3D1S%2FC13H11NO2%2Fc1-15-13-6-9-8-4-2-3-5-11%288%2916-12%289%297-10%2813%2914%2Fh2-7H%2C14H2%2C1H3, 1.0, 0.878918707370758, 1.85357964038849, 148.315551757812, 297.414733886719, 0.332747280597687, 0.667252719402313, 149.099197387695, -176.293212890625, 353.517913818359, -0.395515441894531, 0.793120682239532, 529.811096191406, -20.5725002288818, 20.3441009521484, 53.9695930480957, -0.0461545921862125, 0.0456421747803688, 40.9165992736816, 66.1087341308594, 391.760681152344, -78.5792236328125, -9.16978645324707, 0.291956543922424, 32.9187240600586, 15.1972770690918, 132.566757202148, 1.0, 0.121081277728081, 3.59190320968628, 0.104474797844887, 157.573638916016, 9.0679817199707
-InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3, 0.0, 1.0, 4.20953845977783, 57.8410415649414, 214.516906738281, 0.212371408939362, 0.787628591060638, 156.675872802734, -17.2954616546631, 64.1442337036133, -0.0635026842355728, 0.235514432191849, 81.4396896362305, -7.85531616210938, 7.62015199661255, 0.0, -0.0288418829441071, 0.0279784444719553, 15.4754686355591, 15.7534675598145, 272.357940673828, -4.7105565071106, -2.1394579410553, 0.565301597118378, 10.5227575302124, 8.17724227905273, 58.4253883361816, 1.0, 0.0, 4.87830543518066, 0.138189539313316, 17.4701919555664, 2.07540893554688
-InChI%3D1S%2FC18H18Cl2N2O3%2Fc1-24-15-7-6-11%288-16%2815%2925-12-4-2-3-5-12%2918%2823%2922-17-13%2819%299-21-10-14%2817%2920%2Fh6-10%2C12H%2C2-5H2%2C1H3%2C%28H%2C21%2C22%2C23%29, 1.0, 0.904617130756378, 0.689850091934204, 227.92041015625, 467.505767822266, 0.327742069959641, 0.672257959842682, 239.585357666016, -466.366790771484, 956.602233886719, -0.670620143413544, 1.37556254863739, 1422.96899414062, -37.2043380737305, 23.6593017578125, 66.3317413330078, -0.0534986183047295, 0.0340212993323803, 60.863639831543, 158.501815795898, 629.094421386719, -324.323669433594, -25.8728713989258, 0.169092744588852, 55.3154449462891, 31.6605548858643, 325.115753173828, 3.0, 0.0953828692436218, 0.866802513599396, 0.1354059278965, 665.246215820312, 16.453296661377
-InChI%3D1S%2FC14H19N3S.ClH%2Fc1-16%282%299-10-17%2812-13-6-5-11-18-13%2914-7-3-4-8-15-14%3B%2Fh3-8%2C11H%2C9-10%2C12H2%2C1-2H3%3B1H, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 46.3558616638184, 29.8441390991211, , 3.0, , , , , 
-InChI%3D1S%2FC21H27NO7%2Fc1-6-15-11-13%282%2920%284%2C29-14%283%2923%2919%2825%2927-12-16-7-9-22%285%2910-8-17%2821%2816%2C22%2926%2928-18%2815%2924%2Fh6-7%2C11%2C13%2C17H%2C1%2C8-10%2C12H2%2C2-5H3%2Fb15-11%2B%2Ft13-%2C17%2B%2C20-%2C21%3F%2C22%3F%2Fm0%2Fs1, 0.0, 0.863389253616333, 0.144023180007935, 210.332885742188, 493.899688720703, 0.298669636249542, 0.701330363750458, 283.566802978516, -568.718688964844, 1335.45446777344, -0.807572245597839, 1.8963258266449, 1904.17309570312, -32.9792060852051, 21.7819995880127, 96.2057266235352, -0.0468299947679043, 0.030930120497942, 54.7612075805664, 148.123275756836, 608.02685546875, -400.510223388672, -23.2250328063965, 0.114223644137383, 61.6774101257324, 41.7365875244141, 347.820251464844, 7.0, 0.136610731482506, 0.250477910041809, 0.109038800001144, 940.470520019531, 15.3395929336548
-InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295, 0.0, 0.846327185630798, 74.2817153930664, 409.093994140625, 74.2817153930664, 0.846327185630798, 0.153672829270363, -334.812286376953, -153.312194824219, 27.8378372192383, -0.317169815301895, 0.0575904734432697, 181.150024414062, -38.3280487060547, 27.8378372192383, 74.2817153930664, -0.0792924538254738, 0.0575904734432697, 66.165885925293, 197.746109008789, 409.093994140625, -74.1073913574219, -18.5268478393555, 0.25, 10.4799995422363, 1.67999994754791, 35.9059791564941, 0.0, 0.153672829270363, 23.3985824584961, 1.0, 13.4561347961426, 13.4561347961426
-InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29, 2.0, 0.595943212509155, 2.55173802375793, 92.6453475952148, 175.720626831055, 0.345220148563385, 0.654779851436615, 83.0752868652344, -86.4647979736328, 163.997970581055, -0.322189837694168, 0.611098170280457, 250.462753295898, -24.9871273040771, 14.8755044937134, 108.435089111328, -0.0931084007024765, 0.0554299168288708, 39.8626289367676, 24.8628597259521, 159.930892944336, -23.2042083740234, -6.70569467544556, 0.349160969257355, 12.6515512466431, 9.56844902038574, 47.1574401855469, 3.0, 0.404056757688522, 11.6639699935913, 0.295053899288177, 44.011474609375, 3.99207925796509
-InChI%3D1S%2FC7H8N2O%2Fc1-9%288-10%297-5-3-2-4-6-7%2Fh2-6H%2C1H3, 0.0, 1.0, 1.53825604915619, 115.715034484863, 210.833099365234, 0.354358285665512, 0.64564174413681, 95.1180648803711, -61.4886665344238, 112.032508850098, -0.188298940658569, 0.343081146478653, 173.521179199219, -10.1681213378906, 10.7339344024658, 0.0, -0.0311382003128529, 0.0328709110617638, 20.9020557403564, 37.7865295410156, 326.548126220703, -20.0790100097656, -3.32038116455078, 0.254208505153656, 20.656343460083, 10.3636560440063, 68.8471527099609, 1.0, 0.0, 0.793628215789795, 0.119887880980968, 36.5840072631836, 3.50514626502991
-InChI%3D1S%2FC21H28O5%2Fc1-19-7-5-13%2823%299-12%2819%293-4-14-15-6-8-21%2826%2C17%2825%2911-22%2920%2815%2C2%2910-16%2824%2918%2814%2919%2Fh5%2C7%2C9%2C14-16%2C18%2C22%2C24%2C26H%2C3-4%2C6%2C8%2C10-11H2%2C1-2H3%2Ft14%3F%2C15-%2C16-%2C18%2B%2C19-%2C20%3F%2C21-%2Fm0%2Fs1, 3.0, 0.660098850727081, 1.49592483043671, 211.629760742188, 412.076934814453, 0.339309722185135, 0.660690248012543, 200.447189331055, -471.611450195312, 918.302856445312, -0.756142973899841, 1.47233128547668, 1389.91430664062, -54.702938079834, 28.2654113769531, 211.998626708984, -0.0877061933279037, 0.0453184321522713, 82.9683532714844, 131.994903564453, 411.708068847656, -294.147216796875, -34.1185913085938, 0.176106959581375, 59.6402053833008, 32.5257949829102, 257.015167236328, 5.0, 0.339901149272919, 3.33519196510315, 0.0948407351970673, 572.751647949219, 17.6293258666992
-InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3, 1.0, 0.762624144554138, 5.71843004226685, 121.175872802734, 210.195068359375, 0.365680456161499, 0.634319543838501, 89.0191879272461, -100.152931213379, 173.728073120117, -0.3022381067276, 0.524270713329315, 273.881011962891, -22.1812858581543, 15.8971214294434, 78.6594619750977, -0.0669379383325577, 0.0479737967252731, 38.0784072875977, 40.1541633605957, 252.711486816406, -33.1877708435059, -7.35023355484009, 0.436047166585922, 19.2583446502686, 10.6616563796997, 69.6525344848633, 0.0, 0.237375855445862, 16.1311473846436, 0.263501137495041, 57.5684356689453, 5.26784420013428
-InChI%3D1S%2FC10H9N3O3%2Fc1-6-5-7%282%2912-10%2811-6%298-3-4-9%2816-8%2913%2814%2915%2Fh3-5H%2C1-2H3, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 29.3071365356445, 15.6508626937866, , 2.0, , , , , 
-InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3, 1.0, 0.95179146528244, 0.893302917480469, 112.864402770996, 210.154907226562, 0.349404484033585, 0.650595486164093, 97.2905120849609, -94.0791702270508, 175.176574707031, -0.291249364614487, 0.542309939861298, 269.255737304688, -14.8811645507812, 11.8501787185669, 15.5722856521606, -0.0460689626634121, 0.0366856642067432, 26.7313423156738, 36.4573822021484, 307.447021484375, -30.3893890380859, -4.80690336227417, 0.382344335317612, 19.0383434295654, 12.641655921936, 67.8840942382812, 2.0, 0.0482085272669792, 1.67788457870483, 0.249167785048485, 56.5854187011719, 3.82783651351929
-InChI%3D1S%2FC14H13N3O2S%2Fc1-19-13-7-9%2820%282%2918%293-4-10%2813%2914-16-11-5-6-15-8-12%2811%2917-14%2Fh3-8H%2C1-2H3%2C%28H%2C16%2C17%29, 2.0, 0.822012722492218, 0.785319268703461, 139.63102722168, 410.754150390625, 0.253696918487549, 0.746303081512451, 271.123107910156, -214.388671875, 630.669555664062, -0.389524817466736, 1.1458694934845, 845.058227539062, -27.0096702575684, 24.2697448730469, 97.9615631103516, -0.0490741245448589, 0.0440959297120571, 51.2794151306152, 76.8508453369141, 452.423614501953, -117.99634552002, -14.8657217025757, 0.227035135030746, 42.4458961486816, 25.3321056365967, 226.072982788086, 4.0, 0.177987277507782, 0.038794219493866, 0.0847240909934044, 347.111175537109, 13.3577070236206
-InChI%3D1S%2FC15H11NO2%2Fc1-8-6-7-11-12%2813%288%2916%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C16H2%2C1H3, 1.0, 0.843094646930695, 1.06559264659882, 187.330352783203, 292.642150878906, 0.390293926000595, 0.609706044197083, 105.311790466309, -239.240005493164, 373.733917236328, -0.498445242643356, 0.778656959533691, 612.973937988281, -27.6597461700439, 18.3830242156982, 75.3102493286133, -0.0576277747750282, 0.0383001603186131, 46.0427703857422, 89.9134140014648, 404.662231445312, -114.828620910645, -13.2759170532227, 0.236165687441826, 36.4387245178223, 13.2812767028809, 140.460174560547, 3.0, 0.156905353069305, 3.74909734725952, 0.153319329023361, 179.38200378418, 8.82334518432617
-InChI%3D1S%2FC3H8N2O%2Fc1-3-5%286%294-2%2Fh3H2%2C1-2H3, 0.0, 1.0, 1.54222750663757, 84.3835906982422, 232.7822265625, 0.266055107116699, 0.733944892883301, 148.398635864258, -38.7309646606445, 106.84400177002, -0.122115820646286, 0.336871117353439, 145.574966430664, -10.0395364761353, 9.69664096832275, 0.0, -0.0316539071500301, 0.0305727794766426, 19.736177444458, 26.7635898590088, 317.165832519531, -12.2841377258301, -3.18419790267944, 0.390919417142868, 13.6163444519043, 10.3636560440063, 73.83056640625, 1.0, 0.0, 7.01173782348633, 0.167370453476906, 33.887264251709, 3.07544302940369
-InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H, 0.0, 1.0, 0.921889185905457, 200.300354003906, 149.556991577148, 0.572520077228546, 0.427479922771454, -50.7433662414551, -80.5080413818359, 60.1124267578125, -0.23011676967144, 0.171819821000099, 140.620468139648, -20.6875495910645, 9.96234893798828, 0.0, -0.059131383895874, 0.02847545966506, 30.6498985290527, 70.0765533447266, 349.857360839844, -28.1663303375244, -7.23769092559814, 0.324440598487854, 17.5871715545654, 5.21282815933228, 52.3236122131348, 0.0, 0.0, 23.2880554199219, 0.180951297283173, 21.0307731628418, 3.48540091514587
-InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3, 0.0, 1.0, 5.93048620223999, 131.54768371582, 180.321914672852, 0.42180347442627, 0.57819652557373, 48.7742385864258, -25.4258594512939, 34.8530654907227, -0.0815272107720375, 0.11175524443388, 60.278923034668, -14.5228881835938, 5.56695413589478, 0.0, -0.0465671792626381, 0.0178502630442381, 20.0898418426514, 41.0257225036621, 311.869598388672, -7.92955255508423, -4.52924728393555, 0.74269026517868, 9.90396499633789, 6.75603485107422, 56.2369270324707, 0.0, 0.0, 63.1781158447266, 0.234540984034538, 10.8696117401123, 1.73616373538971
-InChI%3D1S%2FC13H17N3O2%2Fc1-10-8-15%2814-18%299-11%282%2916%2810%2913%2817%2912-6-4-3-5-7-12%2Fh3-7%2C10-11H%2C8-9H2%2C1-2H3, 0.0, 0.944275677204132, 0.0751163735985756, 167.232376098633, 353.16259765625, 0.321356624364853, 0.678643345832825, 185.930221557617, -196.76188659668, 415.523254394531, -0.378101050853729, 0.798476696014404, 612.28515625, -20.6679553985596, 15.4411430358887, 28.9986419677734, -0.039715901017189, 0.0296719670295715, 36.1091003417969, 87.0268859863281, 491.396331787109, -102.393898010254, -10.755500793457, 0.233412593603134, 39.1194801330566, 23.1405181884766, 183.784042358398, 3.0, 0.0557242929935455, 6.68056201934814, 0.199045017361641, 216.236206054688, 8.03549289703369
-InChI%3D1S%2FCd.H2O4S%2Fc%3B1-5%282%2C3%294%2Fh%3B%28H2%2C1%2C2%2C3%2C4%29%2Fq%2B2%3B%2Fp-2, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 13.3079996109009, 8.39200019836426, , 4.0, , , , , 
-InChI%3D1S%2FC9H8N4O2S%2Fc10-12-9-11-8%285-16-9%296-1-3-7%284-2-6%2913%2814%2915%2Fh1-5H%2C10H2%2C%28H%2C11%2C12%29, 3.0, 0.900803327560425, 2.46872544288635, 221.873458862305, 234.179489135742, 0.486508101224899, 0.513491868972778, 12.3060274124146, -303.097991943359, 319.909057617188, -0.664611399173737, 0.701473534107208, 623.007080078125, -30.1340656280518, 20.6207485198975, 45.2389335632324, -0.0660758092999458, 0.0452156886458397, 50.7548141479492, 101.186042785645, 410.814025878906, -138.228729248047, -13.7427291870117, 0.20823435485363, 32.7455177307129, 15.9944839477539, 106.798248291016, 3.0, 0.0991966724395752, 0.147192180156708, 0.104883171617985, 145.895477294922, 9.40415287017822
-InChI%3D1S%2F2Cr.2Na.7H2O%2Fh%3B%3B%3B%3B7%2A1H2%2Fq%3B%3B2%2A%2B1%3B%3B%3B%3B%3B%3B%3B%2Fp-2, 5.0, , , , , , , , , , , , , , , , , , , , , , , , 84.0155181884766, 1.62248396873474, , 7.0, , , , , 
-InChI%3D1S%2FC4H6%2Fc1-3-4-2%2Fh3-4H%2C1-2H2, 0.0, 1.0, 4.72006607055664, 105.54167175293, 173.569595336914, 0.37813475728035, 0.621865212917328, 68.0279159545898, -35.4882736206055, 58.3625869750977, -0.127147406339645, 0.209101513028145, 93.8508605957031, -8.8803596496582, 9.72381210327148, 0.0, -0.0318165570497513, 0.0348384827375412, 18.6041717529297, 29.4578704833984, 279.111267089844, -9.90517711639404, -2.47860836982727, 0.293559193611145, 11.0407581329346, 6.559241771698, 48.4452285766602, 0.0, 0.0, 7.18252754211426, 0.181896656751633, 16.2896556854248, 2.71402549743652
-InChI%3D1S%2FC17H23N3O.C4H4O4%2Fc1-19%282%2912-13-20%2817-6-4-5-11-18-17%2914-15-7-9-16%2821-3%2910-8-15%3B5-3%286%291-2-4%287%298%2Fh4-11H%2C12-14H2%2C1-3H3%3B1-2H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29%2Fb%3B2-1-, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 62.2734107971191, 38.628589630127, , 7.0, , , , , 
-InChI%3D1S%2FC6H6ClN.ClH%2Fc7-5-1-3-6%288%294-2-5%3B%2Fh1-4H%2C8H2%3B1H, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 20.6875514984131, 7.83244895935059, , 1.0, , , , , 
-InChI%3D1S%2FC12H2Cl6O2%2Fc13-3-1-5-11%289%2817%297%283%2915%2920-12-6%2819-5%292-4%2814%298%2816%2910%2812%2918%2Fh1-2H, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 37.1375846862793, 8.53841400146484, , 0.0, , , , , 
-InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3, 0.0, 0.860777854919434, 1.08286213874817, 104.205574035645, 283.309173583984, 0.268907368183136, 0.731092631816864, 179.103607177734, -94.3559875488281, 256.530578613281, -0.243490040302277, 0.661989212036133, 350.886566162109, -18.2658348083496, 12.049165725708, 53.950626373291, -0.0471358448266983, 0.0310934372246265, 30.3150005340576, 40.3811988830566, 333.564117431641, -36.564338684082, -7.07828092575073, 0.343967795372009, 25.0191020965576, 18.178897857666, 109.786491394043, 2.0, 0.139222130179405, 3.86934590339661, 0.289350479841232, 99.4093933105469, 4.66922950744629
-InChI%3D1S%2FCH4N2O2%2Fc1-2-3%284%295%2Fh2H%2C1H3, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 8.23117160797119, 4.96882820129395, , 1.0, , , , , 
-InChI%3D1S%2F2C2H4O2.4H2O.3Pb%2Fc2%2A1-2%283%294%3B%3B%3B%3B%3B%3B%3B%2Fh2%2A1H3%2C%28H%2C3%2C4%29%3B4%2A1H2%3B%3B%3B%2Fq%3B%3B%3B%3B%3B%3B3%2A%2B2%2Fp-6, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 40.5239295959473, 10.9320697784424, , 8.0, , , , , 
-InChI%3D1S%2FC8H8O%2Fc1-2-4-7%285-3-1%298-6-9-8%2Fh1-5%2C8H%2C6H2, 0.0, 0.900216102600098, 0.265106946229935, 104.936698913574, 216.144393920898, 0.326823055744171, 0.673176944255829, 111.207695007324, -71.5669174194336, 147.410659790039, -0.222893580794334, 0.459107249975204, 218.977569580078, -16.0471935272217, 13.6933870315552, 32.0387229919434, -0.0499786324799061, 0.0426477529108524, 29.7405796051025, 33.693187713623, 289.042358398438, -22.9787826538086, -5.15245008468628, 0.538754999637604, 20.216344833374, 10.6616563796997, 69.3998718261719, 1.0, 0.0997838973999023, 17.261022567749, 0.156108051538467, 47.3307723999023, 4.39668750762939
-InChI%3D1S%2FC12H19NO3%2Fc1-12%282%2C3%2913-7-11%2816%298-4-9%2814%296-10%2815%295-8%2Fh4-6%2C11%2C13-16H%2C7H2%2C1-3H3, 4.0, 0.679132223129272, 2.94069409370422, 172.743591308594, 354.572296142578, 0.327590346336365, 0.672409653663635, 181.828704833984, -280.751983642578, 576.26953125, -0.532417058944702, 1.09283554553986, 857.021545410156, -42.0815925598145, 24.5553855895996, 169.198654174805, -0.0798033848404884, 0.0465667471289635, 66.6369781494141, 91.0904388427734, 358.117218017578, -148.044967651367, -22.1902904510498, 0.237814456224442, 37.2950668334961, 21.4309329986572, 186.971603393555, 2.0, 0.320867747068405, 5.43169403076172, 0.134002491831779, 303.876068115234, 12.9484443664551
-InChI%3D1S%2FC13H11NO5%2Fc1-2-14-5-8%2813%2816%2917%2912%2815%297-3-10-11%284-9%287%2914%2919-6-18-10%2Fh3-5H%2C2%2C6H2%2C1H3%2C%28H%2C16%2C17%29, 1.0, 0.633591175079346, 0.562134325504303, 186.493225097656, 302.476409912109, 0.381400406360626, 0.618599593639374, 115.983184814453, -361.292449951172, 585.986145019531, -0.738885283470154, 1.19841015338898, 947.278625488281, -46.1362686157227, 23.2040100097656, 179.16276550293, -0.0943540558218956, 0.0474549122154713, 69.3402786254883, 91.1895217895508, 309.806854248047, -176.661041259766, -22.559232711792, 0.180604815483093, 35.9915161132812, 20.8464832305908, 147.901779174805, 3.0, 0.366408795118332, 0.377666801214218, 0.141862466931343, 286.529418945312, 11.3460559844971
-InChI%3D1S%2FC31H22N6O9S.Cu.2Na%2Fc38-26-12-9-21%2815-23%2826%2931%2842%2943%2934-32-19-5-1-17%282-6-19%2918-3-7-20%288-4-18%2933-37-29-28%2840%2914-11-24%2830%2829%2941%2935-36-25-16-22%2847%2844%2C45%2946%2910-13-27%2825%2939%3B%3B%3B%2Fh1-16%2C38-41H%2C%28H%2C42%2C43%29%28H%2C44%2C45%2C46%29%3B%3B%3B%2Fq%3B%2B2%3B2%2A%2B1%2Fp-4%2Fb34-32%3F%2C36-35%2B%2C37-33%3F%3B%3B%3B, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 136.580276489258, 34.9037246704102, , 11.0, , , , , 
-InChI%3D1S%2FC6H13N3O2%2Fc1-2-3-4-5-9%288-11%296%287%2910%2Fh2-5H2%2C1H3%2C%28H2%2C7%2C10%29, 2.0, 0.803090155124664, 1.5248099565506, 126.70588684082, 294.443054199219, 0.300857663154602, 0.699142336845398, 167.737167358398, -131.126190185547, 304.715087890625, -0.311353474855423, 0.723532795906067, 435.841247558594, -23.868335723877, 17.3815250396729, 82.9283752441406, -0.0566743351519108, 0.0412716828286648, 41.2498626708984, 53.3620529174805, 338.220581054688, -55.2236557006836, -10.0521249771118, 0.323197364807129, 24.1323089599609, 15.8296909332275, 124.004379272461, 3.0, 0.196909844875336, 9.18588542938232, 0.225514903664589, 128.330429077148, 7.3202109336853
-InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298, 0.0, 1.0, 0.0, 315.466156005859, 0.0, 1.0, 0.0, -315.466156005859, -208.95231628418, 0.0, -0.662360489368439, 0.0, 208.95231628418, -34.8253860473633, 0.0, 0.0, -0.110393412411213, 0.0, 34.8253860473633, 99.5189056396484, 315.466156005859, -65.9173889160156, -10.9862308502197, 0.16666667163372, 16.6000003814697, 2.51999998092651, 0.0, 0.0, 0.0, 8.81879997253418, 0.5, 0.0, 0.0
-InChI%3D1S%2FC6H3N3O5%2Fc10-6-8-7-5%2814-6%293-1-2-4%2813-3%299%2811%2912%2Fh1-2H%2C%28H%2C8%2C10%29, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 19.8703784942627, 9.68762111663818, , 2.0, , , , , 
-InChI%3D1S%2FC15H13NO2%2Fc1-10%2817%2916%2818%2913-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9%2C18H%2C8H2%2C1H3, 1.0, 0.848669648170471, 4.59490442276001, 239.230499267578, 327.084899902344, 0.422433346509933, 0.577566683292389, 87.8543930053711, -272.503540039062, 372.577026367188, -0.481186866760254, 0.65789669752121, 645.08056640625, -24.6767978668213, 21.5798740386963, 85.7006988525391, -0.0435743033885956, 0.0381057523190975, 46.2566719055176, 135.479904174805, 480.614685058594, -154.322937011719, -13.9748506546021, 0.264260560274124, 37.7723083496094, 15.8296909332275, 185.233200073242, 1.0, 0.151330336928368, 5.41107940673828, 0.209171205759048, 210.996109008789, 12.2210140228271
-InChI%3D1S%2FC15H18N2%2Fc1-10-7-12%283-5-14%2810%2916%299-13-4-6-15%2817%2911%282%298-13%2Fh3-8H%2C9%2C16-17H2%2C1-2H3, 2.0, 0.883873581886292, 1.76318359375, 178.624481201172, 373.261108398438, 0.323662161827087, 0.676337838172913, 194.636627197266, -204.435913085938, 427.19775390625, -0.37043172121048, 0.774069428443909, 631.633666992188, -24.4740982055664, 21.9179153442383, 64.088493347168, -0.0443463250994682, 0.0397146008908749, 46.3920135498047, 98.5802764892578, 487.797088623047, -112.825233459473, -13.5069017410278, 0.264067322015762, 40.6022758483887, 18.3577251434326, 205.997421264648, 2.0, 0.116126410663128, 7.71520519256592, 0.108438834547997, 235.764282226562, 12.0961809158325
-InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H, 0.0, 0.887919783592224, 5.70363140106201, 76.0727844238281, 172.517028808594, 0.306017309427261, 0.693982720375061, 96.4442443847656, -31.2269744873047, 70.8161926269531, -0.125616475939751, 0.28487166762352, 102.043167114258, -9.66588306427002, 10.9239139556885, 27.8619995117188, -0.0388828590512276, 0.0439435318112373, 20.5897979736328, 18.9109191894531, 220.727813720703, -7.76270771026611, -2.40283989906311, 0.643164932727814, 13.2339649200439, 6.78603506088257, 42.8859748840332, 1.0, 0.112080216407776, 17.9198608398438, 0.203332528471947, 17.6041831970215, 2.71557378768921
-InChI%3D1S%2FC6H14N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh5-6%2C9-10H%2C3-4H2%2C1-2H3, 2.0, 0.802520990371704, 3.78556418418884, 98.106201171875, 265.852264404297, 0.269553273916245, 0.730446696281433, 167.746063232422, -112.418952941895, 304.637542724609, -0.308878511190414, 0.837011814117432, 417.056488037109, -21.3596267700195, 15.3041162490845, 71.8741607666016, -0.0586869902908802, 0.0420490726828575, 36.6637420654297, 35.7065849304199, 292.084320068359, -40.915828704834, -7.77401733398438, 0.341551572084427, 24.5011024475098, 16.9228973388672, 96.7591857910156, 3.0, 0.197479009628296, 3.08345937728882, 0.183410257101059, 110.875419616699, 5.57006311416626
-InChI%3D1S%2FC6H14N2O4%2Fc1-5%2810%292-8%287-12%293-6%2811%294-9%2Fh5-6%2C9-11H%2C2-4H2%2C1H3, 3.0, 0.705200433731079, 0.260763019323349, 114.736610412598, 261.143005371094, 0.305248290300369, 0.694751679897308, 146.406387329102, -171.941619873047, 391.342834472656, -0.45743802189827, 1.04113876819611, 563.284484863281, -29.9236965179443, 19.9744491577148, 110.809143066406, -0.079609788954258, 0.0531405508518219, 49.8981437683105, 43.1271514892578, 265.070465087891, -64.6293487548828, -11.2477073669434, 0.262275755405426, 25.3031024932861, 16.9228973388672, 98.1583251953125, 4.0, 0.294799566268921, 6.78960800170898, 0.140327051281929, 147.097793579102, 7.50798797607422
-InChI%3D1S%2FC7H10N2OS%2Fc1-2-3-5-4-6%2810%299-7%2811%298-5%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C8%2C9%2C10%2C11%29, 1.0, 0.823128461837769, 4.73431301116943, 137.688018798828, 240.918792724609, 0.363670200109482, 0.636329770088196, 103.230781555176, -137.664169311523, 240.877059936523, -0.363607197999954, 0.636219561100006, 378.541229248047, -25.5639247894287, 15.3186635971069, 66.9647750854492, -0.0675210356712341, 0.0404606126248837, 40.8825874328613, 52.1296195983887, 311.642028808594, -52.1205902099609, -9.67867565155029, 0.344647526741028, 24.8899307250977, 15.8520698547363, 91.213493347168, 2.0, 0.176871553063393, 12.6713848114014, 0.219496220350266, 91.1976928710938, 5.79975032806396
-InChI%3D1S%2FC21H30O3%2Fc1-13%2822%2924-15-8-10-20%282%2914%2812-15%294-5-16-17-6-7-19%2823%2921%2817%2C3%2911-9-18%2816%2920%2Fh4%2C15-18H%2C5-12H2%2C1-3H3%2Ft15-%2C16%3F%2C17-%2C18-%2C20%3F%2C21%3F%2Fm0%2Fs1, 0.0, 0.846935391426086, 3.98730230331421, 109.032012939453, 519.056213378906, 0.17359347641468, 0.826406538486481, 410.024169921875, -159.225479125977, 758.006408691406, -0.253508150577545, 1.20684707164764, 917.231872558594, -22.7745666503906, 21.3905754089355, 96.138069152832, -0.0362601391971111, 0.0340566411614418, 44.1651420593262, 68.4817276000977, 531.950134277344, -100.00764465332, -14.3044366836548, 0.213890850543976, 59.3697891235352, 36.6282081604004, 326.013092041016, 3.0, 0.153064593672752, 0.395938962697983, 0.17683082818985, 476.094909667969, 13.4351682662964
-InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6-%2Fm1%2Fs1, 4.0, 0.643460929393768, 1.50158333778381, 225.339553833008, 221.901000976562, 0.503844201564789, 0.496155798435211, -3.43855500221252, -412.745300292969, 406.447021484375, -0.922870934009552, 0.908788442611694, 819.192321777344, -54.9596176147461, 22.6488056182861, 159.458724975586, -0.122886039316654, 0.0506412163376808, 77.6084213256836, 100.780982971191, 287.781829833984, -184.596435546875, -24.5801696777344, 0.212026298046112, 27.8695163726807, 15.6984844207764, 99.2431259155273, 4.0, 0.356539040803909, 6.39452600479126, 0.114851489663124, 181.779586791992, 10.1294641494751
-InChI%3D1S%2FC12H19N3O%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29, 3.0, 0.871301174163818, 0.251927405595779, 128.286590576172, 385.902313232422, 0.249493107199669, 0.75050687789917, 257.61572265625, -177.710113525391, 534.574584960938, -0.345612525939941, 1.03964626789093, 712.28466796875, -20.005859375, 21.0004634857178, 66.1754989624023, -0.0389076061546803, 0.0408419221639633, 41.0063209533691, 65.9635391235352, 448.013397216797, -91.3765716552734, -10.2867908477783, 0.198432177305222, 37.8910675048828, 22.3889331817627, 198.426681518555, 4.0, 0.12869881093502, 8.95703029632568, 0.16689071059227, 274.872314453125, 10.7982044219971
-InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3, 0.0, 1.0, 1.43270635604858, 62.0309104919434, 337.290924072266, 0.155340641736984, 0.844659328460693, 275.260009765625, -37.8516311645508, 205.816909790039, -0.0947897881269455, 0.515416145324707, 243.668548583984, -7.0408787727356, 9.70426464080811, 0.0, -0.0176320914179087, 0.0243018642067909, 16.7451438903809, 24.7702960968018, 399.321807861328, -15.1149816513062, -2.81157636642456, 0.266992032527924, 29.0842742919922, 21.295726776123, 134.687622070312, 1.0, 0.0, 1.12448966503143, 0.0736788734793663, 82.1871871948242, 3.87512469291687
-InChI%3D1S%2FC12H19N3O.ClH%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%3B%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29%3B1H, 3.0, , , , , , , , , , , , , , , , , , , , , , , , 40.7378616333008, 23.9021396636963, , 4.0, , , , , 
-InChI%3D1S%2FC4H6O2%2Fc1-3-2-4%285%296-3%2Fh3H%2C2H2%2C1H3, 0.0, 0.69554215669632, 3.14779686927795, 107.874641418457, 186.428756713867, 0.366542309522629, 0.633457720279694, 78.5541076660156, -66.3652114868164, 114.692230224609, -0.225499302148819, 0.38970747590065, 181.05744934082, -24.0351676940918, 8.56169414520264, 89.6029739379883, -0.081667996942997, 0.029091389849782, 32.5968627929688, 31.7478733062744, 204.700424194336, -19.5315074920654, -7.07363176345825, 0.507070124149323, 12.6447582244873, 9.43324184417725, 54.8666152954102, 2.0, 0.30445784330368, 13.2999601364136, 0.429584622383118, 33.7543144226074, 2.51973581314087
-InChI%3D1S%2FC7H8%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3, 0.0, 1.0, 3.38641929626465, 87.0813140869141, 208.810012817383, 0.294301688671112, 0.705698311328888, 121.728698730469, -34.1873321533203, 81.9769134521484, -0.11554016917944, 0.277050763368607, 116.164245605469, -5.0746865272522, 10.1804218292236, 0.0, -0.0171505082398653, 0.0344059467315674, 15.2551078796387, 25.7666072845459, 295.891326904297, -10.1157360076904, -1.50155568122864, 0.157267838716507, 17.6543445587158, 8.74565601348877, 61.7850723266602, 0.0, 0.0, 2.24542117118835, 0.157976180315018, 24.2562580108643, 3.01229858398438
-InChI%3D1S%2FC9H8O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-4H%2C5-6H2, 0.0, 0.702096581459045, 12.1642713546753, 126.768676757812, 233.105026245117, 0.352258801460266, 0.647741198539734, 106.336349487305, -99.3373870849609, 182.663772583008, -0.276034027338028, 0.507577419281006, 282.001159667969, -21.9394264221191, 19.4870738983154, 107.207618713379, -0.0609642378985882, 0.054149754345417, 41.4265022277832, 45.6207160949707, 252.666091918945, -35.7489128112793, -7.89542293548584, 0.354353904724121, 22.7783432006836, 11.6196556091309, 83.8883743286133, 1.0, 0.297903448343277, 7.11457538604736, 0.340491086244583, 65.7358856201172, 7.01288557052612
-InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H2, 0.0, 0.941462993621826, 0.508121728897095, 96.0595245361328, 238.659591674805, 0.286985456943512, 0.713014543056488, 142.600067138672, -48.2872772216797, 119.969589233398, -0.144262075424194, 0.358418703079224, 168.256866455078, -12.6634330749512, 10.570855140686, 19.5934581756592, -0.0378330126404762, 0.0315812714397907, 23.2342891693115, 32.1529579162598, 315.125671386719, -16.1626739501953, -4.23869323730469, 0.546015024185181, 16.1783447265625, 10.9596557617188, 79.8839263916016, 0.0, 0.0585370175540447, 10.6983232498169, 0.141729697585106, 40.1561164855957, 3.5382673740387
-InChI%3D1S%2FC15H18N4O5%2Fc1-5-9%2816%2912%2821%298-6%284-24-14%2817%2922%2915%2823-2%2913-7%2818-13%293-19%2815%2910%288%2911%285%2920%2Fh6-7%2C13%2C18H%2C3-4%2C16H2%2C1-2H3%2C%28H2%2C17%2C22%29%2Ft6-%2C7%2B%2C13%3F%2C15%3F%2Fm1%2Fs1, 4.0, 0.615454494953156, 0.631680548191071, 182.604873657227, 379.546844482422, 0.324832022190094, 0.675167977809906, 196.941955566406, -493.232147216797, 1025.19006347656, -0.877400457859039, 1.8236893415451, 1518.42224121094, -52.191349029541, 31.5935974121094, 216.172927856445, -0.0928421020507812, 0.0562011934816837, 83.7849426269531, 102.651641845703, 345.978790283203, -277.271301269531, -29.3394546508789, 0.133460089564323, 46.8122749328613, 27.405725479126, 213.362899780273, 9.0, 0.384545534849167, 1.97641170024872, 0.101959869265556, 576.312377929688, 17.7603950500488
-InChI%3D1S%2FC9H14N8S3%2Fc10-6-7%2817-20-16-6%2913-1-2-18-3-5-4-19-9%2814-5%2915-8%2811%2912%2Fh4H%2C1-3H2%2C%28H2%2C10%2C16%29%28H%2C13%2C17%29%28H4%2C11%2C12%2C14%2C15%29, 8.0, 0.837505877017975, 1.39582860469818, 160.912109375, 378.132171630859, 0.29851371049881, 0.70148628950119, 217.220062255859, -392.648132324219, 922.695556640625, -0.728415369987488, 1.71172499656677, 1315.34375, -34.7074127197266, 27.4725379943848, 87.5915298461914, -0.0643869414925575, 0.0509652718901634, 62.1799507141113, 86.7387542724609, 451.452758789062, -211.654739379883, -18.7088317871094, 0.128129065036774, 48.0094451904297, 32.8705558776855, 203.829986572266, 8.0, 0.162494122982025, 1.83025050163269, 0.0776097401976585, 497.373779296875, 14.8089141845703
-InChI%3D1S%2FC5H8%2Fc1-4-5%282%293%2Fh4H%2C1-2H2%2C3H3, 0.0, 1.0, 4.50307083129883, 131.48681640625, 231.418746948242, 0.362316876649857, 0.637683093547821, 99.9319381713867, -47.21533203125, 83.0996856689453, -0.130103632807732, 0.228984326124191, 130.315017700195, -10.4323425292969, 10.9102764129639, 0.0, -0.0287467129528522, 0.0300636794418097, 21.3426189422607, 47.7172966003418, 362.905548095703, -17.1347064971924, -3.78595495223999, 0.274197518825531, 14.1343441009521, 8.74565601348877, 83.9831466674805, 0.0, 0.0, 6.50184965133667, 0.171055272221565, 30.1573390960693, 3.95939993858337
-InChI%3D1S%2FC10H16%2Fc1-8%282%2910-6-4-9%283%295-7-10%2Fh4%2C10H%2C1%2C5-7H2%2C2-3H3%2Ft10-%2Fm0%2Fs1, 0.0, 1.0, 2.15928363800049, 67.8347396850586, 330.614013671875, 0.170247092843056, 0.829752922058105, 262.779266357422, -36.8325042724609, 179.514831542969, -0.0924397557973862, 0.450534284114838, 216.34733581543, -4.31700277328491, 10.9866456985474, 0.0, -0.0108345244079828, 0.0275735463947058, 15.3036479949951, 27.0286674499512, 398.448760986328, -14.6758651733398, -1.72010433673859, 0.183134391903877, 28.2686882019043, 17.4913120269775, 131.73274230957, 0.0, 0.0, 3.0697226524353, 0.105294242501259, 71.527458190918, 4.37761497497559
-InChI%3D1S%2FC12H4Br6%2Fc13-7-3-11%2817%299%2815%291-5%287%296-2-10%2816%2912%2818%294-8%286%2914%2Fh1-4H, 0.0, 1.0, 3.17106509208679, 490.546447753906, 161.877136230469, 0.751883387565613, 0.248116627335548, -328.669311523438, -338.334136962891, 111.648063659668, -0.518580496311188, 0.171128183603287, 449.982208251953, -44.9077796936035, 11.148383140564, 0.0, -0.0688322484493256, 0.0170876458287239, 56.0561637878418, 320.044067382812, 652.423583984375, -220.737167358398, -29.2988948822021, 0.144035592675209, 42.0871734619141, 12.1128282546997, 105.612464904785, 0.0, 0.0, 9.3370361328125, 0.107958346605301, 72.8418273925781, 7.27346801757812
-InChI%3D1S%2F2C8H16O2.Ca%2Fc2%2A1-3-5-7%286-4-2%298%289%2910%3B%2Fh2%2A7H%2C3-6H2%2C1-2H3%2C%28H%2C9%2C10%29%3B%2Fq%3B%3B%2B2%2Fp-2, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 74.1717910766602, 36.6282081604004, , 4.0, , , , , 
-InChI%3D1S%2FC13H12F2N6O%2Fc14-10-1-2-11%2812%2815%293-10%2913%2822%2C4-20-8-16-6-18-20%295-21-9-17-7-19-21%2Fh1-3%2C6-9%2C22H%2C4-5H2, 5.0, 0.689445912837982, 0.622772097587585, 174.925567626953, 366.570281982422, 0.323041379451752, 0.676958620548248, 191.644729614258, -415.854217529297, 871.455261230469, -0.767973065376282, 1.60934793949127, 1287.30944824219, -39.532341003418, 26.1550445556641, 168.16374206543, -0.073005810379982, 0.0483014658093452, 65.687385559082, 94.7214660644531, 373.332122802734, -225.183334350586, -21.4065990447998, 0.160570204257965, 44.731861114502, 28.2301406860352, 198.496292114258, 7.0, 0.310554087162018, 0.905425667762756, 0.0888064578175545, 471.889404296875, 14.1628475189209
-InChI%3D1S%2FC3H8N2O2%2Fc1-5%284-7%292-3-6%2Fh6H%2C2-3H2%2C1H3, 1.0, 0.826679110527039, 8.51901340484619, 75.8725433349609, 203.308883666992, 0.271767884492874, 0.728232145309448, 127.436340332031, -52.2036170959473, 139.885375976562, -0.186988145112991, 0.501055419445038, 192.088989257812, -15.5046491622925, 13.6566734313965, 48.3879699707031, -0.0555361025035381, 0.0489168390631676, 29.1613235473633, 21.1822071075439, 230.79345703125, -14.5742807388306, -4.32860994338989, 0.573127329349518, 14.4183435440063, 10.3636560440063, 56.760066986084, 2.0, 0.1733208745718, 11.7192077636719, 0.304902225732803, 39.0533981323242, 3.81268978118896
-InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2, 0.0, 0.961152076721191, 0.0, 64.1123123168945, 316.477661132812, 0.168455079197884, 0.831544935703278, 252.365341186523, -49.3506126403809, 243.609466552734, -0.129668712615967, 0.640083730220795, 292.960083007812, -4.52989530563354, 12.6819381713867, 14.785120010376, -0.0119022987782955, 0.0333217866718769, 17.2118339538574, 24.4005031585693, 365.804870605469, -18.7823486328125, -1.72403287887573, 0.326152205467224, 28.3915157318115, 25.3984832763672, 120.448226928711, 3.0, 0.0388478972017765, 2.18055653572083, 0.157511442899704, 92.7153167724609, 4.82661867141724
-InChI%3D1S%2FC14H7Br2NO2%2Fc15-8-5-9%2816%2912%2817%2911-10%288%2913%2818%296-3-1-2-4-7%286%2914%2811%2919%2Fh1-5H%2C17H2, 1.0, 0.860533356666565, 1.26021587848663, 279.949890136719, 215.117477416992, 0.565478384494781, 0.434521615505219, -64.8324127197266, -368.212585449219, 282.939788818359, -0.74376255273819, 0.571517765522003, 651.15234375, -37.6490745544434, 17.3517246246338, 69.0453796386719, -0.0760483890771866, 0.0350492186844349, 55.0008010864258, 138.594055175781, 426.02197265625, -182.290023803711, -18.6388282775879, 0.228440493345261, 38.1115493774414, 11.4884490966797, 106.49764251709, 3.0, 0.139466643333435, 4.0234203338623, 0.148967191576958, 140.074249267578, 8.59027290344238
-InChI%3D1S%2FC7H10N2O.H2O4S%2Fc1-10-7-3-2-5%288%294-6%287%299%3B1-5%282%2C3%294%2Fh2-4H%2C8-9H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29, 4.0, , , , , , , , , , , , , , , , , , , , , , , , 29.4315166473389, 20.1904830932617, , 6.0, , , , , 
-InChI%3D1S%2FH2SSe%2Fc1-2%2Fh2H2, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 6.67000007629395, 0.870000004768372, , 0.0, , , , , 
-InChI%3D1S%2F2ClH.Hg%2Fh2%2A1H%3B%2Fq%3B%3B%2B2%2Fp-2, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 10.0600004196167, 0.0, , 0.0, , , , , 
-InChI%3D1S%2FC39H59Cl2NO2%2Fc1-27%282%297-6-8-28%283%2934-15-16-35-33-14-11-30-26-32%2817-19-38%2830%2C4%2936%2833%2918-20-39%2834%2C35%295%2944-37%2843%2925-29-9-12-31%2813-10-29%2942%2823-21-40%2924-22-41%2Fh9-13%2C27-28%2C32-36H%2C6-8%2C14-26H2%2C1-5H3%2Ft28-%2C32%2B%2C33%3F%2C34-%2C35%2B%2C36%2B%2C38%3F%2C39%3F%2Fm1%2Fs1, 0.0, 0.964886009693146, 0.294638067483902, 205.14680480957, 632.970153808594, 0.244771078228951, 0.755228936672211, 427.823394775391, -524.460815429688, 1618.19750976562, -0.625760853290558, 1.93075370788574, 2142.658203125, -30.761381149292, 23.3984909057617, 29.4296379089355, -0.0367029681801796, 0.0279179308563471, 54.1598739624023, 171.93701171875, 808.687316894531, -439.559509277344, -25.7816352844238, 0.121911883354187, 113.044410705566, 66.9135894775391, 530.503051757812, 3.0, 0.0351139977574348, 0.0624944157898426, 0.104098469018936, 1356.23876953125, 19.6106739044189
-InChI%3D1S%2FC3H7NO%2Fc1-3%282%294-5%2Fh5H%2C1-2H3, 1.0, 0.712980926036835, 29.9299087524414, 149.819183349609, 255.468063354492, 0.369661718606949, 0.630338251590729, 105.648880004883, -69.1633377075195, 117.935661315918, -0.170652642846107, 0.290992766618729, 187.098999023438, -24.731409072876, 19.9836082458496, 116.325157165527, -0.0610219277441502, 0.0493072718381882, 44.715015411377, 60.7198028564453, 288.962097167969, -28.0310192108154, -10.0233240127563, 0.577779710292816, 11.8495512008667, 7.65244913101196, 103.537948608398, 0.0, 0.287019044160843, 34.9493827819824, 0.53603196144104, 47.7978172302246, 8.09910106658936
-InChI%3D1S%2FC2H3Cl2F%2Fc1-2%283%2C4%295%2Fh1H3, 0.0, 0.870317816734314, 32.6116714477539, 192.356414794922, 141.331253051758, 0.576456487178802, 0.42354354262352, -51.0251579284668, -77.8355865478516, 57.1886367797852, -0.233258813619614, 0.1713837236166, 135.024230957031, -24.6562595367432, 15.934009552002, 43.2733459472656, -0.0738902315497398, 0.0477512665092945, 40.5902671813965, 64.1869659423828, 290.414337158203, -25.9727764129639, -8.22748947143555, 0.477623552083969, 10.4373788833618, 5.32262086868286, 47.1604957580566, 0.0, 0.129682183265686, 23.5952625274658, 0.753620386123657, 19.0831432342529, 5.31698226928711
-InChI%3D1S%2FC9H8Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-2%2C5-6H%2C3-4H2, 0.0, 0.80561488866806, 0.0, 236.663269042969, 215.09228515625, 0.523874640464783, 0.476125359535217, -21.5709934234619, -286.14404296875, 260.063049316406, -0.633404552936554, 0.575672030448914, 546.207092285156, -35.4461708068848, 12.2424793243408, 87.8145523071289, -0.0784631669521332, 0.0270997863262892, 47.6886520385742, 106.913948059082, 363.941009521484, -129.267150878906, -16.0130062103271, 0.230439200997353, 33.3183441162109, 16.1816558837891, 97.1691360473633, 3.0, 0.194385096430779, 7.92767715454102, 0.273214757442474, 117.484931945801, 5.53060817718506
-InChI%3D1S%2FC16H14O6%2Fc17-10-2-1-8-13-9-4-12%2819%2911%2818%293-7%289%295-16%2813%2C21%296-22-15%288%2914%2810%2920%2Fh1-4%2C13%2C17-21H%2C5-6H2%2Ft13-%2C16%3F%2Fm0%2Fs1, 5.0, 0.480263620615005, 1.73440968990326, 207.045471191406, 316.113739013672, 0.395759969949722, 0.604240000247955, 109.068252563477, -488.756927490234, 746.226257324219, -0.93424129486084, 1.42638468742371, 1234.98315429688, -59.5864295959473, 37.3771705627441, 271.904876708984, -0.113897316157818, 0.0714451223611832, 96.9636001586914, 108.317749023438, 251.254333496094, -255.697692871094, -31.173189163208, 0.163337752223015, 42.3071022033691, 17.2208976745605, 165.377807617188, 1.0, 0.519736349582672, 4.28419160842896, 0.0923461243510246, 390.395141601562, 19.5542125701904
-InChI%3D1S%2FC14H8O4%2Fc15-9-5-1-3-7-11%289%2914%2818%2912-8%2813%287%2917%294-2-6-10%2812%2916%2Fh1-6%2C15-16H, 2.0, 0.676387369632721, 3.89602971076965, 225.528076171875, 265.957000732422, 0.458870649337769, 0.541129350662231, 40.4289169311523, -355.076293945312, 418.728485107422, -0.72245591878891, 0.85196578502655, 773.804748535156, -45.392204284668, 25.0906200408936, 159.050765991211, -0.0923572406172752, 0.0510506257414818, 70.4828262329102, 110.843681335449, 332.434295654297, -174.514694213867, -22.309591293335, 0.22842188179493, 33.1823425292969, 10.6616563796997, 130.713882446289, 2.0, 0.323612600564957, 8.28761959075928, 0.138346612453461, 205.798797607422, 12.3316640853882
-InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3, 1.0, 0.819177627563477, 7.78613948822021, 95.2281036376953, 240.458877563477, 0.283681243658066, 0.716318726539612, 145.230773925781, -47.6075630187988, 120.213050842285, -0.141821295022964, 0.358110547065735, 167.820617675781, -18.4053535461426, 9.65453624725342, 60.6997108459473, -0.0548289157450199, 0.0287605337798595, 28.0598907470703, 31.9668350219727, 274.987274169922, -15.9812393188477, -6.17843770980835, 0.780284762382507, 14.5099296569824, 10.9320697784424, 80.7189102172852, 1.0, 0.180822357535362, 32.932445526123, 0.421008199453354, 40.3539581298828, 3.24090218544006
-InChI%3D1S%2FC17H15NO2%2Fc1-11%2819%2918%2812%282%2920%2917-9-5-8-15-14-7-4-3-6-13%2814%2910-16%2815%2917%2Fh3-9H%2C10H2%2C1-2H3, 0.0, 0.855923175811768, 0.0, 207.276763916016, 320.289581298828, 0.392892301082611, 0.607107698917389, 113.012832641602, -245.102844238281, 378.739471435547, -0.464591503143311, 0.717899203300476, 623.84228515625, -28.0728797912598, 15.0539121627808, 76.0100860595703, -0.0532120354473591, 0.0285346321761608, 43.1267929077148, 109.352241516113, 451.556274414062, -129.308013916016, -14.8103065490723, 0.23662705719471, 42.6258964538574, 20.2941055297852, 168.974014282227, 3.0, 0.144076839089394, 9.23225212097168, 0.178123235702515, 199.810195922852, 7.94193744659424
-InChI%3D1S%2FC7H15N3O2%2Fc1-2-3-4-5-6-10%289-12%297%288%2911%2Fh2-6H2%2C1H3%2C%28H2%2C8%2C11%29, 2.0, 0.784394979476929, 0.72851175069809, 123.878601074219, 290.92822265625, 0.29864165186882, 0.701358318328857, 167.04963684082, -134.788665771484, 316.550476074219, -0.324943214654922, 0.763127386569977, 451.339141845703, -26.7406692504883, 15.3293352127075, 89.434440612793, -0.0644653514027596, 0.0369553565979004, 42.0700035095215, 51.3856925964355, 325.372406005859, -55.9112586975098, -11.092212677002, 0.307399660348892, 27.2258949279785, 18.0161056518555, 120.679023742676, 3.0, 0.215605035424232, 9.56855201721191, 0.214491844177246, 131.30729675293, 6.35871315002441
-InChI%3D1S%2FC6H14N2O%2Fc1-3-5-7-8%289%296-4-2%2Fh3-6H2%2C1-2H3, 0.0, 1.0, 0.320616036653519, 63.0198593139648, 309.088012695312, 0.169359102845192, 0.830640912055969, 246.068161010742, -38.2796096801758, 187.746673583984, -0.102872341871262, 0.504549026489258, 226.026275634766, -8.16159915924072, 9.82010746002197, 0.0, -0.0219334214925766, 0.0263904854655266, 17.9817066192627, 23.4501857757568, 372.107879638672, -14.2441444396973, -3.03699517250061, 0.289838433265686, 22.897102355957, 16.9228973388672, 115.014083862305, 1.0, 0.0, 2.74873566627502, 0.130703911185265, 69.8620147705078, 3.65413928031921
-InChI%3D1S%2FC17H22N2%2Fc1-18%282%2916-9-5-14%286-10-16%2913-15-7-11-17%2812-8-15%2919%283%294%2Fh5-12H%2C13H2%2C1-4H3, 0.0, 0.984312355518341, 0.78260749578476, 168.769104003906, 437.639190673828, 0.278309345245361, 0.721690654754639, 268.870086669922, -183.40934753418, 475.603179931641, -0.302451908588409, 0.784295260906219, 659.012512207031, -7.89304065704346, 19.8359661102295, 9.51313495635986, -0.0130160497501493, 0.0327105782926083, 27.7290077209473, 102.342987060547, 596.895202636719, -111.22095489502, -4.78640556335449, 0.258293598890305, 46.7894477844238, 28.0105533599854, 265.388061523438, 2.0, 0.0156876724213362, 1.31607580184937, 0.0585708767175674, 288.409729003906, 12.0286951065063
-InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918, 0.0, 1.0, 0.0, 485.162445068359, 0.0, 1.0, 0.0, -485.162445068359, -874.567199707031, 0.0, -1.80262756347656, 0.0, 874.567199707031, -72.8014831542969, 0.0, 0.0, -0.150055900216103, 0.0, 72.8014831542969, 235.382583618164, 485.162445068359, -424.30712890625, -35.3205451965332, 0.0877137333154678, 43.7599983215332, 5.03999996185303, 0.0, 0.0, 0.0, 3.46251368522644, 0.126115366816521, 0.0, 0.0
-InChI%3D1S%2FC5H8N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-2H%2C3-5H2, 0.0, 1.0, 3.4803454875946, 117.648742675781, 238.853942871094, 0.330008000135422, 0.669991970062256, 121.205207824707, -54.9073791503906, 111.474578857422, -0.154016733169556, 0.312689304351807, 166.381958007812, -11.4535894393921, 10.2896089553833, 0.0, -0.0321276374161243, 0.0288626421242952, 21.7431983947754, 41.9420928955078, 356.502685546875, -19.5746288299561, -4.08323574066162, 0.340375989675522, 17.136344909668, 10.3636560440063, 85.1520767211914, 1.0, 0.0, 2.99744534492493, 0.125258550047874, 39.7409858703613, 3.66827344894409
-InChI%3D1S%2FC11H17F3N6O%2Fc12-11%2813%2C14%297-17-10%2816%2918-9-4-6-20%2819-9%295-2-1-3-8%2815%2921%2Fh4%2C6H%2C1-3%2C5%2C7H2%2C%28H2%2C15%2C21%29%28H3%2C16%2C17%2C18%2C19%29, 5.0, 0.782152652740479, 0.0, 185.922546386719, 330.601318359375, 0.359949588775635, 0.640050411224365, 144.678756713867, -446.408538818359, 793.788879394531, -0.864255428314209, 1.53679025173187, 1240.19738769531, -41.1763610839844, 26.6180744171143, 112.523361206055, -0.079718217253685, 0.0515330955386162, 67.79443359375, 96.0334396362305, 404.00048828125, -230.580673217773, -21.2685737609863, 0.14510703086853, 41.1020660400391, 27.6799335479736, 170.763473510742, 7.0, 0.217847362160683, 2.62412714958191, 0.167336493730545, 410.010894775391, 13.7488708496094
-InChI%3D1S%2FC6H12N2O%2Fc1-6-4-2-3-5-8%286%297-9%2Fh6H%2C2-5H2%2C1H3%2Ft6-%2Fm1%2Fs1, 0.0, 1.0, 1.50795078277588, 61.0292320251465, 286.717376708984, 0.175499141216278, 0.824500858783722, 225.68815612793, -28.1950397491455, 132.461242675781, -0.0810792669653893, 0.380913108587265, 160.656295776367, -7.25484943389893, 8.74462413787842, 0.0, -0.0208624582737684, 0.0251465402543545, 15.9994735717773, 21.2227096557617, 347.746612548828, -9.80473041534424, -2.52284932136536, 0.346630871295929, 21.5635166168213, 14.7364835739136, 99.7050018310547, 1.0, 0.0, 2.14391565322876, 0.104547642171383, 46.0629501342773, 3.04091358184814
-InChI%3D1S%2FC8H12N2O3.Na%2Fc1-3-8%284-2%295%2811%299-7%2813%2910-6%288%2912%3B%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29%3B%2Fq%3B%2B1%2Fp-1, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 49.6207237243652, 16.58127784729, , 5.0, , , , , 
-InChI%3D1S%2FC3H8N2O%2Fc1-3-5%282%294-6%2Fh3H2%2C1-2H3, 0.0, 1.0, 2.76217889785767, 79.5854339599609, 224.501419067383, 0.261719405651093, 0.738280594348907, 144.915985107422, -27.5877227783203, 77.8218154907227, -0.0907231643795967, 0.255919694900513, 105.409538269043, -8.4357385635376, 7.37137794494629, 0.0, -0.0277412161231041, 0.0242410283535719, 15.8071174621582, 24.2008838653564, 304.086853027344, -8.38906383514404, -2.56519722938538, 0.479591101408005, 13.6163444519043, 10.3636560440063, 68.2679290771484, 1.0, 0.0, 3.05102682113647, 0.128855422139168, 23.6645908355713, 2.24153923988342
-InChI%3D1S%2FC27H50O6%2Fc1-4-7-10-13-16-19-25%2828%2931-22-24%2833-27%2830%2921-18-15-12-9-6-3%2923-32-26%2829%2920-17-14-11-8-5-2%2Fh24H%2C4-23H2%2C1-3H3, 0.0, 0.866104304790497, 0.109617605805397, 190.637817382812, 788.993408203125, 0.194601610302925, 0.805398404598236, 598.355590820312, -515.599975585938, 2133.91528320312, -0.526320457458496, 2.17828440666199, 2649.51538085938, -36.9514274597168, 26.0776500701904, 131.168426513672, -0.0377197340130806, 0.0266198627650738, 63.0290794372559, 186.754760742188, 848.462829589844, -505.097839355469, -36.1987762451172, 0.11566773802042, 85.6716537475586, 63.2823486328125, 772.922607421875, 6.0, 0.133895710110664, 0.807051002979279, 0.0968223810195923, 2090.4501953125, 25.546480178833
-InChI%3D1S%2FC39H41N3O6S2.Na%2Fc1-5-41%2827-29-9-7-11-37%2825-29%2949%2843%2C44%2945%2935-21-15-32%2816-22-35%2939%2831-13-19-34%2820-14-31%2940%283%294%2933-17-23-36%2824-18-33%2942%286-2%2928-30-10-8-12-38%2826-30%2950%2846%2C47%2948%3B%2Fh7-26H%2C5-6%2C27-28H2%2C1-4H3%2C%28H-%2C43%2C44%2C45%2C46%2C47%2C48%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 132.823715209961, 64.5362777709961, , 8.0, , , , , 
-InChI%3D1S%2FC11H10N4.ClH%2Fc1-15-9-5-4-8-7%283-2-6-13-8%2910%289%2914-11%2815%2912%3B%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29%3B1H, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 33.2747230529785, 16.4052772521973, , 4.0, , , , , 
-InChI%3D1S%2FC25H34O6%2Fc1-4-5-21-30-20-11-17-16-7-6-14-10-15%2827%298-9-23%2814%2C2%2922%2816%2918%2828%2912-24%2817%2C3%2925%2820%2C31-21%2919%2829%2913-26%2Fh8-10%2C16-18%2C20-22%2C26%2C28H%2C4-7%2C11-13H2%2C1-3H3%2Ft16-%2C17%3F%2C18-%2C20%2B%2C21%3F%2C22%3F%2C23-%2C24-%2C25%3F%2Fm0%2Fs1, 2.0, 0.754060864448547, 1.90562474727631, 192.390106201172, 538.972473144531, 0.263057082891464, 0.736942887306213, 346.582336425781, -500.249450683594, 1401.42687988281, -0.683996498584747, 1.91618633270264, 1901.67639160156, -42.8705558776855, 29.9806575775146, 179.870666503906, -0.0586173795163631, 0.0409928783774376, 72.8512115478516, 140.706924438477, 551.491882324219, -365.863708496094, -31.3539199829102, 0.150931626558304, 71.4829635620117, 42.9170379638672, 394.184265136719, 6.0, 0.245939120650291, 2.41567897796631, 0.0809599831700325, 1024.951171875, 21.9267292022705
-InChI%3D1S%2FC20H31NO6%2Fc1-6-13%284%2918%2823%2927-16-8-10-21-9-7-15%2817%2816%2921%2911-26-19%2824%2920%2825%2C12%282%293%2914%285%2922%2Fh6-7%2C12%2C14%2C16-17%2C22%2C25H%2C8-11H2%2C1-5H3%2Ft14%3F%2C16%3F%2C17-%2C20%3F%2Fm1%2Fs1, 2.0, 0.873695313930511, 0.0, 147.757064819336, 557.178649902344, 0.20960359275341, 0.790396392345428, 409.421600341797, -386.8916015625, 1458.93359375, -0.548832416534424, 2.06959795951843, 1845.8251953125, -26.440393447876, 22.1416568756104, 89.0367050170898, -0.0375075228512287, 0.0314094685018063, 48.5820503234863, 104.159233093262, 615.899047851562, -272.733703613281, -18.6387786865234, 0.14866216480732, 61.7825813293457, 41.6174163818359, 392.775146484375, 7.0, 0.126304715871811, 3.66640996932983, 0.113335512578487, 1028.45446777344, 15.6084451675415
-InChI%3D1S%2FC5H10N4O2%2Fc10-6-8-2-1-3-9%287-11%295-4-8%2Fh1-5H2, 0.0, 1.0, 1.11373865604401, 104.010391235352, 253.023864746094, 0.291317671537399, 0.708682298660278, 149.013473510742, -63.0849609375, 153.465438842773, -0.176691621541977, 0.429833948612213, 216.550399780273, -13.7454833984375, 9.72453594207764, 0.0, -0.0384990572929382, 0.0272369813174009, 23.4700183868408, 37.1352729797363, 357.034271240234, -22.5234928131104, -4.90760850906372, 0.266352832317352, 21.4719295501709, 14.1680698394775, 90.3381958007812, 2.0, 0.0, 1.50618970394135, 0.0763963386416435, 54.792423248291, 3.47199249267578
-InChI%3D1S%2FC6H6O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4%2C7-8H, 2.0, 0.543033540248871, 9.92541980743408, 138.10417175293, 179.901504516602, 0.434282094240189, 0.565717875957489, 41.7973289489746, -115.839584350586, 150.898513793945, -0.364268898963928, 0.474515169858932, 266.738098144531, -32.3729133605957, 20.9636573791504, 145.317932128906, -0.101799800992012, 0.065922275185585, 53.3365745544434, 43.917911529541, 172.687759399414, -36.837646484375, -10.294771194458, 0.429665774106979, 16.164758682251, 6.559241771698, 57.2097015380859, 0.0, 0.456966459751129, 15.0752372741699, 0.259644895792007, 47.9865837097168, 6.6665620803833
-InChI%3D1S%2FC9H11ClN2O%2Fc1-12%282%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29, 1.0, 0.902188777923584, 1.75788176059723, 188.984512329102, 256.983917236328, 0.423762083053589, 0.576237916946411, 67.9994049072266, -190.222183227539, 258.666931152344, -0.426537334918976, 0.58001172542572, 448.889099121094, -20.8422756195068, 14.6290111541748, 43.6207275390625, -0.0467348694801331, 0.0328027941286564, 35.4712867736816, 84.2811279296875, 402.347686767578, -84.8330841064453, -9.294997215271, 0.259276390075684, 28.3567237854004, 16.0432777404785, 114.606712341309, 3.0, 0.0978112444281578, 7.06638956069946, 0.276717275381088, 115.357276916504, 6.52407693862915
-InChI%3D1S%2FC16H16N2O4S%2Fc1-11%2819%2917-13-3-7-15%288-4-13%2923%2821%2C22%2916-9-5-14%286-10-16%2918-12%282%2920%2Fh3-10H%2C1-2H3%2C%28H%2C17%2C19%29%28H%2C18%2C20%29, 2.0, 0.644445955753326, 2.75043153762817, 261.128784179688, 376.270233154297, 0.409678667783737, 0.59032130241394, 115.141441345215, -494.717742919922, 712.857299804688, -0.776150822639465, 1.11838471889496, 1207.57507324219, -52.3486137390137, 25.9105644226074, 226.629806518555, -0.0821284800767899, 0.0406504608690739, 78.2591781616211, 166.443222045898, 410.769195556641, -315.332611083984, -33.3669548034668, 0.183785229921341, 47.1366882324219, 26.6073112487793, 239.834259033203, 6.0, 0.355554074048996, 6.88793659210205, 0.115655697882175, 454.374542236328, 16.5153675079346
-InChI%3D1S%2FC14H9Cl5%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13H, 0.0, 1.0, 0.0, 414.838500976562, 272.797058105469, 0.603282511234283, 0.396717488765717, -142.041442871094, -434.874938964844, 285.972991943359, -0.632420659065247, 0.415878683328629, 720.847900390625, -41.678035736084, 18.0872001647949, 0.0, -0.0606106445193291, 0.02630346827209, 59.7652359008789, 285.257720947266, 687.635559082031, -299.035491943359, -28.6592998504639, 0.124397866427898, 41.5411376953125, 11.9388628005981, 187.5849609375, 0.0, 0.0, 8.90415668487549, 0.265073329210281, 196.64518737793, 12.4374027252197
-InChI%3D1S%2FC4H10N2O3%2Fc7-3-1-6%285-9%292-4-8%2Fh7-8H%2C1-4H2, 2.0, 0.683019042015076, 7.78171920776367, 97.7365341186523, 230.183639526367, 0.298049777746201, 0.701950252056122, 132.447113037109, -105.26912689209, 247.92399597168, -0.321020603179932, 0.756049811840057, 353.193115234375, -27.7503852844238, 19.2703132629395, 103.944450378418, -0.0846254304051399, 0.0587652549147606, 47.0206985473633, 32.0497817993164, 223.975723266602, -34.5198707580566, -9.0999116897583, 0.366119414567947, 18.3139305114746, 12.55006980896, 75.4818572998047, 3.0, 0.316980957984924, 7.60103893280029, 0.194774657487869, 81.2992782592773, 6.31912469863892
-InChI%3D1S%2F2C2H4O2.Pb%2Fc2%2A1-2%283%294%3B%2Fh2%2A1H3%2C%28H%2C3%2C4%29%3B%2Fq%3B%3B%2B2%2Fp-2, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 21.0487575531006, 10.3912420272827, , 4.0, , , , , 
-InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 13.0711717605591, 7.24682807922363, , 1.0, , , , , 
-InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29, 2.0, 0.420473277568817, 2.24214386940002, 118.51847076416, 171.502548217773, 0.408654749393463, 0.591345250606537, 52.9840812683105, -126.953178405762, 183.708023071289, -0.437737852334976, 0.633430004119873, 310.661193847656, -34.4202919006348, 23.3601856231689, 168.074935913086, -0.11868204921484, 0.0805465281009674, 57.7804756164551, 34.3728485107422, 121.946090698242, -36.819091796875, -9.9826078414917, 0.32166463136673, 13.5111722946167, 7.01282787322998, 49.7393455505371, 2.0, 0.579526722431183, 12.2752628326416, 0.249284565448761, 53.2791900634766, 6.77494525909424
-InChI%3D1S%2FC12H12N2O3%2Fc1-3-14-6-9%2812%2816%2917%2910%2815%298-5-4-7%282%2913-11%288%2914%2Fh4-6H%2C3H2%2C1-2H3%2C%28H%2C16%2C17%29, 1.0, 0.705692708492279, 0.660106062889099, 143.606582641602, 313.292846679688, 0.314306765794754, 0.685693264007568, 169.686264038086, -222.297134399414, 484.964569091797, -0.486534059047699, 1.06142520904541, 707.261657714844, -32.0296096801758, 17.6839790344238, 134.468826293945, -0.0701021030545235, 0.0387043170630932, 49.7135925292969, 65.6137619018555, 322.430603027344, -101.567428588867, -14.6343107223511, 0.213853999972343, 35.0611038208008, 20.5208988189697, 143.143310546875, 5.0, 0.294307291507721, 4.77481031417847, 0.174916356801987, 221.580017089844, 8.07979965209961
-InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H, 2.0, 0.606977999210358, 8.84267711639404, 125.972579956055, 181.247421264648, 0.410040318965912, 0.589959681034088, 55.2748336791992, -112.486518859863, 161.843872070312, -0.366143226623535, 0.526801228523254, 274.330383300781, -25.5657863616943, 21.0155582427979, 120.744216918945, -0.0832165479660034, 0.0684055685997009, 46.5813446044922, 38.7012939453125, 186.475784301758, -34.55810546875, -7.85432100296021, 0.400645881891251, 16.164758682251, 6.559241771698, 55.6828308105469, 0.0, 0.393022000789642, 11.193151473999, 0.244030743837357, 49.7216758728027, 6.45639944076538
-InChI%3D1S%2FC12H12N2O2S%2Fc13-9-1-5-11%286-2-9%2917%2815%2C16%2912-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, 2.0, 0.77268385887146, 0.0903732031583786, 221.071472167969, 281.100128173828, 0.440230935811996, 0.559769034385681, 60.0286445617676, -304.905364990234, 387.697845458984, -0.607173681259155, 0.772042572498322, 692.603210449219, -32.9499282836914, 23.7528209686279, 114.151725769043, -0.0656148791313171, 0.0473002046346664, 56.7027473449707, 111.015815734863, 388.019866943359, -153.114822387695, -16.5465183258057, 0.219285652041435, 35.8255157470703, 18.2744846343994, 141.160491943359, 4.0, 0.227316170930862, 4.79220342636108, 0.149826481938362, 194.690841674805, 11.9279918670654
-InChI%3D1S%2FC14H12N4O3S%2Fc19-8-7-15-13-9-3-1-2-4-10%289%2916-14%2817-13%2911-5-6-12%2822-11%2918%2820%2921%2Fh1-6%2C19H%2C7-8H2%2C%28H%2C15%2C16%2C17%29, 3.0, 0.886135637760162, 3.36525774002075, 277.707458496094, 386.310028076172, 0.418223112821579, 0.581776916980743, 108.602577209473, -490.263824462891, 681.990417480469, -0.738329648971558, 1.02706694602966, 1172.25427246094, -37.3302001953125, 29.6119174957275, 75.60791015625, -0.0562187023460865, 0.0445950888097286, 66.9421157836914, 184.402603149414, 588.409606933594, -325.543731689453, -24.7879066467285, 0.223086312413216, 44.3478965759277, 22.574104309082, 256.5166015625, 4.0, 0.113864332437515, 8.32275104522705, 0.118845582008362, 452.853576660156, 19.6628303527832
-InChI%3D1S%2FC3H3N3O2S%2Fc4-3-5-1-2%289-3%296%287%298%2Fh1H%2C%28H2%2C4%2C5%29, 2.0, 0.854470431804657, 8.55105781555176, 186.719818115234, 141.542297363281, 0.56881320476532, 0.431186825037003, -45.1775245666504, -162.690719604492, 123.327117919922, -0.495612233877182, 0.375697076320648, 286.017852783203, -28.3417816162109, 16.1576194763184, 47.771842956543, -0.0863388776779175, 0.0492217019200325, 44.4994010925293, 61.2930450439453, 280.490264892578, -53.405200958252, -9.30353355407715, 0.324997246265411, 16.4179649353027, 9.66203498840332, 46.4629745483398, 2.0, 0.145529568195343, 12.4914064407349, 0.216791942715645, 40.4836235046387, 5.3039345741272
-InChI%3D1S%2FC7H4N2O3S%2Fc10-9%2811%297-2-1-6%2812-7%295-3-13-4-8-5%2Fh1-4H, 1.0, 0.932504713535309, 1.69410026073456, 190.266998291016, 212.520797729492, 0.472375273704529, 0.527624726295471, 22.2537994384766, -193.286193847656, 215.893112182617, -0.479871034622192, 0.535997211933136, 409.179321289062, -25.1611442565918, 14.5324897766113, 27.186279296875, -0.0624674968421459, 0.0360797680914402, 39.6936340332031, 76.6372222900391, 375.601501464844, -77.8533172607422, -10.1346015930176, 0.29363676905632, 25.160343170166, 14.8576555252075, 85.6007766723633, 1.0, 0.0674952939152718, 3.87444591522217, 0.231196448206902, 86.9591064453125, 5.85350942611694
-InChI%3D1S%2FC9H11N3O%2Fc13-11-12-6-2-4-9%2812%298-3-1-5-10-7-8%2Fh1%2C3%2C5%2C7%2C9H%2C2%2C4%2C6H2, 0.0, 0.9349125623703, 1.65554165840149, 108.345794677734, 319.724487304688, 0.25310280919075, 0.746897220611572, 211.378707885742, -78.3865966796875, 231.315994262695, -0.183116182684898, 0.540369212627411, 309.702606201172, -15.2938718795776, 14.1121063232422, 27.8619995117188, -0.0357274785637856, 0.0329667963087559, 29.4059791564941, 46.3796157836914, 400.208282470703, -33.5549736022949, -6.54685211181641, 0.364450335502625, 27.2767238616943, 14.9632768630981, 136.864562988281, 2.0, 0.0650874376296997, 10.154314994812, 0.115846320986748, 99.0195083618164, 6.04097366333008
-InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, 2.0, 0.621808230876923, 4.41020202636719, 127.908767700195, 219.467437744141, 0.368213951587677, 0.631786048412323, 91.5586776733398, -136.226226806641, 233.738647460938, -0.39215761423111, 0.67286890745163, 369.964874267578, -30.2590579986572, 18.6087818145752, 131.37483215332, -0.0871074572205544, 0.053569532930851, 48.8678398132324, 44.4324607849121, 216.001388549805, -47.3217506408691, -10.5112771987915, 0.338392823934555, 22.7851371765137, 11.158863067627, 76.2377700805664, 2.0, 0.378191769123077, 11.8053779602051, 0.205735564231873, 81.1952438354492, 6.46424770355225
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-InChI%3D1S%2FC12H10N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H%2Fb14-13%2B, 0.0, 1.0, 0.303437650203705, 156.086959838867, 244.113006591797, 0.390022426843643, 0.609977602958679, 88.0260543823242, -125.07804107666, 195.616455078125, -0.312538862228394, 0.488796770572662, 320.694488525391, -12.8370571136475, 15.4366006851196, 0.0, -0.032076608389616, 0.0385722182691097, 28.2736587524414, 62.465991973877, 400.199951171875, -50.056224822998, -5.13738965988159, 0.187132000923157, 29.9879302978516, 12.2520704269409, 97.6940155029297, 2.0, 0.0, 4.28794097900391, 0.10720743983984, 78.2856979370117, 6.17772674560547
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-InChI%3D1S%2FC10H10N2%2Fc11-9-5-1-3-7-8%289%294-2-6-10%287%2912%2Fh1-6H%2C11-12H2, 2.0, 0.896984279155731, 3.96591639518738, 112.05818939209, 247.320938110352, 0.311810523271561, 0.688189506530762, 135.262741088867, -102.641204833984, 226.53694152832, -0.285607039928436, 0.630356431007385, 329.178161621094, -15.0980014801025, 19.8708419799805, 37.0217056274414, -0.0420113503932953, 0.0552921406924725, 34.9688415527344, 40.2713737487793, 322.357421875, -36.8871078491211, -5.42590665817261, 0.329637408256531, 26.4679298400879, 9.61207008361816, 88.8819808959961, 2.0, 0.103015743196011, 5.99022006988525, 0.135505944490433, 81.4126434326172, 7.14116525650024
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-InChI%3D1S%2FCH4N2S%2Fc2-1%283%294%2Fh%28H4%2C2%2C3%2C4%29, 2.0, 0.778408944606781, 9.90991687774658, 115.430625915527, 148.402557373047, 0.437513679265976, 0.562486350536346, 32.9719314575195, -78.2603073120117, 100.614807128906, -0.296627998352051, 0.381357669830322, 178.875122070312, -22.9512004852295, 20.6088771820068, 58.463077545166, -0.0869913399219513, 0.0781132876873016, 43.5600776672363, 30.4544277191162, 205.370101928711, -20.6476669311523, -6.05528831481934, 0.418331414461136, 9.52717208862305, 5.99282789230347, 39.1535186767578, 2.0, 0.22159107029438, 15.9924993515015, 0.278585582971573, 26.545524597168, 5.43730545043945
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-InChI%3D1S%2FC17H13N3O3%2Fc1-11-6-8-14%2815%2810-11%2920%2822%2923%2918-19-17-13-5-3-2-4-12%2813%297-9-16%2817%2921%2Fh2-10%2C21H%2C1H3%2Fb19-18%2B, 1.0, 0.927799880504608, 1.38849830627441, 309.173706054688, 334.089813232422, 0.480633050203323, 0.519366979598999, 24.9161109924316, -443.262298583984, 478.984527587891, -0.689083516597748, 0.744616329669952, 922.246826171875, -34.3950653076172, 20.9413928985596, 46.443717956543, -0.0534696318209171, 0.0325549207627773, 55.3364562988281, 198.880172729492, 596.81982421875, -285.134490966797, -22.1250915527344, 0.249785959720612, 44.2943077087402, 16.787691116333, 214.907806396484, 2.0, 0.0722001418471336, 9.31884288787842, 0.151974231004715, 308.11328125, 13.4708337783813
-InChI%3D1S%2FC6H7ClN2%2Fc7-5-2-1-4%288%293-6%285%299%2Fh1-3H%2C8-9H2, 2.0, 0.887113630771637, 3.35409188270569, 141.181533813477, 202.428131103516, 0.410877674818039, 0.589122354984283, 61.2465934753418, -117.580276489258, 168.588302612305, -0.342191398143768, 0.490638971328735, 286.168579101562, -21.2687511444092, 19.1589069366455, 38.7888526916504, -0.0618980005383492, 0.0557577647268772, 40.4276580810547, 48.5113410949707, 304.82080078125, -40.4017181396484, -7.3081488609314, 0.363095372915268, 19.607551574707, 6.75244903564453, 69.5562591552734, 2.0, 0.112886384129524, 7.10084342956543, 0.149083182215691, 57.9285697937012, 6.58318567276001
-InChI%3D1S%2FC11H9BrO4.Na%2Fc1-16-8-4-2-7%283-5-8%2911%2815%299%2812%296-10%2813%2914%3B%2Fh2-6H%2C1H3%2C%28H%2C13%2C14%29%3B%2Fq%3B%2B1%2Fp-1%2Fb9-6%2B%3B, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 54.5523452758789, 14.8256559371948, , 3.0, , , , , 
-InChI%3D1S%2FC4H9NO2%2Fc1-3-4%282%295%286%297%2Fh4H%2C3H2%2C1-2H3, 0.0, 1.0, 0.0, 113.935699462891, 191.399444580078, 0.373149633407593, 0.626850366592407, 77.463737487793, -44.8857765197754, 75.4031677246094, -0.147004947066307, 0.246952146291733, 120.288948059082, -12.4546279907227, 5.28155040740967, 0.0, -0.0407900251448154, 0.0172975528985262, 17.7361793518066, 34.7885704040527, 305.335144042969, -13.7052049636841, -3.80283570289612, 0.335332036018372, 15.7451372146606, 11.0948629379272, 58.440975189209, 0.0, 0.0, 13.47487449646, 0.272137105464935, 23.0232372283936, 1.61264300346375
-InChI%3D1S%2FC6H12N2O4%2Fc1-5%2810%292-8%287-12%293-6%2811%294-9%2Fh6%2C9%2C11H%2C2-4H2%2C1H3, 2.0, 0.657510340213776, 3.58722877502441, 134.587463378906, 248.251525878906, 0.351551085710526, 0.648448884487152, 113.6640625, -184.118896484375, 339.614074707031, -0.480930358171463, 0.887093722820282, 523.732971191406, -33.8485488891602, 19.8393955230713, 131.118392944336, -0.0884145796298981, 0.0518217720091343, 53.6879425048828, 51.5253295898438, 251.720611572266, -70.4878921508789, -12.9585437774658, 0.287529528141022, 23.9695167541504, 15.694483757019, 95.0403671264648, 4.0, 0.342489629983902, 7.49249076843262, 0.153848454356194, 130.017517089844, 7.59529399871826
-InChI%3D1S%2FC10HCl11%2Fc11-2-1-3%2812%295%2814%294%281%2C13%2910%2820%2C21%297%282%2C16%298%285%2C17%296%282%2C15%299%283%2C18%2919%2Fh1H, 0.0, 0.979611277580261, 0.0, 568.938232421875, 95.8600387573242, 0.855805814266205, 0.144194170832634, -473.078216552734, -939.714111328125, 158.331817626953, -1.41353273391724, 0.238165214657784, 1098.0458984375, -85.3557281494141, 13.2276039123535, 13.5543689727783, -0.128393426537514, 0.0198971685022116, 98.5833282470703, 378.229156494141, 651.243896484375, -624.720336914062, -56.7443389892578, 0.0970427170395851, 42.2467918395996, 5.71320676803589, 63.7275886535645, 0.0, 0.0203886944800615, 5.85673093795776, 0.136416077613831, 105.258728027344, 8.79368782043457
-InChI%3D1S%2FC11H14N2O4%2Fc12-10%2814%2916-6-9%287-17-11%2813%2915%298-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2%2C%28H2%2C12%2C14%29%28H2%2C13%2C15%29, 4.0, 0.625640511512756, 1.63789188861847, 195.506729125977, 311.189544677734, 0.385846018791199, 0.614153981208801, 115.682807922363, -415.595672607422, 661.506713867188, -0.820206642150879, 1.30552911758423, 1077.10241699219, -41.5472717285156, 37.1294097900391, 189.686569213867, -0.0819964036345482, 0.0732774510979652, 78.6766815185547, 99.0625381469727, 317.009704589844, -210.580780029297, -21.0518474578857, 0.153296291828156, 34.1031036376953, 19.1368980407715, 157.678588867188, 6.0, 0.374359518289566, 5.22574806213379, 0.129555895924568, 335.183013916016, 18.8133335113525
-InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2, 0.0, 0.806799292564392, 0.280498087406158, 48.3286323547363, 201.818634033203, 0.193200722336769, 0.806799292564392, 153.489990234375, -36.3400192260742, 151.754608154297, -0.145274505019188, 0.606661081314087, 188.094619750977, -18.1700096130371, 12.0008039474487, 48.3286323547363, -0.072637252509594, 0.047974955290556, 30.1708126068115, 12.0892753601074, 201.818634033203, -9.09035587310791, -4.54517793655396, 0.5, 13.978343963623, 12.5776557922363, 50.4843788146973, 2.0, 0.193200722336769, 12.0750389099121, 0.0938867479562759, 37.9609985351562, 3.00196814537048
-InChI%3D1S%2FCd.2ClH%2Fh%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 11.5600004196167, 0.0, , 0.0, , , , , 
-InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H, 0.0, 1.0, 1.67778337001801, 168.371170043945, 162.480743408203, 0.50890189409256, 0.49109810590744, -5.8904128074646, -83.7750244140625, 80.8441848754883, -0.253210037946701, 0.24435156583786, 164.619201660156, -15.5432691574097, 10.4519157409668, 0.0, -0.0469795353710651, 0.0315909199416637, 25.9951858520508, 55.7059211730957, 330.851898193359, -27.7171268463135, -5.14252042770386, 0.254671931266785, 16.5979652404785, 6.72203493118286, 53.7570686340332, 0.0, 0.0, 11.5391521453857, 0.254047274589539, 26.7474517822266, 3.45803642272949
-InChI%3D1S%2FC6H12ClN3O3%2Fc1-5%2811%294-10%289-13%296%2812%298-3-2-7%2Fh5%2C11H%2C2-4H2%2C1H3%2C%28H%2C8%2C12%29, 2.0, 0.783419370651245, 0.667522192001343, 147.271484375, 237.244171142578, 0.383005172014236, 0.616994857788086, 89.9726943969727, -206.650726318359, 332.900054931641, -0.537431240081787, 0.865764558315277, 539.55078125, -32.1186027526855, 14.8056592941284, 83.2786483764648, -0.0835300236940384, 0.0385046973824501, 46.9242630004883, 56.6281890869141, 301.236999511719, -79.4604415893555, -12.3501052856445, 0.278909027576447, 26.4475154876709, 16.4764842987061, 91.2240982055664, 4.0, 0.216580644249916, 6.42589712142944, 0.168458580970764, 128.005279541016, 5.6930079460144
-InChI%3D1S%2FC11H16O2%2Fc1-11%282%2C3%299-7-8%2813-4%295-6-10%289%2912%2Fh5-7%2C12H%2C1-4H3, 1.0, 0.858953237533569, 4.81404638290405, 88.8001708984375, 360.704315185547, 0.197551235556602, 0.802448749542236, 271.904144287109, -87.0985336303711, 353.792327880859, -0.193765670061111, 0.787071824073792, 440.890869140625, -16.4547710418701, 18.540620803833, 63.4011421203613, -0.0366064645349979, 0.0412467978894711, 34.9953918457031, 39.916072845459, 386.103332519531, -39.1511840820312, -7.39649295806885, 0.367131263017654, 31.6326885223389, 19.4073123931885, 162.138214111328, 0.0, 0.141046747565269, 4.93498754501343, 0.22205413877964, 159.031234741211, 8.33409214019775
-InChI%3D1S%2FC5H10Br2O2%2Fc6-1-5%282-7%2C3-8%294-9%2Fh8-9H%2C1-4H2, 2.0, 0.73019278049469, 7.84858560562134, 174.046157836914, 223.214309692383, 0.438115954399109, 0.561884045600891, 49.1681594848633, -187.068634033203, 239.915649414062, -0.470896691083908, 0.603925347328186, 426.984283447266, -34.6805686950684, 22.1121120452881, 107.183738708496, -0.0872993171215057, 0.0556614957749844, 56.7926788330078, 69.1416549682617, 290.076721191406, -74.3149719238281, -13.7772188186646, 0.367468804121017, 23.1719303131104, 13.5120697021484, 88.6742248535156, 2.0, 0.26980721950531, 7.32556581497192, 0.195151627063751, 95.3090057373047, 8.78426837921143
-InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29, 1.0, 0.873167872428894, 1.34782528877258, 95.2401275634766, 186.437713623047, 0.338117212057114, 0.661882758140564, 91.1975860595703, -61.3177642822266, 120.032844543457, -0.21768756210804, 0.426135182380676, 181.350601196289, -16.1630783081055, 12.4646129608154, 35.7257995605469, -0.0573814325034618, 0.0442513041198254, 28.6276912689209, 26.827033996582, 245.952041625977, -17.2718563079834, -4.5527811050415, 0.413182497024536, 14.3807582855225, 10.8192415237427, 52.5153770446777, 2.0, 0.126832127571106, 4.73382997512817, 0.206047922372818, 33.8105926513672, 3.51100516319275
-InChI%3D1S%2FC11H8N2O5%2Fc12-11%2814%298%289-2-1-5-17-9%296-7-3-4-10%2818-7%2913%2815%2916%2Fh1-6H%2C%28H2%2C12%2C14%29, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 30.9043445587158, 13.8336563110352, , 2.0, , , , , 
-InChI%3D1S%2FC6H9NO%2Fc1-2-7-5-3-4-6%287%298%2Fh2H%2C1%2C3-5H2, 0.0, 0.84655773639679, 1.94844913482666, 108.896507263184, 227.162246704102, 0.324040085077286, 0.675959885120392, 118.265739440918, -69.7088928222656, 145.415405273438, -0.207430675625801, 0.432708263397217, 215.124298095703, -15.7484188079834, 10.883996963501, 51.5656204223633, -0.0468620993196964, 0.0323871821165085, 26.6324157714844, 36.5956268310547, 284.493133544922, -23.4262847900391, -5.29239416122437, 0.437356561422348, 18.4631366729736, 12.7768630981445, 76.3398666381836, 2.0, 0.15344226360321, 19.2934436798096, 0.322690218687057, 48.8681182861328, 3.6576623916626
-InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2%2Fb2-1%2B, 0.0, 1.0, 11.5423889160156, 185.321762084961, 190.529449462891, 0.493072152137756, 0.506927847862244, 5.20768070220947, -65.6924514770508, 67.538459777832, -0.174783125519753, 0.179694667458534, 133.230911254883, -25.7107830047607, 11.0389394760132, 0.0, -0.0684068128466606, 0.029370503500104, 36.7497215270996, 69.6534118652344, 375.851196289062, -24.6905879974365, -9.66342830657959, 0.476484477519989, 12.3071718215942, 5.21282815933228, 71.610725402832, 0.0, 0.0, 36.4689674377441, 0.231378927826881, 25.3844108581543, 4.14899873733521
-InChI%3D1S%2FC3H7N3O2%2Fc1-2-6%285-8%293%284%297%2Fh2H2%2C1H3%2C%28H2%2C4%2C7%29, 2.0, 0.665628433227539, 1.81438088417053, 122.456832885742, 162.209991455078, 0.430176019668579, 0.569823980331421, 39.7531471252441, -106.994346618652, 141.727920532227, -0.375858157873154, 0.497872978448868, 248.722259521484, -27.3017578125, 11.5935297012329, 95.1844863891602, -0.0959077626466751, 0.0407266616821289, 38.8952865600586, 34.8593978881836, 189.482330322266, -30.4577407836914, -7.77190446853638, 0.382809549570084, 14.8515510559082, 9.27044868469238, 46.1758003234863, 3.0, 0.334371566772461, 13.5075550079346, 0.267099261283875, 40.3452339172363, 3.30029320716858
-InChI%3D1S%2FC4H9N3O%2Fc8-6-7-3-1-5-2-4-7%2Fh5H%2C1-4H2, 1.0, 0.919156730175018, 4.38405418395996, 81.8435516357422, 253.690734863281, 0.243920087814331, 0.756079912185669, 171.847183227539, -49.4443321228027, 153.262771606445, -0.147359997034073, 0.456772297620773, 202.707107543945, -15.8145427703857, 12.1040287017822, 27.1256885528564, -0.047132421284914, 0.0360738933086395, 27.918571472168, 27.4613189697266, 308.408599853516, -16.5902690887451, -5.30632162094116, 0.519317388534546, 17.1431369781494, 12.1168632507324, 85.121940612793, 2.0, 0.0808432698249817, 14.086841583252, 0.202220171689987, 51.4249153137207, 4.06131649017334
-InChI%3D1S%2FC8H12F6N2O%2Fc9-7%2810%2C11%293-1-5-16%2815-17%296-2-4-8%2812%2C13%2914%2Fh1-6H2, 0.0, 1.0, 0.0, 241.975402832031, 219.222564697266, 0.524667084217072, 0.475332885980606, -22.7528381347656, -333.580535888672, 302.214111328125, -0.723291397094727, 0.655280649662018, 635.794616699219, -39.6715850830078, 7.44287967681885, 0.0, -0.0860185623168945, 0.0161381457000971, 47.1144676208496, 111.598556518555, 461.197967529297, -153.846649169922, -18.2964553833008, 0.124020770192146, 28.42551612854, 21.9544849395752, 101.104995727539, 1.0, 0.0, 5.24617719650269, 0.282481223344803, 139.380523681641, 3.43264079093933
-InChI%3D1S%2FC19H28O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh3%2C13-16%2C20H%2C4-11H2%2C1-2H3%2Ft13-%2C14%3F%2C15-%2C16-%2C18%3F%2C19%3F%2Fm0%2Fs1, 1.0, 0.832908034324646, 3.00843572616577, 111.898872375488, 421.206481933594, 0.209900110960007, 0.790099859237671, 309.3076171875, -142.760803222656, 537.376037597656, -0.267790973186493, 1.0080109834671, 680.136840820312, -26.4575958251953, 16.4441184997559, 89.0776290893555, -0.0496292039752007, 0.0308459065854549, 42.9017143249512, 59.6538887023926, 444.027740478516, -76.1065444946289, -14.1046857833862, 0.307637065649033, 53.7142028808594, 31.5677967071533, 224.547439575195, 2.0, 0.167091980576515, 9.95267200469971, 0.164839565753937, 286.478057861328, 8.76644802093506
-InChI%3D1S%2FC18H20O2%2Fc1-3-17%2813-5-9-15%2819%2910-6-13%2918%284-2%2914-7-11-16%2820%2912-8-14%2Fh5-12%2C19-20H%2C3-4H2%2C1-2H3, 2.0, 0.791763424873352, 3.48714518547058, 169.808792114258, 385.117370605469, 0.306002497673035, 0.693997502326965, 215.30859375, -229.917205810547, 521.440063476562, -0.414320349693298, 0.939656734466553, 751.357299804688, -29.6487007141113, 24.8453140258789, 115.555931091309, -0.053428191691637, 0.0447722896933556, 54.4940147399902, 94.2313385009766, 439.370208740234, -127.587066650391, -16.4528388977051, 0.266177982091904, 46.6198616027832, 21.8641395568848, 213.711700439453, 0.0, 0.208236590027809, 9.74845409393311, 0.160849094390869, 289.360748291016, 13.787314414978
-InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2, 0.0, 1.0, 3.38284254074097, 172.597396850586, 186.033569335938, 0.481267422437668, 0.518732607364655, 13.4361667633057, -59.8944206237793, 64.557014465332, -0.167008504271507, 0.180009588599205, 124.451431274414, -15.9729452133179, 10.5963535308838, 0.0, -0.0445386692881584, 0.0295466780662537, 26.569299697876, 61.8987731933594, 358.630950927734, -21.4799938201904, -5.72839307785034, 0.377663969993591, 12.5539646148682, 5.88603496551514, 66.717399597168, 0.0, 0.0, 24.7544345855713, 0.187073335051537, 23.1521434783936, 3.80018043518066
-InChI%3D1S%2FC24H38O4%2Fc1-5-9-13-19%287-3%2917-27-23%2825%2921-15-11-12-16-22%2821%2924%2826%2928-18-20%288-4%2914-10-6-2%2Fh11-12%2C15-16%2C19-20H%2C5-10%2C13-14%2C17-18H2%2C1-4H3, 0.0, 0.940452218055725, 0.401362270116806, 129.61457824707, 635.356750488281, 0.169437170028687, 0.830562829971313, 505.742156982422, -268.742858886719, 1317.3486328125, -0.351311028003693, 1.72208893299103, 1586.09143066406, -16.3609561920166, 21.7673873901367, 45.5523338317871, -0.0213876739144325, 0.0284551680088043, 38.128345489502, 99.1514358520508, 719.419006347656, -205.580581665039, -12.5156621932983, 0.150228843092918, 70.7861328125, 47.289867401123, 486.029693603516, 4.0, 0.0595477633178234, 0.744432389736176, 0.141805157065392, 1007.73388671875, 16.6514263153076
-InChI%3D1S%2FC3H5N3O9%2Fc7-4%288%2913-1-3%2815-6%2811%2912%292-14-5%289%2910%2Fh3H%2C1-2H2, 0.0, 0.925542712211609, 3.13166832923889, 330.240905761719, 161.253494262695, 0.671911835670471, 0.328088164329529, -168.987411499023, -398.104034423828, 194.390426635742, -0.809986889362335, 0.395508915185928, 592.494445800781, -37.8909225463867, 20.1470813751221, 36.5953407287598, -0.0770932883024216, 0.0409914739429951, 58.0380020141602, 162.311569213867, 454.899078369141, -195.665908813477, -18.623176574707, 0.167047291994095, 19.131965637207, 11.0220346450806, 79.2551956176758, 0.0, 0.0744572877883911, 3.12555742263794, 0.143301486968994, 95.5418090820312, 9.90217781066895
-InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3, 0.0, 1.0, 2.75489544868469, 91.1696395874023, 238.940246582031, 0.276179671287537, 0.723820328712463, 147.770599365234, -40.2343215942383, 105.447364807129, -0.121881596744061, 0.319431096315384, 145.681686401367, -5.45371675491333, 10.560583114624, 0.0, -0.0165209136903286, 0.0319911129772663, 16.0142993927002, 30.0959987640381, 330.109893798828, -13.2817468643188, -1.80032575130463, 0.139904662966728, 20.7479305267334, 10.9320697784424, 78.8765335083008, 0.0, 0.0, 4.71219968795776, 0.140554934740067, 34.8092155456543, 3.48615288734436
-InChI%3D1S%2FC18H14N4O7S.Na%2Fc23-21%2824%2914-7-9-15%2817%2811-14%2922%2825%2926%2920-13-6-8-16%2818%2810-13%2930%2827%2C28%2929%2919-12-4-2-1-3-5-12%3B%2Fh1-11%2C19-20H%2C%28H%2C27%2C28%2C29%29%3B%2Fq%3B%2B1%2Fp-1, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 76.8623123168945, 25.4776916503906, , 5.0, , , , , 
-InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh1%2C3H2%2C2H3, 0.0, 1.0, 11.8033447265625, 112.686080932617, 240.033096313477, 0.319478183984756, 0.680521786212921, 127.347007751465, -41.5961608886719, 88.6041564941406, -0.117929965257645, 0.251203119754791, 130.200317382812, -15.4302158355713, 11.7694492340088, 0.0, -0.0437464639544487, 0.0333677604794502, 27.1996650695801, 39.7465400695801, 352.719177246094, -14.671763420105, -5.44253301620483, 0.456997215747833, 13.8875513076782, 8.07244873046875, 84.6642761230469, 0.0, 0.0, 32.5118865966797, 0.188508883118629, 31.252384185791, 4.15131044387817
-InChI%3D1S%2FC2H5NO2%2Fc1-5-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, 2.0, 0.42765873670578, 12.9468183517456, 119.820182800293, 189.752716064453, 0.387049973011017, 0.612950026988983, 69.9325408935547, -107.294166564941, 169.915954589844, -0.346587717533112, 0.548872172832489, 277.210113525391, -34.6319618225098, 27.617259979248, 177.181335449219, -0.111870139837265, 0.0892108455300331, 62.2492218017578, 37.0930824279785, 132.391555786133, -33.2153663635254, -10.7211170196533, 0.363919317722321, 9.55796527862549, 7.38203477859497, 58.7422981262207, 3.0, 0.57234126329422, 13.2555675506592, 0.307224780321121, 52.601375579834, 8.5495548248291
-InChI%3D1S%2FC15H32N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-14-15-17%282%2916-18%2Fh3-15H2%2C1-2H3, 0.0, 1.0, 0.916248857975006, 72.1345062255859, 561.218933105469, 0.11389297991991, 0.88610702753067, 489.084411621094, -71.1587982177734, 553.627746582031, -0.112352430820465, 0.874121308326721, 624.786499023438, -7.94931602478027, 16.0773258209229, 0.0, -0.0125511540099978, 0.0253844447433949, 24.0266418457031, 45.686637878418, 633.353454589844, -45.0686683654785, -5.03472661972046, 0.168252915143967, 50.7393760681152, 36.6006240844727, 355.449920654297, 1.0, 0.0, 1.03569054603577, 0.0455642491579056, 350.642028808594, 10.1826295852661
-InChI%3D1S%2FC13H16N4O6.ClH%2Fc18-13-16%2814-7-10-1-2-12%2822-10%2917%2819%2920%299-11%2823-13%298-15-3-5-21-6-4-15%3B%2Fh1-2%2C7%2C11H%2C3-6%2C8-9H2%3B1H%2Fb14-7-%3B%2Ft11-%3B%2Fm0.%2Fs1, 0.0, , , , , , , , , , , , , , , , , , , , , , , , 45.607479095459, 30.9265193939209, , 6.0, , , , , 
-InChI%3D1S%2FC17H22N2O.C4H6O4%2Fc1-17%2820-14-13-19%282%293%2C15-9-5-4-6-10-15%2916-11-7-8-12-18-16%3B5-3%286%291-2-4%287%298%2Fh4-12H%2C13-14H2%2C1-3H3%3B1-2H2%2C%28H%2C5%2C6%29%28H%2C7%2C8%29, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 61.840202331543, 37.7417945861816, , 7.0, , , , , 
-InChI%3D1S%2FC3H5N3O%2Fc1-2-6%283-4%295-7%2Fh2H2%2C1H3, 0.0, 0.761002063751221, 6.66698837280273, 125.284408569336, 187.179168701172, 0.400956839323044, 0.599043130874634, 61.8947601318359, -59.8115615844727, 89.3605041503906, -0.191419303417206, 0.285986959934235, 149.172073364258, -22.0052433013916, 9.36887645721436, 74.6781463623047, -0.0704249888658524, 0.0299839004874229, 31.3741207122803, 39.1468124389648, 237.785430908203, -18.6889343261719, -6.87583684921265, 0.504935622215271, 12.7159652709961, 7.74403476715088, 58.4866714477539, 2.0, 0.238997921347618, 30.7841739654541, 0.486229360103607, 27.9219036102295, 2.92743277549744
-InChI%3D1S%2FC5H11N3O2%2Fc1-2-3-4-8%287-10%295%286%299%2Fh2-4H2%2C1H3%2C%28H2%2C6%2C9%29, 2.0, 0.76537024974823, 1.52519094944, 107.559646606445, 244.953643798828, 0.305122256278992, 0.694877743721008, 137.393997192383, -105.590591430664, 240.469360351562, -0.299536466598511, 0.6821568608284, 346.059967041016, -22.6430702209473, 16.0347061157227, 82.7101058959961, -0.064233236014843, 0.0454868115484715, 38.6777763366699, 37.9162063598633, 269.803192138672, -37.2220878601074, -7.98198318481445, 0.340709775686264, 21.0387229919434, 13.6432771682739, 86.3494186401367, 3.0, 0.234629765152931, 9.80976104736328, 0.237734392285347, 84.7686462402344, 5.65244722366333
-InChI%3D1S%2FC15H13NO%2Fc1-10%2817%2916-13-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9H%2C8H2%2C1H3%2C%28H%2C16%2C17%29, 1.0, 0.833914697170258, 8.01923561096191, 221.850311279297, 350.887878417969, 0.387350291013718, 0.61264967918396, 129.037582397461, -228.63703918457, 361.6220703125, -0.399199932813644, 0.631391584873199, 590.259094238281, -25.9460582733154, 25.2892417907715, 95.1233978271484, -0.0453017763793468, 0.044154979288578, 51.2353019714355, 127.062141418457, 477.614807128906, -130.949172973633, -14.8602981567383, 0.337852209806442, 36.9703102111816, 15.5316905975342, 200.966888427734, 2.0, 0.166085302829742, 12.200249671936, 0.21260978281498, 207.114776611328, 14.4841146469116
-InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3, 1.0, 0.764596283435822, 5.80836486816406, 152.553405761719, 240.056854248047, 0.388561934232712, 0.611438035964966, 87.5034484863281, -184.474853515625, 290.288208007812, -0.469867646694183, 0.739380061626434, 474.763031005859, -29.1449851989746, 17.8888244628906, 92.4219055175781, -0.0742338895797729, 0.0455638207495213, 47.0338096618652, 59.8940277099609, 300.188354492188, -72.4267196655273, -11.4426202774048, 0.324988603591919, 25.6507225036621, 19.4472770690918, 94.248779296875, 3.0, 0.235403701663017, 11.9578561782837, 0.173536017537117, 113.970123291016, 7.02333545684814
-InChI%3D1S%2FC9H11N3O2%2Fc13-10-12-6-2-4-9%2812%298-3-1-5-11%2814%297-8%2Fh1%2C3%2C5%2C7%2C9H%2C2%2C4%2C6H2, 0.0, 1.0, 1.50130188465118, 137.761032104492, 303.168395996094, 0.312433272600174, 0.687566697597504, 165.407379150391, -112.953033447266, 248.573867797852, -0.256170332431793, 0.563749730587006, 361.526885986328, -16.358959197998, 13.5738592147827, 0.0, -0.0371010825037956, 0.0307846516370773, 29.9328193664551, 60.7428932189941, 440.929443359375, -49.8043174743652, -7.21314716339111, 0.208086460828781, 28.7455158233643, 16.3544845581055, 133.675872802734, 1.0, 0.0, 9.70689678192139, 0.10408665984869, 109.603530883789, 5.98511409759521
-InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29, 2.0, 0.933413743972778, 4.0493745803833, 46.3731460571289, 263.250854492188, 0.149772450327873, 0.850227534770966, 216.877716064453, -29.561653137207, 167.815460205078, -0.095475971698761, 0.54199755191803, 197.377105712891, -7.13251256942749, 13.5757150650024, 20.6167011260986, -0.0230360459536314, 0.0438458062708378, 20.7082271575928, 14.3582401275635, 289.00732421875, -9.15299797058105, -2.20839715003967, 0.471505552530289, 15.9079303741455, 12.2520704269409, 81.5087890625, 2.0, 0.0665862485766411, 4.90210580825806, 0.193905726075172, 51.9596939086914, 4.20336723327637
-InChI%3D1S%2FC32H24N6O16S4.2Cu.4Na%2Fc33-19-11-17%2855%2843%2C44%2945%295-15-9-25%2857%2849%2C50%2951%2929%2831%2841%2927%2815%2919%2937-35-21-3-1-13%287-23%2821%2939%2914-2-4-22%2824%2840%298-14%2936-38-30-26%2858%2852%2C53%2954%2910-16-6-18%2856%2846%2C47%2948%2912-20%2834%2928%2816%2932%2830%2942%3B%3B%3B%3B%3B%3B%2Fh1-12%2C39-42H%2C33-34H2%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29%3B%3B%3B%3B%3B%3B%2Fq%3B2%2A%2B2%3B4%2A%2B1%2Fp-8%2Fb37-35-%2C38-36-%3B%3B%3B%3B%3B%3B, 2.0, , , , , , , , , , , , , , , , , , , , , , , , 204.620681762695, 52.3793106079102, , 18.0, , , , , 
-InChI%3D1S%2FC6H6N2O2%2Fc9-7-5-1-2-6%288-10%294-3-5%2Fh1-4%2C9-10H, 2.0, 0.617235660552979, 11.9197816848755, 168.724975585938, 175.307083129883, 0.490433871746063, 0.509566128253937, 6.58211135864258, -157.549179077148, 163.6953125, -0.457949101924896, 0.4758141040802, 321.244506835938, -24.6412982940674, 25.2575607299805, 131.683212280273, -0.0716250017285347, 0.0734163001179695, 49.8988609313965, 58.046802520752, 212.348861694336, -54.2019691467285, -8.47739696502686, 0.285035163164139, 18.3647575378418, 6.559241771698, 60.3112602233887, 0.0, 0.382764339447021, 8.15806484222412, 0.265036433935165, 56.3164367675781, 8.68941116333008
-InChI%3D1S%2FC6H12ClN3O3%2Fc1-4%2811%293-8-6%2812%2910%289-13%295%282%297%2Fh4-5%2C11H%2C3H2%2C1-2H3%2C%28H%2C8%2C12%29, 2.0, 0.739462494850159, 0.616231441497803, 167.479690551758, 235.58967590332, 0.41551086306572, 0.584489166736603, 68.109977722168, -232.137130737305, 326.541717529297, -0.575923502445221, 0.810137808322906, 558.678833007812, -34.9417762756348, 17.094747543335, 105.014686584473, -0.0866892337799072, 0.0424114279448986, 52.0365219116211, 67.5059356689453, 298.0546875, -93.5673675537109, -14.0839586257935, 0.2820063829422, 26.4475154876709, 16.4764842987061, 94.9589767456055, 4.0, 0.260537505149841, 8.78615570068359, 0.171884596347809, 131.61897277832, 6.89036893844604
-InChI%3D1S%2FC8H12N4O5%2Fc9-7-10-2-12%288%2816%2911-7%296-5%2815%294%2814%293%281-13%2917-6%2Fh2-6%2C13-15H%2C1H2%2C%28H2%2C9%2C11%2C16%29%2Ft3%3F%2C4-%2C5-%2C6%3F%2Fm1%2Fs1, 7.0, 0.482332438230515, 2.35219216346741, 155.866638183594, 323.214904785156, 0.32534471154213, 0.674655318260193, 167.348266601562, -445.692657470703, 924.216430664062, -0.930306434631348, 1.92914211750031, 1369.90905761719, -52.7517051696777, 44.5946998596191, 248.004974365234, -0.110110074281693, 0.0930837392807007, 97.3464050292969, 74.6728286743164, 231.076568603516, -213.523132324219, -25.2723693847656, 0.137538269162178, 33.1586875915527, 22.707311630249, 154.846298217773, 9.0, 0.517667531967163, 3.04345750808716, 0.0746685117483139, 442.775024414062, 21.3644981384277
-InChI%3D1S%2FC11H10N4%2Fc1-15-9-5-4-8-7%283-2-6-13-8%2910%289%2914-11%2815%2912%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29, 2.0, 0.844031870365143, 3.65136742591858, 145.08381652832, 294.149230957031, 0.330311715602875, 0.669688284397125, 149.065399169922, -167.326416015625, 339.244812011719, -0.380951344966888, 0.772357225418091, 506.571228027344, -20.1471633911133, 20.8875942230225, 68.5063552856445, -0.0458689630031586, 0.0475546978414059, 41.0347595214844, 63.7256088256836, 370.726684570312, -73.4952850341797, -8.84930038452148, 0.241165667772293, 30.4279308319092, 14.8920698165894, 129.200057983398, 4.0, 0.155968129634857, 7.68535423278809, 0.164234414696693, 149.007522583008, 9.17452144622803
-InChI%3D1S%2FC5H10N2O3%2Fc1-7%286-10%294-2-3-5%288%299%2Fh2-4H2%2C1H3%2C%28H%2C8%2C9%29, 1.0, 0.69262158870697, 8.60402488708496, 115.813034057617, 240.161773681641, 0.325340539216995, 0.674659430980682, 124.348731994629, -106.853996276855, 221.583389282227, -0.300172924995422, 0.622469305992126, 328.437377929688, -27.2117004394531, 16.0781669616699, 109.418960571289, -0.0764427706599236, 0.045166589319706, 43.289867401123, 41.2265243530273, 246.555847167969, -38.0373306274414, -9.68667984008789, 0.359317004680634, 20.0739307403564, 13.5080699920654, 85.4915390014648, 3.0, 0.307378381490707, 10.8264503479004, 0.280604749917984, 78.8780975341797, 5.72342252731323
-InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3, 0.0, 1.0, 2.09454011917114, 70.7594680786133, 273.428527832031, 0.205583781003952, 0.79441624879837, 202.669052124023, -30.8642158508301, 119.265411376953, -0.0896725505590439, 0.346512407064438, 150.129623413086, -3.54396629333496, 9.57419967651367, 0.0, -0.0102966008707881, 0.0278167743235826, 13.1181659698486, 24.3545570373535, 344.18798828125, -10.6230916976929, -1.21979057788849, 0.134284555912018, 23.841516494751, 13.118483543396, 94.1108093261719, 0.0, 0.0, 1.56253528594971, 0.142807096242905, 41.0497207641602, 3.29532432556152
-InChI%3D1S%2FC5H8O2%2Fc1-5%282%293-7-4%285%296%2Fh3H2%2C1-2H3, 0.0, 0.629137694835663, 13.8800716400146, 93.5151748657227, 219.441558837891, 0.298811823129654, 0.701188147068024, 125.926383972168, -63.2062606811523, 148.319030761719, -0.201964855194092, 0.473928242921829, 211.525299072266, -23.6827697753906, 15.5336437225342, 116.063858032227, -0.0756742656230927, 0.0496351160109043, 39.2164154052734, 29.2662029266357, 196.892868041992, -19.7808246612549, -7.41168260574341, 0.464630216360092, 15.7383441925049, 11.6196556091309, 68.6757125854492, 2.0, 0.370862305164337, 14.7141408920288, 0.398696184158325, 46.4174385070801, 4.86135864257812
-InChI%3D1S%2FC8H11N.ClH%2Fc1-6-3-4-7%282%298%289%295-6%3B%2Fh3-5H%2C9H2%2C1-2H3%3B1H, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 25.3615169525146, 12.8784837722778, , 1.0, , , , , 
-InChI%3D1S%2FC62H86N12O16%2Fc1-27%282%2942-59%2884%2973-23-17-19-36%2873%2957%2882%2969%2813%2925-38%2875%2971%2815%2948%2829%285%296%2961%2886%2988-33%2811%2944%2855%2880%2965-42%2967-53%2878%2935-22-21-31%289%2951-46%2835%2964-47-40%2841%2863%2950%2877%2932%2810%2952%2847%2990-51%2954%2879%2968-45-34%2812%2989-62%2887%2949%2830%287%298%2972%2816%2939%2876%2926-70%2814%2958%2883%2937-20-18-24-74%2837%2960%2885%2943%2828%283%294%2966-56%2845%2981%2Fh21-22%2C27-30%2C33-34%2C36-37%2C42-45%2C48-49H%2C17-20%2C23-26%2C63H2%2C1-16H3%2C%28H%2C65%2C80%29%28H%2C66%2C81%29%28H%2C67%2C78%29%28H%2C68%2C79%29%2Ft33-%2C34-%2C36-%2C37-%2C42%2B%2C43%2B%2C44%3F%2C45%3F%2C48-%2C49-%2Fm0%2Fs1, 6.0, , , , , , , , , , , , , , , , , , , , , , , , 196.496963500977, 132.105041503906, , 27.0, , , , , 
-InChI%3D1S%2FC9H13N.ClH%2Fc1-6-4-7%282%299%2810%298%283%295-6%3B%2Fh4-5H%2C10H2%2C1-3H3%3B1H, 1.0, , , , , , , , , , , , , , , , , , , , , , , , 28.4551029205322, 15.0648975372314, , 1.0, , , , , 
-InChI%3D1S%2FC6H4N4O4%2Fc7-6-9-8-5%2814-6%293-1-2-4%2813-3%2910%2811%2912%2Fh1-2H%2C%28H2%2C7%2C9%29, 3.0, , , , , , , , , , , , , , , , , , , , , , , , 22.168758392334, 11.6472415924072, , 4.0, , , , , 
\ No newline at end of file
diff --git a/5x_cv/RAT_geometrical.csv b/5x_cv/RAT_geometrical.csv
deleted file mode 100644
index 1a536f1..0000000
--- a/5x_cv/RAT_geometrical.csv
+++ /dev/null
@@ -1 +0,0 @@
-SMILES,MOMI-YZ,MOMI-XY,GRAVH-3,GRAV-1,MOMI-XZ,GRAV-2,GRAV-3,GRAV-4,GRAV-5,MOMI-X,GRAV-6,LOBMAX,MOMI-Y,MOMI-Z,LOBMIN,MOMI-R,GRAVH-1,GRAVH-2
diff --git a/5x_cv/RAT_hybrid.csv b/5x_cv/RAT_hybrid.csv
deleted file mode 100644
index f3347af..0000000
--- a/5x_cv/RAT_hybrid.csv
+++ /dev/null
@@ -1,13 +0,0 @@
-SMILES,BCUTc-1l,BCUTw-1h,WV.unity,Wnu1.unity,Weta1.unity,WA.unity,WD.unity,WK.unity,Wlambda2.unity,BCUTw-1l,Wlambda3.unity,BCUTp-1h,Weta3.unity,Wgamma3.unity,Wgamma1.unity,Weta2.unity,Wgamma2.unity,BCUTc-1h,WG.unity,BCUTp-1l,Wlambda1.unity,WT.unity,Wnu2.unity
-InChI%3D1S%2FC17H12O6%2Fc1-20-10-6-11-14%288-4-5-21-17%288%2922-11%2915-13%2810%297-2-3-9%2818%2912%287%2916%2819%2923-15%2Fh4-6%2C8%2C17H%2C2-3H2%2C1H3, -0.373798042535782, 15.9999399185181, , , , , , , , 11.8500003814697, , 11.1117944717407, , , , , , 0.272829115390778, , 4.87101793289185, , , 
-InChI%3D1S%2FC6H14N2O%2Fc1-5%282%297-8%289%296%283%294%2Fh5-6H%2C1-4H3, -0.173078298568726, 15.9949169158936, , , , , , , , 11.8900003433228, , 7.3374810218811, , , , , , 0.149176046252251, , 4.27149534225464, , , 
-InChI%3D1S%2FC15H18N4O5%2Fc1-5-9%2816%2912%2821%298-6%284-24-14%2817%2922%2915%2823-2%2913-7%2818-13%293-19%2815%2910%288%2911%285%2920%2Fh6-7%2C13%2C18H%2C3-4%2C16H2%2C1-2H3%2C%28H2%2C17%2C22%29%2Ft6-%2C7%2B%2C13%3F%2C15%3F%2Fm1%2Fs1, -0.360640078783035, 16.0000076293945, , , , , , , , 11.9961862564087, , 12.0779237747192, , , , , , 0.29502061009407, , 4.42415523529053, , , 
-InChI%3D1S%2FC12H13N3O2%2Fc16-9-7-8%2813-1-2-13%2912%2817%2911%2815-5-6-15%2910%289%2914-3-4-14%2Fh7H%2C1-6H2, -0.299131214618683, 15.9959239959717, , , , , , , , 11.994384765625, , 10.7106351852417, , , , , , 0.216415479779243, , 5.47773885726929, , , 
-InChI%3D1S%2FC12H4Cl4O2%2Fc13-5-1-9-10%282-6%285%2914%2918-12-4-8%2816%297%2815%293-11%2812%2917-9%2Fh1-4H, -0.355713248252869, 34.9720077514648, , , , , , , , 11.9985237121582, , 9.7629337310791, , , , , , 0.168600007891655, , 6.6611008644104, , , 
-InChI%3D1S%2FC5H11Cl2N%2Fc1-8%284-2-6%295-3-7%2Fh2-5H2%2C1H3, -0.302606374025345, 34.9701538085938, , , , , , , , 11.9985771179199, , 8.25900745391846, , , , , , 0.105477936565876, , 5.33647203445435, , , 
-InChI%3D1S%2FC17H14O6%2Fc1-20-10-6-11-14%288-4-5-21-17%288%2922-11%2915-13%2810%297-2-3-9%2818%2912%287%2916%2819%2923-15%2Fh4-6%2C8-9%2C17-18H%2C2-3H2%2C1H3%2Ft8-%2C9%2B%2C17%3F%2Fm0%2Fs1, -0.391777664422989, 15.9999399185181, , , , , , , , 11.8500003814697, , 11.1296720504761, , , , , , 0.268280506134033, , 4.98340892791748, , , 
-InChI%3D1S%2FC6H14N2O%2Fc1-3-5-7-8%289%296-4-2%2Fh3-6H2%2C1-2H3, -0.176133304834366, 15.9949169158936, , , , , , , , 11.8900003433228, , 6.62318468093872, , , , , , 0.0796229243278503, , 4.0357141494751, , , 
-InChI%3D1S%2FC9H12N2O%2Fc1-11%2810-12%298-7-9-5-3-2-4-6-9%2Fh2-6H%2C7-8H2%2C1H3, -0.171566173434258, 15.9949178695679, , , , , , , , 11.8500003814697, , 8.68672561645508, , , , , , 0.12883323431015, , 3.21169590950012, , , 
-InChI%3D1S%2FC12H2Cl6O2%2Fc13-3-1-5-11%289%2817%297%283%2915%2920-12-6%2819-5%292-4%2814%298%2816%2910%2812%2918%2Fh1-2H, -0.354803889989853, 34.9739608764648, , , , , , , , 11.9985237121582, , 10.9507274627686, , , , , , 0.192002266645432, , 6.92423057556152, , , 
-InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2, -0.337501972913742, 34.9701538085938, , , , , , , , 11.998706817627, , 6.16513395309448, , , , , , 0.186238631606102, , 4.77278184890747, , , 
-InChI%3D1S%2FC62H86N12O16%2Fc1-27%282%2942-59%2884%2973-23-17-19-36%2873%2957%2882%2969%2813%2925-38%2875%2971%2815%2948%2829%285%296%2961%2886%2988-33%2811%2944%2855%2880%2965-42%2967-53%2878%2935-22-21-31%289%2951-46%2835%2964-47-40%2841%2863%2950%2877%2932%2810%2952%2847%2990-51%2954%2879%2968-45-34%2812%2989-62%2887%2949%2830%287%298%2972%2816%2939%2876%2926-70%2814%2958%2883%2937-20-18-24-74%2837%2960%2885%2943%2828%283%294%2966-56%2845%2981%2Fh21-22%2C27-30%2C33-34%2C36-37%2C42-45%2C48-49H%2C17-20%2C23-26%2C63H2%2C1-16H3%2C%28H%2C65%2C80%29%28H%2C66%2C81%29%28H%2C67%2C78%29%28H%2C68%2C79%29%2Ft33-%2C34-%2C36-%2C37-%2C42%2B%2C43%2B%2C44%3F%2C45%3F%2C48-%2C49-%2Fm0%2Fs1, -0.371609270572662, 16.010555267334, , , , , , , , 11.9960718154907, , 12.0862922668457, , , , , , 0.281885534524918, , 5.48221683502197, , , 
\ No newline at end of file
diff --git a/5x_cv/RAT_topological.csv b/5x_cv/RAT_topological.csv
deleted file mode 100644
index 8e7ee7c..0000000
--- a/5x_cv/RAT_topological.csv
+++ /dev/null
@@ -1,563 +0,0 @@
-SMILES,khs.sssPbH,SPC-4,SP-6,ATSc3,khs.ssCH2,khs.ssO,khs.sCl,SPC-5,SP-7,ATSc4,khs.ssPbH2,khs.sssP,SPC-6,ATSc5,khs.sI,khs.sLi,topoShape,khs.dS,khs.sssSiH,khs.aaS,Zagreb,ECCEN,VPC-4,khs.ssGeH2,MDEO-11,khs.ddssS,SCH-3,VPC-5,VCH-3,MDEO-12,khs.ssS,Kier1,SCH-4,khs.sssssP,VPC-6,MDEN-33,Kier2,SCH-5,C4SP3,khs.dsssP,VCH-4,Kier3,SCH-6,VCH-5,khs.sOH,khs.tsC,SCH-7,VP-0,VCH-6,VP-1,VCH-7,TPSA,MDEC-33,VC-3,khs.sNH2,VP-2,khs.ddC,MDEC-34,khs.dSe,VC-4,khs.ssssGe,khs.sNH3,VP-3,khs.aaaC,VC-5,khs.sSnH3,VP-4,khs.sCH3,VC-6,khs.sPH2,VP-5,khs.sssAs,khs.aaSe,khs.ssssPb,khs.dCH2,VP-6,khs.sssGeH,TopoPSA,MDEN-11,VP-7,khs.ssSe,MDEN-12,C3SP2,khs.ssBe,khs.sssdAs,MDEN-13,ATSm1,C3SP3,khs.sAsH2,ATSm2,MDEO-22,khs.ssSnH2,WPATH,MDEC-11,ATSp1,khs.dssC,khs.ssssB,ATSm3,MDEC-12,ATSp2,khs.ssssC,khs.tCH,ATSm4,khs.ssssBe,khs.tN,khs.ssPH,khs.dssSe,MDEC-13,ATSp3,ATSm5,VAdjMat,WPOL,ATSp4,khs.sSH,fragC,MDEC-14,ATSp5,khs.aasC,khs.ssssSi,khs.sSiH3,khs.ssBH,khs.ssAsH,MDEC-44,khs.sssB,khs.sPbH3,C1SP1,khs.ddsN,khs.sssNH,C1SP2,khs.dNH,khs.ddssSe,geomShape,C1SP3,C2SP1,khs.ssssSn,khs.sSeH,MDEN-22,C2SP2,khs.aaNH,MDEN-23,C2SP3,khs.ssSiH2,SP-0,khs.sBr,khs.sssSnH,PetitjeanNumber,SP-1,khs.dsCH,khs.ssNH,khs.ssssN,SC-3,khs.dsN,SP-2,khs.sssCH,SC-4,MDEC-22,khs.sssssAs,SP-3,SC-5,MDEC-23,khs.aaN,khs.sGeH3,SP-4,khs.aaCH,khs.aasN,ATSc1,SC-6,MDEC-24,khs.aaO,khs.dO,ATSc2,khs.sssN,SP-5,khs.dssS,khs.sF,khs.ssNH2
-InChI%3D1S%2FC8H5N3O4S%2Fc12-4-9-8-10-5%283-16-8%296-1-2-7%2815-6%2911%2813%2914%2Fh1-4H%2C%28H%2C9%2C10%2C12%29, 0.0, 2.32489705085754 2.32489705085754, 2.17042803764343, 0.0941291823983192, 0.0, 0.0, 0.0, 3.07844924926758 3.07844924926758, 1.28603947162628, 0.015651723369956, 0.0, 0.0, 3.4332103729248 3.4332103729248, -0.0442486554384232, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 80.0, 251.0, 0.638012588024139 0.638012588024139, 0.0, 0.512992799282074, 0.0, 0.0, 0.831232190132141 0.831232190132141, 0.0, 0.75394743680954, 0.0, 12.4567470550537, 0.0, 0.0, 0.710414528846741 0.710414528846741, 0.0, 5.55765581130981, 0.235702261328697, 0.0, 0.0, 0.0, 3.02972650527954, 0.287457466125488, 0.113077633082867, 1.0, 0.0, 0.474854648113251, 8.54774475097656, 0.107108667492867, 4.95305967330933, 0.114507332444191, , 2.52506470680237, 0.335922211408615, 0.0, 3.49143624305725, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.43306875228882, 0.0, 0.0239986199885607, 0.0, 1.69454097747803, 0.0, 0.0, 0.0, 0.873986423015594, 0.0, 0.0, 0.0, 0.0, 0.527350664138794, 0.0, 132.679992675781, 0.0, 0.27908980846405, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.3055934906006, 0.0, 0.0, 23.2737045288086, 0.0, 0.0, 473.0, 0.0, 883.160827636719, 0.0, 0.0, 33.297119140625, 0.0, 1021.52349853516, 0.0, 0.0, 26.7674541473389, 0.0, 0.0, 0.0, 0.0, 0.0, 1378.6884765625, 27.6612510681152, 5.0, 19.0, 1044.98400878906, 0.0, 244.080001831055, 0.0, 950.627868652344, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.338061690330505, 4.0, 0.0, 11.5436058044434, 0.0, 0.0, 0.5, 7.70270872116089, 1.0, 0.0, 0.0, 1.03745746612549, 1.0, 6.80506134033203, 0.0, 0.0, 1.68811810016632, 0.0, 5.40193462371826, 0.25, 6.43187379837036, 1.0, 0.0, 4.29859685897827, 3.0, 0.0, 0.50411731004715, 0.0, 0.0, 1.0, 2.0, -0.326386094093323, 0.0, 2.8039402961731, 0.0, 0.0, 0.0
-InChI%3D1S%2FC17H21N3.ClH%2Fc1-19%282%2915-9-5-13%286-10-15%2917%2818%2914-7-11-16%2812-8-14%2920%283%294%3B%2Fh5-12%2C18H%2C1-4H3%3B1H, 0.0, 3.62239933013916 3.62239933013916, 2.66021800041199, 0.0145726408809423, 0.0, 0.0, 0.0, 4.27267599105835 4.27267599105835, 2.01539397239685, 0.00919590424746275, 0.0, 0.0, 4.8503532409668 4.8503532409668, -0.0166862476617098, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 100.0, -949673024.0, 1.4901270866394 1.4901270866394, 0.0, 0.0, 0.0, 0.0, 1.38528668880463 1.38528668880463, 0.0, 0.0, 0.0, 19.0476188659668, 0.0, 0.0, 1.30079197883606 1.30079197883606, 0.100000001490116, 8.58501815795898, 0.0, 0.0, 0.0, 0.0, 5.0, 0.16666667163372, 0.0, 0.0, 0.0, 0.19245009124279, 13.7379741668701, 0.0555555559694767, 6.62880229949951, 0.0526229776442051, , 3.34162521362305, 0.8254514336586, 0.0, 5.25760221481323, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.34475517272949, 0.0, 0.19073785841465, 0.0, 2.01914501190186, 4.0, 0.0, 0.0, 1.24741947650909, 0.0, 0.0, 0.0, 0.0, 0.748991012573242, 0.0, 30.3299999237061, 0.0, 0.458151817321777, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 29.7927169799805, 2.0, 0.0, 22.1632976531982, 0.0, 0.0, 20000000000.0, 0.908560276031494, 1356.64416503906, 1.0, 0.0, 29.9971122741699, 5.90230369567871, 1531.79089355469, 0.0, 0.0, 31.3294811248779, 0.0, 0.0, 0.0, 0.0, 3.77033662796021, 2054.35205078125, 24.9971122741699, 5.39231729507446, 30.0, 2036.25830078125, 0.0, 1429.0400390625, 0.0, 1593.89318847656, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 10.0, 0.0, 14.6983060836792, 0.0, 0.0, 0.999000012874603, 9.48607063293457, 0.0, 0.0, 0.0, 1.52578341960907, 0.0, 8.69686985015869, 0.0, 0.0, 8.69190216064453, 0.0, 7.00575113296509, 0.52578341960907, 15.6241292953491, 0.0, 0.0, 5.05976009368896, 8.0, 0.0, 0.218730136752129, 0.0, 0.0, 0.0, 0.0, -0.12785704433918, 2.0, 3.68780708312988, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H5ClO%2Fc1-4-2-3%2Fh2H2%2C1H3, 0.0, 0.0 0.0, 0.0, 0.0894276946783066, 1.0, 1.0, 1.0, 0.0 0.0, 0.0, -0.0217280369251966, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 10.0, 14.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.24924850463867, 0.0, 1.49870717525482, 0.0, , 0.0, 0.0, 0.0, 0.616001963615417, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.327326834201813, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.22999954223633, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.4872226715088, 0.0, 0.0, 5.61592149734497, 0.0, 0.0, 10.0, 0.0, 94.6600875854492, 0.0, 0.0, 4.93198585510254, 0.5, 74.3696670532227, 0.0, 0.0, 2.95173740386963, 0.0, 0.0, 0.0, 0.0, 0.0, 46.1764297485352, 0.0, 3.0, 1.0, 19.0570583343506, 0.0, 52.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.41421365737915, 0.0, 0.0, 0.333333343267441, 1.91421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.231503203511238, 0.0, 0.0, 0.0, 0.0, -0.183451265096664, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC18H25NO7%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2925-9-13-4-6-19%2824%297-5-14%2815%2813%2919%2926-16%2812%2921%2Fh3-4%2C11%2C14-15%2C20%2C23H%2C5-10H2%2C1-2H3%2Ft11-%2C14%3F%2C15-%2C18-%2C19%3F%2Fm1%2Fs1, 0.0, 7.20385980606079 7.20385980606079, 4.1104941368103, -0.050428744405508, 6.0, 2.0, 0.0, 11.11021900177 11.11021900177, 3.1780207157135, -0.00929171871393919, 0.0, 0.0, 12.7608585357666 12.7608585357666, 0.0454824157059193, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 142.0, 417.0, 3.07863640785217 3.07863640785217, 0.0, 1.77613854408264, 0.0, 0.0, 4.12084150314331 4.12084150314331, 0.0, 2.34654211997986, 0.0, 20.7270412445068, 0.0, 0.0, 4.18836498260498 4.18836498260498, 0.0, 7.78799343109131, 0.16666667163372, 0.0, 0.0, 0.0, 3.6800000667572, 0.498593986034393, 0.127240225672722, 2.0, 0.0, 0.846446871757507, 15.0122747421265, 0.277311682701111, 8.88207626342773, 0.393492609262466, , 7.17539262771606, 1.38454484939575, 0.0, 7.39244318008423, 0.0, 2.47687101364136, 0.0, 0.0983481705188751, 0.0, 0.0, 5.86852264404297, 0.0, 0.372563749551773, 0.0, 4.0781135559082, 2.0, 0.0550966337323189, 0.0, 2.52015900611877, 0.0, 0.0, 0.0, 0.0, 1.52538549900055, 0.0, 110.129997253418, 0.0, 0.991134285926819, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 31.781270980835, 2.0, 0.0, 31.7087574005127, 0.200000002980232, 0.0, 1430.0, 0.200000002980232, 1815.18688964844, 4.0, 0.0, 49.8629684448242, 3.2093026638031, 2179.55126953125, 1.0, 0.0, 60.3490829467773, 0.0, 0.0, 0.0, 0.0, 3.49456715583801, 3222.60229492188, 57.0169906616211, 5.70043992996216, 50.0, 3377.220703125, 0.0, 2159.080078125, 0.63245552778244, 3171.91845703125, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 4.0, 0.0, 19.1125202178955, 0.0, 0.0, 0.333333343267441, 12.247184753418, 2.0, 0.0, 0.0, 2.73552751541138, 0.0, 11.6331567764282, 3.0, 0.262188702821732, 6.79064464569092, 0.0, 10.6367406845093, 1.089315533638, 17.0301761627197, 0.0, 0.0, 8.13015460968018, 0.0, 0.0, 0.901853799819946, 0.214779183268547, 2.16097092628479, 0.0, 3.0, -0.393336892127991, 0.0, 5.64428043365479, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12N2O3%2Fc1-2-3-8%287-11%294-6%2810%295-9%2Fh2%2C6%2C9-10H%2C1%2C3-5H2, , 0.921654641628265 0.921654641628265, 0.402368932962418, -0.0765813440084457, 3.0, 0.0, 0.0, 1.09341299533844 1.09341299533844, 0.0833333358168602, 0.0156038934364915, , 0.0, 1.17466759681702 1.17466759681702, 0.00143692304845899, , 0.0, 0.75, 0.0, 0.0, 0.0, 42.0, 105.0, 0.271764934062958 0.271764934062958, 0.0, 0.669432938098907, 0.0, 0.0, 0.280407935380936 0.280407935380936, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.20635224878788 0.20635224878788, 0.0, 6.69421482086182, 0.0, 0.0, 0.0, 0.0, 5.28925609588623, 0.0, 0.0, 2.0, 0.0, 0.0, 6.18023014068604, 0.0, 3.22244954109192, 0.0, , 0.0, 0.229099437594414, 0.0, 2.07832026481628, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.08756589889526, 0.0, 0.0, , 0.591231405735016, 0.0, 0.0, 0.0, 0.267434865236282, , , , 1.0, 0.0949491783976555, 0.0, 73.129997253418, 0.0, 0.0166666675359011, , 0.0, 0.0, 0.0, , 0.0, 14.0433835983276, 0.0, 0.0, 11.910008430481, 0.0, , 176.0, 0.0, 406.188507080078, 0.0, 0.0, 13.2144832611084, 1.51967132091522, 411.59375, 0.0, 0.0, 13.9889516830444, 0.0, 0.0, 0.0, , 0.200000002980232, 443.177154541016, 12.4355783462524, 4.45943164825439, 11.0, 398.604095458984, 0.0, 374.049987792969, 0.0, 326.5283203125, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 0.0, , , 3.0, 0.0, , , 0.0, 1.0, 0.0, 1.0, 1.0, 0.0, 8.69023418426514, , , 0.428571432828903, 5.23991203308105, 1.0, 0.0, 0.0, 0.492799282073975, 1.0, 3.8120710849762, 1.0, 0.0, 2.40685200691223, , 2.70689940452576, 0.0, 2.14913988113403, 0.0, 0.0, 1.63259243965149, 0.0, 0.0, 0.254033863544464, 0.0, 0.0, 0.0, 1.0, -0.064105212688446, 1.0, 1.04337978363037, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.00947097409516573, 0.0, 0.0, 1.0, 0.0 0.0, 0.0, -0.00710728205740452, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.327326834201813 0.327326834201813, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.21124362945557, 0.0, 1.94332885742188, 0.0, , 0.0, 0.288675129413605, 0.0, 1.40467715263367, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.654653668403625, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.7127532958984, 0.0, 0.0, 5.95173740386963, 0.0, 0.0, 18.0, 0.5, 202.214141845703, 1.0, 0.0, 5.95173740386963, 1.0, 177.264175415039, 0.0, 0.0, 5.90347480773926, 0.0, 0.0, 0.0, 0.0, 2.0, 156.362060546875, 0.0, 3.32192802429199, 2.0, 62.833869934082, 0.0, 101.01000213623, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 1.0, 0.0, 0.0, 0.40824830532074, 0.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0280767232179642, 0.0, 0.0, 0.0, 0.0, -0.0164020527154207, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FCH2O3.K%2Fc2-1%283%294%3B%2Fh%28H2%2C2%2C3%2C4%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 0.0 0.0, 0.0, 0.0885297060012817, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 12.0, 1705032704.0, 0.0 0.0, 0.0, 1.5, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 8.88888931274414, 0.0, 0.0, 0.0 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 1.0, 0.0, 0.0, 1.35546183586121, 0.0, 0.427730947732925, 0.0, , 0.0, 0.0, 0.0, 0.0912870913743973, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 60.3600006103516, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.9202518463135, 0.0, 0.0, 3.99627590179443, 0.0, 0.0, 4000000000.0, 0.0, 34.3731384277344, 1.0, 0.0, 5.32340717315674, 0.0, 27.9254589080811, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.9357509613037, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 4.03999996185303, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.999000012874603, 1.73205077648163, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.73205077648163, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.374831408262253, 0.0, 0.0, 0.0, 1.0, -0.275945425033569, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H10N2O%2Fc15-13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H, 0.0, 1.42053985595703 1.42053985595703, 1.574538230896, 0.0211962684988976, 0.0, 0.0, 0.0, 2.54259777069092 2.54259777069092, 1.08278274536133, -0.0140678444877267, 0.0, 0.0, 3.22885179519653 3.22885179519653, -0.00748595502227545, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 72.0, 194.0, 0.449217319488525 0.449217319488525, 0.0, 0.0, 0.0, 0.0, 0.605874180793762 0.605874180793762, 0.0, 0.0, 0.0, 11.484375, 0.0, 0.0, 0.635085582733154 0.635085582733154, 0.0, 5.91499996185303, 0.0, 0.0, 0.0, 0.0, 2.98224854469299, 0.20412415266037, 0.0, 0.0, 0.0, 0.117851130664349, 8.07617855072021, 0.0641500279307365, 4.6511549949646, 0.0286887660622597, , 0.5, 0.199071198701859, 0.0, 3.06455135345459, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.08317589759827, 0.0, 0.0333333350718021, 0.0, 1.38174486160278, 0.0, 0.0, 0.0, 0.873893022537231, 0.0, 0.0, 0.0, 0.0, 0.332010537385941, 0.0, 32.6699981689453, 0.0, 0.187248215079308, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.4944458007812, 0.0, 0.0, 17.2458248138428, 0.0, 0.0, 364.0, 0.0, 844.418395996094, 0.0, 0.0, 21.5505771636963, 0.0, 954.659423828125, 0.0, 0.0, 21.9936656951904, 0.0, 0.0, 0.0, 0.0, 0.0, 1222.12902832031, 20.3254795074463, 4.90689039230347, 20.0, 1162.16528320312, 0.0, 466.029998779297, 0.0, 921.910705566406, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 12.0, 0.0, 10.5102252960205, 0.0, 0.0, 0.5, 7.41501474380493, 0.0, 0.0, 0.0, 0.469416111707687, 1.0, 5.86828327178955, 0.0, 0.0, 13.9952611923218, 0.0, 4.98206186294556, 0.136082768440247, 8.07939052581787, 0.0, 0.0, 4.17620515823364, 10.0, 0.0, 0.0536609962582588, 0.0, 0.0, 0.0, 1.0, -0.025923378765583, 1.0, 3.17931270599365, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H6N4O5%2Fc13-6-4-11%288%2814%2910-6%299-3-5-1-2-7%2817-5%2912%2815%2916%2Fh1-3H%2C4H2%2C%28H%2C10%2C13%2C14%29%2Fb9-3%2B, 0.0, 2.72668361663818 2.72668361663818, 1.75651609897614, -0.0476022139191628, 1.0, 0.0, 0.0, 3.53570580482483 3.53570580482483, 1.01843369007111, 0.119356773793697, 0.0, 0.0, 3.72042369842529 3.72042369842529, 0.0525446124374866, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 86.0, 280.0, 0.511464953422546 0.511464953422546, 0.0, 0.946721136569977, 0.0, 0.0, 0.549318671226501 0.549318671226501, 0.0, 0.907166600227356, 0.0, 13.4320983886719, 0.0, 0.0, 0.385653704404831 0.385653704404831, 0.16666667163372, 5.76000022888184, 0.214076176285744, 0.0, 0.0, 0.0, 3.48444437980652, 0.411866188049316, 0.069376029074192, 1.0, 0.0, 0.523541152477264, 8.30821895599365, 0.0809129029512405, 4.42289352416992, 0.0591005310416222, , 1.55034387111664, 0.340259999036789, 0.0, 3.04593586921692, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.85359787940979, 0.0, 0.0216940492391586, 0.0, 1.13159239292145, 0.0, 0.0, 0.0, 0.524005591869354, 0.0, 0.0, 0.0, 0.0, 0.238036543130875, 0.0, 124.220001220703, 0.0, 0.114852920174599, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.3122978210449, 0.0, 0.0, 21.7924003601074, 0.0, 0.0, 580.0, 0.0, 708.919311523438, 2.0, 0.0, 31.5041694641113, 0.0, 812.459045410156, 0.0, 0.0, 26.0607109069824, 0.0, 0.0, 0.0, 0.0, 0.0, 1088.00964355469, 20.3727874755859, 5.08746290206909, 20.0, 810.793273925781, 0.0, 304.089996337891, 0.0, 655.753112792969, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.33748066425323, 3.0, 0.0, 12.4138488769531, 0.0, 0.0, 0.5, 8.05855083465576, 1.0, 0.0, 0.0, 1.39516818523407, 2.0, 7.57446479797363, 0.0, 0.0, 2.10257887840271, 0.0, 5.75431346893311, 0.284517794847488, 5.89347696304321, 0.0, 0.0, 4.50595331192017, 2.0, 0.0, 0.63248199224472, 0.0, 0.0, 1.0, 3.0, -0.331926554441452, 1.0, 2.8917977809906, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC4H9N3O3%2Fc5-4%289%297%286-10%292-1-3-8%2Fh8H%2C1-3H2%2C%28H2%2C5%2C9%29, , 1.08925569057465 1.08925569057465, 0.380039840936661, 0.0976844355463982, 3.0, 0.0, 0.0, 1.17258894443512 1.17258894443512, 0.0, -0.111065544188023, , 0.0, 0.735702276229858 0.735702276229858, 0.0899481326341629, , 0.0, 1.0, 0.0, 0.0, 0.0, 38.0, 85.0, 0.203561648726463 0.203561648726463, 0.0, 0.57235711812973, 0.0, 0.0, 0.164600849151611 0.164600849151611, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0990471839904785 0.0990471839904785, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 4.48000001907349, 0.0, 0.0, 2.0, 0.0, 0.0, 5.31842279434204, 0.0, 2.71224331855774, 0.0, , 0.0, 0.120710678398609, 0.0, 1.60555863380432, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.871079981327057, 0.0, 0.0158113874495029, , 0.405874669551849, 0.0, 0.0, 0.0, 0.170729443430901, 0.0, , , 0.0, 0.046399001032114, 0.0, 96.9800033569336, 0.0, 0.0, , 0.333333343267441, 0.0, 0.0, , 0.5, 13.4033708572388, 0.0, 0.0, 11.0761938095093, 0.0, , 134.0, 0.0, 320.495330810547, 1.0, 0.0, 12.8510341644287, 0.0, 324.013061523438, 0.0, 0.0, 12.7403774261475, 0.0, 0.0, 0.0, , 0.0, 347.727752685547, 10.8779554367065, 4.32192802429199, 10.0, 306.787048339844, 0.0, 234.059997558594, 0.0, 209.1337890625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 7.98312759399414, , , 0.5, 4.71874380111694, 0.0, 0.0, 0.0, 0.5, 1.0, 3.55457329750061, 0.0, 0.0, 2.38110160827637, , 2.39565467834473, 0.16666667163372, 1.04004192352295, 0.0, 0.0, 1.47517478466034, 0.0, 0.0, 0.243824675679207, 0.0, 0.0, 0.0, 1.0, -0.13923205435276, 1.0, 0.642228543758392, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H6N6O3%2Fc8-6-10-5%2811-7%289%2912-6%293-1-2-4%2816-3%2913%2814%2915%2Fh1-2H%2C%28H4%2C8%2C9%2C10%2C11%2C12%29, 0.0, 2.56341147422791 2.56341147422791, 2.23499155044556, 0.0971638187766075, 0.0, 0.0, 0.0, 3.68636012077332 3.68636012077332, 1.18882620334625, 0.115901544690132, 0.0, 0.0, 4.55300283432007 4.55300283432007, -0.267196416854858, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 82.0, 212.0, 0.555858373641968 0.555858373641968, 0.0, 0.5, 0.0, 0.0, 0.679596126079559 0.679596126079559, 0.0, 0.666666686534882, 0.0, 12.4567470550537, 0.0, 0.0, 0.654629647731781 0.654629647731781, 0.0, 5.10416650772095, 0.117851130664349, 0.0, 0.0, 0.0, 3.02972650527954, 0.20412415266037, 0.0340206921100616, 0.0, 0.0, 0.446958005428314, 7.9040093421936, 0.0528985671699047, 4.27371263504028, 0.0679118558764458, , 3.95055055618286, 0.355182588100433, 0.0, 3.02979969978333, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.90440988540649, 0.0, 0.0257944501936436, 0.0, 1.25967276096344, 0.0, 0.0, 0.0, 0.709517598152161, 0.0, 0.0, 0.0, 0.0, 0.373302936553955, 0.0, , 0.25, 0.167927950620651, 0.0, 2.38110160827637, 0.0, 0.0, 0.0, 0.28571429848671, 20.4833354949951, 0.0, 0.0, 20.2667827606201, 0.0, 0.0, 443.0, 0.0, 792.083618164062, 2.0, 0.0, 30.0068664550781, 0.0, 919.382995605469, 0.0, 0.0, 26.1480922698975, 0.0, 0.0, 0.0, 0.0, 0.0, 1258.06823730469, 23.4019985198975, 5.0, 21.0, 1075.89733886719, 0.0, 385.089996337891, 0.0, 895.183959960938, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 2.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.5, 0.0, 0.0, 0.536342144012451, 3.0, 0.0, 11.7067422866821, 0.0, 0.0, 0.5, 7.55855083465576, 0.0, 3.0, 0.0, 1.41068363189697, 0.0, 7.25475883483887, 1.0, 0.0, 1.0, 0.0, 5.33819723129272, 0.25, 3.99735641479492, 0.0, 0.0, 4.48048782348633, 2.0, 0.0, 0.464304894208908, 0.0, 0.0, 1.0, 2.0, -0.300445646047592, 0.0, 3.06155180931091, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2, , 1.85140001773834 1.85140001773834, 0.653482377529144, -0.0449167415499687, 0.0, , , 2.5294976234436 2.5294976234436, 0.307529658079147, -0.0886714607477188, , , 3.35758996009827 3.35758996009827, -0.0249165501445532, , 0.0, 0.666666686534882, , , , 52.0, 89.0, 0.398336470127106 0.398336470127106, , 0.944940805435181, , 0.0, 0.402203172445297 0.402203172445297, 0.0, 0.0, , 9.09090900421143, 0.0, , 0.395843178033829 0.395843178033829, 0.0, 3.59999990463257, 0.0, 0.0, , 0.0, 2.21453285217285, 0.0680413842201233, 0.0, , 0.0, 0.175366476178169, 5.52032470703125, 0.0240562614053488, 2.83907103538513, 0.0354054644703865, , 1.65096366405487, 0.262592285871506, 1.0, 2.00526142120361, 0.0, 0.0, , 0.0, , 0.0, 1.19616663455963, 0.0, 0.0274249538779259, , 0.686696887016296, 0.0, 0.0, , 0.404188603162766, , , , 0.0, 0.114351935684681, , 92.0699996948242, 0.0, 0.0311635658144951, , 0.0, 0.0, 0.0, , 0.25, 14.0433835983276, 0.0, , 12.7713947296143, 0.0, , 148.0, 0.0, 444.764465332031, 0.0, 0.0, 17.767578125, 0.0, 495.660827636719, 0.0, 0.0, 17.2107582092285, 0.0, , , , 0.0, 639.095947265625, 13.9017562866211, 4.45943164825439, 14.0, 539.649047851562, , 179.050003051758, 0.0, 293.870300292969, 3.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, , , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 8.43072128295898, , , 0.400000005960464, 5.10906076431274, 0.0, , , 0.993793487548828, , 4.80337953567505, 0.0, 0.0, 1.65096366405487, , 3.37654876708984, 0.232307806611061, 5.85380077362061, , , 2.50549149513245, 3.0, , 0.187772318720818, 0.0, 0.0, , , 0.00578310946002603, , 1.89818668365479, , , 0.0
-InChI%3D1S%2FC18H23NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C14-15%2C20%2C23H%2C2%2C5-10H2%2C1H3%2Ft14-%2C15%3F%2C18-%2Fm1%2Fs1, 0.0, 6.14030265808105 6.14030265808105, 3.9629693031311, -0.023308115079999, 6.0, 2.0, 0.0, 9.12922191619873 9.12922191619873, 2.98981118202209, 0.0416607372462749, 0.0, 0.0, 10.1778497695923 10.1778497695923, 0.0394603759050369, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 134.0, 396.0, 2.33882617950439 2.33882617950439, 0.0, 1.28049027919769, 0.0, 0.0, 3.05313563346863 3.05313563346863, 0.0, 1.90000247955322, 0.0, 19.7530860900879, 0.0, 0.0, 3.0152735710144 3.0152735710144, 0.0, 7.93499994277954, 0.19245009124279, 0.0, 0.0, 0.0, 3.70408153533936, 0.383276641368866, 0.127240225672722, 2.0, 0.0, 0.594116032123566, 14.2337827682495, 0.225366085767746, 8.3823356628418, 0.301487296819687, , 7.17539262771606, 1.03051054477692, 0.0, 6.64001226425171, 0.0, 2.47687101364136, 0.0, 0.0395284704864025, 0.0, 0.0, 5.20849990844727, 0.0, 0.255121737718582, 0.0, 3.59655332565308, 1.0, 0.0263523142784834, 0.0, 2.1889111995697, 0.0, 0.0, 0.0, 1.0, 1.39405238628387, 0.0, 96.3000030517578, 0.0, 0.880340337753296, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 30.0068016052246, 1.0, 0.0, 30.1552925109863, 0.200000002980232, 0.0, 1297.0, 0.200000002980232, 1778.20104980469, 5.0, 0.0, 45.8666915893555, 3.2093026638031, 2116.36743164062, 1.0, 0.0, 55.0207138061523, 0.0, 0.0, 0.0, 0.0, 3.49456715583801, 3054.9130859375, 53.9104270935059, 5.64385604858398, 46.0, 3172.7265625, 0.0, 1900.06994628906, 0.63245552778244, 3077.3896484375, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 4.0, 0.0, 18.1898708343506, 0.0, 0.0, 0.333333343267441, 11.9012327194214, 2.0, 0.0, 0.0, 2.11449432373047, 0.0, 10.8681240081787, 2.0, 0.117851130664349, 6.79064464569092, 0.0, 10.0932712554932, 0.975561857223511, 17.0301761627197, 0.0, 0.0, 7.70803689956665, 0.0, 0.0, 0.852550268173218, 0.16666667163372, 2.16097092628479, 0.0, 2.0, -0.433201193809509, 1.0, 5.21671295166016, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H8N2O%2Fc7-5-6-3-1-2-4-6%2Fh1-4H2, , 0.492799282073975 0.492799282073975, 0.20412415266037, 0.032451119273901, 4.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.0, -0.0246056914329529, , 0.0, 0.20412415266037 0.20412415266037, -0.00552362622693181, , 0.0, 1.0, 0.0, 0.0, 0.0, 30.0, 44.0, 0.182246178388596 0.182246178388596, 0.0, 0.0, 0.0, 0.0, 0.207735031843185 0.207735031843185, 0.0, 0.0, 0.0, 5.14285707473755, 0.0, 0.0, 0.040824830532074 0.040824830532074, 0.0, 2.34375, 0.144337564706802, 0.0, 0.0, 0.0, 1.1851851940155, 0.102062076330185, 0.111803397536278, 0.0, 0.0, 0.102062076330185, 4.13110256195068, 0.0500000007450581, 2.51502966880798, 0.020412415266037, , 0.0, 0.100000001490116, 0.0, 1.74241960048676, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.19792556762695, 0.0, 0.0, , 0.782087981700897, 0.0, 0.0, 0.0, 0.157735019922256, , , , 0.0, 0.040824830532074, 0.0, 32.6699981689453, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 8.49444484710693, 0.0, 0.0, 8.24582481384277, 0.0, , 43.0, 0.0, 241.054504394531, 0.0, 0.0, 9.21820735931396, 0.0, 255.353698730469, 0.0, 0.0, 4.99655437469482, 0.0, 0.0, 0.0, , 0.0, 290.967102050781, 2.66418385505676, 3.80735492706299, 4.0, 100.647361755371, 0.0, 183.029998779297, 0.0, 39.5500373840332, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 5.11288404464722, , , 0.5, 3.4318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.55873084068298, 0.0, 0.0, 4.24264049530029, , 2.05209517478943, 0.0, 0.0, 0.0, 0.0, 1.41861128807068, 0.0, 0.0, 0.0585289783775806, 0.0, 0.0, 0.0, 1.0, -0.0315862894058228, 1.0, 0.492799282073975, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H10N4%2Fc1-7-3-2-6-15-10%287%2913-8-4-5-9%2812%2914-11%288%2915%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29, 0.0, 2.64564681053162 2.64564681053162, 3.02995777130127, 0.0874186158180237, 5.0, 0.0, 0.0, 4.39823865890503 4.39823865890503, 2.10218954086304, -0.0502743944525719, 0.0, 0.0, 6.58242130279541 6.58242130279541, 0.00845868326723576, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 84.0, 179.0, 1.17695581912994 1.17695581912994, 0.0, 0.0, 0.0, 0.0, 1.7345107793808 1.7345107793808, 0.0, 0.0, 0.0, 10.1730108261108, 0.0, 0.0, 2.28208994865417 2.28208994865417, 0.0, 3.78559994697571, 0.0785674229264259, 0.0, 0.0, 0.0, 1.6457142829895, 0.348110347986221, 0.025000000372529, 0.0, 0.0, 0.713029801845551, 9.00731182098389, 0.139182642102242, 5.69203519821167, 0.246150508522987, , 4.32963848114014, 0.564263105392456, 0.0, 4.56377029418945, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.41004419326782, 0.0, 0.0986791476607323, 0.0, 2.57193112373352, 1.0, 0.0, 0.0, 1.91233503818512, 0.0, 0.0, 0.0, 0.0, 1.13287007808685, 0.0, 53.7000007629395, 0.0, 0.696121394634247, 0.0, 0.63245552778244, 0.0, 0.0, 0.0, 0.25, 16.4399528503418, 1.0, 0.0, 18.3294811248779, 0.0, 0.0, 327.0, 0.0, 987.968078613281, 1.0, 0.0, 27.5756320953369, 1.34123075008392, 1185.27294921875, 0.0, 0.0, 26.5203971862793, 0.0, 0.0, 0.0, 0.0, 1.74706780910492, 1733.55322265625, 19.3570995330811, 4.90689039230347, 24.0, 1596.89001464844, 0.0, 879.039978027344, 0.0, 1146.42883300781, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 2.0, 1.0, 5.0, 0.0, 10.4138488769531, 0.0, 0.0, 0.428571432828903, 7.25402021408081, 0.0, 1.0, 0.0, 1.09929239749908, 0.0, 6.81375741958618, 1.0, 0.0, 3.50243234634399, 0.0, 5.91291666030884, 0.275377541780472, 9.28120708465576, 2.0, 0.0, 5.11854648590088, 0.0, 1.0, 0.229020684957504, 0.0, 0.0, 0.0, 0.0, -0.166849657893181, 0.0, 4.41153478622437, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H10N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-4H%2C1-2%2C5-6H2, , 0.492799282073975 0.492799282073975, 0.144337564706802, 0.0416407063603401, 2.0, 0.0, 0.0, 0.679412364959717 0.679412364959717, 0.0, -0.0338809154927731, , 0.0, 0.492799282073975 0.492799282073975, 0.000680255121551454, , 0.0, 1.0, 0.0, 0.0, 0.0, 32.0, 70.0, 0.156294882297516 0.156294882297516, 0.0, 0.0, 0.0, 0.0, 0.162123441696167 0.162123441696167, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0804737880825996 0.0804737880825996, 0.0, 6.125, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.0, 0.0, 0.0, 5.28580331802368, 0.0, 2.64802289009094, 0.0, , 0.0, 0.100000001490116, 0.0, 1.53059780597687, 0.0, 0.0, , 0.0, , 0.0, 0.795167148113251, 0.0, 0.0, , 0.439246505498886, 0.0, 0.0, 0.0, 0.152549713850021, , , , 2.0, 0.0372678004205227, , 32.6699981689453, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 10.4944448471069, 0.0, , 9.24582481384277, 0.0, , 102.0, 0.16666667163372, 344.421539306641, 0.0, 0.0, 9.21820735931396, 3.18108296394348, 334.064422607422, 0.0, 0.0, 9.32892513275146, 0.0, 0.0, 0.0, , 0.0, 333.302703857422, 7.99655437469482, 4.16992521286011, 8.0, 293.166076660156, 0.0, 252.029998779297, 0.0, 216.948318481445, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 2.0, 0.0, , , 2.0, 0.0, , , 0.0, 2.0, 0.0, 1.0, 0.0, 0.0, 7.11288404464722, , , 0.5, 4.34606504440308, 2.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.85162401199341, 0.0, 0.0, 2.94168281555176, , 1.9711971282959, 0.0, 0.0, 0.0, 0.0, 1.3690824508667, 0.0, 0.0, 0.0672189965844154, 0.0, 0.0, 0.0, 1.0, -0.0429956614971161, 1.0, 0.696923434734344, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H8N4O5%2Fc1-5%2814%2910-4-7-11-9%2812-18-7%296-2-3-8%2817-6%2913%2815%2916%2Fh2-3H%2C4H2%2C1H3%2C%28H%2C10%2C14%29, 0.0, 2.61357235908508 2.61357235908508, 2.37397837638855, -0.194182813167572, 1.0, 0.0, 0.0, 3.18411183357239 3.18411183357239, 1.44624304771423, 0.37240868806839, 0.0, 0.0, 3.75722193717957 3.75722193717957, -0.220335140824318, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 90.0, 313.0, 0.508146584033966 0.508146584033966, 0.0, 0.481411129236221, 0.0, 0.0, 0.526633381843567 0.526633381843567, 0.0, 1.17598414421082, 0.0, 14.4099721908569, 0.0, 0.0, 0.457096070051193 0.457096070051193, 0.0, 6.43787002563477, 0.235702261328697, 0.0, 0.0, 0.0, 3.99583768844604, 0.287457466125488, 0.0544331036508083, 1.0, 0.0, 0.474854648113251, 9.23086833953857, 0.0568648241460323, 4.83220052719116, 0.0589754469692707, , 3.08133912086487, 0.363447725772858, 0.0, 3.27015781402588, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.90337264537811, 0.0, 0.0205692183226347, 0.0, 1.14719223976135, 1.0, 0.0, 0.0, 0.619544267654419, 0.0, 0.0, 0.0, 0.0, 0.331766486167908, 0.0, 130.470001220703, 0.0, 0.164282515645027, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.3122978210449, 0.0, 0.0, 22.9858779907227, 0.25, 0.0, 685.0, 0.0, 719.282958984375, 1.0, 0.0, 32.6148872375488, 0.5, 819.378356933594, 0.0, 0.0, 26.7286186218262, 0.0, 0.0, 0.0, 0.0, 1.15627098083496, 1095.91516113281, 24.9544887542725, 5.16992521286011, 21.0, 861.80712890625, 0.0, 423.089996337891, 0.0, 805.118530273438, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 1.04004192352295, 0.0, 2.0, 0.512992799282074, 3.0, 0.0, 13.1209554672241, 0.0, 0.0, 0.454545468091965, 8.55855083465576, 0.0, 0.0, 0.0, 1.44570577144623, 1.0, 7.98758363723755, 0.0, 0.0, 0.965489387512207, 0.0, 5.85727643966675, 0.25, 5.45638656616211, 2.0, 0.0, 4.45938396453857, 2.0, 0.0, 0.610772609710693, 0.0, 0.0, 2.0, 2.0, -0.278917700052261, 0.0, 3.16453075408936, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H9NO%2Fc13-8-5-6-10-9-3-1-2-4-11%289%2914-12%2810%297-8%2Fh1-7H%2C13H2, 0.0, 2.13240456581116 2.13240456581116, 2.77318382263184, -0.0220973119139671, 0.0, 0.0, 0.0, 3.73455214500427 3.73455214500427, 1.97690010070801, -0.0350147001445293, 0.0, 0.0, 5.21580028533936 5.21580028533936, 0.054889589548111, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 78.0, 171.0, 0.734138429164886 0.734138429164886, 0.0, 0.0, 0.0, 0.0, 1.04644501209259 1.04644501209259, 0.0, 0.0, 0.0, 9.2421875, 0.0, 0.0, 1.19005692005157 1.19005692005157, 0.0, 3.53875231742859, 0.0785674229264259, 0.0, 0.0, 0.0, 1.546875, 0.37359693646431, 0.0255155190825462, 0.0, 0.0, 0.648104131221771, 7.52705049514771, 0.110759600996971, 4.51230764389038, 0.144879311323166, , 5.14592981338501, 0.358413755893707, 1.0, 3.35381817817688, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.40281534194946, 4.0, 0.0548540242016315, 0.0, 1.74249362945557, 0.0, 0.0, 0.0, 1.19888663291931, 0.0, 0.0, 0.0, 0.0, 0.643220901489258, 0.0, 39.1599998474121, 0.0, 0.374415785074234, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.1344566345215, 2.0, 0.0, 16.8303699493408, 0.0, 0.0, 274.0, 0.0, 893.448669433594, 0.0, 0.0, 24.660737991333, 0.0, 1068.49621582031, 0.0, 0.0, 22.660737991333, 0.0, 0.0, 0.0, 0.0, 0.0, 1542.29211425781, 16.3838348388672, 4.80735492706299, 21.0, 1355.23425292969, 0.0, 443.019989013672, 0.0, 911.324462890625, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 9.54360580444336, 0.0, 0.0, 0.428571432828903, 6.84333658218384, 0.0, 0.0, 0.0, 0.894173979759216, 0.0, 6.28625202178955, 0.0, 0.0, 7.31527996063232, 0.0, 5.42673015594482, 0.191638320684433, 14.2854290008545, 0.0, 0.0, 4.83833599090576, 7.0, 0.0, 0.187851876020432, 0.0, 0.0, 1.0, 0.0, -0.0718395113945007, 0.0, 4.03695344924927, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H10N6O5%2Fc1-5%2818%2912-10-14-9%2815-11%2816-10%2913-6%282%2919%297-3-4-8%2822-7%2917%2820%2921%2Fh3-4H%2C1-2H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%2C18%2C19%29, 0.0, 3.07525610923767 3.07525610923767, 3.39449071884155, 0.327486306428909, 0.0, 0.0, 0.0, 4.62275695800781 4.62275695800781, 2.17660784721375, -0.145696371793747, 0.0, 0.0, 5.64115619659424 5.64115619659424, -0.0514290630817413, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 110.0, 356.0, 0.586177706718445 0.586177706718445, 0.0, 0.814325273036957, 0.0, 0.0, 0.709533154964447 0.709533154964447, 0.0, 0.872871577739716, 0.0, 18.3402652740479, 0.0, 0.0, 0.65148651599884 0.65148651599884, 0.0, 8.203125, 0.117851130664349, 0.0, 0.0, 0.0, 5.55149745941162, 0.20412415266037, 0.0340206921100616, 2.0, 0.0, 0.407100260257721, 11.4571542739868, 0.0434052012860775, 5.8409686088562, 0.0508345440030098, , 6.34884834289551, 0.488340705633163, 0.0, 3.9720447063446, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.12755227088928, 0.0, 0.0205692183226347, 0.0, 1.39950120449066, 2.0, 0.0, 0.0, 0.76995187997818, 0.0, 0.0, 0.0, 0.0, 0.457437932491302, 0.0, 162.809997558594, 0.0, 0.236771956086159, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 28.0322742462158, 0.0, 0.0, 27.2633380889893, 0.0, 0.0, 1085.0, 0.125, 1058.01403808594, 2.0, 0.0, 40.1103553771973, 0.534522473812103, 1215.79016113281, 0.0, 0.0, 35.4770164489746, 0.0, 0.0, 0.0, 0.0, 3.29121708869934, 1655.97241210938, 38.2806015014648, 5.45943164825439, 29.0, 1555.29614257812, 0.0, 627.109985351562, 0.0, 1564.53173828125, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 2.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 4.0612621307373, 0.0, 0.0, 0.817190229892731, 3.0, 0.0, 16.27565574646, 0.0, 0.0, 0.5, 10.3462448120117, 0.0, 0.0, 0.0, 2.05807828903198, 2.0, 10.0355644226074, 0.0, 0.0, 1.0, 0.0, 6.67153072357178, 0.25, 4.26370668411255, 3.0, 0.0, 5.80589246749878, 2.0, 0.0, 0.732638657093048, 0.0, 0.0, 1.0, 2.0, -0.532015383243561, 0.0, 4.12524223327637, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H14N2O%2Fc1-5%282%297-8%289%296%283%294%2Fh5-6H%2C1-4H3, 0.0, , , -0.0428385213017464, 0.0, 0.0, 0.0, , , -0.0240541435778141, 0.0, 0.0, , 0.00740539841353893, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 36.0, 63.0, , 0.0, 0.0, 0.0, , , , 0.0, 0.0, 9.0, , 0.0, , 0.0, 3.92000007629395, , 0.0, 0.0, , 4.5, , , 0.0, 0.0, , , , , , , 0.333333343267441, , 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, , 0.0, , 4.0, , 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 41.1100006103516, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.4944448471069, 0.0, 0.0, 9.24582481384277, 0.0, 0.0, 96.0, 1.62865054607391, , 0.0, 0.0, 11.8826694488525, 0.0, , 0.0, 0.0, 9.66101741790771, 0.0, 0.0, 0.0, 0.0, 4.0, , 6.66418409347534, 4.16992521286011, 8.0, , 0.0, 412.029998779297, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, , 0.0, 0.0, 0.400000005960464, , 0.0, 0.0, 0.0, , 1.0, , 2.0, , 0.0, 0.0, , , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0960287675261497, , 0.0, 0.0, 1.0, 0.00798866618424654, 0.0, , 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H10ClN3O3%2Fc6-1-2-7-5%2811%299%288-12%293-4-10%2Fh10H%2C1-4H2%2C%28H%2C7%2C11%29, 0.0, 1.06903564929962 1.06903564929962, 0.392258912324905, 0.0642147287726402, 4.0, 0.0, 1.0, 1.44280898571014 1.44280898571014, 0.201184466481209, 3.78514705516864e-05, 0.0, 0.0, 1.40829122066498 1.40829122066498, -0.174739584326744, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 46.0, 129.0, 0.225358620285988 0.225358620285988, 0.0, 0.646330416202545, 0.0, 0.0, 0.225064158439636 0.225064158439636, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 0.178404599428177 0.178404599428177, 0.0, 7.63888883590698, 0.0, 0.0, 0.0, 0.0, 5.32544374465942, 0.0, 0.0, 2.0, 0.0, 0.0, 7.1066370010376, 0.0, 3.80386161804199, 0.0, , 0.0, 0.115432038903236, 0.0, 2.1770658493042, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.14799833297729, 0.0, 0.0141421351581812, 0.0, 0.580456912517548, 0.0, 0.0, 0.0, 0.282349407672882, 0.0, 0.0, 0.0, 0.0, 0.11538390815258, 0.0, 85.4899978637695, 0.0, 0.0498786605894566, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.1161251068115, 0.0, 0.0, 15.1941165924072, 0.0, 0.0, 226.0, 0.0, 456.827606201172, 1.0, 0.0, 16.9689559936523, 0.0, 463.085052490234, 0.0, 0.0, 18.7361164093018, 0.0, 0.0, 0.0, 0.0, 0.0, 498.934692382812, 17.660062789917, 4.58496236801147, 13.0, 484.420928955078, 0.0, 309.070007324219, 0.0, 398.725006103516, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.41421353816986, 0.0, 0.0, 9.39734077453613, 0.0, 0.0, 0.5, 5.75674867630005, 0.0, 0.0, 0.0, 0.402368932962418, 2.0, 4.07651567459106, 0.0, 0.0, 2.06597971916199, 0.0, 3.00160050392151, 0.117851130664349, 1.63299322128296, 0.0, 0.0, 2.02360343933105, 0.0, 0.0, 0.361013442277908, 0.0, 0.0, 0.0, 1.0, -0.197442963719368, 1.0, 1.17846834659576, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2, 0.0, 5.07260036468506 5.07260036468506, 2.42504143714905, -0.0395347066223621, 2.0, 0.0, 4.0, 5.97718906402588 5.97718906402588, 1.55934536457062, -0.0138863427564502, 0.0, 0.0, 8.53145694732666 8.53145694732666, 0.00565024605020881, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 96.0, 235.0, 5.94472932815552 5.94472932815552, 0.0, 0.25, 0.0, 0.0, 5.07513189315796 5.07513189315796, 0.0, 0.0, 1.0, 14.4099721908569, 0.0, 0.0, 5.51774215698242 5.51774215698242, 0.0, 5.17479181289673, 0.0641500279307365, 0.0, 0.0, 0.0, 2.65927982330322, 0.347716152667999, 0.0372678004205227, 0.0, 0.0, 0.615596115589142, 12.8249940872192, 0.184332758188248, 7.62444305419922, 0.278502225875854, , 4.4615421295166, 2.80946946144104, 0.0, 8.20241355895996, 0.0, 1.85053586959839, 0.0, 0.454568654298782, 0.0, 0.0, 6.16645097732544, 0.0, 1.65731203556061, 0.0, 3.44831490516663, 0.0, 0.584445416927338, 0.0, 2.69017839431763, 0.0, 0.0, 0.0, 0.0, 1.70590054988861, 0.0, 62.6800003051758, 0.0, 1.16393792629242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 56.8876953125, 2.0, 0.0, 31.5867538452148, 0.0, 0.0, 567.0, 0.0, 1708.55078125, 2.0, 0.0, 73.2724914550781, 0.0, 2025.01196289062, 1.0, 0.0, 90.4400482177734, 0.0, 0.0, 0.0, 0.0, 0.0, 2885.89379882812, 42.1304550170898, 5.16992521286011, 30.0, 2677.8310546875, 0.0, 478.079986572266, 0.0, 2071.3046875, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 2.0, 0.0, 13.4996356964111, 0.0, 0.0, 0.5, 8.34304141998291, 2.0, 0.0, 0.0, 2.13230037689209, 0.0, 8.34166049957275, 3.0, 0.20412415266037, 3.96540641784668, 0.0, 6.90099382400513, 1.06674861907959, 6.99928522109985, 0.0, 0.0, 4.82265472412109, 0.0, 0.0, 0.508817732334137, 0.20412415266037, 0.730296730995178, 0.0, 2.0, -0.194331899285316, 1.0, 4.03859043121338, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H9N%2Fc11-10-6-5-8-3-1-2-4-9%288%297-10%2Fh1-7H%2C11H2, 0.0, 1.29197371006012 1.29197371006012, 1.43704426288605, -0.00447590881958604, 0.0, 0.0, 0.0, 1.95425176620483 1.95425176620483, 0.811929047107697, -0.000332824245560914, 0.0, 0.0, 2.71106457710266 2.71106457710266, -1.93123942153761e-05, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 56.0, 108.0, 0.482122391462326 0.482122391462326, 0.0, 0.0, 0.0, 0.0, 0.609116733074188 0.609116733074188, 0.0, 0.0, 0.0, 7.63888883590698, 0.0, 0.0, 0.679712653160095 0.679712653160095, 0.0, 3.1640625, 0.0, 0.0, 0.0, 0.0, 1.60000002384186, 0.151374712586403, 0.0, 0.0, 0.0, 0.282117545604706, 6.11880207061768, 0.0518340393900871, 3.60405921936035, 0.0737416818737984, , 1.65096366405487, 0.262891709804535, 1.0, 2.60658812522888, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.773521900177, 2.0, 0.0277777779847383, 0.0, 1.20779895782471, 0.0, 0.0, 0.0, 0.829344630241394, 0.0, 0.0, 0.0, 0.0, 0.363746374845505, 0.0, 26.0200004577637, 0.0, 0.17153961956501, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.3599882125854, 2.0, 0.0, 12.1661853790283, 0.0, 0.0, 144.0, 0.0, 657.628723144531, 0.0, 0.0, 16.3323707580566, 0.0, 748.883422851562, 0.0, 0.0, 14.3323707580566, 0.0, 0.0, 0.0, 0.0, 0.0, 990.101684570312, 8.33237075805664, 4.45943164825439, 14.0, 836.441589355469, 0.0, 331.010009765625, 0.0, 432.028717041016, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 7.68179845809937, 0.0, 0.0, 0.5, 5.36017322540283, 0.0, 0.0, 0.0, 0.622008442878723, 0.0, 4.72284078598022, 0.0, 0.0, 8.78097438812256, 0.0, 3.80187177658081, 0.0833333358168602, 10.6178750991821, 0.0, 0.0, 3.1080687046051, 7.0, 0.0, 0.0269771013408899, 0.0, 0.0, 0.0, 0.0, -0.0086602158844471, 0.0, 2.60960268974304, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC5H11Cl2N%2Fc1-8%284-2-6%295-3-7%2Fh2-5H2%2C1H3, 0.0, 0.40824830532074 0.40824830532074, 0.144337564706802, -0.0846392065286636, 4.0, 0.0, 2.0, 0.55258584022522 0.55258584022522, 0.0, 0.141528129577637, 0.0, 0.0, 0.288675129413605 0.288675129413605, -0.0368702225387096, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 28.0, 61.0, 0.31622776389122 0.31622776389122, 0.0, 0.0, 0.0, 0.0, 0.47037199139595 0.47037199139595, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.253546267747879 0.253546267747879, 0.0, 5.14285707473755, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.54342746734619, 0.0, 3.68323659896851, 0.0, , 0.0, 0.223606795072556, 0.0, 2.43716931343079, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.27053391933441, 0.0, 0.0, 0.0, 0.977464556694031, 1.0, 0.0, 0.0, 0.253546267747879, 0.0, 0.0, 0.0, 0.0, 0.143747225403786, 0.0, 3.24000000953674, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.7854957580566, 0.0, 0.0, 11.4020309448242, 0.0, 0.0, 75.0, 0.0, 388.758178710938, 0.0, 0.0, 11.2358455657959, 1.63299322128296, 369.235046386719, 0.0, 0.0, 10.8845453262329, 0.0, 0.0, 0.0, 0.0, 0.0, 357.774169921875, 12.8069496154785, 4.0, 6.0, 289.829040527344, 0.0, 268.029998779297, 0.0, 200.916656494141, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.40577745437622, 0.0, 0.0, 0.5, 3.80806040763855, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 2.68252205848694, 0.0, 0.0, 2.94168281555176, 0.0, 1.56294882297516, 0.0, 0.0, 0.0, 0.0, 1.12993609905243, 0.0, 0.0, 0.194723755121231, 0.0, 0.0, 0.0, 0.0, -0.0948336124420166, 1.0, 0.288675129413605, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H13NO%2Fc1-4-7%285-2%296%283%298%2Fh4-5H2%2C1-3H3, 0.0, 1.13807117938995 1.13807117938995, 0.0, 0.0476569049060345, 2.0, 0.0, 0.0, 1.30473780632019 1.30473780632019, 0.0, -0.0183780789375305, 0.0, 0.0, 0.333333343267441 0.333333343267441, -0.00692140683531761, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 30.0, 43.0, 0.51015317440033 0.51015317440033, 0.0, 0.0, 0.0, 0.0, 0.55579674243927 0.55579674243927, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0912870913743973 0.0912870913743973, 0.0, 3.9375, 0.0, 0.0, 0.0, 0.0, 2.8125, 0.0, 0.0, 0.0, 0.0, 0.0, 5.76967525482178, 0.0, 2.97440004348755, 0.0, , 0.0, 0.203090488910675, 0.0, 1.6913081407547, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.20876860618591, 0.0, 0.0456435456871986, 0.0, 0.668933987617493, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.3099994659424, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.13445663452148, 0.0, 0.0, 7.83064794540405, 0.0, 0.0, 67.0, 0.75, 315.930816650391, 1.0, 0.0, 9.38411331176758, 2.88449907302856, 309.743591308594, 0.0, 0.0, 8.66418361663818, 0.0, 0.0, 0.0, 0.0, 1.44224953651428, 333.918701171875, 5.66418409347534, 4.0, 8.0, 285.646087646484, 0.0, 344.019989013672, 0.0, 135.735977172852, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.56891393661499, 0.0, 0.0, 0.5, 3.71874403953552, 0.0, 0.0, 0.0, 0.5, 0.0, 2.8205931186676, 0.0, 0.0, 0.5, 0.0, 1.99156379699707, 0.16666667163372, 1.0, 0.0, 0.0, 1.23148417472839, 0.0, 0.0, 0.195098370313644, 0.0, 0.0, 0.0, 1.0, -0.119906604290009, 1.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H10O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-7%2C9H%2C1H3, 0.0, 1.04044008255005 1.04044008255005, 0.451184451580048, -0.013014174066484, 0.0, 0.0, 0.0, 1.05473780632019 1.05473780632019, 0.235702261328697, -0.000956042436882854, 0.0, 0.0, 1.04044008255005 1.04044008255005, -3.3714204619173e-05, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 40.0, 69.0, 0.399440497159958 0.399440497159958, 0.0, 0.0, 0.0, 0.0, 0.343092858791351 0.343092858791351, 0.0, 0.0, 0.0, 7.11111116409302, 0.0, 0.0, 0.266293674707413 0.266293674707413, 0.0, 3.23966932296753, 0.0, 0.0, 0.0, 0.0, 2.0, 0.102062076330185, 0.0, 1.0, 0.0, 0.0589255653321743, 5.41131544113159, 0.0320750139653683, 3.03490781784058, 0.0185185186564922, , 1.0, 0.225324496626854, 0.0, 2.08665704727173, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.28197705745697, 0.0, 0.0430331490933895, 0.0, 0.731555283069611, 1.0, 0.0, 0.0, 0.417401641607285, 0.0, 0.0, 0.0, 0.0, 0.129875838756561, 0.0, 20.2299995422363, 0.0, 0.0536005049943924, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.77446937561035, 1.0, 0.0, 9.33209228515625, 0.0, 0.0, 88.0, 0.0, 423.320892333984, 0.0, 0.0, 11.6641836166382, 1.34123075008392, 451.376800537109, 0.0, 0.0, 9.66418361663818, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 533.544982910156, 5.66418409347534, 4.16992521286011, 9.0, 409.581604003906, 0.0, 289.010009765625, 0.0, 192.192230224609, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 6.69023466110229, 0.0, 0.0, 0.400000005960464, 4.30453062057495, 0.0, 0.0, 0.0, 0.5, 0.0, 3.6421070098877, 1.0, 0.0, 6.08364343643188, 0.0, 2.59263896942139, 0.16666667163372, 4.74510288238525, 0.0, 0.0, 1.80083346366882, 5.0, 0.0, 0.0754704624414444, 0.0, 0.0, 0.0, 0.0, -0.0237307958304882, 0.0, 1.25044357776642, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2, 0.0, 0.0 0.0, 0.0, 0.153912678360939, 2.0, 1.0, 2.0, 0.0 0.0, 0.0, -0.0687064453959465, 0.0, 0.0, 0.0 0.0, 0.0152375204488635, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 14.0, 24.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.09024858474731, 0.0, 2.18091773986816, 0.0, , 0.0, 0.0, 0.0, 0.858777821063995, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.462910056114197, 0.0, 0.0, 0.0, 0.262445330619812, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.22999954223633, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.1999759674072, 0.0, 0.0, 8.56765842437744, 0.0, 0.0, 20.0, 0.0, 156.442977905273, 0.0, 0.0, 8.86397171020508, 0.0, 131.628326416016, 0.0, 0.0, 5.90347480773926, 0.0, 0.0, 0.0, 0.0, 0.0, 94.4086608886719, 8.71275329589844, 3.32192802429199, 2.0, 58.8737564086914, 0.0, 44.0299987792969, 0.0, 22.8639373779297, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.12132024765015, 0.0, 0.0, 0.5, 2.41421365737915, 0.0, 0.0, 0.0, 0.0, 0.0, 1.35355341434479, 0.0, 0.0, 0.5, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.353553384542465, 0.0, 0.0, 0.28129854798317, 0.0, 0.0, 0.0, 0.0, -0.241093024611473, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H, 0.0, 1.30585181713104 1.30585181713104, 1.68752896785736, -0.024740943685174, 0.0, 0.0, 0.0, 1.79898548126221 1.79898548126221, 1.10703253746033, -0.00768898380920291, 0.0, 0.0, 2.14255714416504 2.14255714416504, -0.0368259772658348, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 72.0, 240.0, 0.392278760671616 0.392278760671616, 0.0, 0.0, 0.0, 0.0, 0.454688489437103 0.454688489437103, 0.0, 0.0, 0.0, 11.484375, 0.0, 0.0, 0.462386935949326 0.462386935949326, 0.0, 5.91499996185303, 0.0, 0.0, 0.0, 0.0, 3.5, 0.185395404696465, 0.0, 0.0, 0.0, 0.19001992046833, 8.05161476135254, 0.0598527938127518, 4.63823175430298, 0.0423489958047867, , 0.965489387512207, 0.241202265024185, 0.0, 3.12918663024902, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.03517818450928, 0.0, 0.0, 0.0, 1.29377436637878, 0.0, 0.0, 0.0, 0.855744063854218, 0.0, 0.0, 0.0, 0.0, 0.347172290086746, 0.0, 41.4599990844727, 0.0, 0.18889881670475, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.4944458007812, 0.0, 0.0, 17.0520210266113, 0.0, 0.0, 408.0, 0.0, 813.424011230469, 0.0, 0.0, 21.3292026519775, 0.0, 907.79736328125, 0.0, 0.0, 19.6612949371338, 0.0, 0.0, 0.0, 0.0, 0.0, 1140.24304199219, 14.1627397537231, 4.90689039230347, 18.0, 998.515747070312, 0.0, 466.029998779297, 0.0, 713.195434570312, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.200000002980232, 0.0, 0.0, 0.0, 12.0, 0.0, 10.5102252960205, 0.0, 0.0, 0.5, 7.38134145736694, 0.0, 1.0, 0.0, 0.61237245798111, 1.0, 6.0347375869751, 0.0, 0.0, 11.3306121826172, 0.0, 4.93508815765381, 0.0, 10.1704950332642, 0.0, 0.0, 3.76968121528625, 9.0, 0.0, 0.110058352351189, 0.0, 0.0, 0.0, 1.0, -0.0166268162429333, 0.0, 3.02161502838135, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H10N2O2%2Fc1-6%285-8%293-2-4-7%2Fh7H%2C2-4H2%2C1H3, , 0.492799282073975 0.492799282073975, 0.144337564706802, 0.0357097610831261, 3.0, 0.0, 0.0, 0.348461717367172 0.348461717367172, 0.0, -0.0688305199146271, , 0.0, 0.288675129413605 0.288675129413605, 0.0510735474526882, , 0.0, 1.0, 0.0, 0.0, 0.0, 28.0, 63.0, 0.157735019922256 0.157735019922256, 0.0, 0.16666667163372, 0.0, 0.0, 0.111535504460335 0.111535504460335, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0604902915656567 0.0604902915656567, 0.0, 5.14285707473755, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 1.0, 0.0, 0.0, 4.87120962142944, 0.0, 2.46224331855774, 0.0, , 0.0, 0.141421362757683, 0.0, 1.54006576538086, 0.0, 0.0, , 0.0, , 0.0, 0.779219269752502, 0.0, 0.0, , 0.340360075235367, 1.0, 0.0, 0.0, 0.131200969219208, , , , 0.0, 0.0129099441692233, 0.0, 52.9000015258789, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 10.2689142227173, 0.0, , 8.57791614532471, 0.0, , 76.0, 0.0, 237.010757446289, 0.0, 0.0, 8.38411331176758, 1.04004192352295, 226.8486328125, 0.0, 0.0, 7.32864665985107, 0.0, 0.0, 0.0, , 0.0, 218.666793823242, 5.0517430305481, 4.0, 6.0, 164.978500366211, 0.0, 233.039993286133, 0.0, 101.099388122559, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 6.40577745437622, , , 0.5, 3.80806040763855, 0.0, 0.0, 0.0, 0.288675129413605, 1.0, 2.65564846992493, 0.0, 0.0, 2.38110160827637, , 1.74740028381348, 0.0, 0.0, 0.0, 0.0, 0.75670999288559, 0.0, 0.0, 0.147763907909393, 0.0, 0.0, 0.0, 1.0, -0.063737653195858, 1.0, 0.492799282073975, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H10N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh3-4H2%2C1-2H3, , 0.9112309217453 0.9112309217453, 0.38490018248558, -0.106270141899586, 2.0, 0.0, 0.0, 1.44181478023529 1.44181478023529, 0.0, 0.0788701996207237, , 0.0, 1.50505578517914 1.50505578517914, -0.101844497025013, , 0.0, 1.0, 0.0, 0.0, 0.0, 44.0, 92.0, 0.269924283027649 0.269924283027649, 0.0, 0.56462162733078, 0.0, 0.0, 0.355671763420105 0.355671763420105, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.237942516803741 0.237942516803741, 0.0, 5.625, 0.0, 0.0, 0.0, 0.0, 6.40000009536743, 0.0, 0.0, 0.0, 0.0, 0.0, 6.53338575363159, 0.0, 3.13038468360901, 0.0, , 0.25, 0.38867512345314, 0.0, 2.30835723876953, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.925825417041779, 0.0, 0.0, , 0.627686977386475, 2.0, 0.0, 0.0, 0.238752201199532, 0.0, , , 0.0, 0.110862195491791, 0.0, 66.8099975585938, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 14.0433835983276, 0.0, 0.0, 11.910008430481, 0.0, , 172.0, 0.16666667163372, 380.457885742188, 2.0, 0.0, 14.5465745925903, 1.41421353816986, 388.2646484375, 0.0, 0.0, 12.4358568191528, 0.0, 0.0, 0.0, , 1.78885436058044, 439.376892089844, 13.7676706314087, 4.45943164825439, 10.0, 357.978179931641, 0.0, 290.049987792969, 0.0, 324.009460449219, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , 0.0, 0.0, 2.0, 0.0, 1.0, 0.0, 0.0, 8.85337162017822, , , 0.5, 5.05774927139282, 0.0, 0.0, 0.0, 1.0206207036972, 1.0, 4.533371925354, 0.0, 0.0, 0.5, 0.0, 2.18682599067688, 0.0, 2.30940103530884, 0.0, 0.0, 1.76289176940918, 0.0, 0.0, 0.331898510456085, 0.0, 0.0, 0.0, 3.0, -0.0683930963277817, 1.0, 1.05156683921814, 0.0, 0.0, 0.0
-InChI%3D1S%2FC20H14N2O10S3.3Na%2Fc23-20-18%2835%2830%2C31%2932%2910-11-9-12%2833%2824%2C25%2926%295-6-13%2811%2919%2820%2922-21-16-7-8-17%2834%2827%2C28%2929%2915-4-2-1-3-14%2815%2916%3B%3B%3B%2Fh1-10%2C23H%2C%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%28H%2C30%2C31%2C32%29%3B%3B%3B%2Fq%3B3%2A%2B1%2Fp-3%2Fb22-21%2B%3B%3B%3B, 0.0, 8.44734001159668 8.44734001159668, 6.61624526977539, -0.0243947338312864, 0.0, 0.0, 0.0, 12.9377546310425 12.9377546310425, 5.2650580406189, -0.19543781876564, 0.0, 0.0, 18.2748794555664 18.2748794555664, 0.141290843486786, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 196.0, -1309411456.0, 2.30834031105042 2.30834031105042, 0.0, 6.31417560577393, 3.0, 0.0, 2.85442280769348 2.85442280769348, 0.0, 0.0, 0.0, 36.0263175964355, 0.0, 0.0, 3.46798539161682 3.46798539161682, 0.0, 13.3199996948242, 0.0, 0.0, 0.0, 0.0, 7.85318565368652, 0.252291202545166, 0.0, 1.0, 0.0, 0.527537286281586, 17.1659622192383, 0.0907095670700073, 10.7630567550659, 0.17053884267807, , 12.8613319396973, 1.25484251976013, 0.0, 8.3249979019165, 0.0, 0.0, 0.0, 0.0323152802884579, 0.0, 0.0, 5.77190637588501, 4.0, 0.227296456694603, 0.0, 3.96025133132935, 0.0, 0.00932861771434546, 0.0, 2.85221219062805, 0.0, 0.0, 0.0, 0.0, 1.74171686172485, 0.0, 241.690002441406, 0.0, 1.057936668396, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 72.8392791748047, 4.0, 0.0, 67.0414047241211, 0.0, 0.0, 108000002048.0, 0.0, 2958.58911132812, 0.0, 0.0, 81.6390533447266, 0.0, 3556.26245117188, 0.0, 0.0, 87.10205078125, 0.0, 0.0, 0.0, 0.0, 0.0, 5364.20947265625, 89.3111724853516, 6.24792766571045, 64.0, 5677.52197265625, 0.0, 995.179992675781, 0.0, 5199.7333984375, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 16.0, 0.0, 25.7587833404541, 0.0, 0.0, 0.999000012874603, 16.175687789917, 0.0, 0.0, 0.0, 5.54823064804077, 2.0, 17.5305919647217, 0.0, 0.866025388240814, 9.74168682098389, 0.0, 12.6238021850586, 1.5820347070694, 25.0843715667725, 0.0, 0.0, 10.6920518875122, 10.0, 0.0, 0.9923375248909, 0.380039840936661, 0.0, 0.0, 6.0, -0.354270607233047, 0.0, 8.8174295425415, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H3Cl3O3%2Fc6-2-1%283%287%298%294%289%2911-5%282%2910%2Fh3-4%2C9H, 0.0, 2.43893313407898 2.43893313407898, 0.507867813110352, 0.224535048007965, 0.0, 1.0, 3.0, 4.13089609146118 4.13089609146118, 0.181443691253662, -0.34016889333725, 0.0, 0.0, 4.53416681289673 4.53416681289673, 0.0751860663294792, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 54.0, 82.0, 1.25095081329346 1.25095081329346, 0.0, 0.25, 0.0, 0.0, 1.79763448238373 1.79763448238373, 0.0, 1.0, 0.0, 9.09090900421143, 0.0, 0.0, 1.4119508266449 1.4119508266449, 0.0, 3.1640625, 0.0785674229264259, 0.0, 0.0, 0.0, 1.60000002384186, 0.281063169240952, 0.0294627826660872, 1.0, 0.0, 0.462506860494614, 7.32009077072144, 0.0756222903728485, 3.85575366020203, 0.106373578310013, , 6.33538293838501, 0.690595030784607, 0.0, 3.30191802978516, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.99519336223602, 0.0, 0.193225711584091, 0.0, 1.4388974905014, 0.0, 0.0, 0.0, 0.41897264122963, 0.0, 0.0, 0.0, 0.0, 0.149182513356209, 0.0, 46.5299987792969, 0.0, 0.0609925277531147, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 36.4616661071777, 0.0, 0.0, 18.1835803985596, 0.0, 0.0, 142.0, 0.0, 663.4755859375, 3.0, 0.0, 34.3970108032227, 0.0, 754.069885253906, 0.0, 0.0, 34.5669479370117, 0.0, 0.0, 0.0, 0.0, 0.0, 1014.21484375, 46.0954704284668, 4.45943164825439, 15.0, 822.538330078125, 0.0, 86.0599975585938, 0.0, 465.803527832031, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 8.59385776519775, 0.0, 0.0, 0.400000005960464, 5.03658103942871, 0.0, 0.0, 0.0, 1.10829901695251, 0.0, 4.8707537651062, 2.0, 0.0, 0.0, 0.0, 3.67512702941895, 0.389911323785782, 0.0, 0.0, 0.0, 3.11997675895691, 0.0, 0.0, 0.499897450208664, 0.0, 0.0, 0.0, 1.0, -0.27748766541481, 0.0, 1.42437958717346, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H5N3O3S%2Fc8-7-9-4%283-14-7%295-1-2-6%2813-5%2910%2811%2912%2Fh1-3H%2C%28H2%2C8%2C9%29, 0.0, 2.28916168212891 2.28916168212891, 1.74958980083466, -0.0371492840349674, 1.0, 0.0, 0.0, 2.90863704681396 2.90863704681396, 0.952015101909637, 0.132507562637329, 0.0, 0.0, 3.23302745819092 3.23302745819092, -0.112590871751308, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 72.0, 181.0, 0.765248000621796 0.765248000621796, 0.0, 0.5, 0.0, 0.0, 1.03887152671814 1.03887152671814, 0.0, 0.666666686534882, 1.0, 10.5155553817749, 0.0, 0.0, 0.891359627246857 0.891359627246857, 0.0, 4.24489784240723, 0.235702261328697, 0.0, 0.0, 0.0, 2.34319519996643, 0.321975260972977, 0.159020692110062, 0.0, 0.0, 0.435857951641083, 7.83586072921753, 0.159856364130974, 4.8716835975647, 0.137766435742378, , 2.52506470680237, 0.413168996572495, 0.0, 3.80042028427124, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.74217414855957, 0.0, 0.0328403674066067, 0.0, 1.9956511259079, 0.0, 0.0, 0.0, 1.02717709541321, 0.0, 0.0, 0.0, 0.0, 0.581731975078583, 0.0, , 0.0, 0.307600766420364, 0.0, 0.5, 0.0, 0.0, 0.0, 0.142857149243355, 23.5311241149902, 0.0, 0.0, 20.775426864624, 0.0, 0.0, 310.0, 0.0, 801.843811035156, 1.0, 0.0, 30.74365234375, 0.0, 928.041931152344, 0.0, 0.0, 21.5993919372559, 0.0, 0.0, 0.0, 0.0, 0.0, 1258.33752441406, 20.5513858795166, 4.80735492706299, 16.0, 872.698608398438, 0.0, 302.070007324219, 0.0, 741.372985839844, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.200000002980232, 4.0, 0.0, 10.1293916702271, 0.0, 0.0, 0.5, 6.66470384597778, 0.0, 1.0, 0.0, 1.12200844287872, 0.0, 6.25553274154663, 1.0, 0.0, 1.31037068367004, 0.0, 4.85859775543213, 0.25, 5.69378614425659, 0.0, 0.0, 3.76564860343933, 2.0, 0.0, 0.354995012283325, 0.0, 0.0, 1.0, 2.0, -0.179683208465576, 0.0, 2.46063017845154, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H11NO%2Fc1-6-5-7%2810-2%293-4-8%286%299%2Fh3-5H%2C9H2%2C1-2H3, 0.0, 1.5738000869751 1.5738000869751, 0.786590874195099, 0.00447640102356672, 0.0, 1.0, 0.0, 1.63432478904724 1.63432478904724, 0.232307806611061, -0.000457373913377523, 0.0, 0.0, 2.11185693740845 2.11185693740845, -0.0410887002944946, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 46.0, 88.0, 0.559739589691162 0.559739589691162, 0.0, 0.0, 0.0, 0.0, 0.490197271108627 0.490197271108627, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.502622425556183 0.502622425556183, 0.0, 3.40828394889832, 0.0, 0.0, 0.0, 0.0, 1.99111115932465, 0.0680413842201233, 0.0, 0.0, 0.0, 0.184195280075073, 6.21764945983887, 0.0240562614053488, 3.1390814781189, 0.0477660782635212, , 1.65096366405487, 0.295712292194366, 1.0, 2.22251844406128, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.4769674539566, 0.0, 0.0481125228106976, 0.0, 0.775159418582916, 2.0, 0.0, 0.0, 0.479032725095749, 0.0, 0.0, 0.0, 0.0, 0.183215394616127, 0.0, 35.25, 0.0, 0.0505410879850388, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.1344566345215, 1.0, 0.0, 10.8303689956665, 0.0, 0.0, 117.0, 0.200000002980232, 493.006164550781, 0.0, 0.0, 13.9965543746948, 1.94416129589081, 535.625183105469, 0.0, 0.0, 13.1627397537231, 0.0, 0.0, 0.0, 0.0, 2.40685200691223, 676.755126953125, 6.8303689956665, 4.32192802429199, 12.0, 562.710083007812, 0.0, 351.019989013672, 0.0, 251.54670715332, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 7.56047773361206, 0.0, 0.0, 0.5, 4.73638200759888, 0.0, 0.0, 0.0, 0.675528645515442, 0.0, 4.04189395904541, 0.0, 0.0, 1.65096366405487, 0.0, 3.28412985801697, 0.16666667163372, 5.85380077362061, 0.0, 0.0, 2.02984499931335, 3.0, 0.0, 0.197909101843834, 0.0, 0.0, 0.0, 0.0, -0.102171890437603, 0.0, 1.56730246543884, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3, 0.0, 1.94407677650452 1.94407677650452, 0.977339208126068, -0.0802217423915863, 2.0, 0.0, 0.0, 2.91585254669189 2.91585254669189, 0.250682771205902, 0.165720090270042, 0.0, 0.0, 3.52169752120972 3.52169752120972, -0.0880926698446274, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 56.0, 109.0, 0.610594511032104 0.610594511032104, 0.0, 0.721124768257141, 0.0, 0.0, 0.77232825756073 0.77232825756073, 0.0, 0.0, 0.0, 10.0833330154419, 0.0, 0.0, 0.638434052467346 0.638434052467346, 0.5, 4.296875, 0.0962250456213951, 0.0, 0.0, 0.0, 2.25, 0.219821989536285, 0.0288675129413605, 1.0, 0.0, 0.322104275226593, 6.59691476821899, 0.0621898733079433, 3.43890500068665, 0.0674257501959801, , 0.5, 0.274059772491455, 0.0, 2.29596590995789, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.54469537734985, 0.0, 0.0653902590274811, 0.0, 0.978368282318115, 1.0, 0.0, 0.0, 0.458048462867737, 0.0, 0.0, 0.0, 0.0, 0.147138029336929, 0.0, 83.870002746582, 0.0, 0.0412522330880165, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.4033708572388, 0.0, 0.0, 14.4361352920532, 0.0, 0.0, 193.0, 0.0, 459.26708984375, 0.0, 0.0, 19.4878330230713, 0.908560276031494, 516.851135253906, 0.0, 0.0, 18.183126449585, 0.0, 0.0, 0.0, 0.0, 1.15470051765442, 682.207336425781, 16.5980396270752, 4.58496236801147, 15.0, 559.824462890625, 0.0, 309.059997558594, 0.0, 384.848175048828, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.816496610641479, 0.0, 0.0, 9.13782787322998, 0.0, 0.0, 0.5, 5.66390228271484, 0.0, 0.0, 0.0, 0.84120112657547, 0.0, 4.91503524780273, 0.0, 0.0, 1.31037068367004, 0.0, 3.71449995040894, 0.287863373756409, 2.94168281555176, 2.0, 0.0, 2.96512889862061, 1.0, 1.0, 0.329452127218246, 0.0, 0.0, 0.0, 2.0, -0.152269244194031, 0.0, 1.96538686752319, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H8N2O2%2Fc1-4%287%293-6%282%295-8%2Fh3H2%2C1-2H3, , 0.6910440325737 0.6910440325737, 0.0, -0.0354104600846767, 1.0, 0.0, 0.0, 0.902368903160095 0.902368903160095, 0.0, 0.0175745915621519, , 0.0, 0.666666686534882 0.666666686534882, -0.0552095547318459, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 30.0, 54.0, 0.192995429039001 0.192995429039001, 0.0, 0.200000002980232, 0.0, 0.0, 0.221862941980362 0.221862941980362, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0813052505254745 0.0813052505254745, 0.0, 3.9375, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.91803073883057, 0.0, 2.203693151474, 0.0, , 0.0, 0.285758912563324, 0.0, 1.59942781925201, 0.0, 0.0, , 0.0, , 0.0, 0.590872824192047, 0.0, 0.0, , 0.35110929608345, 2.0, 0.0, 0.0, 0.0406526252627373, , , , 0.0, 0.0, , 49.7400016784668, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 10.2689142227173, 0.0, , 8.57791614532471, 0.0, , 71.0, 0.25, 232.83464050293, 1.0, 0.0, 9.71620559692383, 1.0, 226.687774658203, 0.0, 0.0, 7.55002069473267, 0.0, 0.0, 0.0, , 1.15470051765442, 239.3955078125, 6.38383531570435, 4.0, 6.0, 161.451797485352, 0.0, 169.039993286133, 0.0, 111.816459655762, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 6.56891393661499, , , 0.400000005960464, 3.66390252113342, 0.0, 0.0, 0.0, 0.696923434734344, 1.0, 3.14296913146973, 0.0, 0.0, 0.0, , 1.57069683074951, 0.0, 1.0, 0.0, 0.0, 0.971404492855072, 0.0, 0.0, 0.198614105582237, 0.0, 0.0, 0.0, 2.0, -0.0550663843750954, 1.0, 0.333333343267441, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H16N4O2.HNO2%2Fc1-4-8-7%2812%2911%289-13%296-5-10%282%293%3B2-1-3%2Fh4-6H2%2C1-3H3%2C%28H%2C8%2C12%29%3B%28H%2C2%2C3%29, 0.0, 1.35771071910858 1.35771071910858, 0.813532114028931, 0.140549302101135, 3.0, 0.0, 0.0, 1.60848152637482 1.60848152637482, 0.144337564706802, -0.0649323388934135, 0.0, 0.0, 1.54939234256744 1.54939234256744, -0.080857940018177, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 58.0, -2064771072.0, 0.448965430259705 0.448965430259705, 0.0, 4.24264089815551e-06, 0.0, 0.0, 0.334326267242432 0.334326267242432, 0.0, 0.0, 0.0, 18.3673477172852, 0.0, 0.0, 0.309733420610428 0.309733420610428, 0.333333343267441, 13.0666666030884, 0.0, 0.0, 0.0, 0.0, 13.0, 0.0, 0.0, 2.0, 0.0, 0.0, 9.56831169128418, 0.0, 4.48618602752686, 0.0, , 0.0, 0.431659817695618, 0.0, 2.86405897140503, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.38797616958618, 0.0, 0.0141421351581812, 0.0, 0.695105135440826, 3.0, 0.0, 0.0, 0.382309556007385, 0.0, 0.0, 0.0, 0.0, 0.190034225583076, 0.0, 118.160003662109, 0.0, 0.0474341660737991, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.8978157043457, 0.0, 0.0, 17.515775680542, 0.0, 0.0, 38999998464.0, 0.595275402069092, 550.598815917969, 1.0, 0.0, 18.6257820129395, 2.68779325485229, 558.204833984375, 0.0, 0.0, 17.1003665924072, 0.0, 0.0, 0.0, 0.0, 0.711378633975983, 622.761901855469, 16.6813106536865, 5.0, 14.0, 577.010620117188, 0.0, 721.090026855469, 0.0, 493.133087158203, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 2.0800837319257e-06, 0.0, 0.0, 0.00324445124715567, 0.0, 0.0, 12.9746913909912, 0.0, 0.0, 0.999000012874603, 7.52680444717407, 0.0, 0.0, 0.0, 0.810617208480835, 3.0, 5.61259078979492, 0.0, 0.0, 1.10520946979523, 0.0, 3.18793988227844, 0.117851130664349, 1.31037068367004, 0.0, 0.0, 2.12946438789368, 0.0, 0.0, 0.340104162693024, 0.0, 0.0, 0.0, 2.0, -0.251704394817352, 2.0, 1.14715659618378, 0.0, 0.0, 0.0
-InChI%3D1S%2FC14H9NO2%2Fc15-8-5-6-11-12%287-8%2914%2817%2910-4-2-1-3-9%2810%2913%2811%2916%2Fh1-7H%2C15H2, 0.0, 3.28457951545715 3.28457951545715, 3.33814358711243, -0.015983235090971, 0.0, 0.0, 0.0, 5.63991785049438 5.63991785049438, 2.21820974349976, -0.0367313884198666, 0.0, 0.0, 9.08463096618652 9.08463096618652, -0.139660775661469, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 94.0, 224.0, 1.05785858631134 1.05785858631134, 0.0, 0.200000002980232, 0.0, 0.0, 1.49037802219391 1.49037802219391, 0.0, 0.0, 0.0, 12.055401802063, 0.0, 0.0, 1.90745329856873 1.90745329856873, 0.0, 4.59183692932129, 0.0, 0.0, 0.0, 0.0, 1.96000003814697, 0.188411757349968, 0.0, 0.0, 0.0, 0.421664476394653, 8.93529891967773, 0.0674590393900871, 5.26230764389038, 0.114565081894398, , 10.4148330688477, 0.486962258815765, 1.0, 4.00885343551636, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.94919228553772, 0.0, 0.100592233240604, 0.0, 2.11701822280884, 0.0, 0.0, 0.0, 1.51151514053345, 0.0, 0.0, 0.0, 0.0, 0.826553225517273, 0.0, 60.1599998474121, 0.0, 0.472833603620529, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.9089260101318, 4.0, 0.0, 19.8303699493408, 0.0, 0.0, 452.0, 0.0, 1161.82775878906, 2.0, 0.0, 29.660737991333, 0.0, 1406.08703613281, 0.0, 0.0, 33.9891052246094, 0.0, 0.0, 0.0, 0.0, 0.0, 2061.103515625, 29.6532897949219, 5.08746290206909, 31.0, 2140.14892578125, 0.0, 512.030029296875, 0.0, 1607.01538085938, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 8.0, 0.0, 11.9911994934082, 0.0, 0.0, 0.5, 8.18154048919678, 0.0, 0.0, 0.0, 1.21790635585785, 0.0, 7.57633304595947, 0.0, 0.0, 6.63059282302856, 0.0, 6.79351997375488, 0.425380796194077, 17.832727432251, 0.0, 0.0, 5.83452558517456, 7.0, 0.0, 0.267440468072891, 0.0, 0.0, 0.0, 2.0, -0.0457415208220482, 0.0, 5.05256223678589, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H8N2OS%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2, , 0.492799282073975 0.492799282073975, 0.348461717367172, -0.00900765787810087, 4.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.144337564706802, 0.0120705673471093, , 0.0, 0.492799282073975 0.492799282073975, -0.0241726636886597, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 60.0, 0.182246178388596 0.182246178388596, , 0.0, 0.0, 0.0, 0.280940115451813 0.280940115451813, 0.0, 0.0, 1.0, 6.125, 0.0, 0.0, 0.315659642219543 0.315659642219543, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 5.35584735870361, 0.136930644512177, 3.7470805644989, 0.0612372420728207, , 0.0, 0.100000001490116, 0.0, 2.87243008613586, 0.0, 0.0, , 0.0, , 0.0, 2.04544568061829, 0.0, 0.0, , 1.51918494701385, 0.0, 0.0, 0.0, 1.09478890895844, , , , 0.0, 0.193185165524483, , 57.9700012207031, 0.0, 0.0500000007450581, , 0.0, 0.0, 0.0, , 0.0, 15.6221981048584, 0.0, , 12.585394859314, 0.0, , 64.0, 0.0, 418.847747802734, 0.0, 0.0, 13.5577774047852, 0.0, 436.269897460938, 0.0, 0.0, 10.1100187301636, 0.0, 0.0, 0.0, , 0.0, 484.657897949219, 5.77764797210693, 4.0, 7.0, 328.240112304688, 0.0, 200.039993286133, 0.0, 97.3266677856445, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.81999111175537, , , 0.400000005960464, 3.9318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.91228413581848, 0.0, 0.0, 3.30192732810974, , 2.30209517478943, 0.0, 0.0, 0.0, 0.0, 1.59538793563843, 0.0, 0.0, 0.0928518250584602, 0.0, 0.0, 0.0, 1.0, -0.0431623421609402, 1.0, 1.10517168045044, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H7N3O3%2Fc15-14%2816%2911-5-4-9%2817-11%298-7-12-10-3-1-2-6-13%288%2910%2Fh1-7H, 0.0, 2.82367992401123 2.82367992401123, 2.89882826805115, -0.0704851001501083, 0.0, 0.0, 0.0, 4.23187971115112 4.23187971115112, 1.97235119342804, 0.164999753236771, 0.0, 0.0, 5.29344415664673 5.29344415664673, -0.0837858393788338, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 92.0, 260.0, 0.724245607852936 0.724245607852936, 0.0, 0.5, 0.0, 0.0, 0.964957296848297 0.964957296848297, 0.0, 0.666666686534882, 0.0, 12.055401802063, 0.0, 0.0, 0.964431703090668 0.964431703090668, 0.200000002980232, 4.93827152252197, 0.214076176285744, 0.0, 0.0, 0.0, 2.29072308540344, 0.411054402589798, 0.0628882050514221, 0.0, 0.0, 0.671273171901703, 8.60783767700195, 0.104837149381638, 4.92225551605225, 0.120751820504665, , 2.52506470680237, 0.335732460021973, 0.0, 3.46727204322815, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.44121479988098, 1.0, 0.0592991858720779, 0.0, 1.67827200889587, 0.0, 0.0, 0.0, 0.99939888715744, 0.0, 0.0, 0.0, 0.0, 0.550380885601044, 0.0, 76.2600021362305, 0.0, 0.30786919593811, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.4033718109131, 0.0, 0.0, 21.7682266235352, 0.0, 0.0, 510.0, 0.0, 926.654541015625, 0.0, 0.0, 31.5116806030273, 0.0, 1110.23303222656, 0.0, 0.0, 28.2619762420654, 0.0, 0.0, 0.0, 0.0, 0.0, 1585.07202148438, 24.3769435882568, 5.08746290206909, 24.0, 1339.57861328125, 0.0, 404.059997558594, 0.0, 1113.43127441406, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.577350258827209, 7.0, 0.0, 11.8280630111694, 0.0, 0.0, 0.444444447755814, 8.25401973724365, 0.0, 0.0, 0.0, 1.10549890995026, 0.0, 7.52682495117188, 0.0, 0.0, 6.86643552780151, 0.0, 6.45066022872925, 0.358304977416992, 10.1808624267578, 1.0, 0.0, 5.41139984130859, 7.0, 1.0, 0.404474496841431, 0.0, 0.0, 1.0, 2.0, -0.208380743861198, 0.0, 4.00326442718506, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12N2O%2Fc1-6-4-2-3-5-8%286%297-9%2Fh6H%2C2-5H2%2C1H3%2Ft6-%2Fm0%2Fs1, , 1.06903564929962 1.06903564929962, 0.469913214445114, 0.0252738296985626, 4.0, 0.0, , 1.40829122066498 1.40829122066498, 0.176776692271233, -0.0169413592666388, , , 1.30473780632019 1.30473780632019, -0.00701768137514591, , 0.0, 0.666666686534882, , , , 40.0, 67.0, 0.570301592350006 0.570301592350006, , 0.0, , 0.0, 0.625612914562225 0.625612914562225, 0.0, 0.0, , 7.11111116409302, 0.0, , 0.617442071437836 0.617442071437836, 0.0, 3.23966932296753, 0.0, 0.0, , 0.0, 1.70414197444916, 0.0833333358168602, 0.0, 0.0, 0.0, 0.142258897423744, 5.7084527015686, 0.0645497217774391, 3.44259929656982, 0.0934172347187996, , 0.0, 0.264223843812943, 0.0, 2.58952522277832, 0.0, 0.0, , 0.0, , 0.0, 1.87278091907501, 0.0, 0.0577350258827209, , 1.20425724983215, 1.0, 0.0, , 0.766185581684113, , , , 0.0, 0.223913550376892, , 32.6699981689453, 0.0, 0.0524377413094044, , 0.0, 0.0, 0.0, , 0.0, 10.4944448471069, 0.0, , 10.2458248138428, 0.0, , 86.0, 0.0, 398.915283203125, 0.0, 0.0, 12.3843927383423, 1.3731781244278, 430.057098388672, 0.0, 0.0, 11.3289251327515, 0.0, 0.0, , , 1.0, 518.270385742188, 6.16246128082275, 4.16992521286011, 10.0, 402.396820068359, , 369.029998779297, 0.0, 145.331512451172, 0.0, , , 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 4.0, , 6.69023466110229, , , 0.400000005960464, 4.3425350189209, 0.0, 0.0, 0.0, 0.402368932962418, 1.0, 3.43006896972656, 1.0, 0.0, 3.96540641784668, , 2.81349611282349, 0.117851130664349, 2.14913988113403, 0.0, , 1.99955224990845, 0.0, 0.0, 0.0560911558568478, 0.0, 0.0, 0.0, 1.0, -0.0289624854922295, 1.0, 1.20977282524109, , , 0.0
-InChI%3D1S%2FC12H10Cl2N2%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%2Fh1-6H%2C15-16H2, 0.0, 3.11453151702881 3.11453151702881, 2.18593811988831, -0.0716841965913773, 0.0, 0.0, 2.0, 3.48781371116638 3.48781371116638, 1.32471287250519, 0.0310735199600458, 0.0, 0.0, 4.9586329460144 4.9586329460144, 0.00676789786666632, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 82.0, 230.0, 1.29506874084473 1.29506874084473, 0.0, 0.0, 0.0, 0.0, 1.27869057655334 1.27869057655334, 0.0, 0.0, 0.0, 12.4567470550537, 0.0, 0.0, 1.53364551067352 1.53364551067352, 0.0, 5.10416650772095, 0.0, 0.0, 0.0, 0.0, 2.83111119270325, 0.136082768440247, 0.0, 0.0, 0.0, 0.350732952356339, 9.88658905029297, 0.0481125228106976, 5.43731164932251, 0.106388509273529, , 5.26933193206787, 0.660660147666931, 2.0, 4.28698444366455, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.98888921737671, 0.0, 0.136886715888977, 0.0, 1.7744802236557, 0.0, 0.0, 0.0, 1.23432004451752, 0.0, 0.0, 0.0, 0.0, 0.65843939781189, 0.0, 52.0400009155273, 0.111111111938953, 0.351151168346405, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.1454849243164, 2.0, 0.0, 21.2358455657959, 0.0, 0.0, 440.0, 0.0, 1160.93017578125, 0.0, 0.0, 32.4716911315918, 0.0, 1333.83264160156, 0.0, 0.0, 37.3562355041504, 0.0, 0.0, 0.0, 0.0, 0.0, 1811.68762207031, 24.1393203735352, 5.0, 24.0, 1717.30029296875, 0.0, 489.040008544922, 0.0, 1185.3466796875, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 11.7067422866821, 0.0, 0.0, 0.444444447755814, 7.57538747787476, 0.0, 0.0, 0.0, 1.27614235877991, 0.0, 7.05539989471436, 0.0, 0.0, 5.46963167190552, 0.0, 5.94414329528809, 0.416666656732559, 15.0080585479736, 0.0, 0.0, 4.03467750549316, 6.0, 0.0, 0.147421211004257, 0.0, 0.0, 0.0, 0.0, -0.0306154899299145, 0.0, 3.39886808395386, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H, , 0.0 0.0, 0.0, 0.0, 0.0, , , 0.0 0.0, 0.0, 0.0, , , 0.0 0.0, 0.0, , 0.0, 0.0, , , , 24.0, 36.0, 0.0 0.0, , 0.0, , 0.0, 0.0 0.0, 0.0, 0.0, , 4.16666650772095, 0.0, , 0.0 0.0, 0.0, 2.22222232818604, 0.0, 0.0, , 0.0, 1.33333337306976, 0.125, 0.0, , 0.0, 0.0, 3.46410155296326, 0.0370370373129845, 2.0, 0.0, , 0.0, 0.0, 0.0, 1.15470051765442, 0.0, 0.0, , 0.0, , 0.0, 0.666666686534882, 0.0, 0.0, , 0.38490018248558, 0.0, 0.0, , 0.222222223877907, , , , 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 6.0, 0.0, , 6.0, 0.0, , 27.0, 0.0, 233.878387451172, 0.0, 0.0, 6.0, 0.0, 233.878387451172, 0.0, 0.0, 3.0, 0.0, , , , 0.0, 233.878387451172, 0.0, 3.58496260643005, 3.0, 116.939193725586, , 114.0, 0.0, 0.0, 0.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 4.24264049530029, , , 0.0, 3.0, 0.0, 0.0, , 0.0, , 2.12132024765015, 0.0, 0.0, 9.12546539306641, , 1.5, 0.0, 0.0, , , 1.06066012382507, 6.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.75, , , 0.0
-InChI%3D1S%2FC11H11N5%2Fc1-6-5-13-7-3-4-8-10%289%287%2914-6%2915-11%2812%2916%288%292%2Fh3-5H%2C1-2H3%2C%28H2%2C12%2C15%29, 0.0, 3.26379370689392 3.26379370689392, 3.23006272315979, 0.0178938657045364, 0.0, 0.0, 0.0, 5.12007713317871 5.12007713317871, 2.27184391021729, 0.0129314642399549, 0.0, 0.0, 7.59804582595825 7.59804582595825, 0.0271307341754436, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 90.0, 197.0, 1.09627652168274 1.09627652168274, 0.0, 0.0, 0.0, 0.0, 1.42181015014648 1.42181015014648, 0.0, 0.0, 0.0, 11.1111106872559, 0.0, 0.0, 1.67777323722839 1.67777323722839, 0.0, 4.03292179107666, 0.0785674229264259, 0.0, 0.0, 0.0, 1.76454293727875, 0.381648242473602, 0.0279508493840694, 0.0, 0.0, 0.715386986732483, 9.07369136810303, 0.107306219637394, 5.02280521392822, 0.158119574189186, , 6.63197565078735, 0.544305682182312, 0.0, 3.87142848968506, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.75342798233032, 2.0, 0.104772321879864, 0.0, 1.88050019741058, 2.0, 0.0, 0.0, 1.29223620891571, 0.0, 0.0, 0.0, 0.0, 0.734294235706329, 0.0, 64.9000015258789, 0.0, 0.419887095689774, 0.0, 0.766309440135956, 0.0, 0.0, 0.0, 0.5, 17.7999401092529, 0.0, 0.0, 19.6618518829346, 0.0, 0.0, 390.0, 0.142857149243355, 1097.794921875, 1.0, 0.0, 29.9080028533936, 1.44903707504272, 1326.95532226562, 0.0, 0.0, 29.8803844451904, 0.0, 0.0, 0.0, 0.0, 3.57098054885864, 1971.12048339844, 22.0494575500488, 5.0, 27.0, 1862.20043945312, 0.0, 601.049987792969, 0.0, 1333.93005371094, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.908560276031494, 0.0, 0.0, 0.877205312252045, 7.0, 0.0, 11.2840929031372, 0.0, 0.0, 0.428571432828903, 7.66470384597778, 0.0, 1.0, 0.0, 1.29174244403839, 0.0, 7.31932067871094, 0.0, 0.0, 1.31037068367004, 0.0, 6.49783277511597, 0.393802672624588, 6.98857831954956, 2.0, 0.0, 5.37681531906128, 3.0, 0.0, 0.292482435703278, 0.0, 0.0, 0.0, 0.0, -0.197185978293419, 1.0, 4.59739637374878, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H14N5O4%2Fc1-5-3-15%2810%2818%2912-9%285%2917%298-2-6%2813-14-11%297%284-16%2919-8%2Fh3%2C6-8%2C11%2C16H%2C2%2C4H2%2C1H3%2C%28H%2C12%2C17%2C18%29%2Ft6-%2C7%3F%2C8%2B%2Fm0%2Fs1, 0.0, 3.3739595413208 3.3739595413208, 2.82198524475098, 0.203167974948883, 3.0, 1.0, 0.0, 4.89469480514526 4.89469480514526, 1.7262749671936, -0.339571058750153, 0.0, 0.0, 6.84427261352539 6.84427261352539, 0.292411744594574, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 96.0, 297.0, 1.45425498485565 1.45425498485565, 0.0, 0.474957138299942, 0.0, 0.0, 1.73683166503906 1.73683166503906, 0.0, 0.721124768257141, 0.0, 15.3900003433228, 0.0, 0.0, 1.97303116321564 1.97303116321564, 0.0, 6.63520431518555, 0.0962250456213951, 0.0, 0.0, 0.0, 3.36596059799194, 0.247193872928619, 0.0555555559694767, 2.0, 0.0, 0.512934267520905, 10.3205289840698, 0.115326426923275, 6.0381007194519, 0.175484985113144, , 5.18607664108276, 0.723338425159454, 0.0, 4.82135581970215, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.52213859558105, 0.0, 0.128119871020317, 0.0, 2.35694074630737, 1.0, 0.0, 0.0, 1.54416394233704, 0.0, 0.0, 0.0, 0.0, 0.870415389537811, 0.0, 94.3899993896484, 0.0, 0.480174958705902, 0.0, 1.19055080413818, 0.0, 0.0, 0.0, 0.16666667163372, 23.8978157043457, 1.0, 0.0, 23.3775482177734, 0.0, 0.0, 701.0, 0.0, 1031.94458007812, 1.0, 0.0, 33.5914115905762, 0.727928221225739, 1212.46374511719, 0.0, 0.0, 35.3109855651855, 0.0, 0.0, 0.0, 0.0, 1.85314404964447, 1704.67736816406, 32.7803611755371, 5.24792766571045, 29.0, 1620.72717285156, 0.0, 1027.08996582031, 0.0, 1349.833984375, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.863054394721985, 0.0, 0.0, 0.877205312252045, 3.0, 0.0, 13.9911994934082, 0.0, 0.0, 0.5, 9.06208038330078, 0.0, 1.0, 0.0, 1.34318959712982, 1.0, 8.0156774520874, 5.0, 0.0, 0.843432664871216, 0.0, 6.75683355331421, 0.414266437292099, 7.08683633804321, 0.0, 0.0, 5.37730884552002, 0.0, 0.0, 0.639687299728394, 0.0, 0.0, 0.0, 1.0, -0.366695046424866, 1.0, 4.12649345397949, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H7Cl2NO3%2Fc13-8-1-6-12%2811%2814%297-8%2918-10-4-2-9%283-5-10%2915%2816%2917%2Fh1-7H, 0.0, 2.78576731681824 2.78576731681824, 2.30855226516724, -0.0794994905591011, 0.0, 1.0, 2.0, 3.45401000976562 3.45401000976562, 1.36995851993561, 0.0107247615233064, 0.0, 0.0, 4.3356409072876 4.3356409072876, -0.103382162749767, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 90.0, 316.0, 0.91360330581665 0.91360330581665, 0.0, 0.5, 0.0, 0.0, 1.06673061847687 1.06673061847687, 0.0, 0.333333343267441, 0.0, 14.4099721908569, 0.0, 0.0, 1.11805987358093 1.11805987358093, 0.0, 6.43787002563477, 0.0, 0.0, 0.0, 0.0, 3.99583768844604, 0.151374712586403, 0.0, 0.0, 0.0, 0.291233360767365, 10.4811973571777, 0.0518340393900871, 5.69029808044434, 0.0881382301449776, , 3.08133912086487, 0.591416001319885, 0.0, 4.27145290374756, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.69974112510681, 0.0, 0.0509984381496906, 0.0, 1.76791286468506, 0.0, 0.0, 0.0, 1.06872153282166, 0.0, 0.0, 0.0, 0.0, 0.533206284046173, 0.0, 55.0499992370605, 0.0, 0.22688926756382, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 36.1089019775391, 0.0, 0.0, 24.8407764434814, 0.0, 0.0, 667.0, 0.0, 1047.96740722656, 0.0, 0.0, 36.9063415527344, 0.0, 1191.30029296875, 0.0, 0.0, 38.7280426025391, 0.0, 0.0, 0.0, 0.0, 0.0, 1572.40515136719, 34.7267036437988, 5.16992521286011, 25.0, 1460.42578125, 0.0, 370.059997558594, 0.0, 1075.4404296875, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 13.1209554672241, 0.0, 0.0, 0.454545468091965, 8.55855083465576, 0.0, 0.0, 0.0, 1.39516818523407, 0.0, 7.91611242294312, 0.0, 0.0, 6.39426708221436, 0.0, 6.07945203781128, 0.284517794847488, 13.0106897354126, 0.0, 0.0, 4.59700202941895, 7.0, 0.0, 0.315886288881302, 0.0, 0.0, 0.0, 2.0, -0.0732816904783249, 0.0, 3.56158638000488, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H4N4O3S%2Fc7-6-9-8-5%2814-6%293-1-2-4%2813-3%2910%2811%2912%2Fh1-2H%2C%28H2%2C7%2C9%29, 0.0, 2.28916168212891 2.28916168212891, 1.74958980083466, -0.0940616503357887, 0.0, 0.0, 0.0, 2.90863704681396 2.90863704681396, 0.952015101909637, 0.200155526399612, 0.0, 0.0, 3.23302745819092 3.23302745819092, -0.149902477860451, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 72.0, 181.0, 0.843146443367004 0.843146443367004, 0.0, 0.5, 0.0, 0.0, 1.00929236412048 1.00929236412048, 0.0, 0.666666686534882, 1.0, 10.5155553817749, 0.0, 0.0, 0.88441014289856 0.88441014289856, 0.0, 4.24489784240723, 0.235702261328697, 0.0, 0.0, 0.0, 2.34319519996643, 0.321975260972977, 0.122409038245678, 0.0, 0.0, 0.435857951641083, 7.62875413894653, 0.123244717717171, 4.55451631546021, 0.120738692581654, , 2.52506470680237, 0.487883627414703, 0.0, 3.64481949806213, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.52707648277283, 0.0, 0.0504507720470428, 0.0, 1.73256599903107, 0.0, 0.0, 0.0, 0.890213429927826, 0.0, 0.0, 0.0, 0.0, 0.497245490550995, 0.0, , 0.0, 0.238484591245651, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.142857149243355, 23.89111328125, 0.0, 0.0, 21.1354160308838, 0.0, 0.0, 310.0, 0.0, 806.787658691406, 1.0, 0.0, 33.0233001708984, 0.0, 940.199157714844, 0.0, 0.0, 24.183687210083, 0.0, 0.0, 0.0, 0.0, 0.0, 1273.8134765625, 20.3844223022461, 4.80735492706299, 16.0, 884.077758789062, 0.0, 259.079986572266, 0.0, 739.492919921875, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.365148365497589, 3.0, 0.0, 10.1293916702271, 0.0, 0.0, 0.5, 6.66470384597778, 0.0, 2.0, 0.0, 1.12200844287872, 0.0, 6.25553274154663, 1.0, 0.0, 1.0, 0.0, 4.85859775543213, 0.25, 3.69772696495056, 0.0, 0.0, 3.76564860343933, 2.0, 0.0, 0.360232084989548, 0.0, 0.0, 1.0, 2.0, -0.161643043160439, 0.0, 2.46063017845154, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC4H9NO2%2Fc1-4%282%293-7-5-6%2Fh4H%2C3H2%2C1-2H3, 0.0, 0.288675129413605 0.288675129413605, 0.0, 0.0365481041371822, 1.0, 1.0, 0.0, 0.20412415266037 0.20412415266037, 0.0, -0.0186936315149069, 0.0, 0.0, 0.20412415266037 0.20412415266037, -0.00326011050492525, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 24.0, 47.0, 0.16666667163372 0.16666667163372, 0.0, 0.0, 0.0, 0.0, 0.0745356008410454 0.0745356008410454, 0.0, 0.5, 0.0, 7.0, 0.0, 0.0, 0.0304290316998959 0.0304290316998959, 0.0, 4.16666650772095, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.54816722869873, 0.0, 2.21677231788635, 0.0, , 0.0, 0.40824830532074, 0.0, 1.76414859294891, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.460573554039001, 0.0, 0.0, 0.0, 0.179500222206116, 2.0, 0.0, 0.0, 0.0608580633997917, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 38.6599998474121, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.90892601013184, 1.0, 0.0, 7.43902397155762, 0.0, 0.0, 52.0, 0.5, 183.268737792969, 0.0, 0.0, 7.27274608612061, 1.0, 170.179931640625, 0.0, 0.0, 5.16246128082275, 0.0, 0.0, 0.0, 0.0, 2.0, 160.31867980957, 3.66446256637573, 3.80735492706299, 4.0, 91.6969985961914, 0.0, 183.029998779297, 0.0, 56.0203437805176, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.69867038726807, 0.0, 0.0, 0.400000005960464, 3.27005553245544, 0.0, 0.0, 0.0, 0.40824830532074, 1.0, 2.53607535362244, 1.0, 0.0, 0.0, 0.0, 1.13502776622772, 0.0, 1.0, 0.0, 0.0, 0.61237245798111, 0.0, 0.0, 0.0988028720021248, 0.0, 0.0, 0.0, 1.0, -0.0633709132671356, 0.0, 0.40824830532074, 0.0, 0.0, 0.0
-InChI%3D1S%2FC19H16ClNO4%2Fc1-11-15%2810-18%2822%2923%2916-9-14%2825-2%297-8-17%2816%2921%2811%2919%2824%2912-3-5-13%2820%296-4-12%2Fh3-9H%2C10H2%2C1-2H3%2C%28H%2C22%2C23%29, 0.0, 4.39021587371826 4.39021587371826, 4.59121513366699, 0.0682910978794098, 1.0, 1.0, 1.0, 7.28361701965332 7.28361701965332, 3.35522675514221, -0.00126855191774666, 0.0, 0.0, 11.1981191635132 11.1981191635132, -0.08749920129776, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 132.0, 476.0, 1.73515093326569 1.73515093326569, 0.0, 0.650697648525238, 0.0, 0.0, 2.40792798995972 2.40792798995972, 0.0, 0.428571432828903, 0.0, 19.7530860900879, 0.0, 0.0, 3.06492352485657 3.06492352485657, 0.0, 8.34714031219482, 0.0641500279307365, 0.0, 0.0, 0.0, 4.13527965545654, 0.38864454627037, 0.0279508493840694, 1.0, 0.0, 0.748911738395691, 14.5016241073608, 0.145799413323402, 7.99850225448608, 0.242127001285553, , 11.2252759933472, 0.843362152576447, 0.0, 6.10144996643066, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.41613006591797, 2.0, 0.154391571879387, 0.0, 3.07299280166626, 2.0, 0.0, 0.0, 2.19519186019897, 0.0, 0.0, 0.0, 0.0, 1.25353848934174, 0.0, 68.5299987792969, 0.0, 0.734914183616638, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 36.1706161499023, 3.0, 0.0, 31.1107521057129, 0.0, 0.0, 1424.0, 0.142857149243355, 1775.18432617188, 2.0, 0.0, 46.7227973937988, 3.0236599445343, 2132.3857421875, 0.0, 0.0, 49.3911361694336, 0.0, 0.0, 0.0, 0.0, 4.29891729354858, 3125.224609375, 47.6015815734863, 5.64385604858398, 42.0, 3246.91259765625, 0.0, 1249.06005859375, 0.0, 2944.19750976562, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 18.1374645233154, 0.0, 0.0, 0.5, 11.9179229736328, 0.0, 0.0, 0.0, 1.97197377681732, 0.0, 11.0239744186401, 0.0, 0.0, 7.02961397171021, 0.0, 9.1226167678833, 0.459564566612244, 21.5080966949463, 0.0, 0.0, 7.65443181991577, 7.0, 1.0, 0.592713356018066, 0.0, 0.0, 0.0, 2.0, -0.310384511947632, 0.0, 6.51950645446777, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H13ClN6%2Fc1-4-12-7-13-6%2810%2914-8%2815-7%2916-9%282%2C3%295-11%2Fh4H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29, 0.0, 2.39749026298523 2.39749026298523, 1.90850913524628, 0.345910608768463, 1.0, 0.0, 1.0, 3.52449893951416 3.52449893951416, 0.875172734260559, -0.34142929315567, 0.0, 0.0, 3.75694727897644 3.75694727897644, 0.174907580018044, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 76.0, 214.0, 0.906518399715424 0.906518399715424, 0.0, 0.0, 0.0, 0.0, 1.14153695106506 1.14153695106506, 0.0, 0.0, 0.0, 14.0625, 0.0, 0.0, 1.02706205844879 1.02706205844879, 0.0, 6.07438039779663, 0.0, 0.0, 0.0, 0.0, 4.81663513183594, 0.0680413842201233, 0.0, 0.0, 1.0, 0.164266422390938, 10.3901281356812, 0.020833333954215, 5.5685772895813, 0.0433563962578773, , 1.5, 1.04173386096954, 0.0, 4.39143514633179, 0.0, 0.944940805435181, 0.0, 0.125, 0.0, 0.0, 2.19350671768188, 0.0, 0.0, 0.0, 1.47768831253052, 3.0, 0.0, 0.0, 0.838843941688538, 0.0, 0.0, 0.0, 0.0, 0.592630088329315, 0.0, 84.2699966430664, 0.0, 0.202830567955971, 0.0, 0.968096256256104, 0.0, 0.0, 0.0, 0.0, 25.8726825714111, 1.0, 0.0, 19.7797756195068, 0.0, 0.0, 456.0, 0.595275402069092, 965.335815429688, 1.0, 0.0, 30.235387802124, 1.76032793521881, 1074.71862792969, 1.0, 0.0, 26.4238719940186, 0.0, 1.0, 0.0, 0.0, 2.13413596153259, 1408.24291992188, 28.9024486541748, 5.0, 20.0, 1277.3681640625, 0.0, 849.070007324219, 1.56827390193939, 1132.23889160156, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 4.0612621307373, 0.0, 0.0, 0.0, 0.0, 0.0, 12.1817979812622, 0.0, 0.0, 0.444444447755814, 7.46465682983398, 0.0, 4.0, 0.0, 1.90403020381927, 1.0, 7.05489540100098, 2.0, 0.25, 0.142857149243355, 0.0, 4.63336229324341, 0.0, 1.63976919651031, 0.0, 0.0, 3.63458013534546, 0.0, 0.0, 0.453916877508163, 0.0, 0.816496610641479, 0.0, 0.0, -0.367327481508255, 0.0, 2.39183592796326, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H4O2%2Fc4-3-1-2-5-3%2Fh1-2H2, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0507485680282116, 2.0, 1.0, 0.0, 0.0 0.0, 0.0, -0.0431030578911304, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 22.0, 23.0, 0.0833333358168602 0.0833333358168602, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.5, 0.0, 3.20000004768372, 0.20412415266037, 0.0, 0.0 0.0, 0.0, 1.0, 0.20412415266037, 0.0, 0.0, 0.102062076330185, 0.444444447755814, 0.0, 0.0416666679084301, 0.0, 0.0, 0.0, 2.73071002960205, 0.0, 1.55047678947449, 0.0, , 0.0, 0.0589255653321743, 0.0, 0.970470190048218, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.569235920906067, 0.0, 0.0, 0.0, 0.0833333358168602, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.2999992370605, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.54893827438354, 0.0, 0.0, 5.99627590179443, 0.0, 0.0, 16.0, 0.0, 102.42520904541, 1.0, 0.0, 5.43865299224854, 0.0, 106.721130371094, 0.0, 0.0, 1.33209192752838, 0.0, 0.0, 0.0, 0.0, 0.0, 77.1804733276367, 0.0, 3.32192802429199, 1.0, 15.5250473022461, 0.0, 61.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 3.69867062568665, 0.0, 0.0, 0.333333343267441, 2.3938467502594, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 2.03607535362244, 0.0, 0.0, 1.0, 0.0, 1.39384686946869, 0.0, 1.41421353816986, 0.0, 0.0, 0.40824830532074, 0.0, 0.0, 0.279180258512497, 0.0, 0.0, 0.0, 1.0, -0.147235631942749, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H13N3O%2Fc14-12-13-7-2-1-5-10%2813%299-4-3-6-11-8-9%2Fh3-4%2C6%2C8%2C10H%2C1-2%2C5%2C7H2, , 1.42949759960175 1.42949759960175, 1.60593521595001, 0.0293221510946751, 4.0, 0.0, 0.0, 2.47093868255615 2.47093868255615, 1.0577198266983, -0.0399108082056046, , 0.0, 3.28537702560425 3.28537702560425, 0.0361494123935699, , 0.0, 0.75, 0.0, 0.0, 0.0, 68.0, 164.0, 0.674624979496002 0.674624979496002, 0.0, 0.0, 0.0, 0.0, 0.988320231437683 0.988320231437683, 0.0, 0.0, 0.0, 10.5155553817749, 0.0, 0.0, 1.13762044906616 1.13762044906616, 0.0, 5.18559551239014, 0.0, 0.0, 0.0, 0.0, 2.53439998626709, 0.185395404696465, 0.0, 0.0, 0.0, 0.165963649749756, 7.9650673866272, 0.0893949195742607, 4.91433906555176, 0.0754867568612099, , 1.0, 0.26916179060936, 0.0, 3.54266023635864, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.64860916137695, 0.0, 0.0592965446412563, , 1.9258975982666, 0.0, 0.0, 0.0, 1.35407280921936, 0.0, , , 0.0, 0.594136595726013, 0.0, 45.560001373291, 0.0, 0.330793380737305, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.8544330596924, 1.0, 0.0, 16.5781955718994, 0.0, , 295.0, 0.0, 787.172546386719, 0.0, 0.0, 20.7167625427246, 0.0, 897.375, 0.0, 0.0, 20.9936656951904, 0.0, 0.0, 0.0, , 0.0, 1167.22265625, 18.1871910095215, 4.80735492706299, 19.0, 1099.17687988281, 0.0, 602.039978027344, 0.0, 807.296020507812, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 3.0, 0.0, , 0.0, 0.200000002980232, 0.0, 0.0, 1.0, 6.0, 0.0, 9.80311870574951, , , 0.428571432828903, 6.91501474380493, 0.0, 0.0, 0.0, 0.469416111707687, 1.0, 5.51472949981689, 1.0, 0.0, 9.53586959838867, 0.0, 4.74757766723633, 0.136082768440247, 7.35996675491333, 1.0, 0.0, 3.92613959312439, 4.0, 0.0, 0.121116921305656, 0.0, 0.0, 0.0, 1.0, -0.0618234314024448, 1.0, 3.11477899551392, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H8N4%2Fc11-8-5-4-7-10%2813-8%2914-6-2-1-3-9%2814%2912-7%2Fh1-6H%2C%28H2%2C11%2C13%29, 0.0, 2.1363730430603 2.1363730430603, 2.7225456237793, 0.0858691334724426, 6.0, 0.0, 0.0, 3.67258810997009 3.67258810997009, 1.9376163482666, -0.0481136068701744, 0.0, 0.0, 5.36710071563721 5.36710071563721, 0.00713324500247836, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 78.0, 166.0, 0.833893179893494 0.833893179893494, 0.0, 0.0, 0.0, 0.0, 1.28761970996857 1.28761970996857, 0.0, 0.0, 0.0, 9.2421875, 0.0, 0.0, 1.66501545906067 1.66501545906067, 0.0, 3.53875231742859, 0.0785674229264259, 0.0, 0.0, 0.0, 1.546875, 0.37359693646431, 0.025000000372529, 0.0, 0.0, 0.648104131221771, 8.1370677947998, 0.152684703469276, 5.27131509780884, 0.204293206334114, , 2.80396580696106, 0.373114615678787, 0.0, 4.03563022613525, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.03204846382141, 0.0, 0.0624419040977955, 0.0, 2.30143904685974, 0.0, 0.0, 0.0, 1.7593674659729, 0.0, 0.0, 0.0, 0.0, 0.964741766452789, 0.0, 53.7000007629395, 0.0, 0.627107620239258, 0.0, 0.63245552778244, 0.0, 0.0, 0.0, 0.25, 15.4399518966675, 0.0, 0.0, 17.3294811248779, 0.0, 0.0, 272.0, 0.0, 878.319519042969, 1.0, 0.0, 25.5756320953369, 0.0, 1048.50622558594, 0.0, 0.0, 23.1880264282227, 0.0, 0.0, 0.0, 0.0, 0.0, 1510.97058105469, 16.3570995330811, 4.80735492706299, 21.0, 1335.88134765625, 0.0, 718.039978027344, 0.0, 908.9033203125, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 2.0, 1.0, 6.0, 0.0, 9.54360580444336, 0.0, 0.0, 0.428571432828903, 6.84333658218384, 0.0, 1.0, 0.0, 0.894173979759216, 0.0, 6.28625202178955, 0.0, 0.0, 5.41658639907837, 0.0, 5.43360376358032, 0.191638320684433, 8.90622711181641, 2.0, 0.0, 4.78612565994263, 0.0, 1.0, 0.229221642017365, 0.0, 0.0, 0.0, 0.0, -0.166599407792091, 0.0, 4.15251350402832, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H5NO2%2Fc3-1-2%284%295%2Fh1%2C3H2%2C%28H%2C4%2C5%29, 0.0, 0.40824830532074 0.40824830532074, 0.0, -0.0849447548389435, 1.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.049066536128521, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.0372678004205227 0.0372678004205227, 0.0, 0.5, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 1.0, 0.0, 0.0, 2.63991904258728, 0.0, 1.18953263759613, 0.0, , 0.0, 0.0645497217774391, 1.0, 0.597862660884857, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.174620419740677, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 63.3199996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.90892601013184, 0.0, 0.0, 4.8303689956665, 0.0, 0.0, 18.0, 0.0, 96.9404983520508, 1.0, 0.0, 5.60483837127686, 0.0, 84.3220977783203, 0.0, 0.0, 3.10693192481995, 0.0, 0.0, 0.0, 0.0, 0.0, 72.0672760009766, 0.0, 3.32192802429199, 2.0, 30.919132232666, 0.0, 61.0299987792969, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 0.0, 0.0, 0.0, 0.40824830532074, 0.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.25019508600235, 0.0, 0.0, 0.0, 1.0, -0.089219331741333, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H11N3%2Fc1-11%282%2910-9-8-6-4-3-5-7-8%2Fh3-7H%2C1-2H3%2Fb10-9%2B, 0.0, 0.721687853336334 0.721687853336334, 0.739859580993652, -0.00304825906641781, 0.0, 0.0, 0.0, 0.760310351848602 0.760310351848602, 0.421097666025162, -0.0642756372690201, 0.0, 0.0, 0.953232765197754 0.953232765197754, 0.0209413077682257, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 48.0, 120.0, 0.208842352032661 0.208842352032661, 0.0, 0.0, 0.0, 0.0, 0.172654092311859 0.172654092311859, 0.0, 0.0, 0.0, 9.09090900421143, 0.0, 0.0, 0.178267031908035 0.178267031908035, 0.0, 4.79289960861206, 0.0, 0.0, 0.0, 0.0, 3.78698229789734, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 6.72839212417603, 0.0320750139653683, 3.42871761322021, 0.0143443830311298, , 0.0, 0.274535596370697, 0.0, 2.37220549583435, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.09527039527893, 0.0, 0.0, 0.0, 0.635743260383606, 2.0, 0.0, 0.0, 0.413724303245544, 0.0, 0.0, 0.0, 0.0, 0.127752721309662, 0.0, 27.9599990844727, 0.0, 0.0571946054697037, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.079963684082, 0.0, 0.0, 12.2185316085815, 0.0, 0.0, 174.0, 0.5, 495.442016601562, 0.0, 0.0, 14.1909141540527, 1.73832869529724, 518.685913085938, 0.0, 0.0, 11.1632966995239, 0.0, 0.0, 0.0, 0.0, 0.5, 597.084777832031, 7.83092641830444, 4.45943164825439, 10.0, 465.837310791016, 0.0, 374.029998779297, 0.0, 317.494873046875, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.41421353816986, 6.0, 0.0, 8.10444831848145, 0.0, 0.0, 0.428571432828903, 5.2876935005188, 0.0, 0.0, 0.0, 0.61237245798111, 2.0, 4.47523307800293, 0.0, 0.0, 6.08364343643188, 0.0, 2.87701010704041, 0.0, 3.04182171821594, 0.0, 0.0, 2.04485034942627, 5.0, 0.0, 0.106236204504967, 0.0, 0.0, 0.0, 0.0, -0.0195449460297823, 1.0, 1.65869188308716, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H17NO2%2Fc10-7-9%286-8%2811%2912%294-2-1-3-5-9%2Fh1-7%2C10H2%2C%28H%2C11%2C12%29, 0.0, 1.79064047336578 1.79064047336578, 0.817513883113861, 0.0143602387979627, 7.0, 0.0, 0.0, 3.11923670768738 3.11923670768738, 0.40129292011261, 0.00916536804288626, 0.0, 0.0, 3.09226155281067 3.09226155281067, -0.0866198390722275, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 56.0, 108.0, 1.35362613201141 1.35362613201141, 0.0, 0.5, 0.0, 0.0, 1.95459342002869 1.95459342002869, 0.0, 0.0, 0.0, 10.0833330154419, 0.0, 0.0, 1.57940626144409 1.57940626144409, 0.0, 4.296875, 0.0, 1.0, 0.0, 0.0, 2.77777767181396, 0.0883883461356163, 0.0, 1.0, 0.0, 0.125, 7.38255977630615, 0.0883883461356163, 4.60374641418457, 0.125, , 0.0, 0.771656513214111, 1.0, 3.83529949188232, 0.0, 0.5, 0.0, 0.125, 0.0, 0.0, 2.87345194816589, 0.0, 0.0, 0.0, 2.07564449310303, 0.0, 0.0, 0.0, 1.36618435382843, 0.0, 0.0, 0.0, 0.0, 0.54738312959671, 0.0, 63.3199996948242, 0.0, 0.210281640291214, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.9089260101318, 0.0, 0.0, 12.8303689956665, 0.0, 0.0, 193.0, 0.0, 660.860717773438, 1.0, 0.0, 17.6048374176025, 0.0, 736.605102539062, 1.0, 0.0, 16.1627388000488, 0.0, 0.0, 0.0, 0.0, 0.0, 968.069641113281, 15.4911079406738, 4.58496236801147, 15.0, 841.606750488281, 0.0, 709.030029296875, 0.0, 548.79931640625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 9.02709770202637, 0.0, 0.0, 0.5, 5.68426895141602, 0.0, 0.0, 0.0, 1.11535501480103, 0.0, 5.01218461990356, 0.0, 0.125, 9.98957538604736, 0.0, 3.50547456741333, 0.0, 2.33747792243958, 0.0, 0.0, 2.86981725692749, 0.0, 0.0, 0.222288012504578, 0.0, 4.90827941894531, 0.0, 1.0, -0.102290071547031, 0.0, 1.97514450550079, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H12N2O3%2Fc1-5%289%294-7%286-10%292-3-8%2Fh5%2C8-9H%2C2-4H2%2C1H3, , 0.702015101909637 0.702015101909637, 0.235702261328697, -0.0694987028837204, 3.0, 0.0, 0.0, 1.05889523029327 1.05889523029327, 0.0, 0.0811028182506561, , 0.0, 1.03240871429443 1.03240871429443, -0.0802550092339516, , 0.0, 1.0, 0.0, 0.0, 0.0, 38.0, 81.0, 0.250920206308365 0.250920206308365, 0.0, 0.56462162733078, 0.0, 0.0, 0.302690118551254 0.302690118551254, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.205912604928017 0.205912604928017, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 5.53086423873901, 0.0, 0.0, 2.0, 0.0, 0.0, 5.89577341079712, 0.0, 3.07505488395691, 0.0, , 0.0, 0.28257417678833, 0.0, 2.06690835952759, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.948556900024414, 0.0, 0.0, , 0.585876286029816, 1.0, 0.0, 0.0, 0.239434629678726, , , , 0.0, 0.0590822473168373, 0.0, 73.129997253418, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 13.0433835983276, 0.0, , 10.910008430481, 0.0, , 134.0, 0.0, 336.996612548828, 0.0, 0.0, 12.2144832611084, 0.877205312252045, 339.507019042969, 0.0, 0.0, 11.2696714401245, 0.0, 0.0, 0.0, , 1.0, 363.764099121094, 11.6014852523804, 4.32192802429199, 9.0, 302.818725585938, 0.0, 351.049987792969, 0.0, 248.818557739258, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 7.98312759399414, , , 0.5, 4.70190715789795, 0.0, 0.0, 0.0, 0.61237245798111, 1.0, 3.69249796867371, 1.0, 0.0, 1.65096366405487, , 2.0790114402771, 0.0, 1.31037068367004, 0.0, 0.0, 1.56355690956116, 0.0, 0.0, 0.240894138813019, 0.0, 0.0, 0.0, 1.0, -0.0702354088425636, 1.0, 0.891010880470276, 0.0, 0.0, 0.0
-InChI%3D1S%2FC18H25NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C11%2C14-15%2C20%2C23H%2C5-10H2%2C1-2H3%2Ft11-%2C14%3F%2C15-%2C18-%2Fm1%2Fs1, 0.0, 6.14030265808105 6.14030265808105, 3.9629693031311, -0.00616595475003123, 6.0, 2.0, 0.0, 9.12922191619873 9.12922191619873, 2.98981118202209, 0.0275149717926979, 0.0, 0.0, 10.1778497695923 10.1778497695923, 0.0242754928767681, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 134.0, 396.0, 2.67461323738098 2.67461323738098, 0.0, 1.28049027919769, 0.0, 0.0, 3.43654584884644 3.43654584884644, 0.0, 1.90000247955322, 0.0, 19.7530860900879, 0.0, 0.0, 3.42996501922607 3.42996501922607, 0.0, 7.93499994277954, 0.19245009124279, 0.0, 0.0, 0.0, 3.70408153533936, 0.383276641368866, 0.127240225672722, 2.0, 0.0, 0.594116032123566, 14.6040258407593, 0.225366085767746, 8.69950199127197, 0.301487296819687, , 7.17539262771606, 1.14418661594391, 0.0, 7.0288348197937, 0.0, 2.47687101364136, 0.0, 0.0456435456871986, 0.0, 0.0, 5.58913707733154, 0.0, 0.329530596733093, 0.0, 3.85256600379944, 2.0, 0.0398821197450161, 0.0, 2.34076189994812, 0.0, 0.0, 0.0, 0.0, 1.45734167098999, 0.0, 96.3000030517578, 0.0, 0.92769855260849, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 30.0068016052246, 2.0, 0.0, 30.1552925109863, 0.200000002980232, 0.0, 1297.0, 0.200000002980232, 1758.13452148438, 4.0, 0.0, 45.8666915893555, 3.2093026638031, 2092.56127929688, 1.0, 0.0, 55.0207138061523, 0.0, 0.0, 0.0, 0.0, 3.49456715583801, 3021.44165039062, 53.9104270935059, 5.64385604858398, 46.0, 3135.76635742188, 0.0, 2104.07006835938, 0.63245552778244, 3042.1279296875, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 4.0, 0.0, 18.1898708343506, 0.0, 0.0, 0.333333343267441, 11.9012327194214, 2.0, 0.0, 0.0, 2.11449432373047, 0.0, 10.8681240081787, 3.0, 0.117851130664349, 6.79064464569092, 0.0, 10.0932712554932, 0.975561857223511, 17.0301761627197, 0.0, 0.0, 7.70803689956665, 0.0, 0.0, 0.842974901199341, 0.16666667163372, 2.16097092628479, 0.0, 2.0, -0.427885949611664, 1.0, 5.21671295166016, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H18Cl2N2O2%2Fc14-5-7-17%288-6-15%2911-3-1-10%282-4-11%299-12%2816%2913%2818%2919%2Fh1-4%2C12H%2C5-9%2C16H2%2C%28H%2C18%2C19%29%2Ft12-%2Fm0%2Fs1, 0.0, 2.52585816383362 2.52585816383362, 1.93070554733276, -0.167792469263077, 5.0, 0.0, 2.0, 2.76043796539307 2.76043796539307, 1.21269464492798, 0.17798188328743, 0.0, 0.0, 3.69580769538879 3.69580769538879, -0.0096966614946723, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 86.0, 317.0, 0.910252571105957 0.910252571105957, 0.0, 0.5, 0.0, 0.0, 1.15270662307739 1.15270662307739, 0.0, 0.0, 0.0, 17.0526313781738, 0.0, 0.0, 1.29520225524902 1.29520225524902, 0.0, 9.03125, 0.0, 0.0, 0.0, 0.0, 5.87755107879639, 0.0833333358168602, 0.0, 1.0, 0.0, 0.107038088142872, 12.0700979232788, 0.0277777779847383, 7.09253787994385, 0.0320644564926624, , 2.10257887840271, 0.474745899438858, 1.0, 4.93624353408813, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.12122869491577, 0.0, 0.0587843731045723, 0.0, 2.16621041297913, 0.0, 0.0, 0.0, 1.44670987129211, 0.0, 0.0, 0.0, 0.0, 0.788060188293457, 0.0, 66.5599975585938, 0.0, 0.385311663150787, 0.0, 0.0, 0.0, 0.0, 0.0, 0.142857149243355, 36.6944198608398, 1.0, 0.0, 24.2323989868164, 0.0, 0.0, 804.0, 0.0, 1175.71276855469, 1.0, 0.0, 30.3392391204834, 0.0, 1289.5498046875, 0.0, 0.0, 32.1542167663574, 0.0, 0.0, 0.0, 0.0, 0.0, 1617.03442382812, 31.9696884155273, 5.24792766571045, 25.0, 1647.79052734375, 0.0, 1027.06005859375, 0.0, 1444.73779296875, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 14.2507123947144, 0.0, 0.0, 0.454545468091965, 9.07891750335693, 0.0, 0.0, 0.0, 1.10649311542511, 0.0, 7.5752387046814, 1.0, 0.0, 11.577112197876, 0.0, 5.72019958496094, 0.319035589694977, 10.9631490707397, 0.0, 0.0, 4.05061149597168, 4.0, 0.0, 0.431531876325607, 0.0, 0.0, 0.0, 1.0, -0.174160584807396, 1.0, 3.19717860221863, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC5H12N2S%2Fc1-3-6-5%288%297-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C6%2C7%2C8%29, 0.0, 0.40824830532074 0.40824830532074, 0.144337564706802, 0.0761703252792358, 2.0, 0.0, 0.0, 0.55258584022522 0.55258584022522, 0.0, -0.0414497964084148, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.00137381989043206, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 28.0, 61.0, 0.212132036685944 0.212132036685944, 0.0, 0.0, 0.0, 0.0, 0.287132024765015 0.287132024765015, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.150000005960464 0.150000005960464, 0.0, 5.14285707473755, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.20306777954102, 0.0, 3.22842192649841, 0.0, , 0.0, 0.150000005960464, 0.0, 1.75188529491425, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.94230729341507, 0.0, 0.0, 0.0, 0.663318455219269, 2.0, 0.0, 0.0, 0.111803397536278, 0.0, 0.0, 0.0, 0.0, 0.0559016987681389, 0.0, 63.189998626709, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.847728729248, 0.0, 0.0, 9.33452606201172, 0.0, 0.0, 75.0, 0.16666667163372, 408.538940429688, 1.0, 0.0, 11.9192867279053, 1.78885436058044, 389.878051757812, 0.0, 0.0, 9.67194080352783, 0.0, 0.0, 0.0, 0.0, 0.666666686534882, 381.724670410156, 8.67194080352783, 4.0, 6.0, 302.373962402344, 1.0, 305.029998779297, 0.0, 205.165328979492, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 6.40577745437622, 0.0, 0.0, 0.5, 3.80806040763855, 0.0, 1.0, 0.0, 0.288675129413605, 1.0, 2.68252205848694, 0.0, 0.0, 0.25, 0.0, 1.56294882297516, 0.0, 1.0, 0.0, 0.0, 1.12993609905243, 0.0, 0.0, 0.146802678704262, 0.0, 0.0, 0.0, 0.0, -0.115468233823776, 0.0, 0.288675129413605, 0.0, 0.0, 0.0
-InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2, 0.0, 0.0 0.0, 0.0, 0.0174320582300425, 1.0, 0.0, 2.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 6.0, 6.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.97489356994629, 0.0, 1.60356748104095, 0.0, , 0.0, 0.0, 0.0, 0.909137308597565, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.4255065917969, 0.0, 0.0, 5.90347480773926, 0.0, 0.0, 4.0, 0.0, 91.8749542236328, 0.0, 0.0, 8.71275329589844, 0.0, 64.7898406982422, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 24.6561908721924, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 10.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.5, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.104592353105545, 0.0, 0.0, 0.0, 0.0, -0.0697282329201698, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H24N2O%2Fc1-3-4-5-6-7-8-9-10-11-13%282%2912-14%2Fh3-11H2%2C1-2H3, 0.0, 0.492799282073975 0.492799282073975, 0.738626778125763, 0.0339780114591122, 9.0, 0.0, 0.0, 0.348461717367172 0.348461717367172, 0.459787994623184, -0.0256960652768612, 0.0, 0.0, 0.246399641036987 0.246399641036987, -0.00233474373817444, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 52.0, 237.0, 0.157735019922256 0.157735019922256, 0.0, 0.0, 0.0, 0.0, 0.111535504460335 0.111535504460335, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.0788675099611282 0.0788675099611282, 0.0, 11.0769233703613, 0.0, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.66663646697998, 0.0, 5.85312223434448, 0.0, , 0.0, 0.141421362757683, 0.0, 3.93777942657471, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.47465872764587, 0.0, 0.0, 0.0, 1.51533627510071, 2.0, 0.0, 0.0, 0.946504533290863, 0.0, 0.0, 0.0, 0.0, 0.58089143037796, 0.0, 32.6699981689453, 0.0, 0.348252266645432, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.4944448471069, 0.0, 0.0, 14.2458248138428, 0.0, 0.0, 435.0, 0.0909090936183929, 615.350280761719, 0.0, 0.0, 14.0520219802856, 3.81913924217224, 600.62890625, 0.0, 0.0, 12.9965543746948, 0.0, 0.0, 0.0, 0.0, 0.0, 588.972717285156, 10.6644620895386, 4.80735492706299, 12.0, 529.642578125, 0.0, 1187.03002929688, 0.0, 458.259735107422, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 8.0, 0.0, 10.6484184265137, 0.0, 0.0, 0.5, 6.80806064605713, 0.0, 0.0, 0.0, 0.288675129413605, 1.0, 4.77696895599365, 0.0, 0.0, 13.1851243972778, 0.0, 3.24740028381348, 0.0, 0.0, 0.0, 0.0, 1.83080685138702, 0.0, 0.0, 0.0618683211505413, 0.0, 0.0, 0.0, 1.0, -0.0366798937320709, 1.0, 1.16957592964172, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H14O5%2Fc1-5-7%283%2918-4-8-9%285%296%282%2911%2814%2910%2812%288%2915%2913%2816%2917%2Fh4-5%2C7%2C15H%2C1-3H3%2C%28H%2C16%2C17%29%2Ft5-%2C7%3F%2Fm0%2Fs1, 0.0, 4.52908420562744 4.52908420562744, 2.70922517776489, 0.047598984092474, 0.0, 1.0, 0.0, 7.65756464004517 7.65756464004517, 1.80700981616974, -0.352221667766571, 0.0, 0.0, 11.6955518722534 11.6955518722534, 0.333580881357193, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 96.0, 217.0, 1.86646020412445 1.86646020412445, 0.0, 1.6836930513382, 0.0, 0.0, 2.5175359249115 2.5175359249115, 0.0, 0.737787961959839, 0.0, 14.4099721908569, 0.0, 0.0, 3.26532411575317 3.26532411575317, 0.0, 5.17479181289673, 0.0, 0.0, 0.0, 0.0, 2.28435444831848, 0.0925925895571709, 0.0, 2.0, 0.0, 0.35532808303833, 10.3512229919434, 0.0352668538689613, 5.64225053787231, 0.113771855831146, , 16.5081443786621, 0.787163257598877, 0.0, 4.55796098709106, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5276300907135, 0.0, 0.246422797441483, 0.0, 2.31400442123413, 3.0, 0.0, 0.0, 1.48779630661011, 0.0, 0.0, 0.0, 0.0, 0.770514667034149, 0.0, 83.8300018310547, 0.0, 0.429401069879532, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 21.8723449707031, 1.0, 0.0, 20.9925518035889, 0.0, 0.0, 526.0, 0.766309440135956, 1252.91381835938, 7.0, 0.0, 32.763298034668, 0.825481832027435, 1514.37438964844, 0.0, 0.0, 39.9813804626465, 0.0, 0.0, 0.0, 0.0, 8.84905338287354, 2256.10961914062, 39.9677352905273, 5.16992521286011, 35.0, 2468.82983398438, 0.0, 783.049987792969, 0.0, 1913.6337890625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 1.0, 0.0, 13.6103658676147, 0.0, 0.0, 0.5, 8.35794830322266, 1.0, 0.0, 0.0, 1.69714093208313, 0.0, 8.05367279052734, 2.0, 0.0, 0.0, 0.0, 7.05027866363525, 0.738833427429199, 3.63971734046936, 0.0, 0.0, 5.84164619445801, 0.0, 0.0, 0.537855923175812, 0.0, 0.0, 0.0, 2.0, -0.184703320264816, 0.0, 4.27511739730835, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2, 0.0, 0.0 0.0, 0.0, -0.0497880317270756, 2.0, 0.0, 2.0, 0.0 0.0, 0.0, 0.0248940158635378, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 10.0, 14.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.68200039863586, 0.0, 2.10356736183167, 0.0, , 0.0, 0.0, 0.0, 1.13389337062836, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.642857134342194, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.4255065917969, 0.0, 0.0, 6.90347480773926, 0.0, 0.0, 10.0, 0.0, 144.702377319336, 0.0, 0.0, 5.90347480773926, 0.0, 115.754745483398, 0.0, 0.0, 8.71275329589844, 0.0, 0.0, 0.0, 0.0, 0.0, 69.4671401977539, 0.0, 3.0, 1.0, 26.0635776519775, 0.0, 37.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.41421365737915, 0.0, 0.0, 0.333333343267441, 1.91421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0995760634541512, 0.0, 0.0, 0.0, 0.0, -0.0248940158635378, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2, 0.0, 0.577350258827209 0.577350258827209, 0.0, -0.0550944581627846, 2.0, 0.0, 1.0, 0.288675129413605 0.288675129413605, 0.0, -0.00328892027027905, 0.0, 0.0, 0.0 0.0, 0.0205029882490635, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 29.0, 1.75631833076477 1.75631833076477, 0.0, 0.0, 0.0, 0.0, 1.26254642009735 1.26254642009735, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.20000004768372, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.05337905883789, 0.0, 4.14090394973755, 0.0, , 0.0, 0.566946685314178, 0.0, 3.15693640708923, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.37808275222778, 0.0, 0.0, 0.0, 0.642857134342194, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 100.228935241699, 0.0, 0.0, 18.2570877075195, 0.0, 0.0, 31.0, 0.0, 433.149627685547, 0.0, 0.0, 23.9097633361816, 0.0, 403.634490966797, 0.0, 0.0, 73.4994583129883, 0.0, 0.0, 0.0, 0.0, 0.0, 368.651885986328, 19.6369514465332, 3.58496260643005, 4.0, 222.678283691406, 0.0, 70.0299987792969, 0.0, 43.3590660095215, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 4.99156379699707, 2.0, 0.0, 0.5, 2.80806040763855, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 1.92166829109192, 1.0, 0.0, 0.5, 0.0, 1.39384686946869, 0.0, 2.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.116667233407497, 0.0, 0.0, 0.0, 0.0, -0.0204532295465469, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H6N4O4%2Fc7-6%2811%299-8-3-4-1-2-5%2814-4%2910%2812%2913%2Fh1-3H%2C%28H3%2C7%2C9%2C11%29%2Fb8-3-, 0.0, 1.7140154838562 1.7140154838562, 1.31662976741791, -0.135763257741928, 0.0, 0.0, 0.0, 1.81269025802612 1.81269025802612, 0.619699478149414, 0.24694661796093, 0.0, 0.0, 1.80959224700928 1.80959224700928, -0.077753022313118, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 64.0, 194.0, 0.265279024839401 0.265279024839401, 0.0, 0.550321221351624, 0.0, 0.0, 0.263820767402649 0.263820767402649, 0.0, 0.793700516223907, 0.0, 12.0714282989502, 0.0, 0.0, 0.180461868643761 0.180461868643761, 0.0, 5.77777767181396, 0.117851130664349, 0.0, 0.0, 0.0, 4.3878116607666, 0.151374712586403, 0.0340206921100616, 1.0, 0.0, 0.243120849132538, 6.79843664169312, 0.0348563715815544, 3.40177464485168, 0.0299908090382814, , 0.825481832027435, 0.213915511965752, 0.0, 2.15172076225281, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.15478324890137, 0.0, 0.00878410506993532, 0.0, 0.666757762432098, 0.0, 0.0, 0.0, 0.310281664133072, 0.0, 0.0, 0.0, 0.0, 0.150962010025978, 0.0, 127.430000305176, 0.0, 0.0548231154680252, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.125, 18.5378284454346, 0.0, 0.0, 17.1279373168945, 0.0, 0.0, 356.0, 0.0, 505.751129150391, 1.0, 0.0, 23.1200561523438, 0.0, 551.054260253906, 0.0, 0.0, 18.344783782959, 0.0, 0.0, 0.0, 0.0, 0.0, 680.2373046875, 15.0448522567749, 4.80735492706299, 14.0, 504.855743408203, 0.0, 218.080001831055, 0.0, 423.690490722656, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 1.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.365148365497589, 3.0, 0.0, 10.5520420074463, 0.0, 0.0, 0.444444447755814, 6.59222412109375, 1.0, 1.0, 0.0, 1.11237239837646, 1.0, 6.00792503356934, 0.0, 0.0, 1.65096366405487, 0.0, 3.91844439506531, 0.16666667163372, 4.14186000823975, 0.0, 0.0, 2.79609513282776, 2.0, 0.0, 0.42872342467308, 0.0, 0.0, 1.0, 2.0, -0.199100345373154, 0.0, 1.77061343193054, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H16N4O4%2Fc1-7%2815-5-10%2818%2913-11%2819%296-15%292-14-3-8%2816%2912-9%2817%294-14%2Fh7H%2C2-6H2%2C1H3%2C%28H%2C12%2C16%2C17%29%28H%2C13%2C18%2C19%29, 0.0, 2.63327074050903 2.63327074050903, 2.44917297363281, -0.170482099056244, 5.0, 0.0, 0.0, 4.57292652130127 4.57292652130127, 1.25442743301392, 0.462480068206787, 0.0, 0.0, 5.694504737854 5.694504737854, -0.213242620229721, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 96.0, 291.0, 1.19497644901276 1.19497644901276, 0.0, 0.873580455780029, 0.0, 0.0, 1.54486119747162 1.54486119747162, 0.0, 0.0, 0.0, 15.3900003433228, 0.0, 0.0, 1.71106326580048 1.71106326580048, 0.333333343267441, 6.63520431518555, 0.0, 0.0, 0.0, 0.0, 4.5, 0.136082768440247, 0.0, 2.0, 0.0, 0.359561771154404, 10.6126623153687, 0.0500000007450581, 5.98903894424438, 0.0748845189809799, , 2.4317479133606, 0.740308344364166, 0.0, 4.76716613769531, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.06004285812378, 0.0, 0.0912870913743973, 0.0, 2.21769833564758, 1.0, 0.0, 0.0, 1.34047949314117, 0.0, 0.0, 0.0, 0.0, 0.684873938560486, 0.0, 105.800003051758, 0.0, 0.350239515304565, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.5378284454346, 0.0, 0.0, 22.9902210235596, 0.0, 0.0, 736.0, 0.0, 1052.115234375, 4.0, 0.0, 33.3702697753906, 1.61098504066467, 1202.4677734375, 0.0, 0.0, 30.7883815765381, 0.0, 0.0, 0.0, 0.0, 1.50854408740997, 1613.90515136719, 29.2027854919434, 5.24792766571045, 26.0, 1517.48828125, 0.0, 954.080017089844, 0.0, 1289.59252929688, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.111111111938953, 0.0, 0.0, 0.942809045314789, 1.0, 0.0, 13.9911994934082, 0.0, 0.0, 0.444444447755814, 8.93556118011475, 0.0, 0.0, 0.0, 1.76119363307953, 2.0, 8.67399120330811, 1.0, 0.0, 3.19577169418335, 0.0, 6.00097322463989, 0.117851130664349, 8.39470863342285, 0.0, 0.0, 5.49814510345459, 0.0, 0.0, 0.754148125648499, 0.0, 0.0, 0.0, 2.0, -0.441522210836411, 2.0, 3.642009973526, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC14H15N3O2%2Fc1-14%282%299-7-8%283-4-11%289%2915-13%2814%2919%2910-5-6-12%2818%2917-16-10%2Fh3-4%2C7H%2C5-6H2%2C1-2H3%2C%28H%2C15%2C19%29%28H%2C17%2C18%29, 0.0, 4.78787231445312 4.78787231445312, 3.29300928115845, 0.0056139356456697, 2.0, 0.0, 0.0, 6.47844696044922 6.47844696044922, 2.22371411323547, -0.00801127310842276, 0.0, 0.0, 8.81505870819092 8.81505870819092, -0.00414424389600754, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 106.0, 318.0, 2.01556134223938 2.01556134223938, 0.0, 0.100000001490116, 0.0, 0.0, 2.32158160209656 2.32158160209656, 0.0, 0.0, 0.0, 13.9591836929321, 0.0, 0.0, 2.55993604660034 2.55993604660034, 0.0, 5.080078125, 0.0680413842201233, 1.0, 0.0, 0.0, 2.49215793609619, 0.451723903417587, 0.0279508493840694, 2.0, 0.0, 0.84148120880127, 10.8823328018188, 0.149732828140259, 6.23678159713745, 0.217131838202477, , 4.84204006195068, 1.16981947422028, 0.0, 5.35526037216187, 0.0, 2.55426740646362, 0.0, 0.125, 0.0, 0.0, 3.6600444316864, 0.0, 0.289323776960373, 0.0, 2.33828783035278, 2.0, 0.0610843934118748, 0.0, 1.62004220485687, 0.0, 0.0, 0.0, 0.0, 0.909026682376862, 0.0, 77.5400009155273, 0.0, 0.532613396644592, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.6289024353027, 2.0, 0.0, 22.6889133453369, 0.0, 0.0, 683.0, 0.5, 1299.49353027344, 3.0, 0.0, 35.1005973815918, 2.08794903755188, 1559.37512207031, 1.0, 0.0, 35.7095947265625, 0.0, 0.0, 0.0, 0.0, 3.40380263328552, 2310.90380859375, 23.8272018432617, 5.24792766571045, 32.0, 2188.41674804688, 0.0, 954.049987792969, 2.0, 1552.19787597656, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.863054394721985, 1.0, 0.0, 0.0, 6.0, 0.0, 13.6209554672241, 0.0, 0.0, 0.5, 8.98120021820068, 0.0, 0.0, 0.0, 2.02133393287659, 3.0, 8.91777420043945, 0.0, 0.16666667163372, 3.76916909217834, 0.0, 7.64322423934937, 0.836019217967987, 11.6942844390869, 0.0, 0.0, 5.76789236068726, 3.0, 0.0, 0.272982448339462, 0.185892507433891, 1.34123075008392, 0.0, 0.0, -0.1089703515172, 0.0, 4.83702182769775, 0.0, 0.0, 0.0
-InChI%3D1S%2FCHBr3%2Fc2-1%283%294%2Fh1H, 0.0, 0.0 0.0, 0.0, 0.0244095642119646, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 9.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 6.46923351287842, 0.0, 3.40168023109436, 0.0, , 0.0, 4.37358903884888, 0.0, 6.68076753616333, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 133.774276733398, 0.0, 0.0, 19.9580268859863, 0.0, 0.0, 9.0, 0.0, 347.385314941406, 0.0, 0.0, 132.774276733398, 0.0, 296.05615234375, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 204.55891418457, 0.0, 3.0, 0.0, 0.0, 0.0, 4.03000020980835, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 3.0, 0.0, 0.5, 1.73205077648163, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.73205077648163, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0976382568478584, 0.0, 0.0, 0.0, 0.0, -0.073228694498539, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H9O3P%2Fc1-5-7%283%2C4%296-2%2Fh1-3H3, 0.0, 1.70710682868958 1.70710682868958, 0.0, 0.242875069379807, 0.0, 2.0, 0.0, 1.0 1.0, 0.0, -0.152551680803299, 0.0, 0.0, 0.0 0.0, 0.0344540998339653, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 28.0, 34.0, 0.538770139217377 0.538770139217377, 0.0, 0.0, 0.0, 0.0, 0.248858496546745 0.248858496546745, 0.0, 1.0, 0.0, 7.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.34375, 0.0, 0.0, 1.0, 0.0, 2.66666674613953, 0.0, 0.0, 0.0, 0.0, 0.0, 4.89590072631836, 0.0, 2.30964756011963, 0.0, , 0.0, 0.381244421005249, 0.0, 1.70556962490082, 0.0, 0.0, 0.0, 0.0456663854420185, 0.0, 0.0, 0.995433986186981, 0.0, 0.0, 0.0, 0.11185934394598, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 45.3400001525879, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.9738206863403, 0.0, 0.0, 15.5487785339355, 0.5, 0.0, 44.0, 0.908560276031494, 111.335556030273, 0.0, 0.0, 14.4773626327515, 0.0, 106.816329956055, 0.0, 0.0, 7.32836771011353, 0.0, 0.0, 0.0, 0.0, 0.0, 121.275115966797, 1.0, 3.80735492706299, 6.0, 81.895637512207, 0.0, 183.039993286133, 0.0, 14.3390026092529, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.91421365737915, 0.0, 0.0, 0.5, 3.12132024765015, 0.0, 0.0, 0.0, 1.20710682868958, 0.0, 2.87132024765015, 0.0, 0.25, 0.0, 0.0, 1.91421353816986, 0.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.423558920621872, 0.0, 0.0, 0.0, 1.0, -0.336556941270828, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-4-10-14%2812%2911%286-3-9%295-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29, 0.0, 2.18041300773621 2.18041300773621, 1.22888016700745, 0.344842195510864, 7.0, 1.0, 2.0, 3.33692455291748 3.33692455291748, 0.650524497032166, -0.114247798919678, 0.0, 0.0, 4.0737771987915 4.0737771987915, -0.287226319313049, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 64.0, 162.0, 0.898287653923035 0.898287653923035, 0.0, 0.0, 0.0, 0.0, 1.35477447509766 1.35477447509766, 0.0, 0.5, 0.0, 12.0714282989502, 0.0, 0.0, 1.61784827709198 1.61784827709198, 0.0, 5.77777767181396, 0.0, 0.0, 1.0, 0.0, 3.27272725105286, 0.0721687823534012, 0.0, 0.0, 0.0, 0.174230858683586, 9.65240097045898, 0.0433229357004166, 6.06197643280029, 0.0699819251894951, , 0.0, 0.378565520048141, 0.0, 4.24890756607056, 0.0, 0.0, 0.0, 0.0250125098973513, 0.0, 0.0, 2.88193941116333, 0.0, 0.0862803980708122, 0.0, 2.16484761238098, 0.0, 0.0125062549486756, 0.0, 1.55598962306976, 0.0, 0.0, 0.0, 0.0, 0.758107721805573, 0.0, 51.3800010681152, 0.0, 0.390322476625443, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 37.3448333740234, 0.0, 0.0, 27.6194343566895, 0.0, 0.0, 307.0, 0.0, 641.551086425781, 0.0, 0.0, 32.3978004455566, 0.0, 689.76708984375, 0.0, 0.0, 31.7766342163086, 0.0, 0.0, 0.0, 0.0, 0.0, 855.246337890625, 33.3348693847656, 4.80735492706299, 19.0, 868.334594726562, 0.0, 659.070007324219, 0.0, 701.925476074219, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 1.0, 0.0, 10.4413108825684, 0.0, 0.0, 0.5, 6.72649192810059, 0.0, 1.0, 0.0, 0.946923434734344, 0.0, 5.48896408081055, 0.0, 0.144337564706802, 6.77558326721191, 0.0, 4.27465677261353, 0.27629292011261, 0.0, 0.0, 0.0, 3.22316241264343, 0.0, 0.0, 0.477108985185623, 0.0721687823534012, 0.0, 0.0, 1.0, -0.397071927785873, 1.0, 2.53118348121643, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2, 0.0, 1.43566012382507 1.43566012382507, 0.717830061912537, 0.420245885848999, 6.0, 3.0, 3.0, 2.03033018112183 2.03033018112183, 0.375, -0.0550851002335548, 0.0, 0.0, 2.18566012382507 2.18566012382507, -0.495197027921677, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 56.0, 153.0, 0.290619105100632 0.290619105100632, 0.0, 0.0, 0.0, 0.0, 0.3820461332798 0.3820461332798, 0.0, 1.5, 0.0, 14.0, 0.0, 0.0, 0.454724550247192 0.454724550247192, 0.0, 8.31999969482422, 0.0, 0.0, 1.0, 0.0, 7.03999996185303, 0.0, 0.0, 0.0, 0.0, 0.0, 9.94847011566162, 0.0, 5.86736965179443, 0.0, , 0.0, 0.182665541768074, 0.0, 3.56560683250427, 0.0, 0.0, 0.0, 0.0186432246118784, 0.0, 0.0, 1.8172310590744, 0.0, 0.0, 0.0, 1.13718342781067, 0.0, 0.0, 0.0, 0.808054089546204, 0.0, 0.0, 0.0, 0.0, 0.352955520153046, 0.0, 54.5699996948242, 0.0, 0.190254852175713, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 45.8865509033203, 0.0, 0.0, 29.5924949645996, 1.5, 0.0, 343.0, 0.0, 473.231994628906, 0.0, 0.0, 31.2348213195801, 0.0, 463.309326171875, 0.0, 0.0, 31.5213031768799, 0.0, 0.0, 0.0, 0.0, 0.0, 486.859802246094, 37.8250007629395, 4.80735492706299, 15.0, 494.750061035156, 0.0, 443.079986572266, 0.0, 508.587005615234, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.8639612197876, 0.0, 0.0, 0.5, 6.6819806098938, 0.0, 0.0, 0.0, 0.926776707172394, 0.0, 5.12132024765015, 0.0, 0.176776692271233, 4.17312145233154, 0.0, 3.40165042877197, 0.0, 0.0, 0.0, 0.0, 2.18566012382507, 0.0, 0.0, 0.72691822052002, 0.0, 0.0, 0.0, 1.0, -0.600496709346771, 0.0, 1.81066012382507, 0.0, 0.0, 0.0
-InChI%3D1S%2FHI.K%2Fh1H%3B%2Fq%3B%2B1%2Fp-1, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.34520792961121, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 122.235504150391, 0.0, 0.0, 0.0, 0.0, 0.0, 1000000000.0, 0.0, 33.5241012573242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 2.01999998092651, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3, 0.0, 0.577350258827209 0.577350258827209, 0.0, -0.0113967172801495, 1.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.0, -0.00616778479889035, 0.0, 0.0, 0.0 0.0, -0.000403932470362633, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 29.0, 0.228824555873871 0.228824555873871, 0.0, 0.0, 0.0, 0.0, 0.0707106813788414 0.0707106813788414, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.20000004768372, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 1.0, 0.0, 0.0, 4.10153388977051, 0.0, 1.98426699638367, 0.0, , 0.0, 0.15811388194561, 0.0, 1.18882751464844, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.682377934455872, 0.0, 0.0, 0.0, 0.0707106813788414, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.5900001525879, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.13445711135864, 0.0, 0.0, 5.719651222229, 0.0, 0.0, 31.0, 0.333333343267441, 184.655426025391, 1.0, 0.0, 5.66446256637573, 1.41421353816986, 168.299468994141, 0.0, 0.0, 4.8303689956665, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 157.388046264648, 1.33209192752838, 3.58496260643005, 4.0, 99.636474609375, 0.0, 166.020004272461, 0.0, 19.2929401397705, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 4.99156379699707, 0.0, 0.0, 0.5, 2.80806040763855, 0.0, 0.0, 0.0, 0.288675129413605, 1.0, 1.92166829109192, 0.0, 0.0, 0.0, 0.0, 1.39384686946869, 0.0, 1.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.0238622296601534, 0.0, 0.0, 0.0, 0.0, 0.00603731954470277, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H9NO2%2Fc15-14%2816%2911-5-6-13-10%288-11%297-9-3-1-2-4-12%289%2913%2Fh1-6%2C8H%2C7H2, 0.0, 2.78042793273926 2.78042793273926, 3.07494831085205, -0.0229604747146368, 1.0, 0.0, 0.0, 4.23468589782715 4.23468589782715, 2.45021033287048, -0.0154758831486106, 0.0, 0.0, 5.81259679794312 5.81259679794312, -0.00115856621414423, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 88.0, 220.0, 1.04035484790802 1.04035484790802, 0.0, 0.5, 0.0, 0.0, 1.51259577274323 1.51259577274323, 0.0, 0.0, 0.0, 11.1111106872559, 0.0, 0.0, 1.74993205070496 1.74993205070496, 0.0, 4.34911251068115, 0.0785674229264259, 0.0, 0.0, 0.0, 1.96604943275452, 0.37359693646431, 0.0441941730678082, 0.0, 0.0, 0.619346439838409, 8.51226902008057, 0.153896108269691, 5.11124610900879, 0.218667790293694, , 5.14592981338501, 0.460265100002289, 0.0, 3.93248343467712, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.98808217048645, 0.0, 0.092181496322155, 0.0, 2.24509572982788, 0.0, 0.0, 0.0, 1.57348430156708, 0.0, 0.0, 0.0, 0.0, 0.917143583297729, 0.0, 45.8199996948242, 0.0, 0.584113776683807, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.9089260101318, 4.0, 0.0, 19.2731170654297, 0.0, 0.0, 414.0, 0.0, 1014.55444335938, 0.0, 0.0, 27.7710227966309, 0.0, 1227.71899414062, 0.0, 0.0, 26.660737991333, 0.0, 0.0, 0.0, 0.0, 0.0, 1790.99194335938, 20.660737991333, 5.0, 25.0, 1619.95275878906, 0.0, 489.029998779297, 0.0, 1134.72314453125, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 11.1209554672241, 0.0, 0.0, 0.5, 7.75402021408081, 0.0, 0.0, 0.0, 1.10549890995026, 0.0, 7.18517684936523, 0.0, 0.0, 9.72837352752686, 0.0, 6.14791107177734, 0.358304977416992, 17.1613941192627, 0.0, 0.0, 5.24543619155884, 7.0, 0.0, 0.0652766823768616, 0.0, 0.0, 0.0, 2.0, 0.00701468950137496, 0.0, 4.38310384750366, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3, 0.0, 1.40924251079559 1.40924251079559, 0.830066502094269, -0.0425875671207905, 0.0, 1.0, 0.0, 1.94750583171844 1.94750583171844, 0.144337564706802, 0.0604378655552864, 0.0, 0.0, 2.06838130950928 2.06838130950928, -0.0193949155509472, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 46.0, 84.0, 0.464345902204514 0.464345902204514, 0.0, 0.0, 0.0, 0.0, 0.529958724975586 0.529958724975586, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.466113746166229 0.466113746166229, 0.0, 3.40828394889832, 0.0, 0.0, 0.0, 0.0, 1.99111115932465, 0.0680413842201233, 0.0, 0.0, 0.0, 0.184195280075073, 6.21764945983887, 0.0240562614053488, 3.1390814781189, 0.0477660782635212, , 1.65096366405487, 0.308925569057465, 1.0, 2.24540448188782, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.3852037191391, 0.0, 0.0196418557316065, 0.0, 0.853774070739746, 2.0, 0.0, 0.0, 0.443124085664749, 0.0, 0.0, 0.0, 0.0, 0.219724088907242, 0.0, 35.25, 0.0, 0.0253119710832834, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.1344566345215, 1.0, 0.0, 10.8303689956665, 0.0, 0.0, 116.0, 0.16666667163372, 493.043334960938, 0.0, 0.0, 13.9965543746948, 2.0800838470459, 535.8583984375, 0.0, 0.0, 13.5500202178955, 0.0, 0.0, 0.0, 0.0, 2.24957680702209, 677.41455078125, 7.83064794540405, 4.32192802429199, 12.0, 567.162963867188, 0.0, 351.019989013672, 0.0, 275.319580078125, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 7.56047773361206, 0.0, 0.0, 0.5, 4.73638200759888, 0.0, 0.0, 0.0, 0.6910440325737, 0.0, 4.06383609771729, 0.0, 0.0, 1.65096366405487, 0.0, 3.13352584838867, 0.117851130664349, 5.85380077362061, 0.0, 0.0, 2.33458280563354, 3.0, 0.0, 0.204444512724876, 0.0, 0.0, 0.0, 0.0, -0.100947596132755, 0.0, 1.39430165290833, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H13NO2%2Fc1-3-13-10-6-4-9%285-7-10%2911-8%282%2912%2Fh4-7H%2C3H2%2C1-2H3%2C%28H%2C11%2C12%29, 0.0, 1.07524120807648 1.07524120807648, 1.10268676280975, 0.0100350882858038, 1.0, 1.0, 0.0, 1.62162148952484 1.62162148952484, 0.840018510818481, -0.00810202583670616, 0.0, 0.0, 1.81219387054443 1.81219387054443, -0.049726065248251, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 58.0, 171.0, 0.300014048814774 0.300014048814774, 0.0, 0.0, 0.0, 0.0, 0.388213247060776 0.388213247060776, 0.0, 0.142857149243355, 0.0, 11.0769233703613, 0.0, 0.0, 0.347315818071365 0.347315818071365, 0.0, 5.671875, 0.0, 0.0, 0.0, 0.0, 4.15224933624268, 0.0833333358168602, 0.0, 1.0, 0.0, 0.117851130664349, 7.81918334960938, 0.0277777779847383, 4.19209384918213, 0.0237628296017647, , 0.965489387512207, 0.242576986551285, 0.0, 2.58593082427979, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.43862783908844, 0.0, 0.0, 0.0, 0.970399975776672, 2.0, 0.0, 0.0, 0.568886876106262, 0.0, 0.0, 0.0, 0.0, 0.235598087310791, 0.0, 41.8199996948242, 0.0, 0.141670480370522, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.9089260101318, 0.0, 0.0, 14.3286466598511, 0.0, 0.0, 280.0, 0.111111111938953, 611.956970214844, 1.0, 0.0, 18.3803901672363, 2.45063710212708, 656.833068847656, 0.0, 0.0, 15.3286466598511, 0.0, 0.0, 0.0, 0.0, 1.61887037754059, 801.6083984375, 13.1624612808228, 4.70043992996216, 14.0, 702.356567382812, 0.0, 520.030029296875, 0.0, 530.594482421875, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 9.68179798126221, 0.0, 0.0, 0.444444447755814, 6.21954536437988, 0.0, 0.0, 0.0, 0.816496610641479, 1.0, 5.30497550964355, 0.0, 0.0, 4.25141477584839, 0.0, 3.46798777580261, 0.0, 6.74402570724487, 0.0, 0.0, 2.83077645301819, 4.0, 0.0, 0.311650216579437, 0.0, 0.0, 0.0, 0.0, -0.161954447627068, 0.0, 2.06282901763916, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3, 0.0, 1.06066012382507 1.06066012382507, 0.0, -0.0128095149993896, 0.0, 1.0, 0.0, 0.353553384542465 0.353553384542465, 0.0, 0.0154554387554526, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 24.0, 24.0, 0.61237245798111 0.61237245798111, 0.0, 0.0, 0.0, 0.0, 0.20412415266037 0.20412415266037, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.63265311717987, 0.0, 0.0, 0.0, 0.0, 5.33333349227905, 0.0, 0.0, 0.0, 0.0, 0.0, 4.90824842453003, 0.0, 2.11237239837646, 0.0, , 0.0, 1.11237239837646, 0.0, 2.31649661064148, 0.0, 0.0, 0.0, 0.20412415266037, 0.0, 0.0, 0.61237245798111, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.22999954223633, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.77446889877319, 1.0, 0.0, 5.66418409347534, 0.0, 0.0, 28.0, 2.44948983192444, 208.438781738281, 0.0, 0.0, 7.99627590179443, 0.0, 198.32487487793, 1.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 230.946090698242, 0.0, 3.58496260643005, 3.0, 79.263427734375, 0.0, 259.010009765625, 3.36358571052551, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.207106590271, 0.0, 0.0, 0.333333343267441, 2.56066012382507, 0.0, 0.0, 0.0, 1.56066012382507, 0.0, 2.91421365737915, 0.0, 0.353553384542465, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.168171614408493, 0.0, 0.0, 0.0, 0.0, -0.0867317318916321, 0.0, 0.0, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H%2Ft1-%2C2-%2C3-%2C4%3F%2C5%3F%2C6%2B%2Fm1%2Fs1, 0.0, 3.64273452758789 3.64273452758789, 0.829344630241394, -0.149364098906517, 0.0, 0.0, 6.0, 4.97606754302979 4.97606754302979, 0.222222223877907, -0.0746820494532585, 0.0, 0.0, 7.01965713500977 7.01965713500977, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 60.0, 102.0, 4.48108768463135 4.48108768463135, 0.0, 0.0, 0.0, 0.0, 6.42127370834351 6.42127370834351, 0.0, 0.0, 0.0, 10.0833330154419, 0.0, 0.0, 9.34938430786133 9.34938430786133, 0.0, 3.3950617313385, 0.0, 0.0, 0.0, 0.0, 1.5625, 0.0370370373129845, 0.0, 0.0, 0.0, 0.222222223877907, 10.2674617767334, 0.0370370373129845, 5.92792224884033, 0.251976311206818, , 9.12546539306641, 1.30930733680725, 0.0, 5.69027423858643, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.8567099571228, 0.0, 0.857142865657806, 0.0, 3.38137316703796, 0.0, 0.0, 0.0, 1.95223665237427, 0.0, 0.0, 0.0, 0.0, 0.998824298381805, 0.0, 0.0, 0.0, 0.28571429848671, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 58.2765197753906, 0.0, 0.0, 23.7104244232178, 0.0, 0.0, 174.0, 0.0, 1161.49096679688, 0.0, 0.0, 41.4208488464355, 0.0, 1349.00231933594, 0.0, 0.0, 90.6973724365234, 0.0, 0.0, 0.0, 0.0, 0.0, 1878.3134765625, 69.986946105957, 4.58496236801147, 21.0, 1810.26770019531, 0.0, 192.059997558594, 0.0, 871.111022949219, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 9.46410179138184, 0.0, 0.0, 0.200000002980232, 5.46410179138184, 0.0, 0.0, 0.0, 1.15470051765442, 0.0, 5.154700756073, 6.0, 0.0, 0.0, 0.0, 4.97606754302979, 0.666666686534882, 0.0, 0.0, 0.0, 2.87293410301208, 0.0, 0.0, 0.298728197813034, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.65868926048279, 0.0, 0.0, 0.0
-InChI%3D1S%2FC20H24O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C5%2C7%2C12%2C16-18%2C21-22H%2C4%2C6%2C8-11H2%2C2H3%2Ft16-%2C17%3F%2C18%3F%2C19%2B%2C20%2B%2Fm1%2Fs1, 0.0, 6.61532211303711 6.61532211303711, 5.0547513961792, -0.0211416985839605, 6.0, 0.0, 0.0, 10.8521718978882 10.8521718978882, 3.95161271095276, -0.00275051104836166, 0.0, 0.0, 14.6849966049194 14.6849966049194, -0.000218115179450251, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 130.0, 399.0, 4.29852485656738 4.29852485656738, 0.0, 0.100000001490116, 0.0, 0.0, 7.0228099822998 7.0228099822998, 0.0, 0.0, 0.0, 15.5232000350952, 0.0, 0.0, 9.25261974334717 9.25261974334717, 0.0, 5.25, 0.0721687823534012, 1.0, 0.0, 0.0, 2.11111116409302, 0.459775775671005, 0.0721687823534012, 2.0, 1.0, 1.06862235069275, 13.1785202026367, 0.347061187028885, 8.50334453582764, 0.712453961372375, , 6.63197565078735, 1.56142044067383, 0.0, 7.79806137084961, 0.0, 3.32753610610962, 0.0, 0.141590550541878, 0.0, 0.0, 7.10047435760498, 0.0, 0.726252615451813, 0.0, 5.82190704345703, 1.0, 0.199757739901543, 0.0, 4.50700235366821, 0.0, 0.0, 0.0, 0.0, 3.24103736877441, 0.0, 40.4599990844727, 0.0, 2.38859844207764, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.5489387512207, 6.0, 0.0, 25.6641845703125, 0.0, 0.0, 941.0, 0.25, 1874.59851074219, 0.0, 0.0, 41.6604614257812, 4.58493947982788, 2345.3486328125, 2.0, 1.0, 48.3246421813965, 0.0, 0.0, 0.0, 0.0, 2.30957436561584, 3711.65356445312, 37.328369140625, 5.45943164825439, 46.0, 3939.37255859375, 0.0, 1939.02001953125, 2.14913988113403, 3001.29565429688, 3.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 15.5351696014404, 0.0, 0.0, 0.454545468091965, 10.4831123352051, 0.0, 0.0, 0.0, 2.3372950553894, 0.0, 10.2627420425415, 3.0, 0.227062076330185, 12.3649597167969, 0.0, 9.77254295349121, 1.22124040126801, 21.3989067077637, 0.0, 0.0, 8.03020572662354, 3.0, 0.0, 0.158922791481018, 0.448623448610306, 6.78693008422852, 0.0, 0.0, -0.0552764795720577, 0.0, 6.55419063568115, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H21NO3%2Fc1-13%282%2C3%2914-7-12%2817%299-4-5-11%2816%2910%286-9%298-15%2Fh4-6%2C12%2C14-17H%2C7-8H2%2C1-3H3, 0.0, 2.79600358009338 2.79600358009338, 1.71861755847931, -0.0669425427913666, 2.0, 0.0, 0.0, 3.27134704589844 3.27134704589844, 0.870686531066895, 0.0106438305228949, 0.0, 0.0, 4.18043899536133 4.18043899536133, 0.0709193646907806, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 82.0, 238.0, 1.21754837036133 1.21754837036133, 0.0, 0.57235711812973, 0.0, 0.0, 1.20295643806458 1.20295643806458, 0.0, 0.0, 0.0, 15.0588235855103, 0.0, 0.0, 1.21035265922546 1.21035265922546, 0.0, 6.25, 0.0, 0.0, 0.0, 0.0, 5.01760005950928, 0.0680413842201233, 0.0, 3.0, 0.0, 0.155437618494034, 10.5652551651001, 0.0240562614053488, 5.69009733200073, 0.0416575223207474, , 2.94168281555176, 1.60412395000458, 0.0, 5.19296216964722, 0.0, 0.844213604927063, 0.0, 0.25, 0.0, 0.0, 2.48441076278687, 0.0, 0.0567813441157341, 0.0, 1.46005833148956, 3.0, 0.0, 0.0, 0.999377191066742, 0.0, 0.0, 0.0, 0.0, 0.522112369537354, 0.0, 72.7200012207031, 0.0, 0.244164258241653, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.6833953857422, 3.0, 0.0, 18.3286457061768, 0.0, 0.0, 560.0, 1.5, 964.824157714844, 0.0, 0.0, 26.3252010345459, 2.62886881828308, 1071.47607421875, 1.0, 0.0, 25.0442943572998, 0.0, 0.0, 0.0, 0.0, 2.07432460784912, 1407.26867675781, 21.0993919372559, 5.08746290206909, 22.0, 1259.94689941406, 0.0, 1172.0400390625, 3.0, 1005.865234375, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 13.0520420074463, 0.0, 0.0, 0.444444447755814, 7.83151721954346, 0.0, 1.0, 0.0, 2.36539793014526, 0.0, 7.7953634262085, 1.0, 0.353553384542465, 3.61939930915833, 0.0, 5.0818305015564, 0.235702261328697, 10.3251247406006, 0.0, 0.0, 3.43394470214844, 3.0, 0.0, 0.308349698781967, 0.0, 1.08274495601654, 0.0, 0.0, -0.0953212976455688, 0.0, 2.80642437934875, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H10N6O3%2Fc1-11-4-8-6%2812%282%299-15%295%2811%297%2814%2913%283%2910-16%2Fh4H%2C1-3H3, 0.0, 3.12885117530823 3.12885117530823, 1.55459427833557, 0.109493851661682, 0.0, 0.0, 0.0, 4.68413591384888 4.68413591384888, 0.682538628578186, -0.0859729424118996, 0.0, 0.0, 6.26792860031128 6.26792860031128, 0.0367477238178253, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 76.0, 187.0, 0.897907674312592 0.897907674312592, 0.0, 0.520020961761475, 0.0, 0.0, 1.03401839733124 1.03401839733124, 0.0, 0.0, 0.0, 14.0625, 0.0, 0.0, 1.1243269443512 1.1243269443512, 0.908560276031494, 6.07438039779663, 0.0962250456213951, 0.0, 0.0, 0.0, 3.02972650527954, 0.207336157560349, 0.0288675129413605, 0.0, 0.0, 0.325655966997147, 8.98537635803223, 0.0562112145125866, 4.22173833847046, 0.0648296475410461, , 2.38110160827637, 0.480644702911377, 0.0, 3.04335379600525, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.96569979190826, 0.0, 0.0964345037937164, 0.0, 1.13023793697357, 3.0, 0.0, 0.0, 0.646970212459564, 0.0, 0.0, 0.0, 0.0, 0.263622552156448, 0.0, 100.230003356934, 0.0, 0.0735262185335159, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.4833354949951, 0.0, 0.0, 19.6546669006348, 0.0, 0.0, 421.0, 0.56462162733078, 713.411926269531, 1.0, 0.0, 26.2081336975098, 0.877205312252045, 820.682678222656, 0.0, 0.0, 29.5089302062988, 0.0, 0.0, 0.0, 0.0, 3.22147059440613, 1131.60314941406, 29.5326690673828, 5.0, 24.0, 1078.58239746094, 0.0, 436.089996337891, 0.0, 933.749084472656, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.669432938098907, 0.0, 2.0, 3.39886260032654, 1.0, 0.0, 12.2925291061401, 0.0, 0.0, 0.5, 7.52327442169189, 0.0, 0.0, 0.0, 1.14675068855286, 2.0, 6.42602014541626, 0.0, 0.0, 0.0, 0.0, 5.63028907775879, 0.420386165380478, 1.31037068367004, 2.0, 0.0, 3.88811731338501, 1.0, 1.0, 0.419948488473892, 0.0, 0.0, 0.0, 3.0, -0.250089645385742, 2.0, 2.60127210617065, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H5ClO%2Fc4-1-3-2-5-3%2Fh3H%2C1-2H2, 0.0, 0.20412415266037 0.20412415266037, 0.0, -0.055318146944046, 2.0, 1.0, 1.0, 0.0 0.0, 0.0, 0.0275864638388157, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 22.0, 25.0, 0.133630618453026 0.133630618453026, 0.0, 0.0, 0.0, 0.288675129413605, 0.0 0.0, 0.16666667163372, 0.0, 0.0, 3.20000004768372, 0.20412415266037, 0.0, 0.0 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.117851130664349, 0.639999985694885, 0.0, 0.0, 0.0, 0.0, 0.0, 3.53370547294617, 0.0, 2.14265775680542, 0.0, , 0.0, 0.117851130664349, 0.0, 1.41825187206268, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.752011358737946, 0.0, 0.0, 0.0, 0.267261236906052, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.5299997329712, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.4872226715088, 0.0, 0.0, 7.61592149734497, 0.0, 0.0, 17.0, 0.0, 152.66291809082, 0.0, 0.0, 5.28382921218872, 0.0, 156.481292724609, 0.0, 0.0, 6.88372325897217, 0.0, 0.0, 0.0, 0.0, 0.0, 94.0075912475586, 0.0, 3.32192802429199, 2.0, 48.2994079589844, 0.0, 80.0199966430664, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 3.69867062568665, 0.0, 0.0, 0.333333343267441, 2.4318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 0.0, 1.85162401199341, 1.0, 0.0, 0.5, 0.0, 0.985598564147949, 0.0, 2.0, 0.0, 0.0, 0.40824830532074, 0.0, 0.0, 0.232009291648865, 0.0, 0.0, 0.0, 0.0, -0.0882729589939117, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H10N2S%2Fc1-5-4%287%296%282%293%2Fh1-3H3%2C%28H%2C5%2C7%29, 0.0, 1.27614235877991 1.27614235877991, 0.0, 0.127835690975189, 0.0, 0.0, 0.0, 0.70710676908493 0.70710676908493, 0.0, -0.0897039845585823, 0.0, 0.0, 0.235702261328697 0.235702261328697, 0.0295907892286777, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 26.0, 36.0, 0.802492260932922 0.802492260932922, 0.0, 0.0, 0.0, 0.0, 0.368328154087067 0.368328154087067, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 0.134164080023766 0.134164080023766, 0.0, 3.06122446060181, 0.0, 0.0, 0.0, 0.0, 2.66666674613953, 0.0, 0.0, 0.0, 0.0, 0.0, 5.73606777191162, 0.0, 2.45967483520508, 0.0, , 0.0, 0.357770889997482, 0.0, 1.81803393363953, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.20000004768372, 0.0, 0.134164080023766, 0.0, 0.200000002980232, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 54.4000015258789, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.847728729248, 0.0, 0.0, 8.50071144104004, 0.0, 0.0, 46.0, 0.944940805435181, 367.093475341797, 1.0, 0.0, 11.5869159698486, 0.0, 355.403137207031, 0.0, 0.0, 11.5079116821289, 0.0, 0.0, 0.0, 0.0, 1.5, 376.565032958984, 2.0, 3.80735492706299, 6.0, 262.535614013672, 1.0, 214.029998779297, 0.0, 67.3225250244141, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 5.86180734634399, 0.0, 0.0, 0.5, 3.18073916435242, 0.0, 0.0, 0.0, 0.569035589694977, 1.0, 2.62954902648926, 0.0, 0.0, 0.0, 0.0, 1.78202176094055, 0.235702261328697, 0.0, 0.0, 0.0, 0.471404522657394, 0.0, 0.0, 0.18100044131279, 0.0, 0.0, 0.0, 0.0, -0.158222705125809, 1.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC20H18ClNO6%2Fc1-10-7-12-14%2821%299-13%2817%2823%2916%2812%2920%2827%2928-10%2918%2824%2922-15%2819%2825%2926%298-11-5-3-2-4-6-11%2Fh2-6%2C9-10%2C15%2C23H%2C7-8H2%2C1H3%2C%28H%2C22%2C24%29%28H%2C25%2C26%29%2Ft10-%2C15%2B%2Fm1%2Fs1, 0.0, 4.99356889724731 4.99356889724731, 4.27321147918701, 0.0452834330499172, 2.0, 1.0, 1.0, 7.97306680679321 7.97306680679321, 2.85468578338623, -0.0741009041666985, 0.0, 0.0, 12.3901224136353 12.3901224136353, -0.130924910306931, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 146.0, 634.0, 1.79032766819 1.79032766819, 0.0, 1.87071561813354, 0.0, 0.0, 2.40507578849792 2.40507578849792, 0.0, 0.957248628139496, 0.0, 22.6800003051758, 0.0, 0.0, 3.11953163146973 3.11953163146973, 0.0, 9.87128162384033, 0.0, 0.0, 0.0, 0.0, 5.38903045654297, 0.202978551387787, 0.0, 3.0, 0.0, 0.422605067491531, 15.6805086135864, 0.0709505453705788, 8.94531059265137, 0.132178902626038, , 16.7636432647705, 0.962798416614532, 0.0, 6.93182516098022, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.77017259597778, 0.0, 0.151590794324875, 0.0, 3.36330151557922, 1.0, 0.0, 0.0, 2.37065768241882, 0.0, 0.0, 0.0, 0.0, 1.20155489444733, 0.0, 116.419998168945, 0.0, 0.686477243900299, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 40.719554901123, 4.0, 0.0, 34.6087532043457, 0.0, 0.0, 2061.0, 0.0, 1849.86596679688, 3.0, 0.0, 52.4932632446289, 0.915256500244141, 2181.7900390625, 0.0, 0.0, 59.1099891662598, 0.0, 0.0, 0.0, 0.0, 2.30004644393921, 3080.41528320312, 62.662036895752, 5.80735492706299, 47.0, 3280.7109375, 0.0, 1548.07995605469, 0.0, 2949.25024414062, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 20.4219207763672, 0.0, 0.0, 0.5, 13.2737646102905, 0.0, 0.0, 0.0, 2.27563285827637, 1.0, 12.4878435134888, 2.0, 0.0, 7.50630474090576, 0.0, 9.9665355682373, 0.625762522220612, 17.8811626434326, 0.0, 0.0, 8.4501428604126, 6.0, 0.0, 0.755511164665222, 0.0, 0.0, 0.0, 2.0, -0.322475910186768, 0.0, 6.88363075256348, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H4N2O3%2Fc6-3-5%284-7%291-2-8-3%2Fh1-2H2, , 1.06903564929962 1.06903564929962, 0.25, 0.192991003394127, 2.0, 1.0, 0.0, 1.40829122066498 1.40829122066498, 0.0833333358168602, -0.156677961349487, , 0.0, 0.735702276229858 0.735702276229858, 0.0461367107927799, , 0.0, 1.0, 0.0, 0.0, 0.0, 36.0, 51.0, 0.205973833799362 0.205973833799362, 0.0, 0.25, 0.0, 0.0, 0.200123250484467 0.200123250484467, 0.0, 0.70710676908493, 0.0, 6.125, 0.0, 0.0, 0.0596225038170815 0.0596225038170815, 0.0, 2.51999998092651, 0.117851130664349, 0.0, 0.0, 0.0, 1.25, 0.201184466481209, 0.0456435456871986, 0.0, 0.0, 0.16666667163372, 4.03338575363159, 0.0390463136136532, 2.11933207511902, 0.0166666675359011, , 0.0, 0.107978478074074, 0.0, 1.31916093826294, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.837936818599701, 0.0, 0.0117851132526994, , 0.459378451108932, 0.0, 0.0, 0.0, 0.106544405221939, 0.0, , , 0.0, 0.025000000372529, 0.0, 58.9700012207031, 0.0, 0.00340206897817552, , 0.0, 0.0, 0.0, 0.0, 0.0, 11.0433835983276, 0.0, 0.0, 10.2421007156372, 0.0, , 61.0, 0.0, 216.992462158203, 1.0, 0.0, 13.2655143737793, 0.0, 236.928314208984, 0.0, 0.0, 9.60148525238037, 0.0, 0.0, 0.0, , 0.0, 289.521301269531, 4.88103008270264, 4.0, 7.0, 148.8271484375, 0.0, 88.0500030517578, 0.0, 45.0775375366211, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.98312759399414, , , 0.5, 3.84253525733948, 0.0, 0.0, 0.0, 0.402368932962418, 1.0, 3.07651543617249, 0.0, 0.0, 1.0, 0.0, 2.56349611282349, 0.117851130664349, 1.0, 0.0, 0.0, 1.82872819900513, 0.0, 0.0, 0.346346616744995, 0.0, 0.0, 0.0, 2.0, -0.255623072385788, 1.0, 0.664557635784149, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H17N3O4%2Fc1-12-10-3-2-9%288-11%2810%2914%2817%2918%2913%284-6-15%295-7-16%2Fh2-3%2C8%2C12%2C15-16H%2C4-7H2%2C1H3, 0.0, 2.39111232757568 2.39111232757568, 2.06219673156738, -0.184079736471176, 4.0, 0.0, 0.0, 3.65876579284668 3.65876579284668, 1.32175493240356, 0.118973515927792, 0.0, 0.0, 4.87816905975342 4.87816905975342, 0.0343369618058205, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 82.0, 244.0, 0.85537314414978 0.85537314414978, 0.0, 0.99135160446167, 0.0, 0.0, 1.1070761680603 1.1070761680603, 0.0, 0.0, 0.0, 16.0555553436279, 0.0, 0.0, 1.09820675849915 1.09820675849915, 0.25, 8.22684288024902, 0.0, 0.0, 0.0, 0.0, 4.56599283218384, 0.0680413842201233, 0.0, 2.0, 0.0, 0.126679942011833, 10.165828704834, 0.0240562614053488, 5.56530714035034, 0.0335447043180466, , 1.65096366405487, 0.360325306653976, 0.0, 3.6428234577179, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.55233263969421, 0.0, 0.0666599869728088, 0.0, 1.69061100482941, 1.0, 0.0, 0.0, 1.00296807289124, 0.0, 0.0, 0.0, 0.0, 0.506050169467926, 0.0, 101.550003051758, 0.0, 0.284815698862076, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.1778411865234, 0.0, 0.0, 20.7682266235352, 0.0, 0.0, 618.0, 0.0, 954.350341796875, 0.0, 0.0, 26.4323196411133, 1.27478933334351, 1076.61901855469, 0.0, 0.0, 29.7924003601074, 0.0, 0.0, 0.0, 0.0, 0.965489387512207, 1407.56750488281, 30.7883968353271, 5.16992521286011, 26.0, 1487.86584472656, 0.0, 919.070007324219, 0.0, 1270.50952148438, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.516397774219513, 6.0, 0.0, 13.5436058044434, 0.0, 0.0, 0.444444447755814, 8.63375854492188, 0.0, 1.0, 0.0, 0.969416081905365, 0.0, 6.98676156997681, 0.0, 0.0, 7.36638021469116, 0.0, 5.45494270324707, 0.287457466125488, 8.0069055557251, 0.0, 0.0, 4.41096067428589, 3.0, 0.0, 0.416644424200058, 0.0, 0.0, 0.0, 2.0, -0.132842302322388, 1.0, 3.36733889579773, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC6H14N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-6H2%2C1-2H3, , 0.492799282073975 0.492799282073975, 0.144337564706802, 0.0289655271917582, 4.0, 0.0, 0.0, 0.679412364959717 0.679412364959717, 0.0, -0.021219402551651, , 0.0, 0.492799282073975 0.492799282073975, -0.00431462144479156, , 0.0, 1.0, 0.0, 0.0, 0.0, 32.0, 70.0, 0.182246178388596 0.182246178388596, 0.0, 0.0, 0.0, 0.0, 0.249156385660172 0.249156385660172, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.157735019922256 0.157735019922256, 0.0, 6.125, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.0, 0.0, 0.0, 6.13110256195068, 0.0, 3.42924332618713, 0.0, , 0.0, 0.100000001490116, 0.0, 2.03531265258789, 0.0, 0.0, , 0.0, , 0.0, 1.07891142368317, 0.0, 0.0, , 0.709680795669556, 2.0, 0.0, 0.0, 0.305256456136703, , , , 0.0, 0.111803397536278, , 32.6699981689453, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 10.4944448471069, 0.0, , 9.24582481384277, 0.0, , 102.0, 0.16666667163372, 332.353576660156, 0.0, 0.0, 9.21820735931396, 3.18108296394348, 321.807281494141, 0.0, 0.0, 9.32892513275146, 0.0, 0.0, 0.0, , 0.0, 320.166931152344, 7.99655437469482, 4.16992521286011, 8.0, 283.624114990234, 0.0, 412.029998779297, 0.0, 211.265029907227, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 7.11288404464722, , , 0.5, 4.34606504440308, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.85162401199341, 0.0, 0.0, 2.94168281555176, , 1.9711971282959, 0.0, 0.0, 0.0, 0.0, 1.3690824508667, 0.0, 0.0, 0.058386106044054, 0.0, 0.0, 0.0, 1.0, -0.0322722084820271, 1.0, 0.696923434734344, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H6N6%2Fc4-1-7-2%285%299-3%286%298-1%2Fh%28H6%2C4%2C5%2C6%2C7%2C8%2C9%29, 0.0, 1.0 1.0, 0.696923434734344, 0.25616443157196, 0.0, 0.0, 0.0, 1.99578189849854 1.99578189849854, 0.0, -0.228743344545364, 0.0, 0.0, 1.74740028381348 1.74740028381348, 0.0794921293854713, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 42.0, 63.0, 0.1875 0.1875, 0.0, 0.0, 0.0, 0.0, 0.234375 0.234375, 0.0, 0.0, 0.0, 7.11111116409302, 0.0, 0.0, 0.1640625 0.1640625, 0.0, 2.72222232818604, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0680413842201233, 0.0, 0.0, 0.0, 0.20412415266037, 4.5, 0.015625, 2.25, 0.0234375, , 1.5, 0.1875, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 0.46875, 0.0, 0.0, 0.0, 0.1875, 0.0, 0.0, 0.0, 0.0, 0.0703125, 0.0, 107.639999389648, 0.75, 0.0, 0.0, 3.57165241241455, 0.0, 0.0, 0.0, 0.0, 11.1599283218384, 0.0, 0.0, 10.4956674575806, 0.0, 0.0, 84.0, 0.0, 408.964691162109, 3.0, 0.0, 15.2398920059204, 0.0, 444.217102050781, 0.0, 0.0, 10.4956674575806, 0.0, 0.0, 0.0, 0.0, 0.0, 554.723510742188, 8.15992832183838, 4.16992521286011, 9.0, 399.012634277344, 0.0, 153.059997558594, 0.0, 196.642059326172, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 0.0, 6.85337114334106, 0.0, 0.0, 0.25, 4.18154048919678, 0.0, 3.0, 0.0, 0.866025388240814, 0.0, 4.02262210845947, 0.0, 0.0, 0.0, 0.0, 2.41421365737915, 0.0, 0.0, 0.0, 0.0, 2.34933519363403, 0.0, 0.0, 0.224194183945656, 0.0, 0.0, 0.0, 0.0, -0.219010308384895, 0.0, 0.985598564147949, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3, 0.0, 0.0 0.0, 0.0, -0.0235078223049641, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 6.0, 6.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.98559856414795, 0.0, 0.813052535057068, 0.0, , 0.0, 0.0, 0.0, 0.235702261328697, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.77446913719177, 0.0, 0.0, 2.33209204673767, 0.0, 0.0, 4.0, 0.0, 39.1578178405762, 0.0, 0.0, 1.33209192752838, 1.0, 26.5063018798828, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.4356460571289, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 30.0100002288818, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.5, 1.41421353816986, 1.0, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.133489936590195, 0.0, 0.0, 0.0, 1.0, -0.0432371459901333, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2, , 0.492799282073975 0.492799282073975, 0.348461717367172, -0.0674794390797615, 4.0, 1.0, 0.0, 0.594861328601837 0.594861328601837, 0.144337564706802, 0.0658413767814636, , 0.0, 0.492799282073975 0.492799282073975, -0.0525126047432423, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 60.0, 0.182246178388596 0.182246178388596, 0.0, 0.0, 0.0, 0.0, 0.16547004878521 0.16547004878521, 0.0, 0.200000002980232, 0.0, 6.125, 0.0, 0.0, 0.105219885706902 0.105219885706902, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 4.53935098648071, 0.0456435456871986, 2.59238004684448, 0.020412415266037, , 0.0, 0.100000001490116, 0.0, 1.64768517017365, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.10294711589813, 0.0, 0.0, , 0.635363698005676, 0.0, 0.0, 0.0, 0.364929646253586, , , , 0.0, 0.0643950551748276, 0.0, 41.9000015258789, 0.0, 0.0166666675359011, , 0.0, 0.0, 0.0, , 0.0, 10.2689142227173, 0.0, 0.0, 9.91000843048096, 0.0, , 64.0, 0.0, 262.876770019531, 0.0, 0.0, 10.8823909759521, 0.0, 277.3349609375, 0.0, 0.0, 8.55002021789551, 0.0, 0.0, 0.0, , 0.0, 311.561798095703, 4.21764993667603, 4.0, 7.0, 211.328048706055, 0.0, 200.039993286133, 0.0, 63.7756233215332, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.81999111175537, , , 0.400000005960464, 3.9318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.91228413581848, 0.0, 0.0, 3.30192732810974, , 2.30209517478943, 0.0, 0.0, 0.0, 0.0, 1.59538793563843, 0.0, 0.0, 0.246514722704887, 0.0, 0.0, 0.0, 1.0, -0.114698752760887, 1.0, 1.10517168045044, 0.0, 0.0, 0.0
-InChI%3D1S%2FCH2ClF%2Fc2-1-3%2Fh1H2, 0.0, 0.0 0.0, 0.0, 0.0242806822061539, 1.0, 0.0, 1.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 6.0, 6.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.21896457672119, 0.0, 1.06904494762421, 0.0, , 0.0, 0.0, 0.0, 0.303045749664307, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.2147979736328, 0.0, 0.0, 4.533522605896, 0.0, 0.0, 4.0, 0.0, 44.1005363464355, 0.0, 0.0, 4.66901445388794, 0.0, 30.7144584655762, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.5047273635864, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 10.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.5, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.161535024642944, 0.0, 0.0, 0.0, 0.0, -0.105048194527626, 0.0, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC11H14N2O4%2Fc1-8%282%2916-9-6-4-5-7-10%289%2917-11%2814%2913%283%2912-15%2Fh4-8H%2C1-3H3, 0.0, 2.31178212165833 2.31178212165833, 1.61946988105774, 0.12147781252861, 0.0, 2.0, 0.0, 2.93033885955811 2.93033885955811, 1.0665534734726, -0.0245032403618097, 0.0, 0.0, 3.75760746002197 3.75760746002197, -0.0948633179068565, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 78.0, 234.0, 0.560572743415833 0.560572743415833, 0.0, 0.25, 0.0, 0.0, 0.598572313785553 0.598572313785553, 0.0, 0.977846026420593, 0.0, 15.0588235855103, 0.0, 0.0, 0.641880691051483 0.641880691051483, 0.0, 7.43801641464233, 0.0, 0.0, 0.0, 0.0, 5.01760005950928, 0.0833333358168602, 0.0, 0.0, 0.0, 0.117851130664349, 9.91417217254639, 0.0277777779847383, 5.08764410018921, 0.0226804614067078, , 2.52506470680237, 0.490821182727814, 0.0, 3.58656692504883, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.79579615592957, 0.0, 0.0305555555969477, 0.0, 1.07923436164856, 3.0, 0.0, 0.0, 0.688663840293884, 0.0, 0.0, 0.0, 0.0, 0.304850846529007, 0.0, 68.1999969482422, 0.0, 0.15500682592392, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.8178520202637, 0.0, 0.0, 19.9062843322754, 0.333333343267441, 0.0, 546.0, 0.595275402069092, 776.541748046875, 1.0, 0.0, 26.7597885131836, 2.27924919128418, 854.248291015625, 0.0, 0.0, 27.036413192749, 0.0, 0.0, 0.0, 0.0, 3.67871379852295, 1086.45166015625, 24.0400447845459, 5.08746290206909, 22.0, 1051.31408691406, 0.0, 689.059997558594, 0.0, 920.039855957031, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 7.0, 0.0, 12.8364992141724, 0.0, 0.0, 0.444444447755814, 8.04091262817383, 0.0, 0.0, 0.0, 1.21298611164093, 1.0, 7.03268384933472, 1.0, 0.0, 3.96540641784668, 0.0, 5.130539894104, 0.25, 5.91147565841675, 0.0, 0.0, 3.62277698516846, 4.0, 0.0, 0.502084016799927, 0.0, 0.0, 0.0, 2.0, -0.327963024377823, 1.0, 2.73376631736755, 0.0, 0.0, 0.0
-InChI%3D1S%2FC14H18ClNO4S%2Fc1-9-5-10%282%298-16%287-9%2921%2819%2C20%2911-3-4-13%2815%2912%286-11%2914%2817%2918%2Fh3-4%2C6%2C9-10H%2C5%2C7-8H2%2C1-2H3%2C%28H%2C17%2C18%29%2Ft9-%2C10%2B, 0.0, 5.00266027450562 5.00266027450562, 2.95849251747131, 0.141889914870262, 3.0, 0.0, 1.0, 7.12658929824829 7.12658929824829, 1.62857556343079, -0.0976778417825699, 0.0, 0.0, 9.75466823577881 9.75466823577881, 0.00365432538092136, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 110.0, 311.0, 2.53184008598328 2.53184008598328, 0.0, 1.44224953651428, 1.0, 0.0, 3.68189668655396 3.68189668655396, 0.0, 0.0, 0.0, 17.3553714752197, 0.0, 0.0, 4.62019157409668 4.62019157409668, 0.0, 6.62993574142456, 0.0, 0.0, 0.0, 0.0, 3.85484838485718, 0.136082768440247, 0.0, 1.0, 0.0, 0.311449229717255, 13.1282472610474, 0.0767608880996704, 7.93219137191772, 0.2112747579813, , 4.39421653747559, 1.49243760108948, 0.0, 7.21116828918457, 0.0, 0.0, 0.0, 0.0323152802884579, 0.0, 0.0, 4.99806213378906, 0.0, 0.248749971389771, 0.0, 3.93716096878052, 2.0, 0.0269294008612633, 0.0, 2.69904756546021, 0.0, 0.0, 0.0, 0.0, 1.74055171012878, 0.0, 83.0599975585938, 0.0, 0.906793415546417, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 38.2983703613281, 3.0, 0.0, 33.8443412780762, 0.0, 0.0, 888.0, 0.25, 1739.97216796875, 1.0, 0.0, 48.0654106140137, 3.00788450241089, 2047.27709960938, 0.0, 0.0, 52.3503837585449, 0.0, 0.0, 0.0, 0.0, 2.7623987197876, 2948.66162109375, 52.4821090698242, 5.39231729507446, 35.0, 3016.94311523438, 0.0, 1180.06994628906, 0.0, 2547.84643554688, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 15.7840929031372, 0.0, 0.0, 0.444444447755814, 9.7132511138916, 0.0, 0.0, 0.0, 2.48182725906372, 0.0, 9.83087253570557, 2.0, 0.16666667163372, 4.46858263015747, 0.0, 7.39726877212524, 0.854316294193268, 11.9949750900269, 0.0, 0.0, 5.84961462020874, 3.0, 0.0, 0.440907984972, 0.16666667163372, 0.0, 0.0, 3.0, -0.219234779477119, 1.0, 4.41296148300171, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3, 0.0, 1.49826681613922 1.49826681613922, 0.565641164779663, -0.0226951669901609, 0.0, 0.0, 0.0, 2.17455840110779 2.17455840110779, 0.240562617778778, -0.0147978775203228, 0.0, 0.0, 2.13370633125305 2.13370633125305, -0.00175177957862616, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 46.0, 76.0, 0.463156819343567 0.463156819343567, 0.0, 0.5, 0.0, 0.0, 0.491504997014999 0.491504997014999, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.390184938907623 0.390184938907623, 0.0, 3.40828394889832, 0.0, 0.0, 0.0, 0.0, 1.99111115932465, 0.0833333358168602, 0.0, 0.0, 0.0, 0.131445854902267, 5.57311105728149, 0.0277777779847383, 2.91610550880432, 0.0402003787457943, , 1.0, 0.246155083179474, 0.0, 2.04359650611877, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.31215047836304, 0.0, 0.0480260848999023, 0.0, 0.768270313739777, 1.0, 0.0, 0.0, 0.382261961698532, 0.0, 0.0, 0.0, 0.0, 0.118254981935024, 0.0, 45.8199996948242, 0.0, 0.0327086187899113, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.9089260101318, 1.0, 0.0, 11.2731170654297, 0.0, 0.0, 114.0, 0.0, 416.365631103516, 0.0, 0.0, 14.7710237503052, 1.3731781244278, 455.863525390625, 0.0, 0.0, 13.8269233703613, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 567.701110839844, 10.1587371826172, 4.32192802429199, 12.0, 467.438720703125, 0.0, 199.029998779297, 0.0, 224.225357055664, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 7.56047773361206, 0.0, 0.0, 0.400000005960464, 4.71521425247192, 0.0, 0.0, 0.0, 0.705118358135223, 0.0, 4.16961240768433, 0.0, 0.0, 3.96540641784668, 0.0, 3.03412985801697, 0.232307806611061, 4.29827976226807, 0.0, 0.0, 2.33534574508667, 4.0, 0.0, 0.065136082470417, 0.0, 0.0, 0.0, 2.0, 0.00671548675745726, 0.0, 1.34171581268311, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29, 0.0, 1.33333337306976 1.33333337306976, 0.0, -0.157440677285194, 0.0, 0.0, 2.0, 0.0 0.0, 0.0, 0.100744463503361, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 22.0, 24.0, 0.437030732631683 0.437030732631683, 0.0, 0.5, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.22222232818604, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 1.0, 0.0, 0.0, 4.200599193573, 0.0, 2.0257134437561, 0.0, , 1.0, 0.423858374357224, 0.0, 1.73519885540009, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.560031235218048, 0.0, 0.067763090133667, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 37.2999992370605, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.9744453430176, 0.0, 0.0, 9.56765842437744, 0.0, 0.0, 29.0, 0.0, 210.162460327148, 1.0, 0.0, 19.0548820495605, 0.0, 200.022796630859, 0.0, 0.0, 15.7279424667358, 0.0, 0.0, 0.0, 0.0, 0.0, 194.496383666992, 0.0, 3.58496260643005, 4.0, 98.8671493530273, 0.0, 19.0400009155273, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.154700756073, 0.0, 0.0, 0.333333343267441, 2.64273452758789, 0.0, 0.0, 0.0, 0.666666686534882, 0.0, 2.48803377151489, 1.0, 0.0, 0.0, 0.0, 1.33333337306976, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.332954734563828, 0.0, 0.0, 0.0, 1.0, -0.10978115350008, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H14N2O4S%2Fc1-9-3-5-10%286-4-9%2917%2814%2C15%2916-8-7-12%282%2911-13%2Fh3-6H%2C7-8H2%2C1-2H3, , 3.02018260955811 3.02018260955811, 1.8101714849472, 0.0962150171399117, 2.0, 1.0, 0.0, 3.46236133575439 3.46236133575439, 0.813965380191803, -0.00520477490499616, , 0.0, 3.5672926902771 3.5672926902771, -0.129175797104836, , 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 80.0, 278.0, 1.08828043937683 1.08828043937683, 0.0, 0.650697648525238, 1.0, 0.0, 1.03033792972565 1.03033792972565, 0.0, 1.10520946979523, 0.0, 15.0588235855103, 0.0, 0.0, 1.02750933170319 1.02750933170319, 0.0, 6.80529308319092, 0.0, 0.0, 0.0, 0.0, 5.01760005950928, 0.0833333358168602, 0.0, 0.0, 0.0, 0.125, 10.1181449890137, 0.0277777779847383, 5.75160121917725, 0.0518641658127308, , 0.333333343267441, 0.728383183479309, 0.0, 4.45986843109131, 0.0, 0.0, , 0.0294996798038483, 0.0, 0.0, 2.84788918495178, 0.0, 0.0722591653466225, , 1.59837079048157, 2.0, 0.00983322691172361, 0.0, 1.08890414237976, 0.0, , , 0.0, 0.694599032402039, 0.0, 84.4199981689453, 0.0, 0.265854060649872, , 0.0, 0.0, 0.0, 0.0, 0.0, 26.9456043243408, 1.0, 0.0, 27.9169006347656, 0.0, , 584.0, 0.100000001490116, 1035.41735839844, 0.0, 0.0, 32.7131538391113, 2.80282783508301, 1144.435546875, 0.0, 0.0, 31.0499267578125, 0.0, 0.0, 0.0, , 1.0433896780014, 1516.41015625, 24.6576347351074, 5.08746290206909, 22.0, 1388.28503417969, 0.0, 689.070007324219, 0.0, 1052.51599121094, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 3.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 5.0, 0.0, 12.8889055252075, , , 0.454545468091965, 7.95352554321289, 0.0, 0.0, 0.0, 1.77216470241547, 1.0, 7.35102558135986, 0.0, 0.20412415266037, 5.03405094146729, , 5.33598804473877, 0.348461717367172, 5.67068290710449, 0.0, 0.0, 3.35594153404236, 4.0, 0.0, 0.340674638748169, 0.102062076330185, 0.0, 0.0, 3.0, -0.202354148030281, 1.0, 2.34169769287109, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H12N2O3.Na%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%3B%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 3.75820827484131 3.75820827484131, 2.31121063232422, 0.316538482904434, 1.0, 0.0, 0.0, 7.24003458023071 7.24003458023071, 1.17533838748932, -0.429574400186539, 0.0, 0.0, 8.61607551574707 8.61607551574707, 0.204809412360191, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 88.0, 1640261632.0, 1.25214540958405 1.25214540958405, 0.0, 0.75, 0.0, 0.0, 1.69809079170227 1.69809079170227, 0.0, 0.0, 0.0, 16.0555553436279, 0.0, 0.0, 1.48883140087128 1.48883140087128, 0.0, 6.43787002563477, 0.0, 1.0, 0.0, 0.0, 2.80496716499329, 0.150174587965012, 0.0, 1.0, 0.0, 0.25716707110405, 8.84374713897705, 0.0445750132203102, 5.04350185394287, 0.0418196171522141, , 2.67269611358643, 0.50182318687439, 0.0, 3.56649994850159, 0.0, 3.03934264183044, 0.0, 0.0441941730678082, 0.0, 0.0, 2.72258996963501, 0.0, 0.127614244818687, 0.0, 1.76189172267914, 1.0, 0.0235702265053988, 0.0, 1.02248740196228, 0.0, 0.0, 0.0, 0.0, 0.47629052400589, 0.0, 85.0800018310547, 0.0, 0.223564103245735, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.7071685791016, 1.0, 0.0, 19.6610164642334, 0.0, 0.0, 17000000512.0, 0.0, 1063.35485839844, 3.0, 0.0, 29.570405960083, 1.63976919651031, 1262.08947753906, 1.0, 0.0, 35.3180313110352, 0.0, 0.0, 0.0, 0.0, 1.17348229885101, 1822.78662109375, 35.7520942687988, 5.16992521286011, 31.0, 1976.37292480469, 0.0, 535.059997558594, 0.5, 1529.02648925781, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 6.0, 0.0, 12.4662551879883, 0.0, 0.0, 0.999000012874603, 8.10822582244873, 0.0, 0.0, 0.0, 1.29103946685791, 2.0, 7.17953109741211, 0.0, 0.0680413842201233, 6.94562911987305, 0.0, 6.324462890625, 0.635379731655121, 7.5181999206543, 0.0, 0.0, 5.65824890136719, 5.0, 0.0, 0.482461720705032, 0.130245730280876, 2.62074136734009, 0.0, 1.0, -0.325257450342178, 0.0, 3.53914260864258, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC2H6N2O%2Fc1-3-4%282%295%2Fh1-2H3, 0.0, , , -0.0511213056743145, 0.0, 0.0, 0.0, , , 0.00920144189149141, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, , 0.0, 0.0, 0.0, , , , 0.0, 0.0, 5.0, , 0.0, , 0.0, 2.25, , 0.0, 0.0, , 4.0, , , 0.0, 0.0, , , , , , , 0.0, , 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, , 0.0, , 2.0, , 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 41.1100006103516, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.49444532394409, 0.0, 0.0, 5.24582433700562, 0.0, 0.0, 18.0, 0.333333343267441, , 0.0, 0.0, 5.21792840957642, 0.0, , 0.0, 0.0, 2.33209204673767, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 3.32192802429199, 2.0, , 0.0, 80.0299987792969, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.333333343267441, , 0.0, 0.0, 0.0, , 1.0, , 0.0, , 0.0, 0.0, , , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.125866964459419, , 0.0, 0.0, 1.0, -0.0210136231034994, 0.0, , 0.0, 0.0, 0.0
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-InChI%3D1S%2FC12H9N3O3S%2Fc16-12-7-3-1-2-4-8%287%2913-11%2814-12%299-5-6-10%2819-9%2915%2817%2918%2Fh1-6%2C11%2C13H%2C%28H%2C14%2C16%29, 0.0, 3.28471231460571 3.28471231460571, 3.30791139602661, 0.0260030757635832, 0.0, 0.0, 0.0, 4.77707195281982 4.77707195281982, 2.19343996047974, 0.0467441938817501, 0.0, 0.0, 6.46119165420532 6.46119165420532, -0.132208362221718, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 102.0, 318.0, 1.38852727413177 1.38852727413177, 0.0, 0.595275402069092, 0.0, 0.0, 1.71969139575958 1.71969139575958, 0.0, 0.0, 0.0, 13.9591836929321, 0.0, 0.0, 1.83527803421021 1.83527803421021, 0.0, 5.78000020980835, 0.117851130664349, 0.0, 0.0, 0.0, 2.88000011444092, 0.274971663951874, 0.102062076330185, 1.0, 0.0, 0.544827580451965, 10.424334526062, 0.148484319448471, 6.33429670333862, 0.181132480502129, , 6.07259321212769, 0.658393144607544, 0.0, 5.07208108901978, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.86295175552368, 0.0, 0.107262946665287, 0.0, 2.70886492729187, 0.0, 0.0, 0.0, 1.7320464849472, 0.0, 0.0, 0.0, 0.0, 1.03120076656342, 0.0, 118.680000305176, 0.0, 0.591856837272644, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 28.5311241149902, 1.0, 0.0, 26.6095199584961, 0.0, 0.0, 701.0, 0.0, 1356.65380859375, 1.0, 0.0, 40.8041305541992, 0.0, 1621.06530761719, 0.0, 0.0, 41.4958534240723, 0.0, 0.0, 0.0, 0.0, 0.0, 2288.08251953125, 32.5471611022949, 5.24792766571045, 29.0, 2099.146484375, 0.0, 558.070007324219, 0.0, 1744.9150390625, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.400000005960464, 8.0, 0.0, 13.4054126739502, 0.0, 0.0, 0.5, 9.14786720275879, 0.0, 1.0, 0.0, 1.3717850446701, 1.0, 8.49438858032227, 1.0, 0.0, 4.70643424987793, 0.0, 7.10202932357788, 0.414266437292099, 11.3806419372559, 0.0, 0.0, 5.88682413101196, 6.0, 0.0, 0.311345279216766, 0.0, 0.0, 0.0, 2.0, -0.155254080891609, 0.0, 4.59363174438477, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H8O2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4%2C8-9H%2C1H3, 0.0, 1.47827804088593 1.47827804088593, 0.504473328590393, -0.0821357741951942, 0.0, 0.0, 0.0, 1.55802857875824 1.55802857875824, 0.0680413842201233, 0.0340674221515656, 0.0, 0.0, 2.07593297958374 2.07593297958374, -0.00126490369439125, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 42.0, 67.0, 0.381371676921844 0.381371676921844, 0.0, 0.333333343267441, 0.0, 0.0, 0.356103539466858 0.356103539466858, 0.0, 0.0, 0.0, 7.11111116409302, 0.0, 0.0, 0.367550253868103 0.367550253868103, 0.0, 2.72222232818604, 0.0, 0.0, 0.0, 0.0, 1.70414197444916, 0.0680413842201233, 0.0, 2.0, 0.0, 0.20412415266037, 5.12647819519043, 0.0240562614053488, 2.68524742126465, 0.0455728359520435, , 1.65096366405487, 0.295766115188599, 0.0, 1.99216866493225, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.13091611862183, 0.0, 0.0166666675359011, 0.0, 0.633467674255371, 1.0, 0.0, 0.0, 0.377514511346817, 0.0, 0.0, 0.0, 0.0, 0.109779573976994, 0.0, 40.4599990844727, 0.0, 0.00481125246733427, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.5489377975464, 1.0, 0.0, 9.66418361663818, 0.0, 0.0, 84.0, 0.0, 392.791473388672, 0.0, 0.0, 13.3283681869507, 1.31037068367004, 425.86669921875, 0.0, 0.0, 12.1028366088867, 0.0, 0.0, 0.0, 0.0, 1.31037068367004, 532.6435546875, 4.99627590179443, 4.16992521286011, 10.0, 401.422637939453, 0.0, 217.020004272461, 0.0, 141.229187011719, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 6.85337114334106, 0.0, 0.0, 0.400000005960464, 4.19837713241577, 0.0, 0.0, 0.0, 0.760079681873322, 0.0, 3.87279200553894, 0.0, 0.0, 1.65096366405487, 0.0, 2.86036610603333, 0.16666667163372, 5.85380077362061, 0.0, 0.0, 1.81676292419434, 3.0, 0.0, 0.166801363229752, 0.0, 0.0, 0.0, 0.0, -0.0340464487671852, 0.0, 1.33160018920898, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H10N3O.ClH%2Fc9-4-3-6-1-2-8%2812%297%285-6%2911-10%3B%2Fh1-2%2C5%2C10H%2C3-4%2C9H2%3B1H, 0.0, 1.45393574237823 1.45393574237823, 1.09366118907928, -0.0864598602056503, 2.0, 0.0, 0.0, 2.00701880455017 2.00701880455017, 0.625445246696472, 0.0317313522100449, 0.0, 0.0, 2.39309597015381 2.39309597015381, 0.0344801470637321, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 54.0, -1769803776.0, 0.471631586551666 0.471631586551666, 0.0, 0.0, 0.0, 0.0, 0.504645347595215 0.504645347595215, 0.0, 0.0, 0.0, 13.0, 0.0, 0.0, 0.507469296455383 0.507469296455383, 0.0, 6.45333337783813, 0.0, 0.0, 0.0, 0.0, 3.70370364189148, 0.0680413842201233, 0.0, 0.0, 0.0, 0.164266422390938, 7.56371450424194, 0.0240562614053488, 3.55751299858093, 0.0438416190445423, , 1.65096366405487, 0.278838753700256, 1.0, 2.48075008392334, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.55791294574738, 0.0, 0.0240562614053488, 0.0, 0.954966366291046, 0.0, 0.0, 0.0, 0.566849708557129, 0.0, 0.0, 0.0, 0.0, 0.256277352571487, 0.0, 43.0900001525879, 0.142857149243355, 0.0881144553422928, 0.0, 0.816496610641479, 1.0, 0.0, 0.0, 0.0, 22.5671863555908, 0.0, 0.0, 13.024450302124, 0.0, 0.0, 12000000000.0, 0.0, 645.029907226562, 3.0, 0.0, 16.3289241790771, 0.0, 701.324768066406, 0.0, 0.0, 17.0485763549805, 0.0, 0.0, 0.0, 0.0, 0.0, 874.03515625, 12.8826694488525, 4.70043992996216, 15.0, 786.752685546875, 0.0, 328.049987792969, 0.0, 496.414978027344, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 1.0, 0.0, 8.97469139099121, 0.0, 0.0, 0.999000012874603, 5.77438688278198, 3.0, 0.0, 0.0, 0.606493055820465, 0.0, 4.61336469650269, 0.0, 0.0, 4.55655384063721, 0.0, 3.692378282547, 0.117851130664349, 7.67819404602051, 0.0, 0.0, 2.75208020210266, 0.0, 0.0, 0.199612781405449, 0.0, 0.0, 0.0, 1.0, -0.0441598109900951, 0.0, 1.97430825233459, 0.0, 0.0, 0.0
-InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H, 0.0, 0.0 0.0, 0.0, 0.0365601144731045, 0.0, 0.0, 3.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 9.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 3.97903060913086, 0.0, 1.96396100521088, 0.0, , 0.0, 0.841697573661804, 0.0, 2.22692251205444, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.1382598876953, 0.0, 0.0, 8.85521221160889, 0.0, 0.0, 9.0, 0.0, 177.885971069336, 0.0, 0.0, 26.1382598876953, 0.0, 151.20263671875, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 105.975578308105, 0.0, 3.0, 0.0, 0.0, 0.0, 4.03000020980835, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.5, 1.73205077648163, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.73205077648163, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.146240457892418, 0.0, 0.0, 0.0, 0.0, -0.109680347144604, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H12N2O4%2Fc8-2-1-7%286-11%293-5%2810%294-9%2Fh5%2C8-10H%2C1-4H2, , 0.921654641628265 0.921654641628265, 0.402368932962418, -0.132803082466125, 4.0, 0.0, 0.0, 1.09341299533844 1.09341299533844, 0.0833333358168602, 0.080247737467289, , 0.0, 1.17466759681702 1.17466759681702, -0.0187280792742968, , 0.0, 0.75, 0.0, 0.0, 0.0, 42.0, 105.0, 0.284740597009659 0.284740597009659, , 1.16253924369812, 0.0, 0.0, 0.283994674682617 0.283994674682617, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.211227580904961 0.211227580904961, 0.0, 6.69421482086182, 0.0, 0.0, 0.0, 0.0, 5.28925609588623, 0.0, 0.0, 3.0, 0.0, 0.0, 6.05009365081787, 0.0, 3.22218060493469, 0.0, , 0.0, 0.229099437594414, 0.0, 2.05428457260132, 0.0, 0.0, , 0.0, , 0.0, 1.10583126544952, 0.0, 0.0, , 0.581884324550629, 0.0, 0.0, 0.0, 0.269578874111176, , , , 0.0, 0.0865333676338196, , 93.3600006103516, 0.0, 0.0129099441692233, , 0.0, 0.0, 0.0, , 0.0, 14.8178520202637, 0.0, , 12.2421007156372, 0.0, , 176.0, 0.0, 366.863006591797, 0.0, 0.0, 13.5465745925903, 0.0, 375.336242675781, 0.0, 0.0, 14.3762331008911, 0.0, 0.0, 0.0, , 0.0, 406.310699462891, 13.1549510955811, 4.45943164825439, 11.0, 362.278961181641, 0.0, 374.059997558594, 0.0, 290.172515869141, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 8.69023418426514, , , 0.428571432828903, 5.23991203308105, 0.0, 0.0, 0.0, 0.492799282073975, 1.0, 3.8120710849762, 1.0, 0.0, 2.40685200691223, , 2.70689940452576, 0.0, 2.14913988113403, 0.0, 0.0, 1.63259243965149, 0.0, 0.0, 0.345785915851593, 0.0, 0.0, 0.0, 1.0, -0.0820218622684479, 1.0, 1.04337978363037, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC4H5NS%2Fc1-2-3-5-4-6%2Fh2H%2C1%2C3H2, 0.0, 0.0 0.0, 0.0, 0.0275007374584675, 1.0, 0.0, 0.0, 0.0 0.0, 0.0, -0.00359480432234704, 0.0, 0.0, 0.0 0.0, -0.000386507163057104, 0.0, 0.0, 0.666666686534882, 1.0, 0.0, 0.0, 18.0, 38.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 5.0, 0.0, 0.0, 0.0, 0.0, 5.33333349227905, 0.0, 0.0, 0.0, 0.0, 0.0, 4.16352224349976, 0.0, 1.96870362758636, 0.0, , 0.0, 0.0, 0.0, 0.903224468231201, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.414035707712173, 0.0, 0.0, 0.0, 0.176353126764297, 0.0, 0.0, 0.0, 0.079056940972805, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 44.4500007629395, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.4877414703369, 0.0, 0.0, 7.00215578079224, 0.0, 0.0, 35.0, 0.0, 248.743774414062, 0.0, 0.0, 6.27964925765991, 1.5, 215.699356079102, 0.0, 0.0, 4.83597040176392, 0.0, 0.0, 0.0, 0.0, 0.0, 169.27311706543, 3.66978526115417, 3.58496260643005, 3.0, 122.012886047363, 0.0, 70.0199966430664, 0.0, 74.9450073242188, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 4.8284273147583, 0.0, 0.0, 0.400000005960464, 2.91421365737915, 1.0, 0.0, 0.0, 0.0, 1.0, 1.70710682868958, 0.0, 0.0, 1.65096366405487, 0.0, 0.95710676908493, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.10820547491312, 0.0, 0.0, 0.0, 0.0, -0.0777033120393753, 0.0, 0.25, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296, 0.0, 1.33333337306976 1.33333337306976, 0.0, -0.0672608613967896, 0.0, 0.0, 4.0, 0.0 0.0, 0.0, 0.0448405742645264, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 22.0, 24.0, 1.4578629732132 1.4578629732132, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.22222232818604, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.53557348251343, 0.0, 2.51778674125671, 0.0, , 1.0, 0.642857134342194, 0.0, 2.41960763931274, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.28571426868439, 0.0, 0.413265317678452, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 36.8510131835938, 0.0, 0.0, 12.8069496154785, 0.0, 0.0, 29.0, 0.0, 374.542022705078, 2.0, 0.0, 29.2324562072754, 0.0, 360.666381835938, 0.0, 0.0, 34.8510131835938, 0.0, 0.0, 0.0, 0.0, 0.0, 356.131713867188, 0.0, 3.58496260643005, 4.0, 182.736328125, 0.0, 5.03999996185303, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.154700756073, 0.0, 0.0, 0.333333343267441, 2.64273452758789, 0.0, 0.0, 0.0, 0.666666686534882, 0.0, 2.48803377151489, 0.0, 0.0, 0.0, 0.0, 1.33333337306976, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.134521722793579, 0.0, 0.0, 0.0, 0.0, -0.0448405742645264, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC16H12N2O4%2Fc1-21-15-7-11%283-5-13%2815%2917-9-19%2912-4-6-14%2818-10-20%2916%288-12%2922-2%2Fh3-8H%2C1-2H3, 0.0, 2.83955383300781 2.83955383300781, 3.27899479866028, 0.0822653770446777, 0.0, 2.0, 0.0, 4.52105855941772 4.52105855941772, 2.2660276889801, 0.227316841483116, 0.0, 0.0, 6.01738595962524 6.01738595962524, -0.359593778848648, 0.0, 0.0, 0.857142865657806, 0.0, 0.0, 0.0, 106.0, 436.0, 0.935856699943542 0.935856699943542, 0.0, 0.0769230797886848, 0.0, 0.0, 1.18002331256866 1.18002331256866, 0.0, 0.565685451030731, 0.0, 18.3402652740479, 0.0, 0.0, 1.25627017021179 1.25627017021179, 0.0, 9.33333301544189, 0.0, 0.0, 0.0, 0.0, 4.75, 0.136082768440247, 0.0, 0.0, 0.0, 0.271017521619797, 11.9915218353271, 0.0481125228106976, 6.25348806381226, 0.0652146935462952, , 5.26933193206787, 0.413617253303528, 0.0, 4.17943716049194, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.02496814727783, 0.0, 0.0582068078219891, 0.0, 1.99745404720306, 2.0, 0.0, 0.0, 1.32508969306946, 0.0, 0.0, 0.0, 0.0, 0.720633685588837, 0.0, 77.3199996948242, 0.0, 0.410250902175903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.8178520202637, 2.0, 0.0, 25.6572933197021, 0.142857149243355, 0.0, 1119.0, 0.111111111938953, 1240.69995117188, 0.0, 0.0, 33.100040435791, 2.94648861885071, 1438.11962890625, 0.0, 0.0, 37.7642250061035, 0.0, 0.0, 0.0, 0.0, 2.7623987197876, 1963.3369140625, 35.9856605529785, 5.45943164825439, 34.0, 2071.6337890625, 0.0, 763.059997558594, 0.0, 1742.03283691406, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.111111111938953, 0.0, 0.0, 0.0, 10.0, 0.0, 15.9493827819824, 0.0, 0.0, 0.461538463830948, 10.72740650177, 0.0, 0.0, 0.0, 1.0, 2.0, 8.58043003082275, 0.0, 0.0, 7.4118709564209, 0.0, 7.39518117904663, 0.25, 16.784143447876, 0.0, 0.0, 6.08401489257812, 6.0, 0.0, 0.848049819469452, 0.0, 0.0, 0.0, 2.0, -0.553697109222412, 0.0, 4.89532232284546, 0.0, 0.0, 0.0
-InChI%3D1S%2FC18H22ClNO.ClH%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%3B%2Fh2-11%2C16H%2C12-15H2%2C1H3%3B1H, 0.0, 1.83813297748566 1.83813297748566, 2.12191319465637, -0.115867719054222, 4.0, 1.0, 1.0, 2.53463435173035 2.53463435173035, 1.40283596515656, 0.205752536654472, 0.0, 0.0, 3.28742074966431 3.28742074966431, -0.0757292881608009, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 98.0, 1050326976.0, 1.02442514896393 1.02442514896393, 0.0, 0.0, 0.0, 0.0, 1.22328150272369 1.22328150272369, 0.0, 0.0, 0.0, 20.0454540252686, 0.0, 0.0, 1.46049082279205 1.46049082279205, 0.0, 11.5226335525513, 0.0, 0.0, 0.0, 0.0, 7.421875, 0.20412415266037, 0.0, 0.0, 0.0, 0.144337564706802, 14.3933801651001, 0.0641500279307365, 7.84575653076172, 0.0357750318944454, , 0.793700516223907, 0.497566133737564, 0.0, 5.4960994720459, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.62700366973877, 0.0, 0.0912870913743973, 0.0, 2.43783378601074, 1.0, 0.0, 0.0, 1.68254327774048, 0.0, 0.0, 0.0, 0.0, 0.754867374897003, 0.0, 12.4700002670288, 0.0, 0.424824833869934, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 38.5599632263184, 1.0, 0.0, 25.1144771575928, 0.0, 0.0, 21000001536.0, 0.0, 1315.9189453125, 0.0, 0.0, 30.6127548217773, 2.95595955848694, 1435.625, 0.0, 0.0, 30.3243846893311, 0.0, 0.0, 0.0, 0.0, 1.19055080413818, 1773.15185546875, 28.3983058929443, 5.45943164825439, 26.0, 1732.89318847656, 0.0, 1563.0400390625, 0.0, 1542.24584960938, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 14.9160032272339, 0.0, 0.0, 0.999000012874603, 10.2920246124268, 0.0, 0.0, 0.0, 0.810617208480835, 0.0, 8.34716320037842, 1.0, 0.0, 19.996166229248, 0.0, 6.58003330230713, 0.117851130664349, 11.8647785186768, 0.0, 0.0, 5.06657266616821, 10.0, 0.0, 0.309840530157089, 0.0, 0.0, 0.0, 0.0, -0.151681005954742, 1.0, 4.03001117706299, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H, 0.0, 0.942809045314789 0.942809045314789, 1.14011943340302, 0.0, 0.0, 0.0, 0.0, 1.5 1.5, 0.70412415266037, 0.0, 0.0, 0.0, 1.88561809062958 1.88561809062958, 0.0, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 50.0, 90.0, 0.38490018248558 0.38490018248558, 0.0, 0.0, 0.0, 0.0, 0.5 0.5, 0.0, 0.0, 0.0, 6.69421482086182, 0.0, 0.0, 0.513200223445892 0.513200223445892, 0.0, 2.93877553939819, 0.0, 0.0, 0.0, 0.0, 1.38271605968475, 0.16666667163372, 0.0, 0.0, 0.0, 0.235702261328697, 5.61880207061768, 0.0555555559694767, 3.40470051765442, 0.0641500279307365, , 1.0, 0.16666667163372, 0.0, 2.34715056419373, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.65868926048279, 2.0, 0.0277777779847383, 0.0, 1.13290584087372, 0.0, 0.0, 0.0, 0.756600141525269, 0.0, 0.0, 0.0, 0.0, 0.303561210632324, 0.0, 0.0, 0.0, 0.153877794742584, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 2.0, 0.0, 11.0, 0.0, 0.0, 109.0, 0.0, 575.871765136719, 0.0, 0.0, 14.0, 0.0, 650.17529296875, 0.0, 0.0, 12.0, 0.0, 0.0, 0.0, 0.0, 0.0, 835.183166503906, 6.0, 4.32192802429199, 12.0, 681.418579101562, 0.0, 271.0, 0.0, 303.666290283203, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 6.81155490875244, 0.0, 0.0, 0.400000005960464, 4.96632671356201, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 4.08907318115234, 0.0, 0.0, 11.6786317825317, 0.0, 3.46632647514343, 0.0833333358168602, 8.59655952453613, 0.0, 0.0, 2.85758924484253, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.31649661064148, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2, 0.0, 0.0 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 6.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.353553384542465, 0.0 0.0, 0.20412415266037, 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0 0.0, 0.0, 0.222222223877907, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.8224618434906, 0.0, 1.07735025882721, 0.0, , 0.0, 0.0, 0.0, 0.61237245798111, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.5299997329712, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.77446913719177, 0.0, 0.0, 3.66418385505676, 0.0, 0.0, 3.0, 0.0, 43.9687728881836, 0.0, 0.0, 0.0, 0.0, 43.8190040588379, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 43.0099983215332, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.12132024765015, 0.0, 0.0, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.181732878088951, 0.0, 0.0, 0.0, 0.0, -0.0908664390444756, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H8O%2Fc1-2-4-3-5-4%2Fh4H%2C2-3H2%2C1H3, 0.0, 0.20412415266037 0.20412415266037, 0.0, -0.00539234094321728, 2.0, 1.0, 0.0, 0.0 0.0, 0.0, -0.000477831112220883, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 22.0, 25.0, 0.117851130664349 0.117851130664349, 0.0, 0.0, 0.0, 0.288675129413605, 0.0 0.0, 0.16666667163372, 0.0, 0.0, 3.20000004768372, 0.20412415266037, 0.0, 0.0 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.117851130664349, 0.639999985694885, 0.0, 0.0, 0.0, 0.0, 0.0, 3.3998122215271, 0.0, 2.04798078536987, 0.0, , 0.0, 0.117851130664349, 0.0, 1.36359012126923, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.6910440325737, 0.0, 0.0, 0.0, 0.235702261328697, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.5299997329712, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.77446889877319, 0.0, 0.0, 5.66418409347534, 0.0, 0.0, 17.0, 0.0, 135.374816894531, 0.0, 0.0, 3.33209204673767, 1.15470051765442, 138.872116088867, 0.0, 0.0, 2.33209204673767, 0.0, 0.0, 0.0, 0.0, 0.5, 82.7509536743164, 0.0, 3.32192802429199, 2.0, 45.460277557373, 0.0, 149.009994506836, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.69867062568665, 0.0, 0.0, 0.333333343267441, 2.4318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 0.0, 1.85162401199341, 1.0, 0.0, 0.5, 0.0, 0.985598564147949, 0.0, 2.0, 0.0, 0.0, 0.40824830532074, 0.0, 0.0, 0.174689188599586, 0.0, 0.0, 0.0, 0.0, -0.0814744234085083, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H10N2O2%2Fc1-4%287%293-6%282%295-8%2Fh4%2C7H%2C3H2%2C1-2H3, , 0.6910440325737 0.6910440325737, 0.0, -0.0150112127885222, 1.0, 0.0, 0.0, 0.902368903160095 0.902368903160095, 0.0, 0.0180034972727299, , 0.0, 0.666666686534882 0.666666686534882, -0.0496573746204376, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 30.0, 54.0, 0.221034348011017 0.221034348011017, 0.0, 0.200000002980232, 0.0, 0.0, 0.269662320613861 0.269662320613861, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0996624082326889 0.0996624082326889, 0.0, 3.9375, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.03434610366821, 0.0, 2.38981294631958, 0.0, , 0.0, 0.323995530605316, 0.0, 1.77089428901672, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.667832374572754, 0.0, 0.0, , 0.41572168469429, 2.0, 0.0, 0.0, 0.048240453004837, 0.0, , , 0.0, 0.0, 0.0, 52.9000015258789, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 10.2689142227173, 0.0, 0.0, 8.57791614532471, 0.0, , 71.0, 0.25, 245.543685913086, 0.0, 0.0, 9.71620559692383, 1.0, 239.752548217773, 0.0, 0.0, 7.55002069473267, 0.0, 0.0, 0.0, , 1.15470051765442, 251.288970947266, 6.38383531570435, 4.0, 6.0, 170.74543762207, 0.0, 233.039993286133, 0.0, 119.114356994629, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 6.56891393661499, , , 0.400000005960464, 3.66390252113342, 0.0, 0.0, 0.0, 0.696923434734344, 1.0, 3.14296913146973, 1.0, 0.0, 0.0, 0.0, 1.57069683074951, 0.0, 1.0, 0.0, 0.0, 0.971404492855072, 0.0, 0.0, 0.148202463984489, 0.0, 0.0, 0.0, 1.0, -0.0514361634850502, 1.0, 0.333333343267441, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H10N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3H%2C1%2C4-5H2%2C2H3, , 0.702015101909637 0.702015101909637, 0.235702261328697, -0.0336085706949234, 2.0, 0.0, 0.0, 1.05889523029327 1.05889523029327, 0.0, 0.0163557380437851, , 0.0, 1.03240871429443 1.03240871429443, -0.057588666677475, , 0.0, 1.0, 0.0, 0.0, 0.0, 38.0, 81.0, 0.213109582662582 0.213109582662582, 0.0, 0.200000002980232, 0.0, 0.0, 0.258598446846008 0.258598446846008, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.165027290582657 0.165027290582657, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 5.53086423873901, 0.0, 0.0, 0.0, 0.0, 0.0, 5.90959453582764, 0.0, 2.88920378684998, 0.0, , 0.0, 0.244337573647499, 0.0, 1.91947746276855, 0.0, 0.0, , 0.0, , 0.0, 0.860496282577515, 0.0, 0.0, , 0.532797813415527, 1.0, 0.0, 0.0, 0.200768440961838, , , , 1.0, 0.0642774477601051, 0.0, 49.7400016784668, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 12.2689142227173, 0.0, , 10.5779161453247, 0.0, , 134.0, 0.16666667163372, 362.443756103516, 1.0, 0.0, 11.8823909759521, 2.2941734790802, 361.171722412109, 0.0, 0.0, 10.8823909759521, 0.0, 0.0, 0.0, , 0.894427180290222, 386.356079101562, 10.8821125030518, 4.32192802429199, 9.0, 325.592193603516, 0.0, 271.040008544922, 0.0, 270.526062011719, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 0.0, , , 3.0, 0.0, , , 0.0, 2.0, 0.0, 1.0, 0.0, 0.0, 7.98312759399414, , , 0.5, 4.70190715789795, 1.0, 0.0, 0.0, 0.61237245798111, 1.0, 3.69249796867371, 0.0, 0.0, 1.65096366405487, , 2.0790114402771, 0.0, 1.31037068367004, 0.0, 0.0, 1.56355690956116, 0.0, 0.0, 0.199586123228073, 0.0, 0.0, 0.0, 2.0, -0.055811945348978, 1.0, 0.891010880470276, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H15ClO3%2Fc1-4-15-11%2814%2912%282%2C3%2916-10-7-5-9%2813%296-8-10%2Fh5-8H%2C4H2%2C1-3H3, 0.0, 3.12545800209045 3.12545800209045, 1.13288927078247, -0.0859520733356476, 1.0, 2.0, 1.0, 3.51371598243713 3.51371598243713, 0.835861206054688, 0.189076900482178, 0.0, 0.0, 4.50476217269897 4.50476217269897, -0.134705349802971, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 76.0, 236.0, 1.03552746772766 1.03552746772766, 0.0, 0.0, 0.0, 0.0, 1.05181860923767 1.05181860923767, 0.0, 0.816496610641479, 0.0, 14.0625, 0.0, 0.0, 1.09878897666931 1.09878897666931, 0.0, 6.07438039779663, 0.0, 0.0, 0.0, 0.0, 4.42361116409302, 0.0833333358168602, 0.0, 0.0, 0.0, 0.142258897423744, 10.3751459121704, 0.0277777779847383, 5.45059251785278, 0.0428372696042061, , 0.793700516223907, 0.956938564777374, 0.0, 4.22319841384888, 0.0, 1.39247667789459, 0.0, 0.102062076330185, 0.0, 0.0, 2.20563387870789, 0.0, 0.0756873562932014, 0.0, 1.26981544494629, 3.0, 0.0170103460550308, 0.0, 0.832979381084442, 0.0, 0.0, 0.0, 0.0, 0.288463473320007, 0.0, 35.5299987792969, 0.0, 0.19760462641716, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.0361614227295, 1.0, 0.0, 19.6121978759766, 0.333333343267441, 0.0, 468.0, 0.814325273036957, 855.650634765625, 1.0, 0.0, 29.334680557251, 3.27931785583496, 941.813537597656, 1.0, 0.0, 28.7770557403564, 0.0, 0.0, 0.0, 0.0, 2.30619406700134, 1228.58508300781, 20.6121978759766, 5.0, 21.0, 1113.06481933594, 0.0, 721.039978027344, 1.88988161087036, 891.785461425781, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 12.1817979812622, 0.0, 0.0, 0.5, 7.45352554321289, 0.0, 0.0, 0.0, 1.74740028381348, 0.0, 7.00832557678223, 0.0, 0.20412415266037, 3.30917620658875, 0.0, 5.00595092773438, 0.492799282073975, 6.24414920806885, 0.0, 0.0, 3.30219078063965, 4.0, 0.0, 0.481968015432358, 0.144337564706802, 1.48550200462341, 0.0, 1.0, -0.246163323521614, 0.0, 2.51620221138, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2, 0.0, 0.0 0.0, 0.0, -0.00265132472850382, 0.0, 0.0, 1.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 6.0, 6.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.41835045814514, 0.0, 1.06290197372437, 0.0, , 0.0, 0.0, 0.0, 0.462910056114197, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.7127532958984, 0.0, 0.0, 3.95173740386963, 0.0, 0.0, 4.0, 0.0, 81.0053176879883, 0.0, 0.0, 2.95173740386963, 1.0, 56.6020469665527, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.3460159301758, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 19.0100002288818, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.5, 1.41421353816986, 1.0, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0278811901807785, 0.0, 0.0, 0.0, 0.0, -0.0112892696633935, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H13N3O2%2Fc16-9-7-8%2813-1-2-13%2912%2817%2911%2815-5-6-15%2910%289%2914-3-4-14%2Fh7H%2C1-6H2, 0.0, 2.898118019104 2.898118019104, 2.47045612335205, -0.178406208753586, 3.0, 0.0, 0.0, 5.16036033630371 5.16036033630371, 1.45665061473846, 0.191740557551384, 0.0, 0.0, 8.11326122283936 8.11326122283936, 0.00221714284271002, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 102.0, 217.0, 1.08203196525574 1.08203196525574, 0.0, 0.200000002980232, 0.0, 0.866025388240814, 1.5310800075531 1.5310800075531, 0.670820415019989, 0.0, 0.0, 10.8800001144409, 0.5, 0.0, 1.96647226810455 1.96647226810455, 0.766309440135956, 3.74609780311584, 0.0, 0.0, 0.0, 0.335410207509995, 1.86555624008179, 0.803452134132385, 0.0, 0.0, 0.0, 1.49169266223907, 9.47812843322754, 0.312860637903214, 6.05378532409668, 0.475481152534485, , 6.08364343643188, 0.621719896793365, 0.0, 4.88131093978882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.81718921661377, 0.0, 0.138439759612083, 0.0, 2.12561440467834, 0.0, 0.0, 0.0, 1.43304240703583, 0.0, 0.0, 0.0, 0.0, 0.812445163726807, 0.0, 43.1699981689453, 0.0, 0.452179193496704, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.6289024353027, 0.0, 0.0, 22.1598510742188, 0.0, 0.0, 461.0, 0.0, 1128.74523925781, 5.0, 0.0, 24.3254795074463, 0.0, 1425.11242675781, 0.0, 0.0, 33.3458671569824, 0.0, 0.0, 0.0, 0.0, 0.0, 1714.06115722656, 36.8404197692871, 5.08746290206909, 29.0, 2004.92431640625, 0.0, 817.049987792969, 0.0, 1800.02136230469, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0, 0.0, 11.568549156189, 0.0, 0.0, 0.428571432828903, 8.25401973724365, 1.0, 0.0, 0.0, 1.28645730018616, 0.0, 7.90294790267944, 0.0, 0.0, 5.13504266738892, 0.0, 5.72209024429321, 0.437474399805069, 11.8415718078613, 0.0, 0.0, 5.15855836868286, 0.0, 0.0, 0.514885008335114, 0.0, 0.0, 0.0, 2.0, -0.217502370476723, 3.0, 4.21790742874146, 0.0, 0.0, 0.0
-InChI%3D1S%2FC15H17N3%2Fc1-12-5-4-6-14%2811-12%2917-16-13-7-9-15%2810-8-13%2918%282%293%2Fh4-11H%2C1-3H3%2Fb17-16%2B, 0.0, 2.25076985359192 2.25076985359192, 2.17926859855652, -0.0466450899839401, 0.0, 0.0, 0.0, 2.73353981971741 2.73353981971741, 1.33718800544739, -0.011934326030314, 0.0, 0.0, 3.01615953445435 3.01615953445435, -0.0282156933099031, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 88.0, 326.0, 0.905928671360016 0.905928671360016, 0.0, 0.0, 0.0, 0.0, 0.858890056610107 0.858890056610107, 0.0, 0.0, 0.0, 14.4099721908569, 0.0, 0.0, 0.758893072605133 0.758893072605133, 0.0, 6.96320009231567, 0.0, 0.0, 0.0, 0.0, 4.56599283218384, 0.16666667163372, 0.0, 0.0, 0.0, 0.249296993017197, 10.9604425430298, 0.0555555559694767, 5.90798187255859, 0.0650455802679062, , 1.48674774169922, 0.613880276679993, 0.0, 4.44982862472534, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.64870357513428, 0.0, 0.0745356008410454, 0.0, 1.62308263778687, 3.0, 0.0, 0.0, 0.970275282859802, 0.0, 0.0, 0.0, 0.0, 0.481195777654648, 0.0, 27.9599990844727, 0.0, 0.215426847338676, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.079963684082, 1.0, 0.0, 20.1909141540527, 0.0, 0.0, 707.0, 0.481411129236221, 1048.99096679688, 0.0, 0.0, 26.3294811248779, 4.52331876754761, 1162.8515625, 0.0, 0.0, 24.6618518829346, 0.0, 0.0, 0.0, 0.0, 2.57754731178284, 1484.81274414062, 18.3294811248779, 5.16992521286011, 23.0, 1336.53442382812, 0.0, 990.030029296875, 0.0, 973.847045898438, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.365148365497589, 11.0, 0.0, 12.9578189849854, 0.0, 0.0, 0.454545468091965, 8.64786720275879, 0.0, 0.0, 0.0, 1.1969233751297, 2.0, 7.73997592926025, 0.0, 0.0, 7.7704873085022, 0.0, 5.86238193511963, 0.16666667163372, 11.0019655227661, 0.0, 0.0, 4.43689298629761, 8.0, 0.0, 0.1941127628088, 0.0, 0.0, 0.0, 0.0, -0.0597725920379162, 1.0, 3.34738922119141, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H12O4%2Fc1-3-10%2816-8%282%2913%299-4-5-11-12%286-9%2915-7-14-11%2Fh3-6%2C10H%2C1%2C7H2%2C2H3, 0.0, 2.10525751113892 2.10525751113892, 2.02836608886719, 0.144502073526382, 1.0, 3.0, 0.0, 3.32670974731445 3.32670974731445, 1.49982392787933, -0.00671995617449284, 0.0, 0.0, 4.07482290267944 4.07482290267944, -0.076129250228405, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 80.0, 212.0, 0.670291185379028 0.670291185379028, 0.0, 0.0, 0.0, 0.0, 0.866632461547852 0.866632461547852, 0.0, 0.622369885444641, 0.0, 12.4567470550537, 0.0, 0.0, 0.854473769664764 0.854473769664764, 0.0, 5.55765581130981, 0.117851130664349, 0.0, 0.0, 0.0, 3.02972650527954, 0.234708055853844, 0.0294627826660872, 0.0, 0.0, 0.301472395658493, 8.93395805358887, 0.0580769516527653, 4.89783954620361, 0.061677772551775, , 3.87917613983154, 0.365450888872147, 0.0, 3.37843418121338, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.23216533660889, 0.0, 0.0365693494677544, 0.0, 1.52114021778107, 1.0, 0.0, 0.0, 0.919705748558044, 0.0, 0.0, 0.0, 1.0, 0.465250223875046, 0.0, 44.7599983215332, 0.0, 0.270291984081268, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.0978755950928, 1.0, 0.0, 19.3246440887451, 0.766309440135956, 0.0, 442.0, 0.200000002980232, 836.151062011719, 1.0, 0.0, 27.2056732177734, 2.2753963470459, 956.492370605469, 0.0, 0.0, 23.6567363739014, 0.0, 0.0, 0.0, 0.0, 2.779865026474, 1289.24169921875, 21.3246440887451, 5.0, 21.0, 1187.12817382812, 0.0, 601.039978027344, 0.0, 969.142272949219, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 6.0, 0.0, 11.5436058044434, 0.0, 0.0, 0.5, 7.70270872116089, 1.0, 0.0, 0.0, 1.07491493225098, 0.0, 6.82207202911377, 1.0, 0.0, 3.41278743743896, 0.0, 5.29544162750244, 0.16666667163372, 10.4304904937744, 0.0, 0.0, 4.46494770050049, 3.0, 0.0, 0.61239618062973, 0.0, 0.0, 0.0, 1.0, -0.416390538215637, 0.0, 3.28970050811768, 0.0, 0.0, 0.0
-InChI%3D1S%2FCH2O%2Fc1-2%2Fh1H2, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 2.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.11535501480103, 0.0, 0.288675129413605, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.77446913719177, 0.0, 0.0, 1.33209192752838, 0.0, 0.0, 1.0, 0.0, 11.6959047317505, 0.0, 0.0, 0.0, 0.0, 5.77306795120239, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 7.01000022888184, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.156959161162376, 0.0, 0.0, 0.0, 1.0, -0.0784795805811882, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H3Br%2Fc1-2-3%2Fh2H%2C1H2, 0.0, 0.0 0.0, 0.0, -0.00154212629422545, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 6.0, 6.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.24841809272766, 0.0, 1.5421416759491, 0.0, , 0.0, 0.0, 0.0, 0.801783740520477, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 46.2580909729004, 0.0, 0.0, 7.65267562866211, 0.0, 0.0, 4.0, 0.0, 114.287864685059, 0.0, 0.0, 6.65267562866211, 1.0, 79.9560928344727, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.428466796875, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 19.0100002288818, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 1.0, 0.0, 0.5, 1.41421353816986, 1.0, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0164902284741402, 0.0, 0.0, 0.0, 0.0, -0.00670298840850592, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2HCl2F3%2Fc3-1%284%292%285%2C6%297%2Fh1H, 0.0, 2.5980761051178 2.5980761051178, 0.0, -0.168829381465912, 0.0, 0.0, 2.0, 0.577350258827209 0.577350258827209, 0.0, 0.126409858465195, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 30.0, 29.0, 0.70141464471817 0.70141464471817, 0.0, 0.0, 0.0, 0.0, 0.0353479757905006 0.0353479757905006, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.85185182094574, 0.0, 0.0, 0.0, 0.0, 2.66666674613953, 0.0, 0.0, 0.0, 0.0, 0.0, 4.47903060913086, 0.0, 2.16492915153503, 0.0, , 0.0, 0.521869122982025, 0.0, 1.93857371807098, 0.0, 1.0, 0.0, 0.0155869917944074, 0.0, 0.0, 0.742307484149933, 0.0, 0.159065887331963, 0.0, 0.0, 0.0, 0.0200404189527035, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.9316387176514, 0.0, 0.0, 11.6488304138184, 0.0, 0.0, 42.0, 0.0, 186.186630249023, 0.0, 0.0, 26.8677158355713, 0.0, 184.513885498047, 1.0, 0.0, 28.0140857696533, 0.0, 0.0, 0.0, 0.0, 0.0, 207.008987426758, 0.0, 3.80735492706299, 6.0, 114.595428466797, 0.0, 7.05000019073486, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.07735013961792, 0.0, 0.0, 0.333333343267441, 2.94337558746338, 0.0, 0.0, 0.0, 1.65470051765442, 0.0, 3.52072596549988, 1.0, 0.288675129413605, 0.0, 0.0, 1.73205077648163, 0.866025388240814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.40569195151329, 0.288675129413605, 0.0, 0.0, 0.0, -0.160426452755928, 0.0, 0.0, 0.0, 3.0, 0.0
-InChI%3D1S%2FC7H6N4O3S%2Fc8-10-7-9-4%283-15-7%295-1-2-6%2814-5%2911%2812%2913%2Fh1-3H%2C8H2%2C%28H%2C9%2C10%29, 0.0, 2.38468384742737 2.38468384742737, 2.04432225227356, -0.0423004776239395, 0.0, 0.0, 0.0, 3.01090502738953 3.01090502738953, 1.077632188797, 0.155019819736481, 0.0, 0.0, 3.33648824691772 3.33648824691772, -0.122808493673801, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 1.0, 76.0, 215.0, 0.661933183670044 0.661933183670044, 0.0, 0.5, 0.0, 0.0, 0.826438367366791 0.826438367366791, 0.0, 0.666666686534882, 0.0, 11.484375, 0.0, 0.0, 0.70060408115387 0.70060408115387, 0.0, 4.88842964172363, 0.235702261328697, 0.0, 0.0, 0.0, 2.57142853736877, 0.287457466125488, 0.113077633082867, 0.0, 0.0, 0.499262422323227, 8.15331840515137, 0.111281804740429, 4.75172996520996, 0.119003258645535, , 2.52506470680237, 0.35037836432457, 1.0, 3.43533277511597, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.42537569999695, 0.0, 0.0239986199885607, 0.0, 1.62788236141205, 0.0, 0.0, 0.0, 0.845230400562286, 0.0, 0.0, 0.0, 0.0, 0.508405804634094, 0.0, 138.139999389648, 0.0, 0.251451313495636, 0.0, 1.15470051765442, 0.0, 0.0, 0.0, 0.125, 24.89111328125, 0.0, 0.0, 22.1354160308838, 0.0, 0.0, 384.0, 0.0, 858.672119140625, 0.0, 0.0, 31.9098377227783, 0.0, 991.879455566406, 0.0, 0.0, 26.0728435516357, 0.0, 0.0, 0.0, 0.0, 0.0, 1340.83959960938, 22.8837566375732, 4.90689039230347, 18.0, 993.441223144531, 0.0, 274.079986572266, 0.0, 866.182556152344, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.338061690330505, 4.0, 0.0, 10.8364992141724, 0.0, 0.0, 0.444444447755814, 7.20270872116089, 0.0, 1.0, 0.0, 1.03745746612549, 0.0, 6.42463445663452, 0.0, 0.0, 1.31037068367004, 0.0, 5.28236150741577, 0.25, 5.69378614425659, 1.0, 0.0, 3.99895071983337, 3.0, 0.0, 0.369802713394165, 0.0, 0.0, 1.0, 2.0, -0.196324601769447, 0.0, 2.63897085189819, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H11N3O3%2Fc1-2-8%287-11%295%2810%296-3-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29, 0.0, 1.11785113811493 1.11785113811493, 0.333333343267441, 0.0798303931951523, 3.0, 0.0, 0.0, 1.50592231750488 1.50592231750488, 0.16666667163372, -0.0298642683774233, 0.0, 0.0, 1.0648478269577 1.0648478269577, -0.0459855310618877, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 42.0, 107.0, 0.246069297194481 0.246069297194481, 0.0, 0.577757060527802, 0.0, 0.0, 0.238944873213768 0.238944873213768, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.141161993145943 0.141161993145943, 0.0, 6.69421482086182, 0.0, 0.0, 0.0, 0.0, 4.44444465637207, 0.0, 0.0, 2.0, 0.0, 0.0, 6.2656364440918, 0.0, 3.20918464660645, 0.0, , 0.0, 0.115432038903236, 0.0, 1.70274019241333, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.982183933258057, 0.0, 0.0141421351581812, 0.0, 0.467294007539749, 1.0, 0.0, 0.0, 0.165347322821617, 0.0, 0.0, , 0.0, 0.070295438170433, 0.0, 85.4899978637695, 0.0, 0.0198938716202974, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.4033708572388, 0.0, 0.0, 12.2423791885376, 0.0, 0.0, 176.0, 0.0, 375.6611328125, 1.0, 0.0, 14.017219543457, 0.965489387512207, 381.028472900391, 0.0, 0.0, 15.2938442230225, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 415.246032714844, 13.1548585891724, 4.45943164825439, 12.0, 396.278686523438, 0.0, 331.059997558594, 0.0, 290.23193359375, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.41421353816986, 0.0, 0.0, 8.69023418426514, 0.0, 0.0, 0.428571432828903, 5.25674867630005, 0.0, 0.0, 0.0, 0.402368932962418, 2.0, 3.69608855247498, 0.0, 0.0, 1.10520946979523, 0.0, 2.86651206016541, 0.117851130664349, 1.31037068367004, 0.0, 0.0, 1.85521471500397, 0.0, 0.0, 0.307690382003784, 0.0, 0.0, 0.0, 1.0, -0.191014602780342, 1.0, 0.724344193935394, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H4Cl6O4%2Fc10-3-4%2811%298%2813%292%286%2818%2919%291%285%2816%2917%297%283%2C12%299%288%2C14%2915%2Fh1-2H%2C%28H%2C16%2C17%29%28H%2C18%2C19%29, 0.0, 9.0721492767334 9.0721492767334, 3.09830212593079, 0.114036560058594, 0.0, 0.0, 6.0, 16.669075012207 16.669075012207, 1.31312894821167, -0.171507894992828, 0.0, 0.0, 29.0289497375488 29.0289497375488, -0.719654262065887, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 112.0, 188.0, 8.7282886505127 8.7282886505127, 0.0, 1.62865054607391, 0.0, 0.0, 14.6585521697998 14.6585521697998, 0.0, 0.0, 0.0, 15.3900003433228, 0.0, 0.0, 22.8885707855225 22.8885707855225, 0.0, 4.01388883590698, 0.0833333358168602, 0.0, 0.0, 0.0, 1.36979782581329, 0.588782012462616, 0.0729166641831398, 2.0, 0.0, 2.0444324016571, 13.168984413147, 0.54183828830719, 6.99517583847046, 1.89923989772797, , 7.18623638153076, 2.56434440612793, 0.0, 7.53335857391357, 0.0, 9.59415340423584, 0.0, 0.324377715587616, 0.0, 0.0, 7.72673320770264, 0.0, 2.61752843856812, 0.0, 5.53736019134521, 0.0, 1.0214809179306, 0.0, 3.75348925590515, 0.0, 0.0, 0.0, 0.0, 2.00239324569702, 0.0, 74.5999984741211, 0.0, 0.71689248085022, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 68.374397277832, 4.0, 0.0, 33.0387916564941, 0.0, 0.0, 540.0, 0.0, 2100.45629882812, 4.0, 0.0, 73.9143829345703, 0.0, 2755.24291992188, 3.0, 0.0, 145.584228515625, 0.0, 0.0, 0.0, 0.0, 0.0, 4812.90283203125, 129.548065185547, 5.24792766571045, 46.0, 4915.38671875, 0.0, 234.100006103516, 0.0, 2932.30615234375, 0.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 1.0, 0.0, 14.9641017913818, 0.0, 0.0, 0.333333343267441, 8.45213508605957, 0.0, 0.0, 0.0, 3.01980042457581, 0.0, 9.30733489990234, 2.0, 0.291666656732559, 0.0, 0.0, 8.54344654083252, 2.50982856750488, 0.0, 0.0, 0.0, 7.15808343887329, 0.0, 0.0, 0.657990097999573, 0.857122421264648, 0.0, 0.0, 2.0, -0.121664300560951, 0.0, 5.76642847061157, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29, 0.0, 1.20710682868958 1.20710682868958, 0.394337564706802, -0.0597582273185253, 3.0, 0.0, 0.0, 0.617851138114929 0.617851138114929, 0.16666667163372, 0.0223692487925291, 0.0, 0.0, 0.603553414344788 0.603553414344788, -0.0409503616392612, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 38.0, 98.0, 0.251847326755524 0.251847326755524, 0.0, 0.5, 0.0, 0.0, 0.199702873826027 0.199702873826027, 0.0, 0.0, 1.0, 10.0, 0.0, 0.0, 0.206968367099762 0.206968367099762, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 5.53086423873901, 0.0, 0.0, 1.0, 0.0, 0.0, 6.85622787475586, 0.0, 4.39714527130127, 0.0, , 1.0, 0.170555755496025, 1.0, 3.32417607307434, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.02714014053345, 0.0, 0.0215165745466948, 0.0, 1.18738877773285, 1.0, 0.0, 0.0, 0.670563280582428, 0.0, 0.0, 0.0, 0.0, 0.376270294189453, 0.0, 88.620002746582, 0.0, 0.106932736933231, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.036678314209, 0.0, 0.0, 13.169939994812, 0.0, 0.0, 143.0, 0.0, 506.337524414062, 1.0, 0.0, 15.1105937957764, 1.31037068367004, 495.255218505859, 0.0, 0.0, 12.6070861816406, 0.0, 0.0, 0.0, 0.0, 0.365148365497589, 499.298583984375, 10.4474334716797, 4.32192802429199, 9.0, 425.739562988281, 0.0, 394.040008544922, 0.0, 297.954071044922, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 7.98312759399414, 0.0, 0.0, 0.428571432828903, 4.680739402771, 0.0, 0.0, 0.0, 0.569035589694977, 0.0, 3.71708273887634, 1.0, 0.0, 1.65096366405487, 0.0, 2.40109062194824, 0.235702261328697, 2.40685200691223, 0.0, 0.0, 1.0496461391449, 0.0, 0.0, 0.267620921134949, 0.0, 0.0, 0.0, 1.0, -0.100243918597698, 0.0, 0.607710719108582, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H5NS%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, 0.0, 0.0 0.0, 0.0, -0.00635908078402281, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 9.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 3.34164071083069, 0.0, 1.42082035541534, 0.0, , 0.0, 0.335410207509995, 0.0, 1.25623059272766, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 62.6500015258789, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.4877414703369, 0.0, 0.0, 4.83597040176392, 0.0, 0.0, 9.0, 0.0, 162.695770263672, 1.0, 0.0, 6.94943475723267, 0.0, 134.804580688477, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 103.386726379395, 0.0, 3.0, 0.0, 0.0, 1.0, 52.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.5, 1.73205077648163, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.73205077648163, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0396737493574619, 0.0, 0.0, 0.0, 0.0, -0.0134777948260307, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC19H20N2O2%2Fc1-2-3-14-17-18%2822%2920%2815-10-6-4-7-11-15%2921%2819%2817%2923%2916-12-8-5-9-13-16%2Fh4-13%2C17H%2C2-3%2C14H2%2C1H3, 0.0, 3.24205446243286 3.24205446243286, 3.83419013023376, -0.0523943454027176, 3.0, 0.0, 0.0, 6.18063640594482 6.18063640594482, 2.73833060264587, -0.028117498382926, 0.0, 0.0, 9.50682735443115 9.50682735443115, 0.048309899866581, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 118.0, 380.0, 1.10123932361603 1.10123932361603, 0.0, 0.25, 0.0, 0.0, 1.6854362487793 1.6854362487793, 0.0, 0.0, 0.0, 17.8111991882324, 0.0, 0.0, 2.15956854820251 2.15956854820251, 1.0, 8.39273357391357, 0.0641500279307365, 0.0, 0.0, 0.0, 3.81944441795349, 0.451859205961227, 0.0288675129413605, 0.0, 0.0, 0.63146436214447, 13.1830968856812, 0.137000188231468, 8.01674842834473, 0.149133294820786, , 4.68954133987427, 0.456542521715164, 0.0, 5.66599464416504, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.06157636642456, 0.0, 0.10667135566473, 0.0, 2.87698173522949, 1.0, 0.0, 0.0, 2.0102436542511, 0.0, 0.0, 0.0, 0.0, 1.13316130638123, 0.0, 40.6199989318848, 0.0, 0.694051146507263, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.268913269043, 1.0, 0.0, 26.6889133453369, 0.0, 0.0, 1109.0, 0.0, 1599.06652832031, 2.0, 0.0, 37.4329681396484, 2.13182950019836, 1895.3642578125, 0.0, 0.0, 41.7613372802734, 0.0, 0.0, 0.0, 0.0, 0.913967549800873, 2687.67358398438, 42.7606887817383, 5.52356195449829, 37.0, 2815.28833007812, 0.0, 1519.0400390625, 0.0, 2709.72338867188, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.0, 0.0, 16.2338409423828, 0.0, 0.0, 0.400000005960464, 11.236382484436, 0.0, 0.0, 0.0, 1.07653844356537, 0.0, 9.47519779205322, 1.0, 0.0, 17.9505424499512, 0.0, 8.28871440887451, 0.433583050966263, 18.2539119720459, 0.0, 0.0, 7.2416205406189, 10.0, 0.0, 0.353176176548004, 0.0, 0.0, 0.0, 2.0, -0.12696361541748, 2.0, 5.93089008331299, 0.0, 0.0, 0.0
-InChI%3D1S%2FC33H40N2O9%2Fc1-38-19-7-8-20-21-9-10-35-16-18-13-27%2844-32%2836%2917-11-25%2839-2%2930%2841-4%2926%2812-17%2940-3%2931%2842-5%2928%2833%2837%2943-6%2922%2818%2915-24%2835%2929%2821%2934-23%2820%2914-19%2Fh7-8%2C11-12%2C14%2C18%2C22%2C24%2C27-28%2C31%2C34H%2C9-10%2C13%2C15-16H2%2C1-6H3%2Ft18-%2C22%3F%2C24-%2C27%3F%2C28%2B%2C31%2B%2Fm1%2Fs1, 0.0, 8.21538829803467 8.21538829803467, 10.1862277984619, -0.0270535182207823, 5.0, 7.0, 0.0, 14.295521736145 14.295521736145, 8.09396457672119, 0.258515596389771, 0.0, 0.0, 21.8372764587402 21.8372764587402, -0.400348305702209, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 242.0, 1423.0, 3.81254911422729 3.81254911422729, 0.0, 0.142857149243355, 0.0, 0.0, 6.02780055999756 6.02780055999756, 0.0, 2.34948968887329, 0.0, 33.8842163085938, 0.0, 0.0, 8.34400749206543 8.34400749206543, 0.0, 14.6319446563721, 0.0785674229264259, 0.0, 0.0, 0.0, 6.43681001663208, 0.492096543312073, 0.0279508493840694, 0.0, 0.0, 1.11555051803589, 25.9550495147705, 0.233735054731369, 14.8399686813354, 0.488013982772827, , 28.4149227142334, 1.49384617805481, 0.0, 11.6217861175537, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.67653846740723, 2.0, 0.339695811271667, 0.0, 7.66955947875977, 6.0, 0.0, 0.0, 6.09141540527344, 0.0, 0.0, 0.0, 0.0, 4.22990322113037, 0.0, 114.879997253418, 0.0, 3.05062794685364, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 51.6901969909668, 6.0, 0.0, 55.1443977355957, 2.85762429237366, 0.0, 6905.0, 1.42058408260345, 3232.54345703125, 2.0, 0.0, 80.19189453125, 6.86201000213623, 3974.11352539062, 0.0, 0.0, 97.4848098754883, 0.0, 0.0, 0.0, 0.0, 13.6887922286987, 6016.50537109375, 100.837020874023, 6.45943164825439, 86.0, 6799.107421875, 0.0, 5852.10986328125, 0.0, 6477.1591796875, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.333333343267441, 17.0, 0.0, 31.1202278137207, 0.0, 0.0, 0.5, 21.3451309204102, 0.0, 0.0, 0.0, 2.90588569641113, 0.0, 18.8552913665771, 6.0, 0.0, 8.723801612854, 0.0, 17.5771636962891, 0.862055361270905, 35.1200637817383, 1.0, 0.0, 15.3319873809814, 5.0, 0.0, 1.58534979820251, 0.0, 0.0, 0.0, 2.0, -0.862387001514435, 1.0, 13.3397436141968, 0.0, 0.0, 0.0
-InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H, 0.0, 0.0 0.0, 0.0, 0.031750425696373, 0.0, 0.0, 2.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 9.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 4.80909824371338, 0.0, 2.4432008266449, 0.0, , 0.0, 1.4578629732132, 0.0, 3.31373596191406, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 62.6835975646973, 0.0, 0.0, 12.5561504364014, 0.0, 0.0, 9.0, 0.0, 228.361831665039, 0.0, 0.0, 47.9866561889648, 0.0, 194.132553100586, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 135.155410766602, 0.0, 3.0, 0.0, 0.0, 0.0, 4.03000020980835, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 1.0, 0.0, 0.5, 1.73205077648163, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.73205077648163, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.129209727048874, 0.0, 0.0, 0.0, 0.0, -0.0963552892208099, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3%2C6%2C9H%2C1%2C4-5H2%2C2H3, , 0.702015101909637 0.702015101909637, 0.235702261328697, -0.013336262665689, 2.0, 0.0, 0.0, 1.05889523029327 1.05889523029327, 0.0, 0.0171087086200714, , 0.0, 1.03240871429443 1.03240871429443, -0.0517173931002617, , 0.0, 1.0, 0.0, 0.0, 0.0, 38.0, 81.0, 0.237944543361664 0.237944543361664, 0.0, 0.200000002980232, 0.0, 0.0, 0.299103409051895 0.299103409051895, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.196648836135864 0.196648836135864, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 5.53086423873901, 0.0, 0.0, 1.0, 0.0, 0.0, 6.02590990066528, 0.0, 3.07532382011414, 0.0, , 0.0, 0.28257417678833, 0.0, 2.09094405174255, 0.0, 0.0, , 0.0, , 0.0, 0.930291533470154, 0.0, 0.0, , 0.595223367214203, 1.0, 0.0, 0.0, 0.232384234666824, , , , 1.0, 0.0762748569250107, 0.0, 52.9000015258789, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 12.2689142227173, 0.0, , 10.5779161453247, 0.0, , 134.0, 0.16666667163372, 375.952972412109, 0.0, 0.0, 11.8823909759521, 2.2941734790802, 375.259613037109, 0.0, 0.0, 10.8823909759521, 0.0, 0.0, 0.0, , 0.894427180290222, 399.824768066406, 10.8821125030518, 4.32192802429199, 9.0, 337.65576171875, 0.0, 351.040008544922, 0.0, 283.071472167969, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 0.0, , , 3.0, 0.0, , , 0.0, 1.0, 0.0, 1.0, 1.0, 0.0, 7.98312759399414, , , 0.5, 4.70190715789795, 1.0, 0.0, 0.0, 0.61237245798111, 1.0, 3.69249796867371, 1.0, 0.0, 1.65096366405487, , 2.0790114402771, 0.0, 1.31037068367004, 0.0, 0.0, 1.56355690956116, 0.0, 0.0, 0.149139165878296, 0.0, 0.0, 0.0, 1.0, -0.0523344874382019, 1.0, 0.891010880470276, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29, , 1.08925569057465 1.08925569057465, 0.0, 0.0570121109485626, 2.0, 0.0, 0.0, 1.20710682868958 1.20710682868958, 0.0, -0.0194794684648514, , 0.0, 0.804737865924835 0.804737865924835, -0.117917880415916, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 63.0, 0.203561648726463 0.203561648726463, 0.0, 0.646330416202545, 0.0, 0.0, 0.151606187224388 0.151606187224388, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0591247007250786 0.0591247007250786, 0.0, 4.83950614929199, 0.0, 0.0, 0.0, 0.0, 3.55555558204651, 0.0, 0.0, 2.0, 0.0, 0.0, 4.61131620407104, 0.0, 2.21224331855774, 0.0, , 0.0, 0.120710678398609, 0.0, 1.25200533866882, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.654852211475372, 0.0, 0.0158113874495029, , 0.280117720365524, 0.0, 0.0, 0.0, 0.065618097782135, 0.0, , , 0.0, 0.0, 0.0, 96.9800033569336, 0.0, 0.0, , 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 12.4033708572388, 0.0, 0.0, 10.0761938095093, 0.0, , 96.0, 0.0, 261.248962402344, 1.0, 0.0, 11.8510341644287, 0.0, 263.628570556641, 0.0, 0.0, 11.7955665588379, 0.0, 0.0, 0.0, , 0.0, 284.332672119141, 10.0438623428345, 4.16992521286011, 9.0, 241.509704589844, 0.0, 153.059997558594, 0.0, 144.633926391602, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 7.27602100372314, , , 0.400000005960464, 4.21874380111694, 0.0, 0.0, 0.0, 0.5, 1.0, 3.20102000236511, 0.0, 0.0, 1.0, 0.0, 2.12665247917175, 0.16666667163372, 0.816496610641479, 0.0, 0.0, 1.37965285778046, 0.0, 0.0, 0.255220711231232, 0.0, 0.0, 0.0, 1.0, -0.131692856550217, 1.0, 0.537457466125488, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H10N6O%2Fc1-12%282%2911-10-6-4%285%287%2913%298-3-9-6%2Fh3H%2C1-2H3%2C%28H2%2C7%2C13%29%28H%2C8%2C9%29%2Fb11-10-, 0.0, 1.72744655609131 1.72744655609131, 1.07013893127441, -0.0160318668931723, 0.0, 0.0, 0.0, 2.33629703521729 2.33629703521729, 0.634585499763489, -0.118189662694931, 0.0, 0.0, 2.44317555427551 2.44317555427551, 0.0720535889267921, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 60.0, 143.0, 0.381218194961548 0.381218194961548, 0.0, 0.0, 0.0, 0.0, 0.35818737745285 0.35818737745285, 0.0, 0.0, 0.0, 11.0769233703613, 0.0, 0.0, 0.252752721309662 0.252752721309662, 0.0, 5.02422142028809, 0.117851130664349, 0.0, 0.0, 0.0, 3.32409977912903, 0.151374712586403, 0.0288675129413605, 0.0, 0.0, 0.243120849132538, 7.29901695251465, 0.0273437015712261, 3.47444462776184, 0.0264543648809195, , 2.38110160827637, 0.364827275276184, 1.0, 2.44678974151611, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.13037884235382, 0.0, 0.024356497451663, 0.0, 0.638964712619781, 2.0, 0.0, 0.0, 0.281494855880737, 0.0, 0.0, 0.0, 0.0, 0.133865252137184, 0.0, 96.8300018310547, 0.0, 0.058326356112957, 0.0, 1.01626551151276, 0.0, 0.0, 0.0, 0.16666667163372, 15.9343976974487, 0.0, 0.0, 15.3815498352051, 0.0, 0.0, 262.0, 0.5, 511.689910888672, 1.0, 0.0, 20.2950038909912, 0.333333343267441, 557.115173339844, 0.0, 0.0, 17.2950038909912, 0.0, 0.0, 0.0, 0.0, 1.21644043922424, 703.668090820312, 16.5437164306641, 4.70043992996216, 14.0, 552.426818847656, 0.0, 328.070007324219, 0.0, 474.623565673828, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 2.62074136734009, 0.0, 2.0, 1.59054148197174, 1.0, 0.0, 9.84493541717529, 0.0, 0.0, 0.428571432828903, 6.10906076431274, 0.0, 0.0, 0.0, 1.04433107376099, 2.0, 5.57005214691162, 0.0, 0.0, 0.0, 0.0, 3.68898367881775, 0.20412415266037, 1.31037068367004, 2.0, 0.0, 2.84900808334351, 1.0, 0.0, 0.41605669260025, 0.0, 0.0, 0.0, 1.0, -0.17573007941246, 1.0, 1.74382984638214, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H6O3S%2Fc4-7%285%293-1-2-6-7%2Fh1-3H2, 0.0, 1.20710682868958 1.20710682868958, 0.0, 0.111723847687244, 3.0, 1.0, 0.0, 1.45710682868958 1.45710682868958, 0.0, -0.0864193812012672, 0.0, 0.0, 0.5 0.5, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 34.0, 34.0, 0.403014659881592 0.403014659881592, 0.0, 0.5, 1.0, 0.0, 0.446163654327393 0.446163654327393, 0.0, 1.0, 0.0, 5.14285707473755, 0.0, 0.0, 0.0834376960992813 0.0834376960992813, 0.0, 1.5, 0.125, 0.0, 0.0, 0.0, 1.1851851940155, 0.25, 0.125156536698341, 0.0, 0.0, 0.125, 4.21317529678345, 0.102189891040325, 2.96380305290222, 0.0208594240248203, , 0.0, 0.365569025278091, 0.0, 2.42603993415833, 0.0, 0.0, 0.0, 0.0417188480496407, 0.0, 0.0, 1.5402774810791, 0.0, 0.0, 0.0, 1.02061414718628, 0.0, 0.0, 0.0, 0.20437978208065, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.4511604309082, 0.0, 0.0, 16.6710758209229, 0.0, 0.0, 39.0, 0.0, 355.687530517578, 0.0, 0.0, 16.9913463592529, 0.0, 378.366729736328, 0.0, 0.0, 5.32836771011353, 0.0, 0.0, 0.0, 0.0, 0.0, 506.468109130859, 0.0, 3.80735492706299, 4.0, 164.179504394531, 0.0, 127.040000915527, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 5.3284273147583, 0.0, 0.0, 0.333333343267441, 3.20710682868958, 0.0, 0.0, 0.0, 1.20710682868958, 0.0, 3.37132024765015, 0.0, 0.25, 2.38110160827637, 0.0, 1.95710682868958, 0.0, 0.0, 0.0, 0.0, 1.33210682868958, 0.0, 0.0, 0.27516970038414, 0.0, 0.0, 0.0, 2.0, -0.162889316678047, 0.0, 0.5, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H12N2%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C13-14H2, 0.0, 1.75930559635162 1.75930559635162, 1.83991479873657, -0.008943697437644, 0.0, 0.0, 0.0, 2.1989119052887 2.1989119052887, 1.04034233093262, -0.000669002300128341, 0.0, 0.0, 2.88035488128662 2.88035488128662, 0.000228936507483013, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 70.0, 200.0, 0.607122421264648 0.607122421264648, 0.0, 0.0, 0.0, 0.0, 0.66037505865097 0.66037505865097, 0.0, 0.0, 0.0, 10.5155553817749, 0.0, 0.0, 0.709639012813568 0.709639012813568, 0.0, 4.67999982833862, 0.0, 0.0, 0.0, 0.0, 2.75, 0.16666667163372, 0.0, 0.0, 0.0, 0.262891709804535, 7.77350282669067, 0.0555555559694767, 4.47008466720581, 0.0598527938127518, , 1.89484846591949, 0.359116762876511, 2.0, 3.24401688575745, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.15470051765442, 0.0, 0.0277777779847383, 0.0, 1.35113930702209, 0.0, 0.0, 0.0, 0.940455734729767, 0.0, 0.0, 0.0, 0.0, 0.453038930892944, 0.0, 52.0400009155273, 0.111111111938953, 0.220227867364883, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.7199764251709, 2.0, 0.0, 15.3323707580566, 0.0, 0.0, 315.0, 0.0, 862.495239257812, 0.0, 0.0, 20.6647415161133, 0.0, 973.666687011719, 0.0, 0.0, 18.6647415161133, 0.0, 0.0, 0.0, 0.0, 0.0, 1273.98278808594, 12.3323707580566, 4.80735492706299, 18.0, 1134.39038085938, 0.0, 547.02001953125, 0.0, 750.532104492188, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 9.96625518798828, 0.0, 0.0, 0.444444447755814, 6.75402021408081, 0.0, 0.0, 0.0, 0.910683631896973, 0.0, 6.03990364074707, 0.0, 0.0, 9.90748405456543, 0.0, 4.7876935005188, 0.0833333358168602, 14.0599384307861, 0.0, 0.0, 3.51453518867493, 8.0, 0.0, 0.0539545640349388, 0.0, 0.0, 0.0, 0.0, -0.017318457365036, 0.0, 3.00613451004028, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2%2Fb2-1%2B, 0.0, 0.0 0.0, 0.0, -3.27980269503314e-05, 2.0, 0.0, 2.0, 0.0 0.0, 0.0, 0.0264205373823643, 0.0, 0.0, 0.0 0.0, -0.0490519925951958, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 18.0, 38.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 5.0, 0.0, 0.0, 0.0, 0.0, 5.33333349227905, 0.0, 0.0, 0.0, 0.0, 0.0, 4.83670091629028, 0.0, 2.7533974647522, 0.0, , 0.0, 0.0, 0.0, 1.39722466468811, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.701189160346985, 0.0, 0.0, 0.0, 0.377964466810226, 0.0, 0.0, 0.0, 0.214285716414452, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.4255065917969, 0.0, 0.0, 8.90347480773926, 0.0, 0.0, 35.0, 0.0, 264.469085693359, 0.0, 0.0, 7.90347480773926, 0.0, 232.870346069336, 0.0, 0.0, 6.90347480773926, 0.0, 0.0, 0.0, 0.0, 0.0, 181.012573242188, 5.90347480773926, 3.58496260643005, 3.0, 128.393676757812, 0.0, 91.0199966430664, 0.0, 76.0479736328125, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 4.8284273147583, 0.0, 0.0, 0.400000005960464, 2.91421365737915, 2.0, 0.0, 0.0, 0.0, 0.0, 1.70710682868958, 0.0, 0.0, 3.96540641784668, 0.0, 0.95710676908493, 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0981695801019669, 0.0, 0.0, 0.0, 0.0, -0.0503204874694347, 0.0, 0.25, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3%2Fb6-5-, 0.0, 1.08925569057465 1.08925569057465, 0.0, -0.00744068343192339, 2.0, 0.0, 0.0, 1.20710682868958 1.20710682868958, 0.0, -0.0075646466575563, 0.0, 0.0, 0.804737865924835 0.804737865924835, -0.00805394724011421, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 63.0, 0.27824130654335 0.27824130654335, 0.0, 0.5, 0.0, 0.0, 0.297906488180161 0.297906488180161, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.158441662788391 0.158441662788391, 0.0, 4.83950614929199, 0.0, 0.0, 0.0, 0.0, 3.55555558204651, 0.0, 0.0, 0.0, 0.0, 0.0, 5.75527381896973, 0.0, 3.05344557762146, 0.0, , 0.0, 0.12855489552021, 0.0, 1.71437311172485, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0364955663681, 0.0, 0.0152145158499479, 0.0, 0.583597242832184, 2.0, 0.0, 0.0, 0.218873172998428, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 45.8199996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.9089260101318, 0.0, 0.0, 9.27311706542969, 0.0, 0.0, 96.0, 0.200000002980232, 325.473388671875, 1.0, 0.0, 10.7710237503052, 2.80396580696106, 321.606689453125, 0.0, 0.0, 10.660737991333, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 337.726470947266, 8.494553565979, 4.16992521286011, 9.0, 301.876861572266, 0.0, 289.029998779297, 0.0, 191.92448425293, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 2.0, 0.0, 7.27602100372314, 0.0, 0.0, 0.400000005960464, 4.21874380111694, 1.0, 0.0, 0.0, 0.5, 0.0, 3.20102000236511, 0.0, 0.0, 1.65096366405487, 0.0, 2.12665247917175, 0.16666667163372, 2.38110160827637, 0.0, 0.0, 1.37965285778046, 0.0, 0.0, 0.0521444082260132, 0.0, 0.0, 0.0, 2.0, -0.00174343504477292, 0.0, 0.537457466125488, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H10N2O%2Fc1-3-5-6%287%294-2%2Fh3-4H2%2C1-2H3, 0.0, , , -0.0475463382899761, 2.0, 0.0, 0.0, , , -0.00930121541023254, 0.0, 0.0, , 0.00557402987033129, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 24.0, 45.0, , 0.0, 0.0, 0.0, , , , 0.0, 0.0, 7.0, , 0.0, , 0.0, 4.16666650772095, , 0.0, 0.0, , 3.83999991416931, , , 0.0, 0.0, , , , , , , 0.0, , 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, , 0.0, , 2.0, , 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 41.1100006103516, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.49444484710693, 0.0, 0.0, 7.24582433700562, 0.0, 0.0, 50.0, 0.200000002980232, , 0.0, 0.0, 7.55029916763306, 2.0, , 0.0, 0.0, 5.99655437469482, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.33209204673767, 3.80735492706299, 5.0, , 0.0, 214.029998779297, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.400000005960464, , 0.0, 0.0, 0.0, , 1.0, , 0.0, , 0.333333343267441, 0.0, , , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.108364142477512, , 0.0, 0.0, 1.0, -0.00391881726682186, 0.0, , 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H12Cl2N2%2Fc14-10-6-8%281-3-12%2810%2916%295-9-2-4-13%2817%2911%2815%297-9%2Fh1-4%2C6-7H%2C5%2C16-17H2, 0.0, 2.9750542640686 2.9750542640686, 2.09337735176086, -0.0717990025877953, 1.0, 0.0, 2.0, 3.38035488128662 3.38035488128662, 1.29687428474426, 0.0299100000411272, 0.0, 0.0, 4.61595249176025 4.61595249176025, 0.000234583916608244, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 86.0, 274.0, 1.29484522342682 1.29484522342682, 0.0, 0.0, 0.0, 0.0, 1.36088800430298 1.36088800430298, 0.0, 0.0, 0.0, 13.4320983886719, 0.0, 0.0, 1.53873026371002 1.53873026371002, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 3.48444437980652, 0.136082768440247, 0.0, 0.0, 0.0, 0.368390560150146, 10.593695640564, 0.0481125228106976, 5.89441823959351, 0.116352938115597, , 4.50854015350342, 0.729695737361908, 2.0, 4.70290756225586, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.19262623786926, 0.0, 0.109108947217464, 0.0, 2.00318169593811, 0.0, 0.0, 0.0, 1.32037937641144, 0.0, 0.0, 0.0, 0.0, 0.750921726226807, 0.0, 52.0400009155273, 0.100000001490116, 0.380648612976074, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 33.1454849243164, 2.0, 0.0, 22.2358455657959, 0.0, 0.0, 552.0, 0.0, 1203.39184570312, 0.0, 0.0, 33.4716911315918, 0.0, 1366.18395996094, 0.0, 0.0, 37.3562355041504, 0.0, 0.0, 0.0, 0.0, 0.0, 1817.27648925781, 24.1393203735352, 5.08746290206909, 24.0, 1670.65222167969, 0.0, 628.039978027344, 0.0, 1161.79333496094, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.0, 0.0, 12.4138488769531, 0.0, 0.0, 0.5, 8.05855083465576, 0.0, 0.0, 0.0, 1.35105729103088, 0.0, 7.5029935836792, 0.0, 0.0, 7.25204372406006, 0.0, 6.08022594451904, 0.333333343267441, 15.8385400772095, 0.0, 0.0, 4.21766519546509, 6.0, 0.0, 0.147420629858971, 0.0, 0.0, 0.0, 0.0, -0.0306225959211588, 0.0, 3.41826200485229, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H, 0.0, 0.0 0.0, 0.0, 0.00557419145479798, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0, 20.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.20000004768372, 0.0, 0.0, 0.0 0.0, 0.0, 1.44000005722046, 0.176776692271233, 0.0, 0.0, 0.0, 0.639999985694885, 0.0, 0.0453609228134155, 0.0, 0.0, 0.0, 2.71764945983887, 0.0, 1.47140455245972, 0.0, , 0.0, 0.0, 0.0, 0.793148458003998, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.425380796194077, 0.0, 0.0, 0.0, 0.226804599165916, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.1400003433228, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.77446889877319, 0.0, 0.0, 5.66418409347534, 0.0, 0.0, 15.0, 0.0, 137.612670898438, 0.0, 0.0, 5.66418409347534, 0.0, 137.431030273438, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 137.139846801758, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 61.0099983215332, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.5355339050293, 0.0, 0.0, 0.0, 2.5, 0.0, 0.0, 0.0, 0.0, 0.0, 1.76776695251465, 0.0, 0.0, 4.24264049530029, 0.0, 1.25, 0.0, 0.0, 0.0, 0.0, 0.883883476257324, 4.0, 0.0, 0.168022021651268, 0.0, 0.0, 1.0, 0.0, -0.0895852074027061, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FBrHO3.K%2Fc2-1%283%294%3B%2Fh%28H%2C2%2C3%2C4%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 0.0 0.0, 0.0, 0.0483339503407478, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 12.0, 1705032704.0, 0.0 0.0, 0.0, 1.5, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 8.88888931274414, 0.0, 0.0, 0.0 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.78045749664307, 0.0, 1.60356748104095, 0.0, , 0.0, 0.0, 0.0, 0.327326834201813, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 57.2000007629395, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 60.1783409118652, 0.0, 0.0, 26.5859260559082, 0.0, 0.0, 4000000000.0, 0.0, 88.1253967285156, 0.0, 0.0, 5.32340717315674, 0.0, 69.4881134033203, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 62.2679405212402, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 11.0500001907349, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.999000012874603, 1.73205077648163, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.73205077648163, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.193335801362991, 0.0, 0.0, 0.0, 2.0, -0.145001843571663, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FHNO2.Na%2Fc2-1-3%3B%2Fh%28H%2C2%2C3%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 0.0 0.0, 0.0, 0.0103751393035054, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 6.0, -294967296.0, 0.0 0.0, 0.0, 0.5, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0 0.0, 0.0, 12.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.855461895465851, 0.0, 0.182574182748795, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 52.4900016784668, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.57271099090576, 0.0, 0.0, 3.10693192481995, 0.0, 0.0, 3000000000.0, 0.0, 11.6611757278442, 0.0, 0.0, 1.77446901798248, 0.0, 8.06888389587402, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.50552797317505, 0.0, 3.0, 0.0, 0.0, 0.0, 8.03999996185303, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.999000012874603, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 1.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0622508339583874, 0.0, 0.0, 0.0, 1.0, -0.0415005572140217, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H, 0.0, 0.40824830532074 0.40824830532074, 0.0, -0.0436616763472557, 0.0, 0.0, 3.0, 0.0 0.0, 0.0, 0.0267658121883869, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.420848786830902 0.420848786830902, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.47903060913086, 0.0, 2.07722210884094, 0.0, , 0.0, 0.371153742074966, 0.0, 1.62483763694763, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.742307484149933, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 28.1382598876953, 0.0, 0.0, 9.85521221160889, 0.0, 0.0, 18.0, 0.0, 250.480194091797, 1.0, 0.0, 17.5679664611816, 0.0, 224.30989074707, 0.0, 0.0, 17.4255065917969, 0.0, 0.0, 0.0, 0.0, 0.0, 188.053802490234, 0.0, 3.32192802429199, 2.0, 72.2740325927734, 0.0, 5.03000020980835, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 1.0, 0.0, 0.0, 0.40824830532074, 0.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0976628810167313, 0.0, 0.0, 0.0, 0.0, -0.0319355763494968, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H9N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C8%29, , 1.08925569057465 1.08925569057465, 0.0, 0.0917201563715935, 2.0, 0.0, 0.0, 1.20710682868958 1.20710682868958, 0.0, -0.083023726940155, , 0.0, 0.804737865924835 0.804737865924835, 0.0258188657462597, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 63.0, 0.203561648726463 0.203561648726463, 0.0, 0.25, 0.0, 0.0, 0.179245501756668 0.179245501756668, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.110408402979374 0.110408402979374, 0.0, 4.83950614929199, 0.0, 0.0, 0.0, 0.0, 3.55555558204651, 0.0, 0.0, 1.0, 0.0, 0.0, 5.16410255432129, 0.0, 2.60312223434448, 0.0, , 0.0, 0.120710678398609, 0.0, 1.52839851379395, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.778459012508392, 0.0, 0.0158113874495029, , 0.397199749946594, 1.0, 0.0, 0.0, 0.146726533770561, , , , 0.0, 0.0, 0.0, 76.75, 0.0, 0.0, , 0.333333343267441, 0.0, 0.0, , 0.5, 11.6289024353027, 0.0, 0.0, 9.74410152435303, 0.0, , 96.0, 0.0, 293.121551513672, 1.0, 0.0, 11.5189418792725, 1.41421353816986, 292.02001953125, 0.0, 0.0, 11.4082860946655, 0.0, 0.0, 0.0, , 0.25, 312.041687011719, 9.32448959350586, 4.16992521286011, 9.0, 269.118988037109, 0.0, 217.050003051758, 0.0, 170.500854492188, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 7.27602100372314, , , 0.400000005960464, 4.21874380111694, 0.0, 0.0, 0.0, 0.5, 1.0, 3.20102000236511, 0.0, 0.0, 1.0, , 2.12665247917175, 0.16666667163372, 0.816496610641479, 0.0, 0.0, 1.37965285778046, 0.0, 0.0, 0.157817736268044, 0.0, 0.0, 0.0, 1.0, -0.112797528505325, 1.0, 0.537457466125488, 0.0, 0.0, 0.0
-InChI%3D1S%2F3C2H7O3P.Al.3H%2Fc3%2A1-2-5-6%283%294%3B%3B%3B%3B%2Fh3%2A6H%2C2H2%2C1H3%2C%28H%2C3%2C4%29%3B%3B%3B%3B%2Fq%3B%3B%3B%2B3%3B%3B%3B%2Fp-3, 0.0, 0.866025388240814 0.866025388240814, 0.0, 0.716541826725006, 3.0, 3.0, 0.0, 0.866025388240814 0.866025388240814, 0.0, -0.148538380861282, 0.0, 0.0, 0.0 0.0, -0.0467128753662109, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 60.0, -64771104.0, 0.0 0.0, 0.0, 8.23920402126532e-07, 0.0, 0.0, 0.0 0.0, 0.0, 1.42866092573968e-05, 0.0, 27.3600006103516, 0.0, 0.0, 0.0 0.0, 0.0, 23.1200008392334, 0.0, 0.0, 0.0, 0.0, 56.8888893127441, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0708103179932, 0.0, 6.66158056259155, 0.0, , 0.0, 0.0, 0.0, 2.91506361961365, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.82936823368073, 0.0, 0.0, 0.0, 0.530330061912537, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 218.490005493164, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 46.9680099487305, 0.0, 0.0, 37.9135398864746, 3.00000002617651e-09, 0.0, 125999996928.0, 3.00000002617651e-09, 210.580642700195, 0.0, 0.0, 27.7030162811279, 9.0000003183377e-06, 182.254898071289, 0.0, 0.0, 15.7290706634521, 0.0, 0.0, 0.0, 0.0, 0.0, 145.600799560547, 7.99255180358887, 5.24792766571045, 9.0, 94.2711715698242, 0.0, 747.130004882812, 0.0, 48.7713584899902, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.9746913909912, 0.0, 0.0, 0.999000012874603, 8.31016635894775, 0.0, 0.0, 0.0, 1.22474491596222, 0.0, 6.54756593704224, 0.0, 0.0, 3.00000002617651e-09, 0.0, 2.5980761051178, 0.0, 0.0, 0.0, 0.0, 1.73205077648163, 0.0, 0.0, 1.40362870693207, 0.0, 0.0, 0.0, 3.0, -1.22310495376587, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3, 0.0, 2.12078189849854 2.12078189849854, 0.40824830532074, 0.545852959156036, 0.0, 3.0, 2.0, 1.92951393127441 1.92951393127441, 0.0, -0.253500878810883, 0.0, 0.0, 1.3216780424118 1.3216780424118, -0.153742998838425, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 46.0, 94.0, 0.504617691040039 0.504617691040039, 0.0, 0.0, 0.0, 0.0, 0.386088639497757 0.386088639497757, 0.0, 1.5, 0.0, 11.0, 0.0, 0.0, 0.272350877523422 0.272350877523422, 0.0, 4.79289960861206, 0.0, 0.0, 1.0, 0.0, 4.44444465637207, 0.0, 0.0, 0.0, 0.0, 0.0, 7.6492862701416, 0.0, 3.57076072692871, 0.0, , 0.0, 0.553819298744202, 0.0, 2.79270768165588, 0.0, 0.0, 0.0, 0.0186432246118784, 0.0, 0.0, 1.21125984191895, 0.0, 0.0, 0.0, 0.517270445823669, 2.0, 0.0, 0.0, 0.284269422292709, 0.0, 0.0, 0.0, 0.0, 0.146458253264427, 0.0, 54.5699996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 35.1737976074219, 0.0, 0.0, 24.6407566070557, 1.5, 0.0, 168.0, 0.25, 341.682891845703, 1.0, 0.0, 34.3316535949707, 0.5, 340.519897460938, 0.0, 0.0, 22.4316387176514, 0.0, 0.0, 0.0, 0.0, 0.400000005960464, 375.244720458984, 22.2203903198242, 4.45943164825439, 12.0, 310.168304443359, 0.0, 179.070007324219, 0.0, 243.106704711914, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.90577697753906, 0.0, 0.0, 0.5, 5.03782272338867, 1.0, 0.0, 0.0, 1.33502495288849, 0.0, 4.45028877258301, 0.0, 0.176776692271233, 0.0, 0.0, 3.03234791755676, 0.0, 1.0, 0.0, 0.0, 1.24069023132324, 0.0, 0.0, 0.62253075838089, 0.0, 0.0, 0.0, 1.0, -0.606948912143707, 0.0, 0.901047587394714, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3, 0.0, 1.43566012382507 1.43566012382507, 1.46783006191254, 0.583196222782135, 9.0, 3.0, 0.0, 2.03033018112183 2.03033018112183, 0.640165030956268, -0.310027956962585, 0.0, 0.0, 1.88832521438599 1.88832521438599, -0.000262431451119483, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 68.0, 236.0, 0.290619105100632 0.290619105100632, 0.0, 0.0, 0.0, 0.0, 0.3820461332798 0.3820461332798, 0.0, 1.5, 0.0, 17.0, 0.0, 0.0, 0.367020457983017 0.367020457983017, 0.0, 11.1111106872559, 0.0, 0.0, 1.0, 0.0, 9.67901229858398, 0.0, 0.0, 0.0, 0.0, 0.0, 11.6681098937988, 0.0, 7.08333921432495, 0.0, , 0.0, 0.182665541768074, 0.0, 4.42542695999146, 0.0, 0.0, 0.0, 0.0186432246118784, 0.0, 0.0, 2.61653876304626, 0.0, 0.0, 0.0, 1.3947879076004, 3.0, 0.0, 0.0, 0.883842825889587, 0.0, 0.0, 0.0, 0.0, 0.607617795467377, 0.0, 54.5699996948242, 0.0, 0.286433756351471, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.7482891082764, 0.0, 0.0, 26.7372817993164, 1.5, 0.0, 616.0, 0.300000011920929, 580.131408691406, 0.0, 0.0, 28.3796081542969, 5.55088710784912, 571.311096191406, 0.0, 0.0, 26.721622467041, 0.0, 0.0, 0.0, 0.0, 0.0, 599.830810546875, 26.721622467041, 5.08746290206909, 18.0, 601.969177246094, 0.0, 1577.05004882812, 0.0, 609.612976074219, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 12.9852809906006, 0.0, 0.0, 0.5, 8.18198013305664, 0.0, 0.0, 0.0, 0.926776707172394, 0.0, 6.1819806098938, 0.0, 0.176776692271233, 8.99300861358643, 0.0, 4.15165042877197, 0.0, 0.0, 0.0, 0.0, 2.78033018112183, 0.0, 0.0, 0.550389409065247, 0.0, 0.0, 0.0, 1.0, -0.579319775104523, 0.0, 1.81066012382507, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H9NO%2Fc7-6-5-3-1-2-4-5%2Fh7H%2C1-4H2, 0.0, 0.492799282073975 0.492799282073975, 0.20412415266037, -0.00998873449862003, 4.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.0, -0.00680893799290061, 0.0, 0.0, 0.20412415266037 0.20412415266037, -0.000807843811344355, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 30.0, 44.0, 0.208113878965378 0.208113878965378, 0.0, 0.0, 0.0, 0.0, 0.238415777683258 0.238415777683258, 0.0, 0.0, 0.0, 5.14285707473755, 0.0, 0.0, 0.0500000007450581 0.0500000007450581, 0.0, 2.34375, 0.144337564706802, 0.0, 0.0, 0.0, 1.1851851940155, 0.102062076330185, 0.125, 1.0, 0.0, 0.102062076330185, 4.22285413742065, 0.0559016987681389, 2.63071346282959, 0.025000000372529, , 0.0, 0.111803397536278, 0.0, 1.87333452701569, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.32213497161865, 0.0, 0.0, 0.0, 0.883113861083984, 0.0, 0.0, 0.0, 0.182514071464539, 0.0, 0.0, 0.0, 0.0, 0.0500000007450581, 0.0, 32.5900001525879, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.13445663452148, 0.0, 0.0, 7.719651222229, 0.0, 0.0, 43.0, 0.0, 275.244934082031, 1.0, 0.0, 8.66446208953857, 0.0, 290.658325195312, 0.0, 0.0, 4.99655437469482, 0.0, 0.0, 0.0, 0.0, 0.0, 332.517974853516, 2.66418385505676, 3.80735492706299, 4.0, 123.924812316895, 0.0, 214.020004272461, 0.0, 50.3468284606934, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 4.0, 0.0, 5.11288404464722, 0.0, 0.0, 0.5, 3.4318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.55873084068298, 0.0, 0.0, 4.24264049530029, 0.0, 2.05209517478943, 0.0, 2.82842707633972, 0.0, 0.0, 1.41861128807068, 0.0, 0.0, 0.0232773516327143, 0.0, 0.0, 0.0, 0.0, 0.00596684031188488, 0.0, 0.492799282073975, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H16ClN3O7%2Fc10-1-2-13%2812-19%299%2818%2911-5-7%2816%296%2815%294%283-14%2920-8%285%2917%2Fh4-8%2C14-17H%2C1-3H2%2C%28H%2C11%2C18%29%2Ft4-%2C5%3F%2C6-%2C7-%2C8%3F%2Fm1%2Fs1, 0.0, 3.65507459640503 3.65507459640503, 1.90129578113556, -0.120017521083355, 3.0, 1.0, 1.0, 5.42832183837891 5.42832183837891, 1.19747889041901, 0.164539396762848, 0.0, 0.0, 7.41556262969971 7.41556262969971, -0.395425349473953, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 94.0, 325.0, 1.07959830760956 1.07959830760956, 0.0, 2.74945116043091, 0.0, 0.0, 1.29679822921753 1.29679822921753, 0.0, 1.62648916244507, 0.0, 18.0499992370605, 0.0, 0.0, 1.42665159702301 1.42665159702301, 0.0, 8.44444465637207, 0.0, 0.0, 0.0, 0.0, 4.4963264465332, 0.0453609228134155, 0.0, 5.0, 0.0, 0.200232788920403, 11.0361700057983, 0.0261891391128302, 6.2334156036377, 0.0653670728206635, , 7.27411651611328, 0.53071403503418, 0.0, 4.42028713226318, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.9263744354248, 0.0, 0.0991452634334564, 0.0, 1.83934283256531, 0.0, 0.0, 0.0, 1.07265913486481, 0.0, 0.0, 0.0, 0.0, 0.500965774059296, 0.0, 155.410003662109, 0.0, 0.243076831102371, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 34.2140007019043, 0.0, 0.0, 25.8545761108398, 0.0, 0.0, 830.0, 0.0, 974.084228515625, 1.0, 0.0, 35.5663452148438, 0.0, 1103.50927734375, 0.0, 0.0, 43.9893760681152, 0.0, 0.0, 0.0, 0.0, 0.0, 1464.90405273438, 42.746940612793, 5.32192802429199, 32.0, 1562.07922363281, 0.0, 916.109985351562, 0.0, 1299.62817382812, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.41421353816986, 4.0, 0.0, 15.2840929031372, 0.0, 0.0, 0.454545468091965, 9.45512580871582, 0.0, 0.0, 0.0, 1.32572078704834, 2.0, 7.93339157104492, 5.0, 0.0, 0.721124768257141, 0.0, 6.81060647964478, 0.499979764223099, 4.38449954986572, 0.0, 0.0, 5.07336950302124, 0.0, 0.0, 0.822011291980743, 0.0, 0.0, 0.0, 1.0, -0.318532943725586, 1.0, 3.54913663864136, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC7H14N2O%2Fc10-8-9-6-4-2-1-3-5-7-9%2Fh1-7H2, , 0.492799282073975 0.492799282073975, 0.942031562328339, 0.0289620198309422, 7.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.654647946357727, -0.0211227033287287, , 0.0, 0.492799282073975 0.492799282073975, -0.00434265425428748, , 0.0, 0.5, 0.0, 0.0, 0.0, 42.0, 92.0, 0.182246178388596 0.182246178388596, 0.0, 0.0, 0.0, 0.0, 0.207735031843185 0.207735031843185, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.182246178388596 0.182246178388596, 0.0, 4.76033067703247, 0.0, 0.0, 0.0, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 0.0, 6.25242280960083, 0.0, 4.01502990722656, 0.0, , 0.0, 0.100000001490116, 0.0, 2.80307960510254, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.94792556762695, 0.0, 0.0, , 1.31241810321808, 0.0, 0.0, 0.0, 0.882076680660248, 0.0, 0.0, , 0.0, 0.591235756874084, 0.0, 32.6699981689453, 0.0, 0.39509528875351, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.4944448471069, 0.0, 0.0, 11.2458248138428, 0.0, , 121.0, 0.0, 463.296020507812, 0.0, 0.0, 12.218207359314, 0.0, 481.966888427734, 0.0, 0.0, 13.3289251327515, 0.0, 0.0, 0.0, 0.0, 0.0, 527.062805175781, 9.16273975372314, 4.32192802429199, 12.0, 549.447387695312, 0.0, 486.029998779297, 0.0, 335.505828857422, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 5.0, 0.0, 7.23420429229736, , , 0.333333343267441, 4.93185186386108, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 3.61939096450806, 0.0, 0.0, 10.324803352356, 0.0, 2.80209517478943, 0.0, 0.0, 0.0, 0.0, 1.94894134998322, 0.0, 0.0, 0.0583857260644436, 0.0, 0.0, 0.0, 1.0, -0.0322740711271763, 1.0, 1.35517168045044, 0.0, 0.0, 0.0
-InChI%3D1S%2FC17H14O6%2Fc1-20-10-6-11-14%288-4-5-21-17%288%2922-11%2915-13%2810%297-2-3-9%2818%2912%287%2916%2819%2923-15%2Fh4-6%2C8-9%2C17-18H%2C2-3H2%2C1H3%2Ft8-%2C9%2B%2C17%3F%2Fm0%2Fs1, 0.0, 4.77183055877686 4.77183055877686, 6.33019351959229, 0.193024411797523, 2.0, 4.0, 0.0, 9.372727394104 9.372727394104, 5.1583833694458, -0.382458865642548, 0.0, 0.0, 13.8004693984985 13.8004693984985, 0.438549786806107, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 138.0, 371.0, 2.11540603637695 2.11540603637695, 0.0, 0.25, 0.0, 0.0, 3.43030333518982 3.43030333518982, 0.0, 1.44741547107697, 0.0, 15.2702331542969, 0.0, 0.0, 4.15882158279419 4.15882158279419, 0.0, 5.5, 0.29264360666275, 0.0, 0.0, 0.0, 2.08284020423889, 0.661460280418396, 0.175606653094292, 1.0, 0.0, 1.16455733776093, 12.5214710235596, 0.285692662000656, 7.82071352005005, 0.383012443780899, , 21.3672943115234, 0.832598268985748, 0.0, 6.4081506729126, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.33761167526245, 0.0, 0.213527247309685, 0.0, 4.31934928894043, 1.0, 0.0, 0.0, 2.87470984458923, 0.0, 0.0, 0.0, 0.0, 1.97122287750244, 0.0, 74.2200012207031, 0.0, 1.37053334712982, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.6468143463135, 5.0, 0.0, 30.3209190368652, 1.51622176170349, 0.0, 999.0, 0.0, 1653.98034667969, 1.0, 0.0, 47.8661346435547, 0.908832609653473, 2101.3134765625, 0.0, 0.0, 50.6418380737305, 0.0, 0.0, 0.0, 0.0, 2.4911732673645, 3316.82250976562, 53.1858177185059, 5.52356195449829, 44.0, 3350.23071289062, 0.0, 1343.06005859375, 0.0, 3083.298828125, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 7.0, 0.0, 15.7148141860962, 0.0, 0.0, 0.444444447755814, 11.1858720779419, 2.0, 0.0, 0.0, 1.71298611164093, 0.0, 10.5820302963257, 5.0, 0.0, 2.52726197242737, 0.0, 9.92727088928223, 0.563091933727264, 16.7302055358887, 0.0, 0.0, 9.53385257720947, 1.0, 0.0, 0.823289752006531, 0.0, 0.0, 0.0, 1.0, -0.432750761508942, 0.0, 7.65975141525269, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H22N2O%2Fc1-3-5-7-9-12%2811-13%2910-8-6-4-2%2Fh3-10H2%2C1-2H3, , 0.492799282073975 0.492799282073975, 0.82887876033783, 0.0289573762565851, 8.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.450523793697357, -0.0211942940950394, , 0.0, 0.492799282073975 0.492799282073975, -0.00434269802644849, , 0.0, 1.0, 0.0, 0.0, 0.0, 48.0, 174.0, 0.182246178388596 0.182246178388596, 0.0, 0.0, 0.0, 0.0, 0.207735031843185 0.207735031843185, 0.0, 0.0, 0.0, 13.0, 0.0, 0.0, 0.182246178388596 0.182246178388596, 0.0, 10.0833330154419, 0.0, 0.0, 0.0, 0.0, 8.33333301544189, 0.0, 0.0, 0.0, 0.0, 0.0, 8.95952987670898, 0.0, 5.42924308776855, 0.0, , 0.0, 0.100000001490116, 0.0, 3.44952630996704, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.15503239631653, 0.0, 0.0, 0.0, 1.28208804130554, 2.0, 0.0, 0.0, 0.697569608688354, 0.0, 0.0, , 0.0, 0.466643810272217, 0.0, 32.6699981689453, 0.0, 0.231685176491737, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.4944448471069, 0.0, 0.0, 13.2458248138428, 0.0, , 314.0, 0.100000001490116, 570.298889160156, 0.0, 0.0, 13.218207359314, 3.94930672645569, 562.29638671875, 0.0, 0.0, 13.3289251327515, 0.0, 0.0, 0.0, 0.0, 0.0, 567.144653320312, 12.3289251327515, 4.70043992996216, 12.0, 537.389099121094, 0.0, 1000.03002929688, 0.0, 474.413299560547, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 6.0, 0.0, 9.94131088256836, 0.0, , 0.5, 6.34606504440308, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 4.26583766937256, 0.0, 0.0, 9.65811824798584, 0.0, 3.009202003479, 0.0, 0.0, 0.0, 0.0, 1.91861128807068, 0.0, 0.0, 0.0583857148885727, 0.0, 0.0, 0.0, 1.0, -0.0322742648422718, 1.0, 1.18972265720367, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2, 0.0, 0.0 0.0, 0.0, -0.0331796258687973, 2.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0165898129343987, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 10.0, 14.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.34213542938232, 0.0, 3.27746033668518, 0.0, , 0.0, 0.0, 0.0, 1.96396100521088, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.92857146263123, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 90.5161819458008, 0.0, 0.0, 14.3053512573242, 0.0, 0.0, 10.0, 0.0, 231.67333984375, 0.0, 0.0, 13.3053512573242, 0.0, 184.801040649414, 0.0, 0.0, 44.2580909729004, 0.0, 0.0, 0.0, 0.0, 0.0, 111.886520385742, 0.0, 3.0, 1.0, 42.9221534729004, 0.0, 37.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.41421365737915, 2.0, 0.0, 0.333333343267441, 1.91421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0663592517375946, 0.0, 0.0, 0.0, 0.0, -0.0165898129343987, 0.0, 0.0, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC4Cl6%2Fc5-1%283%287%298%292%286%294%289%2910, 0.0, 2.42848968505859 2.42848968505859, 0.0, -0.0667404532432556, 0.0, 0.0, 6.0, 2.26581168174744 2.26581168174744, 0.0, -0.00285590719431639, 0.0, 0.0, 2.60712242126465 2.60712242126465, -0.0309224259108305, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 42.0, 70.0, 2.15638256072998 2.15638256072998, 0.0, 0.0, 0.0, 0.0, 1.89696860313416 1.89696860313416, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 2.23559403419495 2.23559403419495, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 0.0, 8.80336093902588, 0.0, 4.15168046951294, 0.0, , 3.96540641784668, 0.926330506801605, 0.0, 3.80350112915039, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.5200629234314, 0.0, 0.444822877645493, 0.0, 0.926330506801605, 0.0, 0.0, 0.0, 0.321428567171097, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 56.2765197753906, 0.0, 0.0, 20.7104244232178, 0.0, 0.0, 121.0, 0.0, 849.533142089844, 4.0, 0.0, 43.0394058227539, 0.0, 898.04638671875, 0.0, 0.0, 62.2741928100586, 0.0, 0.0, 0.0, 0.0, 0.0, 1062.17541503906, 46.6579627990723, 4.32192802429199, 12.0, 919.217224121094, 0.0, 9.0600004196167, 0.0, 542.155151367188, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 8.309401512146, 0.0, 0.0, 0.400000005960464, 4.46410179138184, 0.0, 0.0, 0.0, 1.05156683921814, 0.0, 4.20626735687256, 0.0, 0.0, 0.0, 0.0, 2.93247842788696, 0.496011286973953, 0.0, 0.0, 0.0, 1.2142448425293, 0.0, 0.0, 0.195325762033463, 0.0, 0.0, 0.0, 0.0, -0.0433839522302151, 0.0, 0.444444447755814, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2, 0.0, 0.20412415266037 0.20412415266037, 0.0, -0.0761098116636276, 2.0, 1.0, 0.0, 0.0 0.0, 0.0, 0.0379717871546745, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 22.0, 25.0, 0.0527046285569668 0.0527046285569668, 0.0, 0.0, 0.0, 0.288675129413605, 0.0 0.0, 0.16666667163372, 0.333333343267441, 0.0, 3.20000004768372, 0.20412415266037, 0.0, 0.0 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.117851130664349, 0.639999985694885, 0.0, 0.0, 1.0, 0.0, 0.0, 2.84702563285828, 0.0, 1.65710175037384, 0.0, , 0.0, 0.117851130664349, 0.0, 1.13791596889496, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.439337313175201, 0.0, 0.0, 0.0, 0.105409257113934, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.7599983215332, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.54893827438354, 0.0, 0.0, 5.99627590179443, 0.0, 0.0, 17.0, 0.0, 108.833946228027, 0.0, 0.0, 3.66418385505676, 0.0, 114.96305847168, 0.0, 0.0, 3.10656094551086, 0.0, 0.0, 0.0, 0.0, 0.0, 65.0820922851562, 0.0, 3.32192802429199, 2.0, 32.9785003662109, 0.0, 101.019996643066, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 3.69867062568665, 0.0, 0.0, 0.333333343267441, 2.4318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 0.0, 1.85162401199341, 1.0, 0.0, 0.5, 0.0, 0.985598564147949, 0.0, 2.0, 0.0, 0.0, 0.40824830532074, 0.0, 0.0, 0.277053087949753, 0.0, 0.0, 0.0, 0.0, -0.100388512015343, 0.0, 0.0, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC18H15N3O%2Fc1-21%2820-22%2916-10-7-14%288-11-16%296-9-15-12-13-19-18-5-3-2-4-17%2815%2918%2Fh2-13H%2C1H3, 0.0, 2.90295052528381 2.90295052528381, 3.29430818557739, 0.0261276550590992, 0.0, 0.0, 0.0, 4.27843523025513 4.27843523025513, 2.38086462020874, -0.0282977726310492, 0.0, 0.0, 5.36507081985474 5.36507081985474, -0.00674645183607936, 0.0, 0.0, 0.857142865657806, 0.0, 0.0, 0.0, 112.0, 483.0, 1.04592084884644 1.04592084884644, 0.0, 0.0, 0.0, 0.0, 1.24157202243805 1.24157202243805, 0.0, 0.0, 0.0, 16.84375, 0.0, 0.0, 1.27607667446136 1.27607667446136, 0.0, 8.203125, 0.0, 0.0, 0.0, 0.0, 4.30839014053345, 0.234708055853844, 0.0, 0.0, 0.0, 0.358413755893707, 12.1780920028687, 0.0741894543170929, 6.96660995483398, 0.0870464593172073, , 3.10267162322998, 0.490812480449677, 0.0, 4.94745016098022, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.52734279632568, 2.0, 0.0760234966874123, 0.0, 2.29762434959412, 1.0, 0.0, 0.0, 1.53420889377594, 0.0, 0.0, 0.0, 0.0, 0.822062134742737, 0.0, 45.560001373291, 0.0, 0.47557857632637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.8544330596924, 3.0, 0.0, 25.5781955718994, 0.0, 0.0, 1191.0, 0.0, 1435.34948730469, 0.0, 0.0, 33.7167625427246, 1.79623365402222, 1655.52612304688, 0.0, 0.0, 34.8274803161621, 0.0, 0.0, 0.0, 0.0, 0.846259415149689, 2219.69262695312, 27.4951095581055, 5.45943164825439, 33.0, 2187.44189453125, 0.0, 1059.0400390625, 0.0, 1679.07763671875, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0909090936183929, 2.0, 0.0, 0.63245552778244, 11.0, 0.0, 15.3635969161987, 0.0, 0.0, 0.461538463830948, 10.7751884460449, 2.0, 0.0, 0.0, 1.07590913772583, 1.0, 9.14306259155273, 0.0, 0.0, 17.3592090606689, 0.0, 8.00900554656982, 0.253933906555176, 19.2660350799561, 1.0, 0.0, 6.25913381576538, 10.0, 0.0, 0.12542037665844, 0.0, 0.0, 0.0, 1.0, -0.063168928027153, 1.0, 5.05553340911865, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC6H9NO6.3Na.H2O%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%3B%3B%3B%3B%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29%3B%3B%3B%3B1H2%2Fq%3B3%2A%2B1%3B%2Fp-3, 0.0, 1.06066012382507 1.06066012382507, 1.15470051765442, -0.268628835678101, 3.0, 0.0, 0.0, 1.9112309217453 1.9112309217453, 0.0, 0.789635539054871, 0.0, 0.0, 1.74740028381348 1.74740028381348, -0.12127336114645, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 54.0, -1769803776.0, 0.237170830368996 0.237170830368996, 0.0, 3.1143274307251, 0.0, 0.0, 0.215409994125366 0.215409994125366, 0.0, 0.0, 0.0, 30.2222213745117, 0.0, 0.0, 0.096824586391449 0.096824586391449, 0.0, 16.0, 0.0, 0.0, 0.0, 0.0, 21.7777786254883, 0.0, 0.0, 0.0, 0.0, 0.0, 5.79327869415283, 0.0, 2.62171602249146, 0.0, , 0.75, 0.15811388194561, 0.0, 1.57817471027374, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.864469587802887, 0.0, 0.0, 0.0, 0.441566377878189, 0.0, 0.0, 0.0, 0.136930644512177, 0.0, 0.0, 0.0, 0.0, 0.0279508493840694, 0.0, 123.629997253418, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 30.7726268768311, 0.0, 0.0, 14.4911079406738, 0.0, 0.0, 57999998976.0, 0.0, 417.852142333984, 3.0, 0.0, 19.8145141601562, 0.0, 439.610534667969, 0.0, 0.0, 15.3207960128784, 0.0, 0.0, 0.0, 0.0, 0.0, 514.935607910156, 18.9851036071777, 5.08746290206909, 12.0, 442.473815917969, 0.0, 128.110000610352, 0.0, 433.440979003906, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.430721282959, 0.0, 0.0, 0.999000012874603, 5.9135913848877, 0.0, 0.0, 0.0, 1.42886900901794, 0.0, 5.75467252731323, 0.0, 0.0, 1.5, 0.0, 2.41421365737915, 0.0, 4.32674884796143, 0.0, 0.0, 2.28867506980896, 0.0, 0.0, 0.960497677326202, 0.0, 0.0, 0.0, 3.0, -0.480450510978699, 1.0, 1.15470051765442, 0.0, 0.0, 0.0
-InChI%3D1S%2FH4N2.H2O4S%2Fc1-2%3B1-5%282%2C3%294%2Fh1-2H2%3B%28H2%2C1%2C2%2C3%2C4%29, 0.0, 0.0 0.0, 0.0, 0.0727775692939758, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 22.0, 1410065408.0, 0.0 0.0, 0.0, 3.0, 1.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 10.0799999237061, 0.0, 0.0, 0.0 0.0, 0.0, 4.16666650772095, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 2.0, 0.0, 0.0, 3.73273420333862, 0.0, 1.81689238548279, 0.0, , 0.0, 0.270859599113464, 1.0, 0.951187908649445, 0.0, 0.0, 0.0, 0.0289036650210619, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 135.020004272461, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.9456043243408, 0.0, 0.0, 15.5855855941772, 0.0, 0.0, 10000000000.0, 0.0, 170.748794555664, 0.0, 0.0, 10.6468143463135, 0.0, 140.349899291992, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 165.526519775391, 0.0, 3.80735492706299, 0.0, 0.0, 0.0, 79.0699996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.5, 0.0, 0.0, 0.999000012874603, 3.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.269426554441452, 0.0, 0.0, 0.0, 2.0, -0.207490846514702, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC18H16N2O7S2.2Na%2Fc1-10-3-6-15%2811%282%297-10%2919-20-17-14-5-4-13%2828%2822%2C23%2924%298-12%2814%299-16%2818%2817%2921%2929%2825%2C26%2927%3B%3B%2Fh3-9%2C21H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb20-19%2B%3B%3B, 0.0, 6.7586030960083 6.7586030960083, 4.8912935256958, -0.0709871724247932, 0.0, 0.0, 0.0, 9.76192855834961 9.76192855834961, 3.73945641517639, -0.203716397285461, 0.0, 0.0, 13.3850498199463 13.3850498199463, 0.160473957657814, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 158.0, 1870457856.0, 1.93606865406036 1.93606865406036, 0.0, 4.30676078796387, 2.0, 0.0, 2.19701457023621 2.19701457023621, 0.0, 0.0, 0.0, 29.0322589874268, 0.0, 0.0, 2.56185221672058 2.56185221672058, 0.0, 10.9505205154419, 0.0, 0.0, 0.0, 0.0, 6.75667905807495, 0.181443691253662, 0.0, 1.0, 0.0, 0.469878643751144, 15.2503061294556, 0.0661547183990479, 9.12150955200195, 0.150193870067596, , 10.4920253753662, 1.22409343719482, 0.0, 7.24083852767944, 0.0, 0.0, 0.0, 0.0323152802884579, 0.0, 0.0, 4.68170356750488, 2.0, 0.168108016252518, 0.0, 3.08815932273865, 2.0, 0.00932861771434546, 0.0, 2.12182140350342, 0.0, 0.0, 0.0, 0.0, 1.31885755062103, 0.0, 176.110000610352, 0.0, 0.746424198150635, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 54.7243347167969, 4.0, 0.0, 50.7024192810059, 0.0, 0.0, 59000000512.0, 0.25, 2277.73999023438, 0.0, 0.0, 62.9798011779785, 2.71723890304565, 2698.46411132812, 0.0, 0.0, 66.1001434326172, 0.0, 0.0, 0.0, 0.0, 3.70429754257202, 3993.8427734375, 63.9806175231934, 5.95419645309448, 50.0, 4143.59716796875, 0.0, 1095.13000488281, 0.0, 3684.5859375, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 0.0, 21.5601139068604, 0.0, 0.0, 0.999000012874603, 13.3750476837158, 0.0, 0.0, 0.0, 4.316565990448, 2.0, 14.2640657424927, 0.0, 0.577350258827209, 4.85390138626099, 0.0, 10.2749338150024, 1.17462301254272, 18.1793937683105, 0.0, 0.0, 8.32046222686768, 7.0, 0.0, 0.742733597755432, 0.262188702821732, 0.0, 0.0, 4.0, -0.221070244908333, 0.0, 6.58336544036865, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H8N4O4%2Fc13-8-9-3-4-11%288%2910-5-6-1-2-7%2816-6%2912%2814%2915%2Fh1-2%2C5H%2C3-4H2%2C%28H%2C9%2C13%29, 0.0, 2.44556045532227 2.44556045532227, 1.69861924648285, -0.0846107676625252, 2.0, 0.0, 0.0, 2.89950346946716 2.89950346946716, 0.947890520095825, 0.205719798803329, 0.0, 0.0, 2.66218137741089 2.66218137741089, -0.041251003742218, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 80.0, 244.0, 0.477594941854477 0.477594941854477, 0.0, 0.550321221351624, 0.0, 0.0, 0.515789449214935 0.515789449214935, 0.0, 0.793700516223907, 0.0, 12.4567470550537, 0.0, 0.0, 0.321066826581955 0.321066826581955, 0.16666667163372, 5.55765581130981, 0.235702261328697, 0.0, 0.0, 0.0, 3.25, 0.352559179067612, 0.0840206891298294, 1.0, 0.0, 0.385379761457443, 8.10707759857178, 0.0795777291059494, 4.45783710479736, 0.0529007539153099, , 0.825481832027435, 0.273445844650269, 0.0, 2.9825439453125, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.91279399394989, 0.0, 0.0229262411594391, 0.0, 1.17203521728516, 0.0, 0.0, 0.0, 0.501133918762207, 0.0, 0.0, 0.0, 0.0, 0.250138759613037, 0.0, 107.150001525879, 0.0, 0.120307706296444, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.5378284454346, 0.0, 0.0, 20.4603080749512, 0.0, 0.0, 491.0, 0.0, 685.599182128906, 1.0, 0.0, 28.6186122894287, 0.0, 779.334838867188, 0.0, 0.0, 23.1751518249512, 0.0, 0.0, 0.0, 0.0, 0.0, 1023.40362548828, 17.0448513031006, 5.0, 18.0, 745.325378417969, 0.0, 385.079986572266, 0.0, 600.862182617188, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.33748066425323, 3.0, 0.0, 11.5436058044434, 0.0, 0.0, 0.444444447755814, 7.66470384597778, 1.0, 0.0, 0.0, 1.10649311542511, 2.0, 6.92879199981689, 0.0, 0.0, 3.19322633743286, 0.0, 5.50942230224609, 0.284517794847488, 5.47991371154785, 0.0, 0.0, 4.08218955993652, 2.0, 0.0, 0.509424567222595, 0.0, 0.0, 1.0, 2.0, -0.263898819684982, 1.0, 2.47233748435974, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H6O2%2Fc1-3-6-4%282%295%2Fh3H%2C1H2%2C2H3, 0.0, 0.288675129413605 0.288675129413605, 0.0, 0.0409824810922146, 0.0, 1.0, 0.0, 0.288675129413605 0.288675129413605, 0.0, -0.0115832202136517, 0.0, 0.0, 0.0 0.0, -0.00462126126512885, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 31.0, 0.0481125228106976 0.0481125228106976, 0.0, 0.0, 0.0, 0.0, 0.0340206921100616 0.0340206921100616, 0.0, 0.5, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.20000004768372, 0.0, 0.0, 0.0, 0.0, 5.33333349227905, 0.0, 0.0, 0.0, 0.0, 0.0, 3.60095357894897, 0.0, 1.55219888687134, 0.0, , 0.0, 0.0833333358168602, 0.0, 0.776099443435669, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.249296993017197, 0.0, 0.0, 0.0, 0.117354027926922, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 26.2999992370605, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.54893827438354, 0.0, 0.0, 5.99627590179443, 0.0, 0.0, 32.0, 0.25, 146.111511230469, 1.0, 0.0, 6.77074480056763, 1.15470051765442, 129.773406982422, 0.0, 0.0, 3.33209204673767, 0.0, 0.0, 0.0, 0.0, 1.15470051765442, 118.43172454834, 2.33209204673767, 3.58496260643005, 3.0, 70.2119369506836, 0.0, 91.0199966430664, 0.0, 38.9798126220703, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.99156379699707, 0.0, 0.0, 0.5, 2.77005553245544, 1.0, 0.0, 0.0, 0.40824830532074, 0.0, 2.18252205848694, 0.0, 0.0, 0.0, 0.0, 0.866025388240814, 0.0, 0.5, 0.0, 0.0, 0.577350258827209, 0.0, 0.0, 0.249892115592957, 0.0, 0.0, 0.0, 1.0, -0.149724051356316, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H12N2O2%2Fc1-2-13-8-5-3-7%284-6-8%2911-9%2810%2912%2Fh3-6H%2C2H2%2C1H3%2C%28H3%2C10%2C11%2C12%29, 0.0, 1.07524120807648 1.07524120807648, 1.10268676280975, 0.0651179328560829, 1.0, 1.0, 0.0, 1.62162148952484 1.62162148952484, 0.840018510818481, -0.00963875185698271, 0.0, 0.0, 1.81219387054443 1.81219387054443, -0.0312455501407385, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 58.0, 171.0, 0.292522490024567 0.292522490024567, 0.0, 0.0, 0.0, 0.0, 0.36137717962265 0.36137717962265, 0.0, 0.142857149243355, 0.0, 11.0769233703613, 0.0, 0.0, 0.321113467216492 0.321113467216492, 0.0, 5.671875, 0.0, 0.0, 0.0, 0.0, 4.15224933624268, 0.0833333358168602, 0.0, 1.0, 0.0, 0.117851130664349, 7.37196969985962, 0.0277777779847383, 3.99487996101379, 0.0252291187644005, , 0.965489387512207, 0.207276418805122, 0.0, 2.43099689483643, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.42805981636047, 0.0, 0.0, 0.0, 0.93787944316864, 1.0, 0.0, 0.0, 0.553022265434265, 0.0, 0.0, 0.0, 0.0, 0.230938643217087, 0.0, 65.3399963378906, 0.0, 0.132687419652939, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 15.2689142227173, 0.0, 0.0, 14.4948320388794, 0.0, 0.0, 280.0, 0.0, 612.173522949219, 1.0, 0.0, 18.7955665588379, 1.50854408740997, 660.262329101562, 0.0, 0.0, 15.4948320388794, 0.0, 0.0, 0.0, 0.0, 0.57235711812973, 806.160461425781, 13.4948320388794, 4.70043992996216, 14.0, 704.952209472656, 0.0, 469.040008544922, 0.0, 523.081359863281, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 9.68179798126221, 0.0, 0.0, 0.444444447755814, 6.21954536437988, 0.0, 1.0, 0.0, 0.816496610641479, 0.0, 5.30497550964355, 0.0, 0.0, 4.25141477584839, 0.0, 3.46798777580261, 0.0, 6.74402570724487, 0.0, 0.0, 2.83077645301819, 4.0, 0.0, 0.310905694961548, 0.0, 0.0, 0.0, 0.0, -0.204846158623695, 0.0, 2.06282901763916, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC8H10%2Fc1-7-4-3-5-8%282%296-7%2Fh3-6H%2C1-2H3, 0.0, 0.741581618785858 0.741581618785858, 0.451184451580048, 0.0, 0.0, 0.0, 0.0, 1.09341299533844 1.09341299533844, 0.0, 0.0, 0.0, 0.0, 1.02022004127502 1.02022004127502, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 36.0, 54.0, 0.359116762876511 0.359116762876511, 0.0, 0.0, 0.0, 0.0, 0.470227867364883 0.470227867364883, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.36655980348587 0.36655980348587, 0.0, 2.51999998092651, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.0833333358168602, 0.0, 0.0, 0.0, 0.16666667163372, 5.30940103530884, 0.0277777779847383, 2.82136726379395, 0.0555555559694767, , 0.5, 0.333333343267441, 0.0, 2.15815496444702, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.17357528209686, 0.0, 0.0, 0.0, 0.807015538215637, 2.0, 0.0, 0.0, 0.359116762876511, 0.0, 0.0, 0.0, 0.0, 0.159223631024361, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 2.0, 0.0, 8.0, 0.0, 0.0, 61.0, 0.25, 394.688110351562, 0.0, 0.0, 10.0, 3.03934264183044, 416.343292236328, 0.0, 0.0, 7.0, 0.0, 0.0, 0.0, 0.0, 2.30940103530884, 495.549713134766, 3.0, 4.0, 7.0, 335.475036621094, 0.0, 268.0, 0.0, 118.412696838379, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 5.98312759399414, 0.0, 0.0, 0.25, 3.78769373893738, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 3.37694931030273, 0.0, 0.0, 3.53277564048767, 0.0, 2.19858479499817, 0.0, 5.11154460906982, 0.0, 0.0, 1.73736357688904, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.971404492855072, 0.0, 0.0, 0.0
-InChI%3D1S%2F2C3H7NS2.Zn%2Fc2%2A1-4%282%293%285%296%3B%2Fh2%2A1-2H3%2C%28H%2C5%2C6%29%3B%2Fq%3B%3B%2B2%2Fp-2, 0.0, 2.66666674613953 2.66666674613953, , 0.0908485352993011, 0.0, 0.0, 0.0, 0.0 0.0, , -0.0233380682766438, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 2.0, 0.0, 0.0, 44.0, -1474836480.0, 2.19689416885376 2.19689416885376, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 18.7199993133545, 0.0, 0.0, 0.0 0.0, 9.99999971718069e-10, 10.0833330154419, 0.0, 0.0, 0.0, 0.0, 18.75, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, , 9.99999971718069e-10, 1.0327535867691, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.585540056228638, 0.0, , 4.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 70.6600036621094, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 66.8763885498047, 0.0, 0.0, 17.6762523651123, 0.0, 0.0, 48000000000.0, 4.76220293421648e-06, 812.826721191406, 2.0, 0.0, 32.7093620300293, 0.0, 772.231628417969, 0.0, 0.0, 21.3582820892334, 0.0, 0.0, 0.0, 0.0, 0.000178885442437604, 771.881774902344, 0.0, 4.70043992996216, 8.0, 405.362121582031, 0.0, 328.070007324219, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.999000012874603, , 0.0, 0.0, 0.0, 1.33333337306976, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.666666686534882, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.177577093243599, 0.0, 0.0, 0.0, 0.0, -0.156299009919167, 2.0, , 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H28N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-15%282%2914-16%2Fh3-13H2%2C1-2H3, 0.0, 0.492799282073975 0.492799282073975, 0.915403425693512, 0.0339780114591122, 11.0, 0.0, 0.0, 0.348461717367172 0.348461717367172, 0.584787964820862, -0.0256960652768612, 0.0, 0.0, 0.246399641036987 0.246399641036987, -0.00233474373817444, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 60.0, 319.0, 0.157735019922256 0.157735019922256, 0.0, 0.0, 0.0, 0.0, 0.111535504460335 0.111535504460335, 0.0, 0.0, 0.0, 16.0, 0.0, 0.0, 0.0788675099611282 0.0788675099611282, 0.0, 13.0666666030884, 0.0, 0.0, 0.0, 0.0, 13.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.080849647522, 0.0, 6.85312223434448, 0.0, , 0.0, 0.141421362757683, 0.0, 4.6448860168457, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.97465872764587, 0.0, 0.0, 0.0, 1.8688896894455, 2.0, 0.0, 0.0, 1.19650459289551, 0.0, 0.0, 0.0, 0.0, 0.757668137550354, 0.0, 32.6699981689453, 0.0, 0.473252266645432, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.4944458007812, 0.0, 0.0, 16.2458248138428, 0.0, 0.0, 656.0, 0.0769230797886848, 732.109069824219, 0.0, 0.0, 16.0520210266113, 4.00271654129028, 717.381164550781, 0.0, 0.0, 14.9965543746948, 0.0, 0.0, 0.0, 0.0, 0.0, 705.705749511719, 12.6644620895386, 5.0, 14.0, 646.311584472656, 0.0, 1609.03002929688, 0.0, 574.810729980469, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 10.0, 0.0, 12.0626316070557, 0.0, 0.0, 0.5, 7.80806064605713, 0.0, 0.0, 0.0, 0.288675129413605, 1.0, 5.48407554626465, 0.0, 0.0, 17.1586456298828, 0.0, 3.74740028381348, 0.0, 0.0, 0.0, 0.0, 2.18436026573181, 0.0, 0.0, 0.0618683211505413, 0.0, 0.0, 0.0, 1.0, -0.0366798937320709, 1.0, 1.41957592964172, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2, 0.0, 0.0 0.0, 0.0, -0.0208298843353987, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, -0.00327045749872923, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 10.0, 14.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 1.0, 0.0, 2.23167061805725, 0.0, 0.920530200004578, 0.0, , 0.0, 0.0, 0.0, 0.333223581314087, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0912870913743973, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 23.7900009155273, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.35998821258545, 0.0, 0.0, 3.16618514060974, 0.0, 0.0, 10.0, 0.0, 80.1797943115234, 0.0, 0.0, 2.16618514060974, 1.41421353816986, 62.993824005127, 0.0, 0.0, 1.16618525981903, 0.0, 1.0, 0.0, 0.0, 0.0, 38.3469696044922, 0.0, 3.0, 1.0, 15.285120010376, 0.0, 24.0100002288818, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 3.41421365737915, 0.0, 0.0, 0.333333343267441, 1.91421353816986, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.097551591694355, 0.0, 0.0, 0.0, 0.0, -0.0246754568070173, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H5N5O3%2Fc1-6%285-8%292%283%294-7%289%2910%2Fh1H3%2C%28H2%2C3%2C4%29, 0.0, 1.41222512722015 1.41222512722015, 0.19245009124279, 0.103301033377647, 0.0, 0.0, 0.0, 1.54151904582977 1.54151904582977, 0.0, -0.145895257592201, 0.0, 0.0, 1.48079812526703 1.48079812526703, 0.080022431910038, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 40.0, 81.0, 0.265360414981842 0.265360414981842, 0.0, 0.721124768257141, 0.0, 0.0, 0.147634759545326 0.147634759545326, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0991049334406853 0.0991049334406853, 0.333333343267441, 4.76033067703247, 0.0, 0.0, 0.0, 0.0, 4.48000001907349, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0663857460022, 0.0, 2.14214968681335, 0.0, , 0.0, 0.193169504404068, 0.0, 1.32277643680573, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.643270075321198, 0.0, 0.025000000372529, 0.0, 0.199653878808022, 1.0, 0.0, 0.0, 0.0682109594345093, 0.0, 0.0, 0.0, 0.0, 0.00745355989784002, 0.0, 114.370002746582, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.816496610641479, 14.1233472824097, 0.0, 0.0, 12.0451154708862, 0.0, 0.0, 130.0, 0.0, 273.602447509766, 1.0, 0.0, 15.0133867263794, 0.0, 281.453369140625, 0.0, 0.0, 13.1006908416748, 0.0, 0.0, 0.0, 0.0, 0.5, 319.592895507812, 11.8469696044922, 4.32192802429199, 10.0, 262.471405029297, 0.0, 106.080001831055, 0.0, 163.687026977539, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 2.37841415405273, 0.0, 0.0, 8.14626407623291, 0.0, 0.0, 0.5, 4.57458591461182, 0.0, 1.0, 0.0, 0.879652798175812, 1.0, 3.99236512184143, 0.0, 0.0, 0.0, 0.0, 2.45854473114014, 0.16666667163372, 0.0, 0.0, 0.0, 1.37824678421021, 0.0, 0.0, 0.157858401536942, 0.0, 0.0, 0.0, 3.0, -0.0916610360145569, 1.0, 0.560840666294098, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12N2OS2%2Fc1-4-8%287-9%295%282%2911-6%283%2910-4%2Fh4-6H%2C1-3H3, , 1.81169605255127 1.81169605255127, 0.993793487548828, 0.0874128341674805, 0.0, 0.0, 0.0, 3.20645904541016 3.20645904541016, 0.157134845852852, -0.0600733235478401, , 0.0, 3.24168944358826 3.24168944358826, 0.0164319053292274, , 0.0, 1.0, 0.0, 0.0, 0.0, 52.0, 91.0, 2.33698868751526 2.33698868751526, , 0.0, 0.0, 0.0, 4.39554738998413 4.39554738998413, 0.0, 0.0, 2.0, 9.09090900421143, 0.0, 0.0, 4.83120584487915 4.83120584487915, 0.0, 3.59999990463257, 0.0, 0.0, 0.0, 0.0, 1.9753086566925, 0.0555555559694767, 0.0, 0.0, 0.0, 0.205950379371643, 8.48421573638916, 0.129099443554878, 5.45944976806641, 0.445033371448517, , 1.5, 1.56514763832092, 0.0, 6.12146329879761, 0.0, 0.0, , 0.0, , 0.0, 4.26949596405029, 0.0, 0.163299322128296, , 4.23922872543335, 3.0, 0.0, 0.0, 2.20354986190796, , , , 0.0, 1.53787672519684, , 83.2699966430664, 0.0, 0.162610501050949, , 0.0, 0.0, 0.0, , 0.0, 24.7499504089355, 0.0, , 18.9249649047852, 0.0, , 146.0, 0.75, 931.032897949219, 0.0, 0.0, 33.2520294189453, 0.0, 1045.99731445312, 0.0, 0.0, 23.7292385101318, 0.0, 0.0, 0.0, , 4.32674884796143, 1350.36865234375, 20.4489231109619, 4.45943164825439, 15.0, 1178.23229980469, 0.0, 419.049987792969, 0.0, 626.098388671875, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 6.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 8.43072128295898, , , 0.5, 5.14706563949585, 0.0, 0.0, 0.0, 0.896162390708923, 1.0, 4.60324668884277, 3.0, 0.0, 0.0, , 3.48151588439941, 0.19245009124279, 0.0, 0.0, , 3.08074188232422, 0.0, 0.0, 0.105320245027542, 0.0, 0.0, 0.0, 1.0, -0.0814521536231041, 1.0, 1.3610360622406, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H15N3O2%2Fc1-13%2812-15%297-3-5-10%2814%299-4-2-6-11-8-9%2Fh2%2C4%2C6%2C8%2C10%2C14H%2C3%2C5%2C7H2%2C1H3, 0.0, 1.513019323349 1.513019323349, 1.13496792316437, 0.033572468906641, 3.0, 0.0, 0.0, 1.67341959476471 1.67341959476471, 0.731604814529419, -0.062670610845089, 0.0, 0.0, 1.74270904064178 1.74270904064178, 0.0167278330773115, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 66.0, 231.0, 0.537357211112976 0.537357211112976, 0.0, 0.142857149243355, 0.0, 0.0, 0.529394805431366 0.529394805431366, 0.0, 0.0, 0.0, 13.0666666030884, 0.0, 0.0, 0.471258908510208 0.471258908510208, 0.0, 7.30246925354004, 0.0, 0.0, 0.0, 0.0, 5.03999996185303, 0.102062076330185, 0.0, 1.0, 0.0, 0.0589255653321743, 8.70517444610596, 0.0248451996594667, 4.86155271530151, 0.0143443830311298, , 1.0, 0.328933507204056, 0.0, 3.4072904586792, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.16785454750061, 0.0, 0.0304290316998959, 0.0, 1.29403209686279, 1.0, 0.0, 0.0, 0.763243794441223, 0.0, 0.0, 0.0, 0.0, 0.390224277973175, 0.0, 65.7900009155273, 0.0, 0.211878970265388, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.6289024353027, 1.0, 0.0, 16.9102878570557, 0.0, 0.0, 434.0, 0.0, 709.075988769531, 0.0, 0.0, 20.0485763549805, 1.38399720191956, 761.583435058594, 0.0, 0.0, 19.3252010345459, 0.0, 0.0, 0.0, 0.0, 0.365148365497589, 903.098937988281, 15.0482978820801, 4.90689039230347, 17.0, 817.435668945312, 0.0, 690.049987792969, 0.0, 620.254272460938, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.125, 0.0, 0.0, 0.755928933620453, 5.0, 0.0, 11.0960121154785, 0.0, 0.0, 0.5, 7.23638200759888, 0.0, 0.0, 0.0, 0.6910440325737, 1.0, 5.81969785690308, 1.0, 0.0, 7.29830408096313, 0.0, 4.50788068771362, 0.117851130664349, 6.55071020126343, 1.0, 0.0, 2.93131685256958, 4.0, 0.0, 0.203396216034889, 0.0, 0.0, 0.0, 1.0, -0.0900159850716591, 1.0, 2.04615592956543, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H7N3O4S%2Fc1-5%2813%2910-9-11-6%284-17-9%297-2-3-8%2816-7%2912%2814%2915%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C13%29, 0.0, 2.53411293029785 2.53411293029785, 2.2708842754364, 0.0506628677248955, 0.0, 0.0, 0.0, 3.46912670135498 3.46912670135498, 1.42817711830139, 0.0501368045806885, 0.0, 0.0, 3.8432080745697 3.8432080745697, -0.079084500670433, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 86.0, 270.0, 0.678539156913757 0.678539156913757, 0.0, 0.512992799282074, 0.0, 0.0, 0.961624503135681 0.961624503135681, 0.0, 0.75394743680954, 0.0, 13.4320983886719, 0.0, 0.0, 0.836791634559631 0.836791634559631, 0.0, 5.76000022888184, 0.235702261328697, 0.0, 0.0, 0.0, 3.48444437980652, 0.287457466125488, 0.113077633082867, 1.0, 0.0, 0.464041620492935, 9.4703950881958, 0.107108667492867, 5.38387537002563, 0.111772589385509, , 3.38654565811157, 0.435922205448151, 0.0, 3.9058837890625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.50821900367737, 0.0, 0.0239986199885607, 0.0, 1.85244131088257, 1.0, 0.0, 0.0, 0.960562527179718, 0.0, 0.0, 0.0, 0.0, 0.578781843185425, 0.0, 132.679992675781, 0.0, 0.337810784578323, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.3055934906006, 0.0, 0.0, 24.2737045288086, 0.0, 0.0, 564.0, 0.0, 964.811218261719, 1.0, 0.0, 35.7953948974609, 0.458566069602966, 1113.06127929688, 0.0, 0.0, 27.7674541473389, 0.0, 0.0, 0.0, 0.0, 1.34123075008392, 1510.98107910156, 31.497220993042, 5.08746290206909, 20.0, 1160.01904296875, 0.0, 353.079986572266, 0.0, 1108.84631347656, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.338061690330505, 4.0, 0.0, 12.4138488769531, 0.0, 0.0, 0.5, 8.05855083465576, 0.0, 0.0, 0.0, 1.44570577144623, 1.0, 7.64593553543091, 0.0, 0.0, 1.31037068367004, 0.0, 5.50974941253662, 0.25, 5.87101554870605, 1.0, 0.0, 4.50890254974365, 3.0, 0.0, 0.487411707639694, 0.0, 0.0, 1.0, 2.0, -0.289541035890579, 0.0, 2.92683410644531, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H8N2O%2Fc1-3-4-5%282%296%2Fh3H2%2C1-2H3, 0.0, , , -0.0542654879391193, 1.0, 0.0, 0.0, , , 0.00556299369782209, 0.0, 0.0, , 0.00158793828450143, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 31.0, , 0.0, 0.0, 0.0, , , , 0.0, 0.0, 6.0, , 0.0, , 0.0, 3.20000004768372, , 0.0, 0.0, , 5.33333349227905, , , 0.0, 0.0, , , , , , , 0.0, , 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, , 0.0, , 2.0, , 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 41.1100006103516, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.49444532394409, 0.0, 0.0, 6.24582433700562, 0.0, 0.0, 32.0, 0.25, , 0.0, 0.0, 6.38411378860474, 1.15470051765442, , 0.0, 0.0, 3.49827718734741, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.33209204673767, 3.58496260643005, 3.0, , 0.0, 139.029998779297, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.5, , 0.0, 0.0, 0.0, , 1.0, , 0.0, , 0.0, 0.0, , , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.11819539219141, , 0.0, 0.0, 1.0, -0.0119831403717399, 0.0, , 0.0, 0.0, 0.0
-InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H, , 3.64273452758789 3.64273452758789, 0.829344630241394, -0.170084491372108, 0.0, , , 4.97606754302979 4.97606754302979, 0.222222223877907, -0.0847692787647247, , , 7.01965713500977 7.01965713500977, -4.79899244965054e-06, , 0.0, 0.25, , , , 60.0, 102.0, 2.30384564399719 2.30384564399719, , 0.0, , 0.0, 2.87501883506775 2.87501883506775, 0.0, 0.0, , 10.0833330154419, 0.0, , 3.63859963417053 3.63859963417053, 0.0, 3.3950617313385, 0.0, 0.0, , 0.0, 1.5625, 0.0370370373129845, 0.0, , 0.0, 0.222222223877907, 9.11668109893799, 0.015625, 4.55834054946899, 0.0955731347203255, , 9.12546539306641, 0.764585077762604, 0.0, 3.80834031105042, 0.0, 0.0, , 0.0, , 0.0, 3.44343066215515, 0.0, 0.384815126657486, , 1.72171533107758, 0.0, 0.0, , 0.860857665538788, , , , 0.0, 0.383553832769394, , 20.2299995422363, 0.0, 0.0962037816643715, , 0.0, 0.0, 0.0, , 0.0, 51.3382377624512, 0.0, , 22.0907783508301, 0.0, , 174.0, 0.0, 991.575927734375, 0.0, 0.0, 38.1815567016602, 0.0, 1146.26867675781, 0.0, 0.0, 77.8965454101562, 0.0, , , , 0.0, 1599.27185058594, 58.8057632446289, 4.58496236801147, 21.0, 1551.85754394531, , 37.060001373291, 0.0, 752.326538085938, 6.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 9.46410179138184, , , 0.200000002980232, 5.46410179138184, 0.0, , , 1.15470051765442, , 5.154700756073, 0.0, 0.0, 0.0, , 4.97606754302979, 0.666666686534882, 0.0, , , 2.87293410301208, 0.0, , 0.343975722789764, 0.0, 0.0, , , -0.00172899139579386, , 1.65868926048279, , , 0.0
-InChI%3D1S%2FC10H13N5O3S%2Fc11-10-13-8-7%289%2819%2914-10%2912-3-15%288%296-1-4%2817%295%282-16%2918-6%2Fh3-6%2C16-17H%2C1-2H2%2C%28H3%2C11%2C13%2C14%2C19%29%2Ft4-%2C5%3F%2C6%2B%2Fm0%2Fs1, 0.0, 3.59046268463135 3.59046268463135, 3.52473711967468, 0.119103193283081, 2.0, 1.0, 0.0, 6.02878427505493 6.02878427505493, 2.28035736083984, -0.21305239200592, 0.0, 0.0, 7.78564262390137 7.78564262390137, 0.263420313596725, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 104.0, 292.0, 1.46010899543762 1.46010899543762, 0.0, 0.25, 0.0, 0.0, 1.99121499061584 1.99121499061584, 0.0, 0.666666686534882, 0.0, 13.9591836929321, 0.0, 0.0, 2.13348245620728 2.13348245620728, 0.0, 5.41311120986938, 0.19245009124279, 0.0, 0.0, 0.0, 2.49215793609619, 0.454530030488968, 0.0844230726361275, 2.0, 0.0, 0.808083415031433, 10.8397083282471, 0.154783397912979, 6.42766666412354, 0.222736716270447, , 7.26615476608276, 0.727306067943573, 0.0, 5.0637674331665, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.67353582382202, 0.0, 0.128314524888992, 0.0, 2.65042018890381, 0.0, 0.0, 0.0, 1.56382727622986, 0.0, 0.0, 0.0, 0.0, 0.982081174850464, 0.0, 154.220001220703, 0.0, 0.529296457767487, 0.0, 1.10520946979523, 0.0, 0.0, 0.0, 0.25, 29.2511005401611, 0.0, 0.0, 25.660005569458, 0.0, 0.0, 671.0, 0.0, 1259.44665527344, 1.0, 0.0, 40.1263198852539, 0.0, 1512.41455078125, 0.0, 0.0, 41.2104454040527, 0.0, 0.0, 0.0, 0.0, 0.0, 2206.89453125, 40.1584091186523, 5.24792766571045, 30.0, 2022.69958496094, 1.0, 954.090026855469, 0.0, 1721.22998046875, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 1.14471423625946, 0.0, 2.0, 1.19055080413818, 4.0, 0.0, 13.568549156189, 0.0, 0.0, 0.444444447755814, 9.09655570983887, 0.0, 2.0, 0.0, 1.50166130065918, 0.0, 8.49987030029297, 4.0, 0.0, 0.843432664871216, 0.0, 7.32745742797852, 0.393228679895401, 7.08457851409912, 2.0, 0.0, 6.4482626914978, 1.0, 1.0, 0.653517544269562, 0.0, 0.0, 0.0, 0.0, -0.380833715200424, 0.0, 4.59021759033203, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H7N3O%2Fc1-9%288-10%296-4-2-3-5-7-6%2Fh2-5H%2C1H3, 0.0, 1.08925569057465 1.08925569057465, 0.569035589694977, 0.0687755942344666, 0.0, 0.0, 0.0, 1.33925569057465 1.33925569057465, 0.319035589694977, -0.0674891173839569, 0.0, 0.0, 1.37377345561981 1.37377345561981, 0.0335234068334103, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 44.0, 90.0, 0.293502807617188 0.293502807617188, 0.0, 0.0, 0.0, 0.0, 0.26573771238327 0.26573771238327, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.210975825786591 0.210975825786591, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 2.28571438789368, 0.102062076330185, 0.0, 0.0, 0.0, 0.0589255653321743, 5.55928993225098, 0.0248451996594667, 2.82387542724609, 0.0111111113801599, , 0.0, 0.157735019922256, 0.0, 1.79319286346436, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.1033102273941, 0.0, 0.0258198883384466, 0.0, 0.586996495723724, 1.0, 0.0, 0.0, 0.327829211950302, 0.0, 0.0, 0.0, 0.0, 0.0999727174639702, 0.0, 45.560001373291, 0.0, 0.0402100346982479, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.8544330596924, 0.0, 0.0, 11.5781946182251, 0.0, 0.0, 121.0, 0.0, 412.525329589844, 0.0, 0.0, 13.7443799972534, 1.01626551151276, 443.564331054688, 0.0, 0.0, 12.8550987243652, 0.0, 0.0, 0.0, 0.0, 0.5, 529.376586914062, 8.38411331176758, 4.32192802429199, 11.0, 435.026336669922, 0.0, 199.039993286133, 0.0, 233.989822387695, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 1.41421353816986, 3.0, 0.0, 7.39734125137329, 0.0, 0.0, 0.5, 4.8425350189209, 0.0, 0.0, 0.0, 0.402368932962418, 1.0, 3.78362226486206, 0.0, 0.0, 3.96540641784668, 0.0, 3.09851837158203, 0.117851130664349, 2.14913988113403, 1.0, 0.0, 2.03653573989868, 4.0, 0.0, 0.122604943811893, 0.0, 0.0, 0.0, 1.0, -0.0842245668172836, 1.0, 1.41711032390594, 0.0, 0.0, 0.0
-InChI%3D1S%2FC19H30O5%2Fc1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18%2823-15-24-19%2912-16%2817%296-4-2%2Fh12-13H%2C3-11%2C14-15H2%2C1-2H3, 0.0, 1.79911375045776 1.79911375045776, 3.17443227767944, -0.0886074230074883, 11.0, 5.0, 0.0, 2.95090103149414 2.95090103149414, 2.29109382629395, 0.368712812662125, 0.0, 0.0, 3.88759779930115 3.88759779930115, -0.262058645486832, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 110.0, 644.0, 0.736499011516571 0.736499011516571, 0.0, 0.0, 0.0, 0.0, 1.02304577827454 1.02304577827454, 0.0, 0.0, 0.0, 20.3136005401611, 0.0, 0.0, 1.18211340904236 1.18211340904236, 0.0, 12.3688888549805, 0.117851130664349, 0.0, 0.0, 0.0, 7.42439746856689, 0.222222223877907, 0.0294627826660872, 0.0, 0.0, 0.312285453081131, 14.9741163253784, 0.0548540242016315, 8.99367046356201, 0.0733043998479843, , 3.30192732810974, 0.321975260972977, 0.0, 5.85506391525269, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.85796165466309, 0.0, 0.0555555559694767, 0.0, 2.53094530105591, 2.0, 0.0, 0.0, 1.64000129699707, 0.0, 0.0, 0.0, 0.0, 0.97466778755188, 0.0, 46.1500015258789, 0.0, 0.5744309425354, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.8723449707031, 2.0, 0.0, 28.3209190368652, 1.78301441669464, 0.0, 1767.0, 0.0625, 1229.59497070312, 0.0, 0.0, 34.0953903198242, 3.93795084953308, 1352.02099609375, 0.0, 0.0, 32.8735809326172, 0.0, 0.0, 0.0, 0.0, 1.04504311084747, 1695.08544921875, 30.9851036071777, 5.58496236801147, 29.0, 1634.99267578125, 0.0, 2473.05004882812, 0.0, 1428.64172363281, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 17.0373229980469, 0.0, 0.0, 0.5, 11.846866607666, 0.0, 0.0, 0.0, 0.666666686534882, 0.0, 9.20195770263672, 0.0, 0.0, 14.9108333587646, 0.0, 7.28209543228149, 0.16666667163372, 11.9529457092285, 0.0, 0.0, 5.86873388290405, 2.0, 0.0, 0.876128256320953, 0.0, 0.0, 0.0, 0.0, -0.528389751911163, 0.0, 4.37867212295532, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H8N2O2%2Fc7-4-1-2-6%283-4%295-8%2Fh4%2C7H%2C1-3H2, , 0.837103664875031 0.837103664875031, 0.284517794847488, -0.00952873099595308, 3.0, 0.0, 0.0, 1.10144436359406 1.10144436359406, 0.0, -0.0157069284468889, , 0.0, 0.819035589694977 0.819035589694977, -0.0360031388700008, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 36.0, 59.0, 0.318292647600174 0.318292647600174, 0.0, 0.200000002980232, 0.0, 0.0, 0.349026501178741 0.349026501178741, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.14570227265358 0.14570227265358, 0.0, 2.51999998092651, 0.117851130664349, 0.0, 0.0, 0.0, 1.48760330677032, 0.201184466481209, 0.0912870913743973, 1.0, 0.0, 0.16666667163372, 4.44855976104736, 0.0816496610641479, 2.58972525596619, 0.0349240861833096, , 0.0, 0.229099437594414, 0.0, 1.93677878379822, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.2574051618576, 0.0, 0.0, , 0.798048555850983, 0.0, 0.0, 0.0, 0.251166790723801, , , , 0.0, 0.0438742600381374, 0.0, 52.9000015258789, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 10.2689142227173, 0.0, 0.0, 9.57791614532471, 0.0, , 63.0, 0.0, 277.965454101562, 0.0, 0.0, 11.8823909759521, 0.0, 303.031890869141, 0.0, 0.0, 7.88211250305176, 0.0, 0.0, 0.0, , 0.0, 369.900695800781, 4.21764993667603, 4.0, 6.0, 167.328231811523, 0.0, 200.039993286133, 0.0, 64.0921096801758, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 5.98312759399414, , , 0.400000005960464, 3.82569861412048, 0.0, 0.0, 0.0, 0.492799282073975, 1.0, 3.19249796867371, 1.0, 0.0, 1.88988161087036, , 2.38076686859131, 0.0, 2.38110160827637, 0.0, 0.0, 1.69574868679047, 0.0, 0.0, 0.146878257393837, 0.0, 0.0, 0.0, 1.0, -0.0410769283771515, 1.0, 0.922589004039764, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H9AsO%2Fc1-4%282%2C3%295%2Fh1-3H3, 0.0, 0.0 0.0, 0.0, 240.964004516602, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 12.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 5.7320384979248, 0.0, 7.92005348205566, 0.0, , 0.0, 5.16983985900879, 0.0, 9.81742000579834, 0.0, 0.0, 0.0, 0.948683321475983, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.0699996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 43.6856842041016, 0.0, 0.0, 27.0230941772461, 0.0, 0.0, 16.0, 1.5, 88.0734100341797, 0.0, 0.0, 6.99627590179443, 0.0, 82.1173858642578, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 86.4123382568359, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 149.020004272461, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.5, 2.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 808.001525878906, 0.0, 0.0, 0.0, 1.0, -644.964782714844, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC15H11NO2%2Fc1-9%2817%2916-10-6-7-12-11-4-2-3-5-13%2811%2915%2818%2914%2812%298-10%2Fh2-8H%2C1H3%2C%28H%2C16%2C17%29, 0.0, 2.95542764663696 2.95542764663696, 3.41338419914246, -0.000929970003198832, 0.0, 0.0, 0.0, 5.34781932830811 5.34781932830811, 2.67926692962646, -0.00964879710227251, 0.0, 0.0, 7.73912763595581 7.73912763595581, -0.0532918348908424, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 98.0, 274.0, 1.0362104177475 1.0362104177475, 0.0, 0.142857149243355, 0.0, 0.0, 1.56660902500153 1.56660902500153, 0.0, 0.0, 0.0, 13.0050001144409, 0.0, 0.0, 1.84317934513092 1.84317934513092, 0.0, 5.17479181289673, 0.0641500279307365, 0.0, 0.0, 0.0, 2.40000009536743, 0.396968424320221, 0.03125, 1.0, 0.0, 0.71921294927597, 9.8441276550293, 0.136760577559471, 5.69032859802246, 0.194826200604439, , 8.90736103057861, 0.514241755008698, 0.0, 4.26361179351807, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.00054216384888, 0.0, 0.0919627845287323, 0.0, 2.27241086959839, 1.0, 0.0, 0.0, 1.55821192264557, 0.0, 0.0, 0.0, 0.0, 0.882829666137695, 0.0, 49.6599998474121, 0.0, 0.563910663127899, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.9089260101318, 4.0, 0.0, 20.9965553283691, 0.0, 0.0, 581.0, 0.0, 1200.4599609375, 2.0, 0.0, 31.0482978820801, 1.10296475887299, 1445.34655761719, 0.0, 0.0, 30.9928302764893, 0.0, 0.0, 0.0, 0.0, 1.63417851924896, 2117.51586914062, 27.3249225616455, 5.16992521286011, 29.0, 2029.86047363281, 0.0, 655.030029296875, 0.0, 1577.84594726562, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 8.0, 0.0, 12.6983060836792, 0.0, 0.0, 0.444444447755814, 8.66470336914062, 0.0, 0.0, 0.0, 1.34915363788605, 1.0, 8.1076192855835, 0.0, 0.0, 7.31527996063232, 0.0, 6.64392232894897, 0.323801517486572, 17.4995098114014, 0.0, 0.0, 6.02679395675659, 7.0, 0.0, 0.266360938549042, 0.0, 0.0, 0.0, 1.0, -0.107495881617069, 0.0, 4.98770570755005, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H14N2O2%2Fc1-8%2812%282%2911-14%2910%2813%299-6-4-3-5-7-9%2Fh3-8%2C10%2C13H%2C1-2H3, , 2.3139021396637 2.3139021396637, 0.896182656288147, -0.0120166819542646, 0.0, 0.0, 0.0, 2.98285889625549 2.98285889625549, 0.550363481044769, 0.0197955016046762, , 0.0, 3.63384199142456 3.63384199142456, -0.0537903718650341, , 0.0, 1.0, 0.0, 0.0, 0.0, 64.0, 168.0, 0.989852368831635 0.989852368831635, 0.0, 0.200000002980232, 0.0, 0.0, 0.968090653419495 0.968090653419495, 0.0, 0.0, 0.0, 12.0714282989502, 0.0, 0.0, 0.976773977279663 0.976773977279663, 0.0, 5.77777767181396, 0.0, 0.0, 0.0, 0.0, 3.27272725105286, 0.102062076330185, 0.0, 1.0, 0.0, 0.0589255653321743, 8.29134082794189, 0.0320750139653683, 4.45622777938843, 0.0185185186564922, , 2.38110160827637, 0.435301899909973, 0.0, 3.25144290924072, 0.0, 0.0, , 0.0, 0.0, 0.0, 2.31623077392578, 0.0, 0.124845199286938, , 1.20743954181671, 2.0, 0.0, 0.0, 0.681578278541565, 0.0, , , 0.0, 0.283227741718292, 0.0, 52.9000015258789, 0.0, 0.14213827252388, , 0.0, 0.0, 0.0, , 0.0, 16.268913269043, 1.0, 0.0, 15.5779161453247, 0.0, , 311.0, 0.333333343267441, 723.63330078125, 0.0, 0.0, 19.8823909759521, 1.91445350646973, 799.903076171875, 0.0, 0.0, 21.7124824523926, 0.0, 0.0, 0.0, , 2.62074136734009, 1012.77600097656, 17.7124824523926, 4.80735492706299, 19.0, 967.39306640625, 0.0, 602.039978027344, 0.0, 710.018310546875, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 1.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 7.0, 0.0, 10.5520420074463, , , 0.5, 6.66390228271484, 0.0, 0.0, 0.0, 0.787269115447998, 1.0, 5.50185585021973, 2.0, 0.0, 6.08364343643188, , 4.76426362991333, 0.343418926000595, 5.88526725769043, 0.0, 0.0, 2.97924709320068, 5.0, 0.0, 0.143476977944374, 0.0, 0.0, 0.0, 1.0, -0.0505203567445278, 1.0, 1.93728148937225, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H4F3N3O4S%2Fc10-9%2811%2C12%297%2816%2914-8-13-4%283-20-8%295-1-2-6%2819-5%2915%2817%2918%2Fh1-3H%2C%28H%2C13%2C14%2C16%29, 0.0, 4.50703191757202 4.50703191757202, 2.4961793422699, -0.133136212825775, 0.0, 0.0, 0.0, 4.44344043731689 4.44344043731689, 1.60859644412994, 0.298081129789352, 0.0, 0.0, 5.24973821640015 5.24973821640015, -0.279452115297318, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 1.0, 104.0, 353.0, 0.806065320968628 0.806065320968628, 0.0, 0.512992799282074, 0.0, 0.0, 0.953585743904114 0.953585743904114, 0.0, 0.75394743680954, 0.0, 16.3718814849854, 0.0, 0.0, 0.902746856212616 0.902746856212616, 0.0, 6.40582704544067, 0.235702261328697, 0.0, 0.0, 0.0, 4.25, 0.287457466125488, 0.113077633082867, 1.0, 0.0, 0.464041620492935, 10.1042881011963, 0.107108667492867, 5.70082187652588, 0.111772589385509, , 3.38654565811157, 0.520062506198883, 0.0, 4.18003606796265, 0.0, 1.34123075008392, 0.0, 0.0134987309575081, 0.0, 0.0, 2.70586347579956, 0.0, 0.0454271920025349, 0.0, 1.82236266136169, 0.0, 0.00269974628463387, 0.0, 1.01451373100281, 0.0, 0.0, 0.0, 0.0, 0.604545474052429, 0.0, 132.679992675781, 0.0, 0.34177154302597, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 34.8117256164551, 0.0, 0.0, 29.0190601348877, 0.0, 0.0, 894.0, 0.0, 990.612731933594, 1.0, 0.0, 48.0468826293945, 0.0, 1159.65246582031, 1.0, 0.0, 39.6226654052734, 0.0, 0.0, 0.0, 0.0, 0.0, 1606.17761230469, 36.2425765991211, 5.32192802429199, 26.0, 1282.30590820312, 0.0, 245.110000610352, 0.0, 1200.443359375, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.338061690330505, 4.0, 0.0, 14.9138488769531, 0.0, 0.0, 0.454545468091965, 9.26987552642822, 0.0, 0.0, 0.0, 2.60760712623596, 1.0, 9.51916122436523, 0.0, 0.288675129413605, 1.31037068367004, 0.0, 6.87029600143433, 0.86237245798111, 5.87101554870605, 1.0, 0.0, 4.6957893371582, 3.0, 0.0, 0.809455096721649, 0.20412415266037, 0.458566069602966, 1.0, 2.0, -0.431308269500732, 0.0, 3.31979608535767, 0.0, 3.0, 0.0
-InChI%3D1S%2FC23H31NO2.ClH%2Fc1-6-22%2826-19%283%2925%2923%2817-18%282%2924%284%295%2C20-13-9-7-10-14-20%2921-15-11-8-12-16-21%3B%2Fh7-16%2C18%2C22H%2C6%2C17H2%2C1-5H3%3B1H%2Ft18-%2C22-%3B%2Fm0.%2Fs1, 0.0, 4.4484715461731 4.4484715461731, 3.75096321105957, 0.0500005595386028, 2.0, 1.0, 0.0, 7.1388635635376 7.1388635635376, 2.57867336273193, -0.00401347875595093, 0.0, 0.0, 11.5645866394043 11.5645866394043, -0.0454943031072617, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 128.0, -1834574848.0, 2.78597950935364 2.78597950935364, 0.0, 0.0, 0.0, 0.0, 3.80039072036743 3.80039072036743, 0.0, 0.5, 0.0, 25.037036895752, 0.0, 0.0, 5.31056833267212 5.31056833267212, 0.0, 11.8699779510498, 0.0, 1.0, 0.0, 0.0, 6.23740100860596, 0.20412415266037, 0.0, 0.0, 0.0, 0.102062076330185, 17.8308715820312, 0.0641500279307365, 9.36112594604492, 0.0320750139653683, , 3.51675915718079, 1.13878762722015, 0.0, 7.22648334503174, 0.0, 3.49413561820984, 0.0, 0.0510310381650925, 0.0, 0.0, 5.30542707443237, 0.0, 0.437412559986115, 0.0, 3.75798892974854, 5.0, 0.0487520806491375, 0.0, 2.87208461761475, 0.0, 0.0, 0.0, 0.0, 1.61739206314087, 0.0, 29.5400009155273, 0.0, 0.896752774715424, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 36.6216812133789, 2.0, 0.0, 28.4948310852051, 0.0, 0.0, 26000001024.0, 1.96161246299744, 2048.3642578125, 1.0, 0.0, 39.4352073669434, 10.4634714126587, 2404.97509765625, 1.0, 0.0, 44.8266448974609, 0.0, 0.0, 0.0, 0.0, 6.55764675140381, 3439.95874023438, 53.8232002258301, 5.75488758087158, 43.0, 4062.88598632812, 0.0, 2779.0400390625, 1.40244388580322, 4307.9072265625, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.0, 0.0, 19.1564903259277, 0.0, 0.0, 0.999000012874603, 12.4127569198608, 0.0, 0.0, 0.0, 1.86007499694824, 0.0, 10.9423856735229, 2.0, 0.0680413842201233, 18.9434337615967, 0.0, 8.55290412902832, 0.733593225479126, 17.9223556518555, 0.0, 0.0, 6.90863037109375, 10.0, 0.0, 0.359086334705353, 0.102062076330185, 4.94730091094971, 0.0, 1.0, -0.217395901679993, 1.0, 6.07832908630371, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H6FN3O2%2Fc4-1-2-7%286-9%293%285%298%2Fh1-2H2%2C%28H2%2C5%2C8%29, , 1.08925569057465 1.08925569057465, 0.0, 0.0543853454291821, 2.0, 0.0, 0.0, 1.20710682868958 1.20710682868958, 0.0, -0.0157875139266253, , 0.0, 0.804737865924835 0.804737865924835, -0.126832947134972, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 63.0, 0.203561648726463 0.203561648726463, 0.0, 0.25, 0.0, 0.0, 0.148143723607063 0.148143723607063, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0527002476155758 0.0527002476155758, 0.0, 4.83950614929199, 0.0, 0.0, 0.0, 0.0, 3.55555558204651, 0.0, 0.0, 1.0, 0.0, 0.0, 4.54206705093384, 0.0, 2.16327667236328, 0.0, , 0.0, 0.120710678398609, 0.0, 1.21738076210022, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.639367640018463, 0.0, 0.0158113874495029, , 0.26545050740242, 0.0, 0.0, 0.0, 0.0554574131965637, 0.0, 0.0, , 0.0, 0.0, 0.0, 76.75, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 13.1309461593628, 0.0, 0.0, 10.3258867263794, 0.0, , 96.0, 0.0, 241.743118286133, 1.0, 0.0, 12.1007270812988, 0.0, 245.457412719727, 0.0, 0.0, 12.0867547988892, 0.0, 0.0, 0.0, , 0.0, 265.988586425781, 10.5847434997559, 4.16992521286011, 9.0, 222.952270507812, 0.0, 124.059997558594, 0.0, 127.536903381348, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, , , 2.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 7.27602100372314, , , 0.400000005960464, 4.21874380111694, 0.0, 0.0, 0.0, 0.5, 1.0, 3.20102000236511, 0.0, 0.0, 1.0, 0.0, 2.12665247917175, 0.16666667163372, 0.816496610641479, 0.0, 0.0, 1.37965285778046, 0.0, 0.0, 0.266876935958862, 0.0, 0.0, 0.0, 1.0, -0.13503660261631, 1.0, 0.537457466125488, 0.0, 1.0, 0.0
-InChI%3D1S%2FC2H3F%2Fc1-2-3%2Fh2H%2C1H2, 0.0, 0.0 0.0, 0.0, -0.00705485558137298, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 6.0, 6.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.66242146492004, 0.0, 0.626466155052185, 0.0, , 0.0, 0.0, 0.0, 0.154303357005119, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.50204420089722, 0.0, 0.0, 2.58178520202637, 0.0, 0.0, 4.0, 0.0, 36.8776245117188, 0.0, 0.0, 1.58178508281708, 1.0, 25.1212348937988, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.5563592910767, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 19.0100002288818, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 0.0, 0.0, 0.5, 1.41421353816986, 1.0, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0702685862779617, 0.0, 0.0, 0.0, 0.0, -0.0280794370919466, 0.0, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC17H19N3O3S%2Fc1-10-8-18-15%2811%282%2916%2810%2923-4%299-24%2821%2917-19-13-6-5-12%2822-3%297-14%2813%2920-17%2Fh5-8H%2C9H2%2C1-4H3%2C%28H%2C19%2C20%29, 0.0, 4.33941173553467 4.33941173553467, 3.82479858398438, -0.0552581325173378, 1.0, 2.0, 0.0, 6.55996513366699 6.55996513366699, 2.61286687850952, -0.0315533727407455, 0.0, 0.0, 8.71617889404297 8.71617889404297, 0.103092484176159, 0.0, 0.0, 0.857142865657806, 0.0, 0.0, 0.0, 126.0, 513.0, 1.65997159481049 1.65997159481049, 0.0, 0.0, 0.0, 0.0, 2.23488616943359 2.23488616943359, 0.0, 0.308606714010239, 0.0, 18.7810649871826, 0.0, 0.0, 2.46319174766541 2.46319174766541, 0.0, 8.13148307800293, 0.0962250456213951, 0.0, 0.0, 0.0, 4.06559991836548, 0.315235257148743, 0.025000000372529, 0.0, 0.0, 0.642931520938873, 14.4500036239624, 0.0907389521598816, 8.13193035125732, 0.154704570770264, , 7.65446805953979, 0.808433890342712, 0.0, 6.15263938903809, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.46849966049194, 2.0, 0.136204749345779, 0.0, 3.15320205688477, 4.0, 0.0, 0.0, 2.00326490402222, 0.0, 0.0, 0.0, 0.0, 1.20991802215576, 0.0, 93.4100036621094, 0.0, 0.719515800476074, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 33.5311241149902, 2.0, 0.0, 34.2214508056641, 0.0909090936183929, 0.0, 1419.0, 0.855542063713074, 1749.53820800781, 0.0, 0.0, 46.4125518798828, 3.27204895019531, 2051.87377929688, 0.0, 0.0, 51.0500640869141, 0.0, 0.0, 0.0, 0.0, 6.7122049331665, 2905.24584960938, 45.5007095336914, 5.58496236801147, 39.0, 2874.70043945312, 0.0, 1384.06994628906, 0.0, 2395.35083007812, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.814325273036957, 0.0, 2.0, 0.0, 8.0, 0.0, 17.267219543457, 0.0, 0.0, 0.461538463830948, 11.5284070968628, 0.0, 0.0, 0.0, 1.67072820663452, 0.0, 10.2978897094727, 0.0, 0.0, 2.40337419509888, 0.0, 9.13009738922119, 0.472201973199844, 11.2818155288696, 3.0, 0.0, 7.33065891265869, 4.0, 0.0, 0.635148584842682, 0.0, 0.0, 0.0, 1.0, -0.306336343288422, 0.0, 5.54295110702515, 1.0, 0.0, 0.0
-InChI%3D1S%2FC2H2F4%2Fc3-1-2%284%2C5%296%2Fh1H2, 0.0, 1.06066012382507 1.06066012382507, 0.0, -0.161664739251137, 1.0, 0.0, 0.0, 0.353553384542465 0.353553384542465, 0.0, 0.112854935228825, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 24.0, 24.0, 0.0572702661156654 0.0572702661156654, 0.0, 0.0, 0.0, 0.0, 0.00721537554636598 0.00721537554636598, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.63265311717987, 0.0, 0.0, 0.0, 0.0, 5.33333349227905, 0.0, 0.0, 0.0, 0.0, 0.0, 2.71896457672119, 0.0, 1.1877613067627, 0.0, , 0.0, 0.178520336747169, 0.0, 0.748808205127716, 0.0, 0.0, 0.0, 0.0190900880843401, 0.0, 0.0, 0.151522874832153, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0081768035889, 0.0, 0.0, 7.32714033126831, 0.0, 0.0, 28.0, 0.0, 50.2172050476074, 0.0, 0.0, 13.83327293396, 0.0, 48.1998252868652, 1.0, 0.0, 7.50613260269165, 0.0, 0.0, 0.0, 0.0, 0.0, 53.7982864379883, 0.0, 3.58496260643005, 3.0, 18.4236164093018, 0.0, 19.0400009155273, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.207106590271, 0.0, 0.0, 0.333333343267441, 2.56066012382507, 0.0, 0.0, 0.0, 1.56066012382507, 0.0, 2.91421365737915, 0.0, 0.353553384542465, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.407212108373642, 0.0, 1.0, 0.0, 0.0, -0.154796242713928, 0.0, 0.0, 0.0, 4.0, 0.0
-InChI%3D1S%2FC9H8O4%2Fc10-7-3-1-6%285-8%287%2911%292-4-9%2812%2913%2Fh1-5%2C10-11H%2C%28H%2C12%2C13%29%2Fb4-2%2B, 0.0, 1.8026887178421 1.8026887178421, 1.142218708992, -0.0722370445728302, 0.0, 0.0, 0.0, 1.80753147602081 1.80753147602081, 0.638022303581238, 0.0472131818532944, 0.0, 0.0, 2.51422595977783 2.51422595977783, 0.0136766033247113, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 60.0, 157.0, 0.391465961933136 0.391465961933136, 0.0, 1.16340255737305, 0.0, 0.0, 0.371276557445526 0.371276557445526, 0.0, 0.0, 0.0, 11.0769233703613, 0.0, 0.0, 0.387579053640366 0.387579053640366, 0.0, 5.02422142028809, 0.0, 0.0, 0.0, 0.0, 3.70370364189148, 0.0680413842201233, 0.0, 3.0, 0.0, 0.184195280075073, 6.63664054870605, 0.0240562614053488, 3.52366209030151, 0.0354054644703865, , 2.10257887840271, 0.27802911400795, 0.0, 2.41972279548645, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.4178307056427, 0.0, 0.0166666675359011, 0.0, 0.811644434928894, 0.0, 0.0, 0.0, 0.520403027534485, 0.0, 0.0, 0.0, 0.0, 0.213545233011246, 0.0, 77.7600021362305, 0.0, 0.0839137211441994, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.0978755950928, 1.0, 0.0, 14.3283681869507, 0.0, 0.0, 270.0, 0.0, 593.827270507812, 1.0, 0.0, 19.7670211791992, 0.0, 652.186828613281, 0.0, 0.0, 17.7670211791992, 0.0, 0.0, 0.0, 0.0, 0.0, 816.09326171875, 11.6604595184326, 4.70043992996216, 15.0, 706.653442382812, 0.0, 285.040008544922, 0.0, 450.573394775391, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 5.0, 0.0, 9.84493541717529, 0.0, 0.0, 0.5, 6.09222412109375, 2.0, 0.0, 0.0, 1.08377695083618, 0.0, 5.60484266281128, 0.0, 0.0, 4.55655384063721, 0.0, 3.85904479026794, 0.16666667163372, 9.3907413482666, 0.0, 0.0, 2.49027848243713, 3.0, 0.0, 0.364778965711594, 0.0, 0.0, 0.0, 1.0, -0.14227195084095, 0.0, 2.07856464385986, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H18N3OP%2Fc1-7-4-10%287%2914%2813%2C11-5-8%2811%292%2912-6-9%2812%293%2Fh7-9H%2C4-6H2%2C1-3H3, 0.0, 3.12415623664856 3.12415623664856, 1.49578189849854, 0.432383269071579, 3.0, 0.0, 0.0, 5.51616716384888 5.51616716384888, 0.569035589694977, -0.347378015518188, 0.0, 0.0, 7.33290529251099 7.33290529251099, 0.0576184168457985, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 86.0, 145.0, 1.86773252487183 1.86773252487183, 0.0, 0.0, 0.0, 0.70710676908493, 2.75216841697693 2.75216841697693, 0.547722578048706, 0.0, 0.0, 9.2421875, 1.06066012382507, 0.0, 3.69058609008789 3.69058609008789, 1.5, 2.56790113449097, 0.353553384542465, 0.0, 1.0, 0.915329873561859, 1.22222220897675, 1.28617906570435, 0.367607325315475, 0.0, 0.0, 2.73115706443787, 9.27441596984863, 0.90119993686676, 5.8545241355896, 1.61390435695648, , 0.75, 1.13975882530212, 0.0, 5.5693998336792, 0.0, 0.0, 0.0, 0.0245071537792683, 0.0, 0.0, 3.85719609260559, 0.0, 0.207752674818039, 0.0, 2.66695809364319, 3.0, 0.0300150103867054, 0.0, 1.92078721523285, 0.0, 0.0, 0.0, 0.0, 1.20468366146088, 0.0, 35.9099998474121, 0.0, 0.458294034004211, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.504846572876, 0.0, 0.0, 25.4545764923096, 0.0, 0.0, 277.0, 0.5, 658.260437011719, 0.0, 0.0, 30.7119560241699, 2.44297575950623, 830.572814941406, 0.0, 0.0, 29.7232933044434, 0.0, 0.0, 0.0, 0.0, 3.07795667648315, 897.658264160156, 22.99338722229, 4.80735492706299, 21.0, 981.677673339844, 0.0, 974.049987792969, 0.0, 901.077575683594, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 10.0854215621948, 0.0, 0.0, 0.5, 6.54756593704224, 0.0, 0.0, 0.0, 1.65688526630402, 0.0, 6.824462890625, 3.0, 0.0962250456213951, 0.75, 0.0, 5.01814985275269, 0.526099443435669, 3.57165241241455, 0.0, 0.0, 3.77942204475403, 0.0, 0.0, 0.323306083679199, 0.117851130664349, 0.0, 0.0, 1.0, -0.326708167791367, 3.0, 2.55213809013367, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC13H14Cl2O3%2Fc1-12%282%2C11%2816%2917%2918-9-5-3-8%284-6-9%2910-7-13%2810%2C14%2915%2Fh3-6%2C10H%2C7H2%2C1-2H3%2C%28H%2C16%2C17%29, 0.0, 4.65575790405273 4.65575790405273, 1.79766476154327, -0.151079133152962, 1.0, 1.0, 2.0, 4.4578537940979 4.4578537940979, 1.38413953781128, 0.168724611401558, 0.0, 0.0, 5.38220500946045 5.38220500946045, -0.00566408131271601, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 98.0, 292.0, 2.33361291885376 2.33361291885376, 0.0, 0.5, 0.0, 0.20412415266037, 2.13516902923584 2.13516902923584, 0.20412415266037, 0.666666686534882, 0.0, 14.4099721908569, 0.526099443435669, 0.0, 2.20566248893738 2.20566248893738, 0.0, 4.83555555343628, 0.235702261328697, 0.0, 0.0, 0.564972102642059, 3.32179927825928, 0.534517824649811, 0.231455028057098, 1.0, 0.0, 0.611966192722321, 11.6253547668457, 0.363080412149429, 6.3803915977478, 0.332137167453766, , 1.77103018760681, 2.25885272026062, 0.0, 6.54668951034546, 0.0, 2.77290391921997, 0.0, 0.364507406949997, 0.0, 0.0, 3.6277871131897, 0.0, 0.248154699802399, 0.0, 1.9515814781189, 2.0, 0.0186339002102613, 0.0, 1.29303812980652, 0.0, 0.0, 0.0, 0.0, 0.654129087924957, 0.0, 46.5299987792969, 0.0, 0.438279777765274, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 35.7489128112793, 3.0, 0.0, 24.2318420410156, 0.0, 0.0, 660.0, 0.5, 1129.82739257812, 1.0, 0.0, 45.6188163757324, 1.99053585529327, 1334.72595214844, 2.0, 0.0, 31.4449653625488, 0.0, 0.0, 0.0, 0.0, 2.00788974761963, 1690.16064453125, 28.8032245635986, 5.16992521286011, 24.0, 1475.34790039062, 0.0, 783.049987792969, 1.41421353816986, 1248.18127441406, 2.0, 0.0, 0.0, 0.0, 0.0, 0.142857149243355, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 13.5520420074463, 0.0, 0.0, 0.5, 8.22198104858398, 0.0, 0.0, 0.0, 2.87827062606812, 0.0, 8.92741012573242, 1.0, 0.40824830532074, 4.25141477584839, 0.0, 6.22370290756226, 0.873700141906738, 8.66465663909912, 0.0, 0.0, 3.81488442420959, 4.0, 0.0, 0.444113552570343, 0.20412415266037, 3.04661583900452, 0.0, 1.0, -0.188906595110893, 0.0, 3.0507926940918, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H11NO2%2Fc1-3-5%284-2%296%287%298%2Fh5H%2C3-4H2%2C1-2H3, 0.0, 1.13807117938995 1.13807117938995, 0.0, -0.0229397993534803, 2.0, 0.0, 0.0, 1.30473780632019 1.30473780632019, 0.0, -0.0154998060315847, 0.0, 0.0, 0.333333343267441 0.333333343267441, -0.00122026947792619, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 30.0, 43.0, 0.424466192722321 0.424466192722321, 0.0, 0.5, 0.0, 0.0, 0.400776028633118 0.400776028633118, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0430331490933895 0.0430331490933895, 0.0, 3.9375, 0.0, 0.0, 0.0, 0.0, 2.8125, 0.0, 0.0, 0.0, 0.0, 0.0, 5.25527381896973, 0.0, 2.85405731201172, 0.0, , 0.0, 0.172132596373558, 0.0, 1.75567424297333, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.24064099788666, 0.0, 0.0215165745466948, 0.0, 0.586817502975464, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 45.8199996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.90892601013184, 0.0, 0.0, 8.27311706542969, 0.0, 0.0, 67.0, 0.25, 253.120635986328, 0.0, 0.0, 9.77102375030518, 2.30940103530884, 247.869186401367, 0.0, 0.0, 9.66073799133301, 0.0, 0.0, 0.0, 0.0, 1.0, 259.322479248047, 6.32836771011353, 4.0, 8.0, 219.282913208008, 0.0, 268.029998779297, 0.0, 100.646934509277, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 6.56891393661499, 0.0, 0.0, 0.5, 3.71874403953552, 0.0, 0.0, 0.0, 0.5, 0.0, 2.8205931186676, 1.0, 0.0, 0.5, 0.0, 1.99156379699707, 0.16666667163372, 2.0, 0.0, 0.0, 1.23148417472839, 0.0, 0.0, 0.0652778372168541, 0.0, 0.0, 0.0, 2.0, 0.00702095637097955, 0.0, 0.0, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2, 0.0, 0.577350258827209 0.577350258827209, 0.0, -0.0746820494532585, 2.0, 0.0, 3.0, 0.288675129413605 0.288675129413605, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0248940158635378, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 29.0, 0.742307484149933 0.742307484149933, 0.0, 0.0, 0.0, 0.0, 0.420848786830902 0.420848786830902, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.20000004768372, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.39324426651001, 0.0, 3.07471776008606, 0.0, , 0.0, 0.327326834201813, 0.0, 2.14031529426575, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.70443499088287, 0.0, 0.0, 0.0, 0.371153742074966, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 29.1382598876953, 0.0, 0.0, 10.8552122116089, 0.0, 0.0, 31.0, 0.0, 310.086273193359, 0.0, 0.0, 12.8069496154785, 0.0, 289.183959960938, 0.0, 0.0, 23.3289813995361, 0.0, 0.0, 0.0, 0.0, 0.0, 263.730133056641, 8.71275329589844, 3.58496260643005, 4.0, 160.229598999023, 0.0, 70.0299987792969, 0.0, 32.0823135375977, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 4.99156379699707, 0.0, 0.0, 0.5, 2.80806040763855, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 1.92166829109192, 1.0, 0.0, 0.5, 0.0, 1.39384686946869, 0.0, 2.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.149364098906517, 0.0, 0.0, 0.0, 0.0, -0.0248940158635378, 0.0, 0.0, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC4H8N2S4.Zn%2Fc7-3%288%295-1-2-6-4%289%2910%3B%2Fh1-2H2%2C%28H2%2C5%2C7%2C8%29%28H2%2C6%2C9%2C10%29%3B%2Fq%3B%2B2%2Fp-2, 0.0, 0.577350258827209 0.577350258827209, , -0.00831829290837049, 2.0, 0.0, 0.0, 0.40824830532074 0.40824830532074, , 0.0959764569997787, 0.0, 0.0, 0.288675129413605 0.288675129413605, -0.0892288982868195, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 38.0, 820130816.0, 0.465306580066681 0.465306580066681, 0.0, 0.0, 0.0, 0.0, 0.329021424055099 0.329021424055099, 0.0, 0.0, 0.0, 13.580246925354, 0.0, 0.0, 0.147142857313156 0.147142857313156, 0.0, 8.10000038146973, 0.0, 0.0, 0.0, 0.0, 13.061224937439, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, , 0.200000002980232, 0.658042848110199, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 102.319999694824, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 64.8763885498047, 0.0, 0.0, 16.3438816070557, 0.0, 0.0, 10000000000.0, 0.0, 749.761352539062, 2.0, 0.0, 31.0417327880859, 0.0, 722.580505371094, 0.0, 0.0, 14.0391292572021, 0.0, 0.0, 0.0, 0.0, 0.0, 708.25146484375, 13.011510848999, 4.45943164825439, 7.0, 508.383331298828, 2.0, 115.069999694824, 0.0, 440.237365722656, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.999000012874603, , 0.0, 0.0, 0.0, 0.816496610641479, 2.0, , 0.0, 0.0, 1.0, 0.0, , 0.0, 1.63299322128296, 0.0, 0.0, , 0.0, 0.0, 0.222194135189056, 0.0, 0.0, 0.0, 0.0, -0.143250644207001, 0.0, , 0.0, 0.0, 0.0
-InChI%3D1S%2FC18H16N2O7S2.2Na%2Fc1-10-7-11%282%2916%2828%2822%2C23%2924%298-14%2810%2919-20-15-9-17%2829%2825%2C26%2927%2912-5-3-4-6-13%2812%2918%2815%2921%3B%3B%2Fh3-9%2C21H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2%2Fb20-19%2B%3B%3B, 0.0, 6.72638320922852 6.72638320922852, 5.13764667510986, -0.0386981777846813, 0.0, 0.0, 0.0, 10.4341831207275 10.4341831207275, 3.03216218948364, 0.0176983363926411, 0.0, 0.0, 14.8453550338745 14.8453550338745, -0.220536336302757, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 158.0, 1870457856.0, 2.18026781082153 2.18026781082153, 0.0, 3.48670125007629, 2.0, 0.0, 2.75587177276611 2.75587177276611, 0.0, 0.0, 0.0, 29.0322589874268, 0.0, 0.0, 3.25568318367004 3.25568318367004, 0.0, 10.9505205154419, 0.0, 0.0, 0.0, 0.0, 6.53333330154419, 0.184249803423882, 0.0, 1.0, 0.0, 0.438664078712463, 15.2503061294556, 0.0666533038020134, 9.12749290466309, 0.141372799873352, , 10.5928373336792, 1.1798859834671, 0.0, 7.17050361633301, 0.0, 0.0, 0.0, 0.0323152802884579, 0.0, 0.0, 4.89069652557373, 2.0, 0.253909438848495, 0.0, 3.36727428436279, 2.0, 0.00932861771434546, 0.0, 2.19462656974792, 0.0, 0.0, 0.0, 0.0, 1.19027280807495, 0.0, 176.110000610352, 0.0, 0.58619487285614, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 54.7243347167969, 4.0, 0.0, 50.7024192810059, 0.0, 0.0, 59000000512.0, 0.25, 2292.65795898438, 0.0, 0.0, 62.9798011779785, 2.21480870246887, 2716.92016601562, 0.0, 0.0, 68.0492248535156, 0.0, 0.0, 0.0, 0.0, 4.14073944091797, 4018.8955078125, 68.7629470825195, 5.95419645309448, 51.0, 4151.03271484375, 0.0, 1095.13000488281, 0.0, 3642.16870117188, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 0.0, 21.5601139068604, 0.0, 0.0, 0.999000012874603, 13.3918838500977, 0.0, 0.0, 0.0, 4.23710632324219, 2.0, 14.1755037307739, 0.0, 0.577350258827209, 5.14318466186523, 0.0, 10.2921543121338, 1.18675184249878, 16.8899765014648, 0.0, 0.0, 8.5538911819458, 7.0, 0.0, 0.722997784614563, 0.235702261328697, 0.0, 0.0, 4.0, -0.250396460294724, 0.0, 6.80223226547241, 0.0, 0.0, 0.0
-InChI%3D1S%2FC15H10O7%2Fc16-7-4-10%2819%2912-11%285-7%2922-15%2814%2821%2913%2812%2920%296-1-2-8%2817%299%2818%293-6%2Fh1-5%2C16-19%2C21H, 0.0, 4.74640226364136 4.74640226364136, 4.11344289779663, -0.251307457685471, 0.0, 1.0, 0.0, 7.5570855140686 7.5570855140686, 2.80223941802979, -0.146527543663979, 0.0, 0.0, 11.1309700012207 11.1309700012207, 0.230812728404999, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 120.0, 368.0, 1.31305491924286 1.31305491924286, 0.0, 2.4663667678833, 0.0, 0.0, 1.70420050621033 1.70420050621033, 0.0, 1.41714465618134, 0.0, 16.84375, 0.0, 0.0, 2.05662989616394 2.05662989616394, 0.0, 6.48148155212402, 0.0, 0.0, 0.0, 0.0, 3.16534781455994, 0.168957859277725, 0.0, 5.0, 0.0, 0.533011436462402, 11.0940160751343, 0.0618999414145947, 6.34999465942383, 0.11434417963028, , 15.1241436004639, 0.687337934970856, 0.0, 4.93372344970703, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.44985365867615, 0.0, 0.115376368165016, 0.0, 2.38159418106079, 0.0, 0.0, 0.0, 1.62139940261841, 0.0, 0.0, 0.0, 0.0, 0.926616668701172, 0.0, 127.449996948242, 0.0, 0.529114484786987, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.4212837219238, 2.0, 0.0, 26.6567363739014, 0.0, 0.0, 986.0, 0.0, 1322.07177734375, 1.0, 0.0, 41.3134727478027, 0.0, 1593.6826171875, 0.0, 0.0, 48.6331558227539, 0.0, 0.0, 0.0, 0.0, 0.0, 2329.41552734375, 44.1858177185059, 5.45943164825439, 40.0, 2463.5390625, 0.0, 834.070007324219, 0.0, 2039.6943359375, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 12.0, 0.0, 16.0161437988281, 0.0, 0.0, 0.5, 10.3799180984497, 0.0, 0.0, 0.0, 1.96120929718018, 0.0, 10.0367803573608, 2.0, 0.0, 2.60102272033691, 0.0, 8.61163425445557, 0.62265956401825, 15.9185342788696, 0.0, 0.0, 7.13195848464966, 5.0, 0.0, 0.730861186981201, 0.0, 0.0, 0.0, 1.0, -0.126953318715096, 0.0, 5.547278881073, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC7H15N3O%2Fc1-6-4-10%288-11%295-7%282%299%286%293%2Fh6-7H%2C4-5H2%2C1-3H3, , 2.11262774467468 2.11262774467468, 0.922798097133636, -0.0320557951927185, 2.0, 0.0, 0.0, 2.67232036590576 2.67232036590576, 0.300789654254913, 0.0512915141880512, , 0.0, 3.43565249443054 3.43565249443054, -0.0342541374266148, , 0.0, 0.5, 0.0, 0.0, 0.0, 52.0, 99.0, 1.40452194213867 1.40452194213867, 0.0, 0.0, 0.0, 0.0, 1.58225953578949 1.58225953578949, 0.0, 0.0, 0.0, 9.09090900421143, 0.0, 0.0, 1.71770644187927 1.71770644187927, 0.333333343267441, 3.59999990463257, 0.0, 0.0, 0.0, 0.0, 1.9753086566925, 0.0555555559694767, 0.0, 0.0, 0.0, 0.205950379371643, 7.31880331039429, 0.0333333350718021, 3.94983816146851, 0.114907123148441, , 0.5, 0.614219546318054, 0.0, 3.31675934791565, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.45592308044434, 0.0, 0.210818514227867, , 1.44320571422577, 3.0, 0.0, 0.0, 0.770496428012848, 0.0, , , 0.0, 0.393541038036346, 0.0, 35.9099998474121, 0.0, 0.0960515365004539, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.8544330596924, 0.0, 0.0, 12.7443799972534, 0.0, , 148.0, 0.908560276031494, 572.942687988281, 0.0, 0.0, 16.8829479217529, 2.0800838470459, 638.022399902344, 0.0, 0.0, 16.6889133453369, 0.0, 0.0, 0.0, , 3.30192732810974, 841.944946289062, 10.5227279663086, 4.45943164825439, 15.0, 739.411865234375, 0.0, 566.039978027344, 0.0, 361.030700683594, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 8.43072128295898, , , 0.333333343267441, 5.14706563949585, 0.0, 0.0, 0.0, 0.867978751659393, 1.0, 4.55936288833618, 2.0, 0.0, 0.5, 0.0, 3.78272390365601, 0.272165536880493, 2.30940103530884, 0.0, 0.0, 2.47126626968384, 0.0, 0.0, 0.157453954219818, 0.0, 0.0, 0.0, 1.0, -0.0850270092487335, 2.0, 1.70471298694611, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H7NO3%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3, 0.0, 1.48758697509766 1.48758697509766, 0.702221035957336, -0.0701965540647507, 0.0, 1.0, 0.0, 2.22699189186096 2.22699189186096, 0.34432190656662, -0.0283223837614059, 0.0, 0.0, 2.58764219284058 2.58764219284058, 0.0949089005589485, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 50.0, 89.0, 0.347062289714813 0.347062289714813, 0.0, 0.5, 0.0, 0.0, 0.409329682588577 0.409329682588577, 0.0, 0.5, 0.0, 9.09090900421143, 0.0, 0.0, 0.345112711191177 0.345112711191177, 0.0, 4.13265323638916, 0.0, 0.0, 0.0, 0.0, 2.21453285217285, 0.0833333358168602, 0.0, 0.0, 0.0, 0.107038088142872, 5.98135948181152, 0.0277777779847383, 3.02847790718079, 0.0237628296017647, , 1.0, 0.160743087530136, 0.0, 1.92895865440369, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.28186655044556, 0.0, 0.0259728021919727, 0.0, 0.780607521533966, 1.0, 0.0, 0.0, 0.431488394737244, 0.0, 0.0, 0.0, 0.0, 0.127702206373215, 0.0, 55.0499992370605, 0.0, 0.0480379872024059, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.6833953857422, 0.0, 0.0, 12.9373016357422, 0.0, 0.0, 150.0, 0.0, 433.404205322266, 0.0, 0.0, 16.4352073669434, 1.01626551151276, 477.553131103516, 0.0, 0.0, 16.8783874511719, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 597.202575683594, 14.5417680740356, 4.45943164825439, 14.0, 534.106994628906, 0.0, 214.039993286133, 0.0, 316.810821533203, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 8.26758480072021, 0.0, 0.0, 0.400000005960464, 5.25321865081787, 0.0, 0.0, 0.0, 0.636082768440247, 0.0, 4.36065673828125, 0.0, 0.0, 3.96540641784668, 0.0, 3.34855341911316, 0.20412415266037, 4.29827976226807, 0.0, 0.0, 2.62088251113892, 4.0, 0.0, 0.249770432710648, 0.0, 0.0, 0.0, 2.0, -0.0751471146941185, 0.0, 1.79927670955658, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299, 0.0, 3.64273452758789 3.64273452758789, 0.829344630241394, -0.149364098906517, 0.0, 0.0, 6.0, 4.97606754302979 4.97606754302979, 0.222222223877907, -0.0746820494532585, 0.0, 0.0, 7.01965713500977 7.01965713500977, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 60.0, 102.0, 2.77899146080017 2.77899146080017, 0.0, 0.0, 0.0, 0.0, 3.65978360176086 3.65978360176086, 0.0, 0.0, 0.0, 10.0833330154419, 0.0, 0.0, 4.78164720535278 4.78164720535278, 0.0, 3.3950617313385, 0.0, 0.0, 0.0, 0.0, 1.5625, 0.0370370373129845, 0.0, 0.0, 0.0, 0.222222223877907, 9.80336093902588, 0.015625, 4.90168046951294, 0.106302507221699, , 9.12546539306641, 0.85042005777359, 0.0, 4.15168046951294, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0044116973877, 0.0, 0.482142865657806, 0.0, 2.00220584869385, 0.0, 0.0, 0.0, 1.00110292434692, 0.0, 0.0, 0.0, 0.0, 0.45367643237114, 0.0, 0.0, 0.0, 0.120535716414452, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 58.2765197753906, 0.0, 0.0, 23.7104244232178, 0.0, 0.0, 174.0, 0.0, 1112.02917480469, 0.0, 0.0, 41.4208488464355, 0.0, 1287.06384277344, 0.0, 0.0, 90.6973724365234, 0.0, 0.0, 0.0, 0.0, 0.0, 1797.39135742188, 69.986946105957, 4.58496236801147, 21.0, 1744.31628417969, 0.0, 12.0600004196167, 0.0, 845.620544433594, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 9.46410179138184, 0.0, 0.0, 0.200000002980232, 5.46410179138184, 0.0, 0.0, 0.0, 1.15470051765442, 0.0, 5.154700756073, 0.0, 0.0, 0.0, 0.0, 4.97606754302979, 0.666666686534882, 0.0, 0.0, 0.0, 2.87293410301208, 0.0, 0.0, 0.298728197813034, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.65868926048279, 0.0, 0.0, 0.0
-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, , 1.81439781188965 1.81439781188965, 2.09264492988586, 0.212136849761009, 0.0, 1.0, , 2.83498930931091 2.83498930931091, 1.38631558418274, -0.097599595785141, , , 3.97108125686646 3.97108125686646, 0.000479903683299199, , 0.0, 1.0, , 0.0, , 74.0, 194.0, 0.570337891578674 0.570337891578674, , 0.0, , 0.0, 0.765579283237457 0.765579283237457, 0.0, 0.5, , 11.484375, 0.0, , 0.857429087162018 0.857429087162018, 0.0, 5.36507940292358, 0.0, 0.0, , 0.0, 2.76543211936951, 0.151374712586403, 0.0, 1.0, 0.0, 0.251375645399094, 8.3441276550293, 0.0518340393900871, 4.62404251098633, 0.0675251036882401, , 3.14734530448914, 0.255252510309219, 0.0, 3.08552765846252, 0.0, 0.0, , 0.0, , 0.0, 2.14216327667236, 2.0, 0.0410666055977345, , 1.42868208885193, 1.0, 0.0, 0.0, 0.969816863536835, , , , 0.0, 0.464180260896683, , 41.8199996948242, 0.0, 0.250395506620407, , 0.0, 0.0, 0.0, , 0.0, 16.9089260101318, 2.0, , 17.3286457061768, 0.0, , 362.0, 0.0, 846.215026855469, 1.0, 0.0, 23.5455856323242, 1.07576775550842, 968.264526367188, 0.0, 0.0, 23.1587371826172, 0.0, 0.0, , , 1.01626551151276, 1294.69812011719, 18.9928302764893, 4.90689039230347, 21.0, 1243.97448730469, , 519.030029296875, 0.0, 913.325561523438, 1.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 0.0, 0.0, , , 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 10.6733617782593, , , 0.5, 7.30886173248291, 0.0, 0.0, 0.0, 0.75809121131897, 1.0, 6.14849710464478, 0.0, 0.0, 8.73702907562256, , 5.12524175643921, 0.136082768440247, 11.1401453018188, 0.0, , 4.04780149459839, 7.0, 0.0, 0.29770827293396, 0.0, 0.0, 0.0, 0.0, -0.271495074033737, 0.0, 3.36411070823669, , 0.0, 0.0
-InChI%3D1S%2FC5H11Cl2NO%2Fc1-8%289%2C4-2-6%295-3-7%2Fh2-5H2%2C1H3, 0.0, 1.20710682868958 1.20710682868958, 0.125, -0.143815115094185, 4.0, 0.0, 2.0, 1.81066012382507 1.81066012382507, 0.0, 0.106687560677528, 0.0, 0.0, 0.853553414344788 0.853553414344788, -0.00509306415915489, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 36.0, 68.0, 0.627901375293732 0.627901375293732, 0.0, 0.0, 0.0, 0.0, 0.998519659042358 0.998519659042358, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.503441095352173 0.503441095352173, 0.0, 3.92000007629395, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.0, 0.0, 0.0, 6.95167589187622, 0.0, 3.86581087112427, 0.0, , 0.0, 0.573092758655548, 0.0, 2.87794232368469, 0.0, 0.0, 0.0, 0.0912870913743973, 0.0, 0.0, 1.45310807228088, 0.0, 0.0, 0.0, 1.18448424339294, 1.0, 0.0, 0.0, 0.253546267747879, 0.0, 0.0, 0.0, 0.0, 0.143747225403786, 0.0, 17.0699996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.559965133667, 0.0, 0.0, 12.9554967880249, 0.0, 0.0, 96.0, 0.0, 431.784210205078, 0.0, 0.0, 15.2321214675903, 1.63299322128296, 431.270568847656, 0.0, 0.0, 13.5487289428711, 0.0, 0.0, 0.0, 0.0, 0.0, 486.783660888672, 20.6709213256836, 4.16992521286011, 8.0, 376.700927734375, 0.0, 289.040008544922, 0.0, 261.512512207031, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.3284273147583, 0.0, 0.0, 0.5, 4.12132024765015, 0.0, 0.0, 0.0, 1.20710682868958, 0.0, 3.66421365737915, 0.0, 0.25, 2.94168281555176, 0.0, 1.85355341434479, 0.0, 0.0, 0.0, 0.0, 1.47855341434479, 0.0, 0.0, 0.259307950735092, 0.0, 0.0, 0.0, 1.0, -0.0622541680932045, 0.0, 0.25, 0.0, 0.0, 0.0
-InChI%3D1S%2FC14H19Cl2NO2%2Fc15-8-10-17%2811-9-16%2913-6-4-12%285-7-13%292-1-3-14%2818%2919%2Fh4-7H%2C1-3%2C8-11H2%2C%28H%2C18%2C19%29, 0.0, 1.66449689865112 1.66449689865112, 2.05220913887024, -0.0983399823307991, 7.0, 0.0, 2.0, 2.31749081611633 2.31749081611633, 1.27523279190063, 0.13393446803093, 0.0, 0.0, 2.72201633453369 2.72201633453369, -0.0159243531525135, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 84.0, 343.0, 0.743748545646667 0.743748545646667, 0.0, 0.5, 0.0, 0.0, 1.05117642879486 1.05117642879486, 0.0, 0.0, 0.0, 17.0526313781738, 0.0, 0.0, 1.15451741218567 1.15451741218567, 0.0, 9.83364868164062, 0.0, 0.0, 0.0, 0.0, 6.81656789779663, 0.0833333358168602, 0.0, 1.0, 0.0, 0.107038088142872, 12.329610824585, 0.0277777779847383, 7.41583490371704, 0.0320644564926624, , 0.685006737709045, 0.36873984336853, 0.0, 5.03468084335327, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.20450973510742, 0.0, 0.0372678004205227, 0.0, 2.29928851127625, 0.0, 0.0, 0.0, 1.51010203361511, 0.0, 0.0, 0.0, 0.0, 0.877377927303314, 0.0, 40.5400009155273, 0.0, 0.436116397380829, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 36.3344345092773, 1.0, 0.0, 24.0662136077881, 0.0, 0.0, 846.0, 0.0, 1153.22277832031, 1.0, 0.0, 29.0068683624268, 0.0, 1251.40393066406, 0.0, 0.0, 28.8810997009277, 0.0, 0.0, 0.0, 0.0, 0.0, 1534.23889160156, 30.6373195648193, 5.24792766571045, 23.0, 1555.71618652344, 0.0, 1102.05004882812, 0.0, 1372.50964355469, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 14.0875759124756, 0.0, 0.0, 0.5, 9.16823387145996, 0.0, 0.0, 0.0, 0.945705771446228, 0.0, 7.44298601150513, 0.0, 0.0, 15.6577882766724, 0.0, 5.2708568572998, 0.0833333358168602, 10.6466913223267, 0.0, 0.0, 4.12040996551514, 4.0, 0.0, 0.383713841438293, 0.0, 0.0, 0.0, 1.0, -0.177990913391113, 1.0, 3.07757043838501, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H6N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-2H%2C3-4H2, 0.0, 0.492799282073975 0.492799282073975, 0.348461717367172, -0.0484479926526546, 2.0, 1.0, 0.0, 0.594861328601837 0.594861328601837, 0.144337564706802, 0.0549362823367119, 0.0, 0.0, 0.492799282073975 0.492799282073975, -0.0238798297941685, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 60.0, 0.0977283865213394 0.0977283865213394, 0.0, 0.0, 0.0, 0.0, 0.0966604053974152 0.0966604053974152, 0.0, 0.333333343267441, 0.0, 6.125, 0.0, 0.0, 0.0719123482704163 0.0719123482704163, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 4.27983808517456, 0.0304290316998959, 2.31988120079041, 0.0136082759127021, , 0.0, 0.0577350258827209, 0.0, 1.38356494903564, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.839112281799316, 0.0, 0.0, 0.0, 0.471429884433746, 0.0, 0.0, 0.0, 0.268005818128586, 0.0, 0.0, 0.0, 0.0, 0.0486815720796585, 0.0, 41.9000015258789, 0.0, 0.0111111113801599, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.2689142227173, 0.0, 0.0, 9.96519756317139, 0.0, 0.0, 64.0, 0.0, 265.990264892578, 0.0, 0.0, 11.2696714401245, 0.0, 278.521118164062, 0.0, 0.0, 8.9372091293335, 0.0, 0.0, 0.0, 0.0, 0.0, 310.947265625, 3.83036923408508, 4.0, 7.0, 212.722015380859, 0.0, 140.039993286133, 0.0, 67.0353469848633, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 1.0, 0.0, 0.0, 5.81999111175537, 0.0, 0.0, 0.400000005960464, 3.9318516254425, 2.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.91228413581848, 0.0, 0.0, 3.96540641784668, 0.0, 2.30209517478943, 0.0, 0.0, 0.0, 0.0, 1.59538793563843, 0.0, 0.0, 0.147481873631477, 0.0, 0.0, 0.0, 1.0, -0.055682860314846, 1.0, 1.10517168045044, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC12H14O4%2Fc1-2-9%2813-5-11-7-15-11%294-10%283-1%2914-6-12-8-16-12%2Fh1-4%2C11-12H%2C5-8H2, 0.0, 1.10172760486603 1.10172760486603, 1.79911375045776, -0.186141282320023, 4.0, 4.0, 0.0, 1.40824830532074 1.40824830532074, 1.19570577144623, 0.115607000887394, 0.0, 0.0, 1.83155286312103 1.83155286312103, 0.136561840772629, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 84.0, 280.0, 0.33905890583992 0.33905890583992, 0.0, 0.0, 0.0, 0.577350258827209, 0.359042286872864 0.359042286872864, 0.333333343267441, 0.0, 0.0, 11.1111106872559, 0.40824830532074, 0.0, 0.391287118196487 0.391287118196487, 0.0, 5.10416650772095, 0.0, 0.0, 0.0, 0.235702261328697, 3.76923084259033, 0.25, 0.0, 0.0, 0.0, 0.353553384542465, 8.92552185058594, 0.0758903026580811, 5.48871374130249, 0.0782360136508942, , 1.53261888027191, 0.371785014867783, 0.0, 4.00755071640015, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.14869022369385, 0.0, 0.0, 0.0, 1.22457730770111, 0.0, 0.0, 0.0, 0.797466158866882, 0.0, 0.0, 0.0, 0.0, 0.427195847034454, 0.0, 43.5200004577637, 0.0, 0.23789669573307, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.0978755950928, 0.0, 0.0, 20.6567363739014, 1.17598414421082, 0.0, 509.0, 0.0, 714.406616210938, 0.0, 0.0, 20.6567363739014, 0.0, 814.649597167969, 0.0, 0.0, 20.5414905548096, 0.0, 0.0, 0.0, 0.0, 0.0, 889.694152832031, 17.1028366088867, 5.0, 17.0, 830.741027832031, 0.0, 784.039978027344, 0.0, 705.812133789062, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 10.7946825027466, 0.0, 0.0, 0.5, 7.89897966384888, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 6.94010877609253, 2.0, 0.0, 7.43807697296143, 0.0, 4.67423439025879, 0.0, 10.8086843490601, 0.0, 0.0, 3.44684481620789, 4.0, 0.0, 0.707682549953461, 0.0, 0.0, 0.0, 0.0, -0.306539952754974, 0.0, 2.67354035377502, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H, , 0.40824830532074 0.40824830532074, 0.20412415266037, -0.00663653016090393, 0.0, , , 0.433012694120407 0.433012694120407, 0.0, -0.000509866105858237, , , 0.40824830532074 0.40824830532074, -2.07226748898393e-05, , 0.0, 0.333333343267441, , , , 30.0, 45.0, 0.218217894434929 0.218217894434929, , 0.0, , 0.0, 0.188982233405113 0.188982233405113, 0.0, 0.0, , 5.14285707473755, 0.0, , 0.145478591322899 0.145478591322899, 0.0, 2.34375, 0.0, 0.0, , 0.0, 1.5, 0.102062076330185, 0.0, , 0.0, 0.102062076330185, 4.5206446647644, 0.0320750139653683, 2.4776303768158, 0.0363696478307247, , 0.0, 0.188982233405113, 0.0, 1.73200392723083, 0.0, 0.0, , 0.0, , 0.0, 0.985086858272552, 0.0, 0.0, , 0.560145676136017, 0.0, 0.0, , 0.31843826174736, , , , 0.0, 0.0727392956614494, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 14.7127532958984, 0.0, , 8.95173740386963, 0.0, , 42.0, 0.0, 338.915740966797, 0.0, 0.0, 11.9034748077393, 0.0, 351.276214599609, 0.0, 0.0, 8.90347480773926, 0.0, , , , 0.0, 386.591156005859, 2.95173740386963, 3.80735492706299, 5.0, 229.686569213867, , 102.01000213623, 0.0, 38.188850402832, 1.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , , 0.0, 0.0, 0.0, 0.0, 6.0, , 5.11288404464722, , , 0.25, 3.3938467502594, 0.0, 0.0, , 0.288675129413605, , 2.74318218231201, 0.0, 0.0, 6.08364343643188, , 1.89384686946869, 0.0, 3.04182171821594, , , 1.30671286582947, 5.0, , 0.0398882701992989, 0.0, 0.0, , , -0.0127770155668259, , 0.901047587394714, , , 0.0
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-InChI%3D1S%2FC2Cl2%2Fc3-1-2-4, 0.0, 0.0 0.0, 0.0, -0.00867658294737339, 0.0, 0.0, 2.0, 0.0 0.0, 0.0, 0.0043382914736867, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 10.0, 14.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.26778674125671, 0.0, 1.38389337062836, 0.0, , 0.0, 0.0, 0.0, 0.566946685314178, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.321428567171097, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.4255065917969, 0.0, 0.0, 6.90347480773926, 0.0, 0.0, 10.0, 0.0, 120.742179870605, 0.0, 0.0, 5.90347480773926, 0.0, 95.7451095581055, 0.0, 0.0, 8.71275329589844, 0.0, 0.0, 0.0, 0.0, 0.0, 58.8698501586914, 0.0, 3.0, 1.0, 23.4958324432373, 0.0, 3.01999998092651, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.41421365737915, 0.0, 0.0, 0.333333343267441, 1.91421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0173531658947468, 0.0, 0.0, 0.0, 0.0, -0.0043382914736867, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H7N3OS%2Fc1-4-2-10-5%287-4%298-6-3-9%2Fh2-3H%2C1H3%2C%28H%2C6%2C9%29%28H%2C7%2C8%29, 0.0, 0.777317047119141 0.777317047119141, 0.587764322757721, 0.023172764107585, 0.0, 0.0, 0.0, 1.12671315670013 1.12671315670013, 0.343443363904953, 0.104608587920666, 0.0, 0.0, 0.93434089422226 0.93434089422226, -0.140871405601501, 0.0, 0.0, 0.75, 0.0, 0.0, 1.0, 44.0, 106.0, 0.431423097848892 0.431423097848892, 0.0, 0.0, 0.0, 0.0, 0.557825744152069 0.557825744152069, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.331951528787613 0.331951528787613, 0.0, 4.0, 0.117851130664349, 0.0, 0.0, 0.0, 2.65088748931885, 0.201184466481209, 0.079056940972805, 1.0, 0.0, 0.142258897423744, 6.22108602523804, 0.118585415184498, 3.5453724861145, 0.0572061389684677, , 0.5, 0.266030073165894, 0.0, 2.50851535797119, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.70173537731171, 0.0, 0.0, 0.0, 1.12640583515167, 1.0, 0.0, 0.0, 0.512863993644714, 0.0, 0.0, 0.0, 0.0, 0.147340059280396, 0.0, 85.75, 0.0, 0.0636221468448639, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.9821853637695, 0.0, 0.0, 14.6963911056519, 0.0, 0.0, 132.0, 0.0, 566.236938476562, 0.0, 0.0, 19.4749088287354, 0.577350258827209, 612.13623046875, 0.0, 0.0, 13.02907371521, 0.0, 0.0, 0.0, 0.0, 1.15470051765442, 742.5517578125, 8.66661834716797, 4.32192802429199, 8.0, 439.373596191406, 0.0, 199.050003051758, 0.0, 287.307037353516, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.65096366405487, 0.0, 0.0, 0.0, 1.0, 0.0, 7.39734125137329, 0.0, 0.0, 0.428571432828903, 4.8256983757019, 1.0, 1.0, 0.0, 0.492799282073975, 1.0, 3.92647814750671, 0.0, 0.0, 0.200000002980232, 0.0, 2.76934242248535, 0.0, 1.70914804935455, 1.0, 0.0, 2.0799458026886, 1.0, 0.0, 0.235454559326172, 0.0, 0.0, 0.0, 0.0, -0.169594138860703, 0.0, 1.27880835533142, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H, , 1.44017744064331 1.44017744064331, 1.37313032150269, -0.0120746847242117, 0.0, , , 2.34362530708313 2.34362530708313, 0.885919213294983, -0.00144939380697906, , , 3.05891346931458 3.05891346931458, -6.77500938763842e-05, , 0.0, 0.75, , , , 64.0, 151.0, 0.491756230592728 0.491756230592728, , 0.0, , 0.0, 0.650328814983368 0.650328814983368, 0.0, 0.0, , 9.55102062225342, 0.0, , 0.685604989528656 0.685604989528656, 0.0, 4.48148155212402, 0.0, 0.0, , 0.0, 2.26843094825745, 0.185395404696465, 0.0, , 0.0, 0.190371423959732, 7.14336585998535, 0.0598527938127518, 4.21164083480835, 0.0423489958047867, , 2.38110160827637, 0.220051839947701, 0.0, 2.88317441940308, 0.0, 0.0, , 0.0, , 0.0, 1.9888436794281, 0.0, 0.0426901616156101, , 1.3354606628418, 0.0, 0.0, , 0.861140131950378, , , , 0.0, 0.345625728368759, , 20.2299995422363, 0.0, 0.18893301486969, , 0.0, 0.0, 0.0, , 0.0, 13.7744693756104, 2.0, , 14.3320922851562, 0.0, , 240.0, 0.0, 761.106994628906, 0.0, 0.0, 18.6641845703125, 0.0, 861.534057617188, 0.0, 0.0, 17.9962768554688, 0.0, , , , 0.0, 1113.91076660156, 13.9962759017944, 4.70043992996216, 17.0, 1015.08331298828, , 420.010009765625, 0.0, 706.953125, 3.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 10.0, , 9.09601211547852, , , 0.428571432828903, 6.37700986862183, 0.0, , , 0.538451671600342, , 5.32368564605713, 0.0, 0.0, 12.4071960449219, , 4.43315410614014, 0.164266422390938, 11.3998241424561, , , 3.60758376121521, 9.0, , 0.0752628296613693, 0.0, 0.0, , , -0.0240395702421665, , 2.79330086708069, , , 0.0
-InChI%3D1S%2FC7H5NO3S.Na%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%3B%2Fh1-4H%2C%28H%2C8%2C9%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 2.80213809013367 2.80213809013367, 1.36740863323212, 0.158109411597252, 0.0, 0.0, 0.0, 4.93283939361572 4.93283939361572, 0.844240128993988, -0.26345083117485, 0.0, 0.0, 6.51542568206787 6.51542568206787, 0.1000015437603, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 66.0, 230196192.0, 0.90332168340683 0.90332168340683, 0.0, 0.944940805435181, 1.0, 0.0, 1.15263330936432 1.15263330936432, 0.0, 0.0, 0.0, 11.0769233703613, 0.0, 0.0, 1.02485811710358 1.02485811710358, 0.0, 3.63000011444092, 0.0680413842201233, 0.0, 0.0, 0.0, 1.77514791488647, 0.383682519197464, 0.048472922295332, 0.0, 0.0, 0.684640526771545, 5.94022130966187, 0.1233274564147, 3.83028769493103, 0.140227720141411, , 2.38110160827637, 0.492526948451996, 0.0, 3.05806183815002, 0.0, 0.0, 0.0, 0.0323152802884579, 0.0, 0.0, 2.15004897117615, 0.0, 0.10268971323967, 0.0, 1.48133385181427, 0.0, 0.00932861771434546, 0.0, 0.846729159355164, 0.0, 0.0, 0.0, 0.0, 0.380066752433777, 0.0, 77.9400024414062, 0.0, 0.191283673048019, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 24.4749336242676, 1.0, 0.0, 22.3943252563477, 0.0, 0.0, 12000000000.0, 0.0, 835.467224121094, 1.0, 0.0, 28.7728691101074, 0.0, 993.227416992188, 0.0, 0.0, 26.8850765228271, 0.0, 0.0, 0.0, 0.0, 0.0, 1483.70349121094, 17.5436458587646, 4.70043992996216, 18.0, 1180.51403808594, 0.0, 133.059997558594, 0.0, 633.00341796875, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 8.76758480072021, 0.0, 0.0, 0.999000012874603, 5.61099052429199, 0.0, 0.0, 0.0, 1.54011297225952, 1.0, 5.72479391098022, 0.0, 0.20412415266037, 3.96540641784668, 0.0, 4.40215826034546, 0.428855359554291, 5.55315780639648, 0.0, 0.0, 3.94350004196167, 4.0, 0.0, 0.342272698879242, 0.0833333358168602, 0.0, 0.0, 2.0, -0.165229082107544, 0.0, 2.81080460548401, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H12N2O%2Fc1-11%2810-12%298-7-9-5-3-2-4-6-9%2Fh2-6H%2C7-8H2%2C1H3, , 0.925812005996704 0.925812005996704, 0.857710719108582, 0.0339740552008152, 2.0, 0.0, 0.0, 0.91561895608902 0.91561895608902, 0.504431009292603, -0.0256839655339718, , 0.0, 0.977640509605408 0.977640509605408, -0.00234928331337869, , 0.0, 1.0, 0.0, 0.0, 0.0, 52.0, 148.0, 0.377151131629944 0.377151131629944, 0.0, 0.0, 0.0, 0.0, 0.342168807983398 0.342168807983398, 0.0, 0.0, 0.0, 10.0833330154419, 0.0, 0.0, 0.321392446756363 0.321392446756363, 0.0, 5.61224508285522, 0.0, 0.0, 0.0, 0.0, 4.0, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 7.10364055633545, 0.0320750139653683, 3.91025257110596, 0.0226804614067078, , 0.0, 0.259272485971451, 0.0, 2.69850420951843, 0.0, 0.0, , 0.0, , 0.0, 1.70629465579987, 0.0, 0.0, , 0.976404905319214, 1.0, 0.0, 0.0, 0.649025022983551, , , , 0.0, 0.275388777256012, 0.0, 32.6699981689453, 0.0, 0.132806643843651, , 0.0, 0.0, 0.0, , 0.0, 13.4944448471069, 1.0, , 13.2458248138428, 0.0, , 226.0, 0.0, 561.208374023438, 0.0, 0.0, 15.0520219802856, 1.55299711227417, 596.182495117188, 0.0, 0.0, 12.9965543746948, 0.0, 0.0, 0.0, , 0.25, 691.960754394531, 8.83064746856689, 4.58496236801147, 12.0, 571.095458984375, 0.0, 444.029998779297, 0.0, 378.933258056641, 1.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 1.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 6.0, 0.0, 8.81155490875244, , , 0.5, 5.8256983757019, 0.0, 0.0, 0.0, 0.492799282073975, 1.0, 4.59480619430542, 0.0, 0.0, 9.56307411193848, , 3.48938250541687, 0.0, 4.44554471969604, 0.0, 0.0, 2.20015907287598, 5.0, 0.0, 0.0618681348860264, 0.0, 0.0, 0.0, 1.0, -0.0366808958351612, 1.0, 1.70750749111176, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H24N2O%2Fc15-13-14-11-9-7-5-3-1-2-4-6-8-10-12-14%2Fh1-12H2, 0.0, 0.492799282073975 0.492799282073975, 1.38397324085236, 0.0289573762565851, 12.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.967147946357727, -0.0211942940950394, 0.0, 0.0, 0.492799282073975 0.492799282073975, -0.00434269849210978, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 62.0, 196.0, 0.182246178388596 0.182246178388596, 0.0, 0.0, 0.0, 0.0, 0.207735031843185 0.207735031843185, 0.0, 0.0, 0.0, 13.0666666030884, 0.0, 0.0, 0.182246178388596 0.182246178388596, 0.0, 9.2421875, 0.0, 0.0, 0.0, 0.0, 6.97577857971191, 0.0, 0.0, 0.0, 0.0, 0.0, 9.78795719146729, 0.0, 6.51502990722656, 0.0, , 0.0, 0.100000001490116, 0.0, 4.57084655761719, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.19792556762695, 0.0, 0.0, 0.0, 2.19630146026611, 0.0, 0.0, 0.0, 1.5070766210556, 0.0, 0.0, 0.0, 0.0, 1.03317749500275, 0.0, 32.6699981689453, 0.0, 0.70759528875351, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 16.4944458007812, 0.0, 0.0, 16.2458248138428, 0.0, 0.0, 397.0, 0.0, 807.391662597656, 0.0, 0.0, 17.2182064056396, 0.0, 828.443725585938, 0.0, 0.0, 18.3289241790771, 0.0, 0.0, 0.0, 0.0, 0.0, 878.677368164062, 18.3289241790771, 4.90689039230347, 17.0, 903.368896484375, 0.0, 1311.03002929688, 0.0, 901.614990234375, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 10.0, 0.0, 10.7697381973267, 0.0, 0.0, 0.25, 7.43185186386108, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 5.38715791702271, 0.0, 0.0, 22.045597076416, 0.0, 4.05209493637085, 0.0, 0.0, 0.0, 0.0, 2.83282470703125, 0.0, 0.0, 0.0583857148885727, 0.0, 0.0, 0.0, 1.0, -0.0322742648422718, 1.0, 1.98017168045044, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC2H5N3O2%2Fc1-5%284-7%292%283%296%2Fh1H3%2C%28H2%2C3%2C6%29, 0.0, 1.27614235877991 1.27614235877991, 0.0, 0.099287636578083, 0.0, 0.0, 0.0, 0.70710676908493 0.70710676908493, 0.0, -0.0974544435739517, 0.0, 0.0, 0.235702261328697 0.235702261328697, 0.0330864191055298, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 26.0, 36.0, 0.207906872034073 0.207906872034073, 0.0, 0.25, 0.0, 0.0, 0.0477985441684723 0.0477985441684723, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 0.00912870932370424 0.00912870932370424, 0.0, 3.06122446060181, 0.0, 0.0, 0.0, 0.0, 2.66666674613953, 0.0, 0.0, 1.0, 0.0, 0.0, 3.74988913536072, 0.0, 1.52700138092041, 0.0, , 0.0, 0.150000005960464, 0.0, 0.928863227367401, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.428999245166779, 0.0, 0.0223606806248426, 0.0, 0.0386698320508003, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 76.75, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 9.62890243530273, 0.0, 0.0, 7.74410200119019, 0.0, 0.0, 46.0, 0.0, 173.517120361328, 1.0, 0.0, 9.35275650024414, 0.0, 168.463088989258, 0.0, 0.0, 8.07591533660889, 0.0, 0.0, 0.0, 0.0, 0.5, 178.251937866211, 3.32793498039246, 3.80735492706299, 6.0, 120.336395263672, 0.0, 79.0500030517578, 0.0, 26.9302577972412, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.86180734634399, 0.0, 0.0, 0.5, 3.18073916435242, 0.0, 0.0, 0.0, 0.569035589694977, 1.0, 2.62954902648926, 0.0, 0.0, 0.0, 0.0, 1.78202176094055, 0.235702261328697, 0.0, 0.0, 0.0, 0.471404522657394, 0.0, 0.0, 0.161995515227318, 0.0, 0.0, 0.0, 1.0, -0.115917377173901, 1.0, 0.0, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC4H10O3%2Fc5-1-3-7-4-2-6%2Fh5-6H%2C1-4H2, 0.0, 0.0 0.0, 0.176776692271233, -0.195368334650993, 4.0, 1.0, 0.0, 0.0 0.0, 0.0, 0.228310003876686, 0.0, 0.0, 0.0 0.0, -0.0316665060818195, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 22.0, 54.0, 0.0 0.0, 0.0, 0.16666667163372, 0.0, 0.0, 0.0 0.0, 0.0, 0.666666686534882, 0.0, 7.0, 0.0, 0.0, 0.0 0.0, 0.0, 6.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 2.0, 0.0, 0.0, 4.13110256195068, 0.0, 2.209805727005, 0.0, , 0.0, 0.0, 0.0, 1.05958604812622, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.471249312162399, 0.0, 0.0, 0.0, 0.231161519885063, 0.0, 0.0, 0.0, 0.0912870913743973, 0.0, 0.0, 0.0, 0.0, 0.020412415266037, 0.0, 49.689998626709, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.32340717315674, 0.0, 0.0, 7.32836771011353, 0.0, 0.0, 56.0, 0.0, 170.66926574707, 0.0, 0.0, 6.32836771011353, 0.0, 154.852432250977, 0.0, 0.0, 5.54893827438354, 0.0, 0.0, 0.0, 0.0, 0.0, 127.578620910645, 3.66418385505676, 3.80735492706299, 4.0, 96.8373794555664, 0.0, 214.029998779297, 0.0, 66.9539566040039, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.5355339050293, 0.0, 0.0, 0.5, 3.41421365737915, 0.0, 0.0, 0.0, 0.0, 0.0, 2.06066012382507, 0.0, 0.0, 2.94168281555176, 0.0, 1.20710682868958, 0.0, 0.0, 0.0, 0.0, 0.676776707172394, 0.0, 0.0, 0.371823161840439, 0.0, 0.0, 0.0, 0.0, -0.141223073005676, 0.0, 0.353553384542465, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H11N5.ClH%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%3B%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29%3B1H%2Fb16-15%2B%3B, 0.0, 1.79343962669373 1.79343962669373, 1.78118598461151, -0.0752060934901237, 2.0, 0.0, 0.0, 2.44252419471741 2.44252419471741, 0.973315417766571, -0.0189881194382906, 0.0, 0.0, 2.95225691795349 2.95225691795349, 0.0362180881202221, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 78.0, -359738400.0, 0.627356469631195 0.627356469631195, 0.0, 0.0, 0.0, 0.0, 0.695948123931885 0.695948123931885, 0.0, 0.0, 0.0, 15.0588235855103, 0.0, 0.0, 0.71141517162323 0.71141517162323, 0.0, 7.43801641464233, 0.0, 0.0, 0.0, 0.0, 4.63905334472656, 0.170103460550308, 0.0, 0.0, 0.0, 0.256364077329636, 10.1521873474121, 0.0737416818737984, 5.30963277816772, 0.0778678804636002, , 2.18224716186523, 0.36455824971199, 1.0, 3.80571627616882, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.52325201034546, 0.0, 0.0304290316998959, 0.0, 1.60636961460114, 0.0, 0.0, 0.0, 1.03550899028778, 0.0, 0.0, 0.0, 0.0, 0.420228838920593, 0.0, 86.620002746582, 0.25, 0.175596728920937, 0.0, 1.78549027442932, 0.0, 0.0, 0.0, 0.0, 26.5126934051514, 0.0, 0.0, 18.3570995330811, 0.0, 0.0, 16000000000.0, 0.0, 906.690979003906, 1.0, 0.0, 24.3818283081055, 0.0, 1001.50677490234, 0.0, 0.0, 22.7141990661621, 0.0, 0.0, 0.0, 0.0, 0.0, 1271.64916992188, 16.2432613372803, 5.08746290206909, 20.0, 1126.97546386719, 0.0, 817.059997558594, 0.0, 779.963806152344, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 1.31037068367004, 0.0, 0.0, 0.0, 9.0, 0.0, 11.3804693222046, 0.0, 0.0, 0.999000012874603, 7.75402021408081, 0.0, 1.0, 0.0, 0.89516818523407, 2.0, 6.73697376251221, 2.0, 0.0, 6.93297576904297, 0.0, 5.2795991897583, 0.117851130664349, 7.89757919311523, 0.0, 0.0, 4.08253812789917, 5.0, 0.0, 0.224849924445152, 0.0, 0.0, 0.0, 0.0, -0.0559251755475998, 0.0, 3.06923675537109, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H6N2S%2Fc1-6-3-2-5-4%286%297%2Fh2-3H%2C1H3%2C%28H%2C5%2C7%29, 0.0, 1.13807117938995 1.13807117938995, 0.117851130664349, 0.0878226011991501, 0.0, 0.0, 0.0, 1.04044008255005 1.04044008255005, 0.0, -0.0210218951106071, 0.0, 0.0, 0.471404522657394 0.471404522657394, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 32.0, 36.0, 0.594559133052826 0.594559133052826, 0.0, 0.0, 0.0, 0.0, 0.411623746156693 0.411623746156693, 0.0, 0.0, 0.0, 5.14285707473755, 0.0, 0.0, 0.178885444998741 0.178885444998741, 0.0, 1.85185182094574, 0.117851130664349, 0.0, 0.0, 0.0, 0.959999978542328, 0.235702261328697, 0.0333333350718021, 0.0, 0.0, 0.117851130664349, 4.89076852798462, 0.0780546963214874, 2.41497874259949, 0.0447213612496853, , 0.0, 0.263263523578644, 0.0, 1.73814702033997, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.22668921947479, 0.0, 0.0774596706032753, 0.0, 0.491068363189697, 1.0, 0.0, 0.0, 0.156109392642975, 0.0, 0.0, 0.0, 0.0, 0.0447213612496853, 0.0, 56.6199989318848, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.847728729248, 0.0, 0.0, 9.50071144104004, 0.0, 0.0, 40.0, 0.0, 345.608642578125, 0.0, 0.0, 13.9192867279053, 0.816496610641479, 367.143646240234, 0.0, 0.0, 10.1755409240723, 0.0, 0.0, 0.0, 0.0, 0.5, 446.153167724609, 0.0, 3.80735492706299, 5.0, 202.222763061523, 1.0, 127.029998779297, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.5, 0.0, 0.0, 5.27602100372314, 0.0, 0.0, 0.333333343267441, 3.30453038215637, 0.0, 0.0, 0.0, 0.471404522657394, 0.0, 2.88547134399414, 0.0, 0.0, 1.0, 0.0, 2.29033637046814, 0.16666667163372, 1.0, 2.0, 0.0, 1.33083724975586, 2.0, 1.0, 0.166126951575279, 0.0, 0.0, 0.0, 0.0, -0.149864181876183, 0.0, 0.471404522657394, 0.0, 0.0, 0.0
-InChI%3D1S%2FH4N2%2Fc1-2%2Fh1-2H2, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 2.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.15470051765442, 0.0, 0.333333343267441, 0.0, , 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 52.0400009155273, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.71997618675232, 0.0, 0.0, 1.35998809337616, 0.0, 0.0, 1.0, 0.0, 22.4316024780273, 0.0, 0.0, 0.0, 0.0, 11.2158012390137, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 23.0200004577637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296, 0.0, 1.33333337306976 1.33333337306976, 0.0, -0.1672533005476, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.111502200365067, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 22.0, 24.0, 0.0539949238300323 0.0539949238300323, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.22222232818604, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.5118579864502, 0.0, 1.0059289932251, 0.0, , 1.0, 0.0714285746216774, 0.0, 0.520821630954742, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.142857149243355, 0.0, 0.00510204071179032, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0081768035889, 0.0, 0.0, 7.32714033126831, 0.0, 0.0, 29.0, 0.0, 55.0831069946289, 2.0, 0.0, 11.3312282562256, 0.0, 52.2674255371094, 0.0, 0.0, 10.0081768035889, 0.0, 0.0, 0.0, 0.0, 0.0, 53.1347694396973, 0.0, 3.58496260643005, 4.0, 28.408899307251, 0.0, 5.03999996185303, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.154700756073, 0.0, 0.0, 0.333333343267441, 2.64273452758789, 0.0, 0.0, 0.0, 0.666666686534882, 0.0, 2.48803377151489, 0.0, 0.0, 0.0, 0.0, 1.33333337306976, 0.333333343267441, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.3345066010952, 0.0, 0.0, 0.0, 0.0, -0.111502200365067, 0.0, 0.0, 0.0, 4.0, 0.0
-InChI%3D1S%2FC14H15N3%2Fc1-17%282%2914-10-8-13%289-11-14%2916-15-12-6-4-3-5-7-12%2Fh3-11H%2C1-2H3%2Fb16-15%2B, 0.0, 1.90646553039551 1.90646553039551, 1.94663918018341, -0.0466382242739201, 0.0, 0.0, 0.0, 2.17398381233215 2.17398381233215, 1.24664199352264, -0.01195446588099, 0.0, 0.0, 2.34318876266479 2.34318876266479, -0.0282172840088606, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 82.0, 305.0, 0.732135653495789 0.732135653495789, 0.0, 0.0, 0.0, 0.0, 0.641809463500977 0.641809463500977, 0.0, 0.0, 0.0, 13.4320983886719, 0.0, 0.0, 0.560363829135895 0.560363829135895, 0.0, 6.80529308319092, 0.0, 0.0, 0.0, 0.0, 4.30178308486938, 0.185395404696465, 0.0, 0.0, 0.0, 0.179206877946854, 10.0377931594849, 0.0598527938127518, 5.49729824066162, 0.0391895808279514, , 0.793700516223907, 0.447213590145111, 0.0, 3.94637417793274, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.40324068069458, 0.0, 0.0745356008410454, 0.0, 1.42757225036621, 2.0, 0.0, 0.0, 0.882434666156769, 0.0, 0.0, 0.0, 0.0, 0.400378197431564, 0.0, 27.9599990844727, 0.0, 0.195322379469872, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.079963684082, 0.0, 0.0, 19.1909141540527, 0.0, 0.0, 606.0, 0.5, 958.616821289062, 0.0, 0.0, 24.3294811248779, 2.92057275772095, 1057.57214355469, 0.0, 0.0, 22.6618518829346, 0.0, 0.0, 0.0, 0.0, 1.39247667789459, 1328.20788574219, 16.1632976531982, 5.08746290206909, 21.0, 1187.27197265625, 0.0, 817.030029296875, 0.0, 847.483947753906, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.365148365497589, 12.0, 0.0, 12.0875759124756, 0.0, 0.0, 0.454545468091965, 8.25401973724365, 0.0, 0.0, 0.0, 0.90824830532074, 2.0, 7.10620880126953, 0.0, 0.0, 10.268575668335, 0.0, 5.54212856292725, 0.16666667163372, 9.12838077545166, 0.0, 0.0, 4.09079313278198, 9.0, 0.0, 0.194113105535507, 0.0, 0.0, 0.0, 0.0, -0.0597707368433475, 1.0, 3.1776864528656, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3, , 1.04044008255005 1.04044008255005, 0.451184451580048, 0.0101056341081858, 0.0, , , 1.05473780632019 1.05473780632019, 0.235702261328697, 0.00502008385956287, , , 1.04044008255005 1.04044008255005, 0.000470615632366389, , 0.0, 0.666666686534882, , , , 40.0, 69.0, 0.493336379528046 0.493336379528046, , 0.0, , 0.0, 0.395739376544952 0.395739376544952, 0.0, 0.0, , 7.11111116409302, 0.0, , 0.328890919685364 0.328890919685364, 0.0, 3.23966932296753, 0.0, 0.0, , 0.0, 2.0, 0.102062076330185, 0.0, , 0.0, 0.0589255653321743, 5.83396482467651, 0.0320750139653683, 3.02871751785278, 0.0143443830311298, , 0.0, 0.298142403364182, 0.0, 2.22997641563416, 0.0, 0.0, , 0.0, , 0.0, 1.27259135246277, 0.0, 0.0745356008410454, , 0.72613650560379, 2.0, 0.0, , 0.414273083209991, , , , 0.0, 0.128069564700127, , 3.24000000953674, 0.0, 0.0573775321245193, , 0.0, 0.0, 0.0, , 0.0, 9.35998821258545, 0.0, , 9.49855613708496, 0.0, , 88.0, 0.5, 452.774993896484, 0.0, 0.0, 11.3323707580566, 2.68246150016785, 480.069946289062, 0.0, 0.0, 9.33237075805664, 0.0, , , , 1.0, 570.351928710938, 5.16618537902832, 4.16992521286011, 9.0, 441.315216064453, , 328.010009765625, 0.0, 213.384414672852, 1.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 6.69023466110229, , , 0.400000005960464, 4.30453062057495, 0.0, , , 0.5, , 3.6421070098877, 0.0, 0.0, 6.08364343643188, , 2.59263896942139, 0.16666667163372, 3.04182171821594, , , 1.80083346366882, 5.0, , 0.0936712920665741, 0.0, 0.0, , , -0.062448363751173, , 1.25044357776642, , , 0.0
-InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H, , 2.00613451004028 2.00613451004028, 0.69780433177948, -0.0815110579133034, 0.0, , , 2.69851565361023 2.69851565361023, 0.111111111938953, -0.0452231466770172, , , 3.27736973762512 3.27736973762512, 0.00426270300522447, , 0.0, 0.666666686534882, , , , 48.0, 76.0, 0.854016959667206 0.854016959667206, , 0.0, , 0.0, 1.26715743541718 1.26715743541718, 0.0, 0.0, , 8.10000038146973, 0.0, , 1.17672204971313 1.17672204971313, 0.0, 2.93877553939819, 0.0, 0.0, , 0.0, 1.75, 0.0555555559694767, 0.0, , 0.0, 0.222222223877907, 7.00359439849854, 0.020833333954215, 3.57914757728577, 0.0801852867007256, , 3.53277564048767, 0.572210788726807, 0.0, 2.9688777923584, 0.0, 0.0, , 0.0, , 0.0, 1.77611458301544, 0.0, 0.0731925070285797, , 1.35156226158142, 0.0, 0.0, , 0.493614852428436, , , , 0.0, 0.306730449199677, , 20.2299995422363, 0.0, 0.0211288556456566, , 0.0, 0.0, 0.0, , 0.0, 33.9127311706543, 0.0, , 16.1873035430908, 0.0, , 110.0, 0.0, 646.325500488281, 0.0, 0.0, 26.3746089935303, 0.0, 719.2841796875, 0.0, 0.0, 31.2385787963867, 0.0, , , , 0.0, 932.21142578125, 36.3255653381348, 4.32192802429199, 13.0, 777.693481445312, , 79.0400009155273, 0.0, 346.188537597656, 4.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 7.72361469268799, , , 0.400000005960464, 4.60906076431274, 0.0, 0.0, , 0.952529728412628, , 4.39026069641113, 0.0, 0.0, 0.5, , 3.34344482421875, 0.272165536880493, 5.11154460906982, , , 2.35571956634521, 2.0, , 0.224122390151024, 0.0, 0.0, , , -0.0252691581845284, , 1.30466866493225, , , 0.0
-InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2, 0.0, 1.98881256580353 1.98881256580353, 1.75920295715332, 0.0898971930146217, 1.0, 2.0, 0.0, 2.75419497489929 2.75419497489929, 1.22914946079254, 0.0134991547092795, 0.0, 0.0, 3.0659646987915 3.0659646987915, -0.0709564462304115, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 66.0, 151.0, 0.603998422622681 0.603998422622681, 0.0, 0.0, 0.0, 0.0, 0.697288453578949 0.697288453578949, 0.0, 0.365148365497589, 0.0, 9.55102062225342, 0.0, 0.0, 0.635595858097076 0.635595858097076, 0.0, 4.02216053009033, 0.117851130664349, 0.0, 0.0, 0.0, 1.91999995708466, 0.234708055853844, 0.0294627826660872, 1.0, 0.0, 0.301472395658493, 7.06467485427856, 0.0580769516527653, 4.01208829879761, 0.061677772551775, , 2.94168281555176, 0.288611769676208, 0.0, 2.79323816299438, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.96140730381012, 0.0, 0.0387340895831585, 0.0, 1.23318195343018, 0.0, 0.0, 0.0, 0.724303960800171, 0.0, 0.0, 0.0, 1.0, 0.392604529857635, 0.0, 38.689998626709, 0.0, 0.21534937620163, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 15.3234071731567, 1.0, 0.0, 15.6604595184326, 0.5, 0.0, 241.0, 0.0, 673.000671386719, 0.0, 0.0, 21.7670211791992, 1.41036784648895, 770.127380371094, 0.0, 0.0, 19.3246440887451, 0.0, 0.0, 0.0, 0.0, 1.09204828739166, 1032.09631347656, 13.6604595184326, 4.70043992996216, 17.0, 884.0751953125, 0.0, 420.029998779297, 0.0, 593.815002441406, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 6.0, 0.0, 9.25914859771729, 0.0, 0.0, 0.428571432828903, 6.30886173248291, 1.0, 0.0, 0.0, 0.735702276229858, 0.0, 5.40972709655762, 1.0, 0.0, 3.41278743743896, 0.0, 4.77893209457397, 0.201184466481209, 9.72190475463867, 0.0, 0.0, 3.5890052318573, 3.0, 0.0, 0.423907697200775, 0.0, 0.0, 0.0, 0.0, -0.284491837024689, 0.0, 2.52724933624268, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, 0.0, 1.62954914569855 1.62954914569855, 1.65425360202789, -0.00603343173861504, 0.0, 0.0, 0.0, 1.96420383453369 1.96420383453369, 1.06531405448914, -0.00597999105229974, 0.0, 0.0, 2.76322031021118 2.76322031021118, -0.0344064123928547, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 74.0, 240.0, 0.897750914096832 0.897750914096832, 0.0, 0.0, 0.0, 0.0, 1.01845073699951 1.01845073699951, 0.0, 0.0, 1.0, 11.484375, 0.0, 0.0, 1.23275125026703 1.23275125026703, 0.0, 5.36507940292358, 0.0, 0.0, 0.0, 0.0, 3.5, 0.16666667163372, 0.0, 0.0, 0.0, 0.284517794847488, 8.99824714660645, 0.0555555559694767, 5.44482946395874, 0.100116394460201, , 1.53261888027191, 0.600698351860046, 2.0, 4.38706636428833, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.01163721084595, 0.0, 0.0, 0.0, 2.02431726455688, 0.0, 0.0, 0.0, 1.59137761592865, 0.0, 0.0, 0.0, 0.0, 0.807720065116882, 0.0, 77.3399963378906, 0.100000001490116, 0.476289659738541, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.847728729248, 0.0, 0.0, 19.6719417572021, 0.0, 0.0, 404.0, 0.0, 1104.96435546875, 0.0, 0.0, 28.3438816070557, 0.0, 1239.86193847656, 0.0, 0.0, 25.3438816070557, 0.0, 0.0, 0.0, 0.0, 0.0, 1581.14050292969, 15.6719408035278, 4.90689039230347, 18.0, 1375.40869140625, 0.0, 574.030029296875, 0.0, 951.536987304688, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 10.6733617782593, 0.0, 0.0, 0.5, 7.23718357086182, 0.0, 0.0, 0.0, 0.985598564147949, 0.0, 6.48749780654907, 0.0, 0.0, 8.69190216064453, 0.0, 4.93752384185791, 0.0, 12.3619976043701, 0.0, 0.0, 3.60103964805603, 8.0, 0.0, 0.0795257166028023, 0.0, 0.0, 0.0, 0.0, -0.0273062065243721, 0.0, 3.21497464179993, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H7N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2H%2C1%2C3H2%2C%28H2%2C5%2C8%29, , 1.08925569057465 1.08925569057465, 0.0, 0.100237868726254, 1.0, 0.0, 0.0, 1.20710682868958 1.20710682868958, 0.0, -0.10156112164259, , 0.0, 0.804737865924835 0.804737865924835, 0.0342602729797363, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 63.0, 0.19438648223877 0.19438648223877, 0.0, 0.25, 0.0, 0.0, 0.141088843345642 0.141088843345642, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0691462531685829 0.0691462531685829, 0.0, 4.83950614929199, 0.0, 0.0, 0.0, 0.0, 3.55555558204651, 0.0, 0.0, 1.0, 0.0, 0.0, 4.74145269393921, 0.0, 2.21251201629639, 0.0, , 0.0, 0.120710678398609, 0.0, 1.27604103088379, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.645085036754608, 0.0, 0.0158113874495029, , 0.280756294727325, 0.0, 0.0, 0.0, 0.0847126021981239, 0.0, 0.0, , 1.0, 0.0, 0.0, 76.75, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 11.6289024353027, 0.0, 0.0, 9.74410152435303, 0.0, , 96.0, 0.0, 299.018615722656, 1.0, 0.0, 11.5189418792725, 1.41421353816986, 298.062164306641, 0.0, 0.0, 11.4082860946655, 0.0, 0.0, 0.0, 0.0, 0.25, 318.690551757812, 9.32448959350586, 4.16992521286011, 9.0, 274.158325195312, 0.0, 153.050003051758, 0.0, 172.440216064453, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, , 1.0, 0.0, , 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 7.27602100372314, , , 0.400000005960464, 4.21874380111694, 1.0, 0.0, 0.0, 0.5, 1.0, 3.20102000236511, 0.0, 0.0, 1.0, 0.0, 2.12665247917175, 0.16666667163372, 0.816496610641479, 0.0, 0.0, 1.37965285778046, 0.0, 0.0, 0.163310885429382, 0.0, 0.0, 0.0, 1.0, -0.115903973579407, 1.0, 0.537457466125488, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H7F3N2O%2Fc1-2-9%288-10%293-4%285%2C6%297%2Fh2-3H2%2C1H3, , 1.12268280982971 1.12268280982971, 0.0, -0.0284761376678944, 2.0, 0.0, 0.0, 1.78458404541016 1.78458404541016, 0.0, 0.0863198786973953, , 0.0, 2.07325911521912 2.07325911521912, -0.113425940275192, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 42.0, 72.0, 0.258587926626205 0.258587926626205, , 0.0, 0.0, 0.0, 0.254689574241638 0.254689574241638, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.171411111950874 0.171411111950874, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 5.53086423873901, 0.0, 0.0, 0.0, 0.0, 0.0, 5.35078239440918, 0.0, 2.64263653755188, 0.0, , 0.0, 0.278520345687866, 0.0, 1.67761838436127, 0.0, 0.0, , 0.0190900880843401, , 0.0, 0.842296600341797, 0.0, 0.0, , 0.405357450246811, 1.0, 0.0, 0.0, 0.159505814313889, , , , 0.0, 0.0, , 32.6699981689453, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 16.0005779266357, 0.0, , 11.9911794662476, 0.0, , 126.0, 0.0, 236.260955810547, 0.0, 0.0, 19.4696941375732, 1.15470051765442, 240.695129394531, 1.0, 0.0, 12.530517578125, 0.0, 0.0, 0.0, , 0.0, 275.309051513672, 13.9435024261475, 4.32192802429199, 9.0, 212.915939331055, 0.0, 166.059997558594, 0.25, 159.336212158203, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 8.19867038726807, , , 0.400000005960464, 4.49251174926758, 0.0, 0.0, 0.0, 1.76478433609009, 1.0, 4.44730615615845, 0.0, 0.353553384542465, 0.5, , 2.05574822425842, 0.0, 0.0, 0.0, 0.0, 1.44337570667267, 0.0, 0.0, 0.343220502138138, 0.0, 1.15470051765442, 0.0, 1.0, -0.170959129929543, 1.0, 0.866025388240814, 0.0, 3.0, 0.0
-InChI%3D1S%2FC9H13N.ClH%2Fc1-6-4-8%283%299%2810%295-7%286%292%3B%2Fh4-5H%2C10H2%2C1-3H3%3B1H, 0.0, 2.15380668640137 2.15380668640137, 0.601579308509827, -0.00417235027998686, 0.0, 0.0, 0.0, 2.17273211479187 2.17273211479187, 0.111111111938953, -0.0005054249195382, 0.0, 0.0, 3.37359476089478 3.37359476089478, -1.71348910953384e-05, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 48.0, -1474836480.0, 1.01162731647491 1.01162731647491, 0.0, 0.0, 0.0, 0.0, 0.882540822029114 0.882540822029114, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 1.17420744895935 1.17420744895935, 0.0, 4.13265323638916, 0.0, 0.0, 0.0, 0.0, 2.5, 0.0555555559694767, 0.0, 0.0, 0.0, 0.222222223877907, 7.95679569244385, 0.020833333954215, 3.44337558746338, 0.0745281279087067, , 3.30192732810974, 0.516346037387848, 1.0, 2.79305505752563, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.88237142562866, 0.0, 0.131445854902267, 0.0, 0.982852399349213, 3.0, 0.0, 0.0, 0.630813658237457, 0.0, 0.0, 0.0, 0.0, 0.205973982810974, 0.0, 26.0200004577637, 0.0, 0.0328614637255669, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.0727424621582, 3.0, 0.0, 10.1661853790283, 0.0, 0.0, 10000000000.0, 0.766309440135956, 582.732971191406, 0.0, 0.0, 14.3323707580566, 2.44948983192444, 632.276123046875, 0.0, 0.0, 13.498556137085, 0.0, 0.0, 0.0, 0.0, 5.42161178588867, 832.702697753906, 6.33237028121948, 4.45943164825439, 13.0, 699.80517578125, 0.0, 466.019989013672, 0.0, 288.913543701172, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 7.72361469268799, 0.0, 0.0, 0.999000012874603, 4.60906076431274, 0.0, 0.0, 0.0, 0.942809045314789, 0.0, 4.380539894104, 0.0, 0.0, 0.333333343267441, 0.0, 3.42994904518127, 0.333333343267441, 5.65685415267944, 0.0, 0.0, 2.10210156440735, 2.0, 0.0, 0.0269169583916664, 0.0, 0.0, 0.0, 0.0, -0.0087634464725852, 0.0, 1.57683420181274, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H10O2%2Fc1-2-4-8%285-3-1%2910-6-9-7-11-9%2Fh1-5%2C9H%2C6-7H2, 0.0, 0.577350258827209 0.577350258827209, 0.877930760383606, -0.0912750735878944, 2.0, 2.0, 0.0, 0.676977038383484 0.676977038383484, 0.518728733062744, 0.090378537774086, 0.0, 0.0, 0.786566078662872 0.786566078662872, -0.008987239561975, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 54.0, 134.0, 0.174792468547821 0.174792468547821, 0.0, 0.0, 0.0, 0.288675129413605, 0.175430983304977 0.175430983304977, 0.16666667163372, 0.0, 0.0, 7.63888883590698, 0.20412415266037, 0.0, 0.175288170576096 0.175288170576096, 0.0, 3.59999990463257, 0.0, 0.0, 0.0, 0.117851130664349, 2.5, 0.185395404696465, 0.0, 0.0, 0.0, 0.19001992046833, 6.19481182098389, 0.0561312772333622, 3.74435687065125, 0.0408723466098309, , 0.333333343267441, 0.185892507433891, 0.0, 2.57939863204956, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.41479992866516, 0.0, 0.0, 0.0, 0.802116632461548, 0.0, 0.0, 0.0, 0.504359722137451, 0.0, 0.0, 0.0, 0.0, 0.207858890295029, 0.0, 21.7600002288818, 0.0, 0.104887083172798, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.5489377975464, 0.0, 0.0, 13.3283681869507, 0.333333343267441, 0.0, 173.0, 0.0, 466.648834228516, 0.0, 0.0, 13.3283681869507, 0.0, 513.386840820312, 0.0, 0.0, 11.7707452774048, 0.0, 0.0, 0.0, 0.0, 0.0, 542.556518554688, 7.66418409347534, 4.45943164825439, 10.0, 442.55859375, 0.0, 374.019989013672, 0.0, 295.777954101562, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 7.51866149902344, 0.0, 0.0, 0.428571432828903, 5.44948959350586, 0.0, 0.0, 0.0, 0.40824830532074, 0.0, 4.52476167678833, 1.0, 0.0, 7.72895765304565, 0.0, 3.11615633964539, 0.0, 5.79553556442261, 0.0, 0.0, 2.23589444160461, 5.0, 0.0, 0.352454751729965, 0.0, 0.0, 0.0, 0.0, -0.156075268983841, 0.0, 1.68728744983673, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H11NO2%2Fc1-15-13-6-9-8-4-2-3-5-11%288%2916-12%289%297-10%2813%2914%2Fh2-7H%2C14H2%2C1H3, 0.0, 2.76078176498413 2.76078176498413, 3.25279593467712, -0.0491402111947536, 0.0, 1.0, 0.0, 4.59651517868042 4.59651517868042, 2.38261365890503, 0.00765808112919331, 0.0, 0.0, 6.3794322013855 6.3794322013855, -0.0284973066300154, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 88.0, 213.0, 0.905117690563202 0.905117690563202, 0.0, 0.0, 0.0, 0.0, 1.25446748733521 1.25446748733521, 0.0, 0.0, 0.0, 11.1111106872559, 0.0, 0.0, 1.41781961917877 1.41781961917877, 0.0, 4.34911251068115, 0.0785674229264259, 0.0, 0.0, 0.0, 1.86121261119843, 0.361111104488373, 0.0255155190825462, 0.0, 0.0, 0.651655793190002, 8.85794830322266, 0.107536673545837, 5.04134654998779, 0.147457033395767, , 7.24288654327393, 0.404447585344315, 1.0, 3.6885392665863, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.72906351089478, 4.0, 0.0744958817958832, 0.0, 1.9439845085144, 1.0, 0.0, 0.0, 1.31831133365631, 0.0, 0.0, 0.0, 0.0, 0.753535509109497, 0.0, 48.3899993896484, 0.0, 0.449220389127731, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.9089260101318, 2.0, 0.0, 19.4945526123047, 0.200000002980232, 0.0, 401.0, 0.0, 1019.83160400391, 0.0, 0.0, 28.3249225616455, 1.08738040924072, 1224.87390136719, 0.0, 0.0, 28.8783874511719, 0.0, 0.0, 0.0, 0.0, 1.53261888027191, 1790.53271484375, 22.214204788208, 5.0, 26.0, 1682.60229492188, 0.0, 601.030029296875, 0.0, 1219.46826171875, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 11.1209554672241, 0.0, 0.0, 0.5, 7.79202508926392, 0.0, 0.0, 0.0, 1.00786781311035, 0.0, 6.98504400253296, 0.0, 0.0, 5.49776697158813, 0.0, 6.30737686157227, 0.309489458799362, 13.9315013885498, 0.0, 0.0, 5.46507549285889, 6.0, 0.0, 0.366346627473831, 0.0, 0.0, 1.0, 0.0, -0.161314725875854, 0.0, 4.4603009223938, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3, , 0.40824830532074 0.40824830532074, 0.0, 0.0393256060779095, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, -0.0309791192412376, , 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.0816496610641479 0.0816496610641479, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.30267548561096, 0.0, 1.27700138092041, 0.0, , 0.0, 0.200000002980232, 0.0, 0.928863227367401, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.163299322128296, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 32.6699981689453, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.49444532394409, 0.0, 0.0, 5.24582433700562, 0.0, 0.0, 18.0, 0.5, 103.42862701416, 0.0, 0.0, 4.88583660125732, 0.0, 89.8000946044922, 0.0, 0.0, 2.66418385505676, 0.0, 0.0, 0.0, 0.0, 0.0, 79.2500381469727, 0.0, 3.32192802429199, 2.0, 27.2843933105469, 0.0, 80.0299987792969, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 0.0, 0.0, 0.0, 0.40824830532074, 1.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0653609186410904, 0.0, 0.0, 0.0, 1.0, -0.041026946157217, 1.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC18H18Cl2N2O3%2Fc1-24-15-7-6-11%288-16%2815%2925-12-4-2-3-5-12%2918%2823%2922-17-13%2819%299-21-10-14%2817%2920%2Fh6-10%2C12H%2C2-5H2%2C1H3%2C%28H%2C21%2C22%2C23%29, 0.0, 3.80492401123047 3.80492401123047, 3.62571668624878, -0.169169694185257, 6.0, 2.0, 2.0, 5.63974189758301 5.63974189758301, 2.42630624771118, 0.275999039411545, 0.0, 0.0, 7.31143283843994 7.31143283843994, -0.284305781126022, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 128.0, 506.0, 1.75221383571625 1.75221383571625, 0.0, 0.0, 0.0, 0.0, 2.43548846244812 2.43548846244812, 0.0, 0.365148365497589, 0.0, 19.7530860900879, 0.0, 0.0, 2.45727324485779 2.45727324485779, 0.0, 9.27392292022705, 0.144337564706802, 0.0, 0.0, 0.0, 5.04166650772095, 0.23814482986927, 0.144337564706802, 0.0, 0.0, 0.378629595041275, 15.6464872360229, 0.124648496508598, 9.41832828521729, 0.174257785081863, , 8.46354866027832, 0.902124762535095, 0.0, 7.37874698638916, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.28177499771118, 0.0, 0.148626267910004, 0.0, 3.83609008789062, 1.0, 0.0, 0.0, 1.99297702312469, 0.0, 0.0, 0.0, 0.0, 1.20165264606476, 0.0, 59.9199981689453, 0.0, 0.592748403549194, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 43.4688911437988, 1.0, 0.0, 33.2286758422852, 0.333333343267441, 0.0, 1567.0, 0.0, 1696.92907714844, 2.0, 0.0, 48.5159873962402, 1.52930331230164, 1962.47912597656, 0.0, 0.0, 55.266788482666, 0.0, 0.0, 0.0, 0.0, 1.52181828022003, 2656.654296875, 53.2008895874023, 5.64385604858398, 37.0, 2578.22412109375, 0.0, 1801.06994628906, 0.0, 2272.59008789062, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.25, 1.0, 0.0, 0.0, 12.0, 0.0, 17.8111896514893, 0.0, 0.0, 0.5, 12.0797185897827, 0.0, 1.0, 0.0, 1.54731369018555, 1.0, 10.6500368118286, 3.0, 0.0, 7.87924528121948, 0.0, 9.04504299163818, 0.393634557723999, 17.9404563903809, 0.0, 0.0, 7.21736097335815, 3.0, 0.0, 0.715682983398438, 0.0, 0.0, 0.0, 1.0, -0.315330684185028, 0.0, 5.20992040634155, 0.0, 0.0, 0.0
-InChI%3D1S%2FC14H19N3S.ClH%2Fc1-16%282%299-10-17%2812-13-6-5-11-18-13%2914-7-3-4-8-15-14%3B%2Fh3-8%2C11H%2C9-10%2C12H2%2C1-2H3%3B1H, 0.0, 1.6163843870163 1.6163843870163, 2.00300645828247, 0.0282729715108871, 3.0, 0.0, 0.0, 2.26718401908875 2.26718401908875, 1.48198068141937, 0.108549885451794, 0.0, 0.0, 2.79239320755005 2.79239320755005, -0.159383028745651, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 1.0, 86.0, -654705728.0, 1.02191007137299 1.02191007137299, 0.0, 0.0, 0.0, 0.0, 1.19538700580597 1.19538700580597, 0.0, 0.0, 0.0, 17.0526313781738, 0.0, 0.0, 1.25268280506134 1.25268280506134, 0.333333343267441, 9.03125, 0.144337564706802, 0.0, 0.0, 0.0, 5.87755107879639, 0.20412415266037, 0.117851130664349, 0.0, 0.0, 0.117851130664349, 12.9539031982422, 0.108178533613682, 6.96557235717773, 0.04837891086936, , 0.333333343267441, 0.735766172409058, 0.0, 5.5243763923645, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.57835388183594, 0.0, 0.0288675129413605, 0.0, 2.44621133804321, 2.0, 0.0, 0.0, 1.49072480201721, 0.0, 0.0, 0.0, 0.0, 0.856203496456146, 0.0, 47.6100006103516, 0.0, 0.592931568622589, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 33.9204711914062, 0.0, 0.0, 23.6690521240234, 0.0, 0.0, 18000001024.0, 0.5, 1291.810546875, 0.0, 0.0, 30.366455078125, 3.55669260025024, 1432.28479003906, 0.0, 0.0, 23.4705638885498, 0.0, 0.0, 0.0, 0.0, 0.730296730995178, 1814.53527832031, 24.8352375030518, 5.24792766571045, 20.0, 1572.98400878906, 0.0, 1179.05004882812, 0.0, 1544.27368164062, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.63245552778244, 6.0, 0.0, 12.7946825027466, 0.0, 0.0, 0.999000012874603, 8.75401973724365, 0.0, 0.0, 0.0, 0.945705771446228, 0.0, 7.51555156707764, 0.0, 0.0, 12.4890584945679, 0.0, 5.54213190078735, 0.0833333358168602, 7.41553068161011, 1.0, 0.0, 4.37320184707642, 7.0, 0.0, 0.274166971445084, 0.0, 0.0, 0.0, 0.0, -0.192083209753036, 2.0, 3.15977072715759, 0.0, 0.0, 0.0
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-InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295, 0.0, 0.0 0.0, 0.0, 0.0526669770479202, 0.0, 0.0, 4.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 12.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 5.03557348251343, 0.0, 2.26778674125671, 0.0, , 0.0, 2.91572594642639, 0.0, 3.85714292526245, 0.0, 0.0, 0.0, 0.826530635356903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 35.8510131835938, 0.0, 0.0, 11.8069496154785, 0.0, 0.0, 16.0, 0.0, 300.538757324219, 0.0, 0.0, 52.2765197753906, 0.0, 288.931091308594, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 287.442962646484, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 4.03999996185303, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.5, 2.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.175556600093842, 0.0, 0.0, 0.0, 0.0, -0.140445277094841, 0.0, 0.0, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC7H8N2O%2Fc1-9%288-10%297-5-3-2-4-6-7%2Fh2-6H%2C1H3, 0.0, 1.08925569057465 1.08925569057465, 0.569035589694977, 0.0297068208456039, 0.0, 0.0, 0.0, 1.33925569057465 1.33925569057465, 0.319035589694977, -0.0211885459721088, 0.0, 0.0, 1.37377345561981 1.37377345561981, -0.00429599639028311, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 44.0, 90.0, 0.350230097770691 0.350230097770691, 0.0, 0.0, 0.0, 0.0, 0.326507300138474 0.326507300138474, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.262808501720428 0.262808501720428, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 2.28571438789368, 0.102062076330185, 0.0, 0.0, 0.0, 0.0589255653321743, 5.6894268989563, 0.0320750139653683, 2.9640781879425, 0.0143443830311298, , 0.0, 0.174535602331161, 0.0, 1.94080567359924, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.25233697891235, 0.0, 0.0333333350718021, 0.0, 0.690872430801392, 1.0, 0.0, 0.0, 0.393913358449936, 0.0, 0.0, 0.0, 0.0, 0.116314873099327, 0.0, 32.6699981689453, 0.0, 0.050590954720974, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.4944448471069, 0.0, 0.0, 11.2458248138428, 0.0, 0.0, 121.0, 0.0, 439.830200195312, 0.0, 0.0, 13.218207359314, 1.34123075008392, 473.59814453125, 0.0, 0.0, 12.3289251327515, 0.0, 0.0, 0.0, 0.0, 0.5, 565.819396972656, 8.16273975372314, 4.32192802429199, 11.0, 463.092803955078, 0.0, 234.029998779297, 0.0, 245.802047729492, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 6.0, 0.0, 7.39734125137329, 0.0, 0.0, 0.5, 4.8425350189209, 0.0, 0.0, 0.0, 0.402368932962418, 1.0, 3.78362226486206, 0.0, 0.0, 6.08364343643188, 0.0, 3.09851837158203, 0.117851130664349, 3.04182171821594, 0.0, 0.0, 2.03653573989868, 5.0, 0.0, 0.0594926923513412, 0.0, 0.0, 0.0, 1.0, -0.0335793755948544, 1.0, 1.41711032390594, 0.0, 0.0, 0.0
-InChI%3D1S%2FC21H28O5%2Fc1-19-7-5-13%2823%299-12%2819%293-4-14-15-6-8-21%2826%2C17%2825%2911-22%2920%2815%2C2%2910-16%2824%2918%2814%2919%2Fh5%2C7%2C9%2C14-16%2C18%2C22%2C24%2C26H%2C3-4%2C6%2C8%2C10-11H2%2C1-2H3%2Ft14%3F%2C15-%2C16-%2C18%2B%2C19-%2C20%3F%2C21-%2Fm0%2Fs1, 0.0, 8.85081577301025 8.85081577301025, 5.81146240234375, -0.193211480975151, 6.0, 0.0, 0.0, 15.5307750701904 15.5307750701904, 4.43084764480591, 0.0700110420584679, 0.0, 0.0, 23.1628379821777 23.1628379821777, 0.0207771603018045, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 154.0, 496.0, 5.72290229797363 5.72290229797363, 0.0, 1.6427845954895, 0.0, 0.0, 9.73078632354736 9.73078632354736, 0.0, 0.0, 0.0, 19.3222351074219, 0.0, 0.0, 13.3864507675171 13.3864507675171, 0.0, 6.25, 0.0721687823534012, 2.0, 0.0, 0.0, 2.48601984977722, 0.42502373456955, 0.0721687823534012, 3.0, 0.0, 1.11664521694183, 15.4422302246094, 0.33823236823082, 9.66062450408936, 0.772049725055695, , 6.86643552780151, 2.16621994972229, 0.0, 9.19195461273193, 0.0, 8.00386810302734, 0.0, 0.224923878908157, 0.0, 0.0, 8.25270652770996, 0.0, 1.0276038646698, 0.0, 6.91933345794678, 2.0, 0.272967100143433, 0.0, 5.22617816925049, 0.0, 0.0, 0.0, 0.0, 3.84146618843079, 0.0, 94.8300018310547, 0.0, 2.76368594169617, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 29.8723449707031, 4.0, 0.0, 30.6604595184326, 0.0, 0.0, 1425.0, 0.16666667163372, 2335.2333984375, 3.0, 0.0, 51.3209190368652, 4.4391918182373, 2967.90405273438, 3.0, 0.0, 64.8661346435547, 0.0, 0.0, 0.0, 0.0, 3.99719643592834, 4843.1376953125, 60.4200325012207, 5.70043992996216, 59.0, 5443.4951171875, 0.0, 2599.05004882812, 2.31898379325867, 4626.8662109375, 0.0, 0.0, 0.0, 0.0, 0.0, 1.10520946979523, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 6.0, 0.0, 18.9054126739502, 0.0, 0.0, 0.5, 12.1705045700073, 3.0, 0.0, 0.0, 3.17036509513855, 0.0, 12.3200855255127, 4.0, 0.321975260972977, 9.15236949920654, 0.0, 11.5402040481567, 1.78144609928131, 20.1967220306396, 0.0, 0.0, 9.71610736846924, 0.0, 0.0, 0.522666752338409, 0.55756676197052, 8.84229755401611, 0.0, 2.0, -0.116196513175964, 0.0, 7.81933259963989, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3, , 0.901047587394714 0.901047587394714, 0.686886727809906, 0.00146951584611088, 0.0, , , 0.937443673610687 0.937443673610687, 0.117851130664349, -0.00875858776271343, , , 1.06903564929962 1.06903564929962, -0.0671387538313866, , 0.0, 1.0, , , , 40.0, 77.0, 0.232675105333328 0.232675105333328, , 0.0, , 0.0, 0.208409935235977, 0.0, 0.200000002980232, , 7.11111116409302, 0.0, , 0.169471442699432, 0.0, 3.23966932296753, 0.0, 0.0, , 0.0, 2.0, 0.0833333358168602, 0.0, , 0.0, 0.142258897423744, 5.16486310958862, 0.0277777779847383, 2.65734648704529, 0.0237628296017647, , 0.333333343267441, 0.142576977610588, , 1.69802534580231, 0.0, 0.0, , 0.0, , 0.0, 1.0724231004715, 0.0, 0.0, , 0.58222097158432, 1.0, 0.0, , 0.347453951835632, , , , 0.0, 0.117238402366638, , 29.4599990844727, 0.0, 0.0226804614067078, , 0.0, 0.0, 0.0, , 0.0, 10.5489377975464, 0.0, , 9.99627590179443, 0.0, , 90.0, 0.0, 366.640869140625, 0.0, 0.0, 12.3283681869507, 1.15470051765442, 391.148651123047, 0.0, 0.0, 10.3283681869507, 0.0, , , , 0.63245552778244, 466.898284912109, 4.66418409347534, 4.16992521286011, 9.0, 352.550903320312, , 217.020004272461, 0.0, 137.953765869141, 2.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, , , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 6.69023466110229, , , 0.5, 4.3256983757019, 0.0, , , 0.492799282073975, , 3.53414583206177, 0.0, 0.0, 3.30192732810974, , 2.7127788066864, 0.0, 5.65685415267944, , , 1.73736357688904, 4.0, , 0.246773108839989, 0.0, 0.0, , , -0.11570879817009, , 1.37377345561981, , , 
-InChI%3D1S%2FC10H9N3O3%2Fc1-6-5-7%282%2912-10%2811-6%298-3-4-9%2816-8%2913%2814%2915%2Fh3-5H%2C1-2H3, 0.0, 2.56341147422791 2.56341147422791, 2.23499155044556, -0.102529749274254, 0.0, 0.0, 0.0, 3.68636012077332 3.68636012077332, 1.18882620334625, 0.265766769647598, 0.0, 0.0, 4.55300283432007 4.55300283432007, -0.218448951840401, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 82.0, 212.0, 0.610212504863739 0.610212504863739, 0.0, 0.5, 0.0, 0.0, 0.813741445541382 0.813741445541382, 0.0, 0.666666686534882, 0.0, 12.4567470550537, 0.0, 0.0, 0.76761931180954 0.76761931180954, 0.0, 5.10416650772095, 0.117851130664349, 0.0, 0.0, 0.0, 3.02972650527954, 0.20412415266037, 0.0340206921100616, 0.0, 0.0, 0.446958005428314, 8.79843616485596, 0.0466586165130138, 4.62946462631226, 0.071328766644001, , 3.95055055618286, 0.457096874713898, 0.0, 3.36930751800537, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.97442638874054, 0.0, 0.0205692183226347, 0.0, 1.382115483284, 2.0, 0.0, 0.0, 0.705025732517242, 0.0, 0.0, 0.0, 0.0, 0.401874363422394, 0.0, 84.7399978637695, 0.0, 0.175146132707596, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.4033718109131, 0.0, 0.0, 19.6020431518555, 0.0, 0.0, 443.0, 0.25, 784.321105957031, 0.0, 0.0, 28.5116806030273, 1.53261888027191, 903.4619140625, 0.0, 0.0, 25.3171653747559, 0.0, 0.0, 0.0, 0.0, 3.41278743743896, 1234.48657226562, 22.1558494567871, 5.0, 21.0, 1062.43762207031, 0.0, 436.059997558594, 0.0, 900.896728515625, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.400000005960464, 6.0, 0.0, 11.7067422866821, 0.0, 0.0, 0.5, 7.55855083465576, 0.0, 0.0, 0.0, 1.41068363189697, 0.0, 7.25475883483887, 0.0, 0.0, 0.965489387512207, 0.0, 5.33819723129272, 0.25, 6.12046384811401, 2.0, 0.0, 4.48048782348633, 3.0, 0.0, 0.378622680902481, 0.0, 0.0, 1.0, 2.0, -0.181241571903229, 0.0, 3.06155180931091, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3, 0.0, 2.12537145614624 2.12537145614624, 0.566452920436859, -0.0161879099905491, 0.0, 0.0, 0.0, 2.80400538444519 2.80400538444519, 0.111111111938953, 0.0387089774012566, 0.0, 0.0, 2.82290863990784 2.82290863990784, -0.00497913500294089, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 48.0, 75.0, 0.681834280490875 0.681834280490875, 0.0, 0.5, 0.0, 0.0, 0.65086829662323 0.65086829662323, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.472391486167908 0.472391486167908, 0.5, 2.93877553939819, 0.0962250456213951, 0.0, 0.0, 0.0, 1.55017304420471, 0.248005643486977, 0.0288675129413605, 0.0, 0.0, 0.318447262048721, 5.73548746109009, 0.0706449747085571, 2.7536633014679, 0.0652283281087875, , 0.5, 0.306806236505508, 0.0, 1.97973811626434, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.38297247886658, 0.0, 0.0884900167584419, 0.0, 0.65975022315979, 2.0, 0.0, 0.0, 0.252809941768646, 0.0, 0.0, 0.0, 0.0, 0.0864295363426208, 0.0, 63.6399993896484, 0.0, 0.0105409258976579, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.6289024353027, 0.0, 0.0, 12.1040439605713, 0.0, 0.0, 112.0, 0.333333343267441, 393.573913574219, 0.0, 0.0, 16.9895553588867, 0.666666686534882, 440.985931396484, 0.0, 0.0, 14.62965965271, 0.0, 0.0, 0.0, 0.0, 2.14913988113403, 589.127807617188, 9.60148525238037, 4.32192802429199, 12.0, 414.143920898438, 0.0, 199.050003051758, 0.0, 175.712432861328, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.0, 7.72361469268799, 0.0, 0.0, 0.400000005960464, 4.6258978843689, 0.0, 0.0, 0.0, 0.897568464279175, 0.0, 4.32162237167358, 0.0, 0.0, 0.0, 0.0, 3.38456106185913, 0.350732952356339, 1.41421353816986, 1.0, 0.0, 2.34356737136841, 1.0, 1.0, 0.238238349556923, 0.0, 0.0, 0.0, 2.0, -0.126929774880409, 0.0, 1.16404354572296, 0.0, 0.0, 0.0
-InChI%3D1S%2FC14H13N3O2S%2Fc1-19-13-7-9%2820%282%2918%293-4-10%2813%2914-16-11-5-6-15-8-12%2811%2917-14%2Fh3-8H%2C1-2H3%2C%28H%2C16%2C17%29, 0.0, 3.28299021720886 3.28299021720886, 3.53530144691467, -0.0437036380171776, 0.0, 1.0, 0.0, 4.85782194137573 4.85782194137573, 2.58990573883057, -0.080877959728241, 0.0, 0.0, 6.48925924301147 6.48925924301147, 0.17779166996479, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 106.0, 336.0, 1.25963521003723 1.25963521003723, 0.0, 0.0, 0.0, 0.0, 1.42705082893372 1.42705082893372, 0.0, 0.200000002980232, 0.0, 14.9173555374146, 0.0, 0.0, 1.5421336889267 1.5421336889267, 0.0, 6.40582704544067, 0.0962250456213951, 0.0, 0.0, 0.0, 3.12244892120361, 0.343013048171997, 0.025000000372529, 0.0, 0.0, 0.538794755935669, 11.4893493652344, 0.0869403481483459, 6.82657623291016, 0.112975768744946, , 5.97347211837769, 0.631710231304169, 0.0, 5.00316572189331, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.49203848838806, 2.0, 0.107110127806664, 0.0, 2.26754975318909, 2.0, 0.0, 0.0, 1.52882945537567, 0.0, 0.0, 0.0, 0.0, 0.920777857303619, 0.0, 84.1800003051758, 0.0, 0.521492779254913, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 28.7566547393799, 1.0, 0.0, 29.5572662353516, 0.0, 0.0, 806.0, 0.16666667163372, 1423.94311523438, 0.0, 0.0, 37.3574066162109, 2.20206022262573, 1664.22192382812, 0.0, 0.0, 37.6894989013672, 0.0, 0.0, 0.0, 0.0, 2.72542452812195, 2338.8251953125, 34.6864929199219, 5.32192802429199, 31.0, 2253.8486328125, 0.0, 776.059997558594, 0.0, 1896.16906738281, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 1.04004192352295, 0.0, 2.0, 0.0, 8.0, 0.0, 14.1125192642212, 0.0, 0.0, 0.5, 9.68587207794189, 0.0, 0.0, 0.0, 1.30274939537048, 0.0, 8.68543243408203, 0.0, 0.0, 4.0464882850647, 0.0, 7.43196821212769, 0.386082768440247, 12.4941129684448, 3.0, 0.0, 6.147864818573, 6.0, 0.0, 0.453235328197479, 0.0, 0.0, 0.0, 1.0, -0.194008052349091, 0.0, 4.9868631362915, 1.0, 0.0, 0.0
-InChI%3D1S%2FC15H11NO2%2Fc1-8-6-7-11-12%2813%288%2916%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C16H2%2C1H3, 0.0, 3.985595703125 3.985595703125, 3.4858717918396, -0.0155247217044234, 0.0, 0.0, 0.0, 6.73738718032837 6.73738718032837, 2.42994666099548, -0.0846310555934906, 0.0, 0.0, 10.8864765167236 10.8864765167236, -0.109173581004143, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 100.0, 237.0, 1.38155233860016 1.38155233860016, 0.0, 0.200000002980232, 0.0, 0.0, 1.8607474565506 1.8607474565506, 0.0, 0.0, 0.0, 13.0050001144409, 0.0, 0.0, 2.42774963378906 2.42774963378906, 0.0, 4.83555555343628, 0.0, 0.0, 0.0, 0.0, 1.98347103595734, 0.175925925374031, 0.0, 0.0, 0.0, 0.445511013269424, 9.85794830322266, 0.0642361119389534, 5.68495750427246, 0.129106134176254, , 13.8563365936279, 0.597574770450592, 1.0, 4.42252826690674, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.35151839256287, 0.0, 0.155536323785782, 0.0, 2.3164176940918, 1.0, 0.0, 0.0, 1.65098083019257, 0.0, 0.0, 0.0, 0.0, 0.93836784362793, 0.0, 60.1599998474121, 0.0, 0.546919941902161, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.9089260101318, 5.0, 0.0, 20.8303699493408, 0.0, 0.0, 519.0, 0.0, 1291.48315429688, 2.0, 0.0, 31.660737991333, 1.22054314613342, 1571.24890136719, 0.0, 0.0, 38.321475982666, 0.0, 0.0, 0.0, 0.0, 2.41710042953491, 2338.84375, 34.3729400634766, 5.16992521286011, 35.0, 2515.92114257812, 0.0, 655.030029296875, 0.0, 1942.91186523438, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 7.0, 0.0, 12.861442565918, 0.0, 0.0, 0.5, 8.6090612411499, 0.0, 0.0, 0.0, 1.33241188526154, 0.0, 7.98535537719727, 0.0, 0.0, 5.15518665313721, 0.0, 7.46243953704834, 0.601001560688019, 15.9953508377075, 0.0, 0.0, 6.25888252258301, 6.0, 0.0, 0.270862251520157, 0.0, 0.0, 0.0, 2.0, -0.0393170639872551, 0.0, 5.26281070709229, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H8N2O%2Fc1-3-5%286%294-2%2Fh3H2%2C1-2H3, 0.0, , , -0.0445347465574741, 1.0, 0.0, 0.0, , , -0.00637772539630532, 0.0, 0.0, , 0.00585381221026182, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 29.0, , 0.0, 0.0, 0.0, , , , 0.0, 0.0, 6.0, , 0.0, , 0.0, 3.20000004768372, , 0.0, 0.0, , 3.0, , , 0.0, 0.0, , , , , , , 0.0, , 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, , 0.0, , 2.0, , 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 41.1100006103516, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.49444532394409, 0.0, 0.0, 6.24582433700562, 0.0, 0.0, 31.0, 0.25, , 0.0, 0.0, 6.38411378860474, 1.15470051765442, , 0.0, 0.0, 4.8303689956665, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 3.58496260643005, 4.0, , 0.0, 139.029998779297, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.5, , 0.0, 0.0, 0.0, , 1.0, , 0.0, , 0.0, 0.0, , , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.116034917533398, , 0.0, 0.0, 1.0, -0.0129588004201651, 0.0, , 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H, 0.0, 0.816496610641479 0.816496610641479, 0.333333343267441, -0.00385585660114884, 0.0, 0.0, 2.0, 0.760079681873322 0.760079681873322, 0.0, -0.00271514779888093, 0.0, 0.0, 1.13807117938995 1.13807117938995, -0.0362370833754539, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 36.0, 58.0, 0.436435788869858 0.436435788869858, 0.0, 0.0, 0.0, 0.0, 0.344206035137177 0.344206035137177, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.499412149190903 0.499412149190903, 0.0, 2.51999998092651, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.0833333358168602, 0.0, 0.0, 0.0, 0.16666667163372, 5.57718801498413, 0.0277777779847383, 2.95526051521301, 0.0629940778017044, , 0.333333343267441, 0.377964466810226, 0.0, 2.30930733680725, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.30749583244324, 0.0, 0.0, 0.0, 0.681525647640228, 0.0, 0.0, 0.0, 0.59917026758194, 0.0, 0.0, 0.0, 0.0, 0.125988155603409, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.4255065917969, 0.0, 0.0, 11.9034748077393, 0.0, 0.0, 62.0, 0.0, 452.600219726562, 0.0, 0.0, 17.8069496154785, 0.0, 480.79052734375, 0.0, 0.0, 14.8069496154785, 0.0, 0.0, 0.0, 0.0, 0.0, 564.630737304688, 5.90347480773926, 4.0, 7.0, 375.508026123047, 0.0, 88.0199966430664, 0.0, 101.468994140625, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 5.98312759399414, 0.0, 0.0, 0.400000005960464, 3.78769373893738, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 3.3650438785553, 0.0, 0.0, 3.30192732810974, 0.0, 2.30453038215637, 0.0, 5.65685415267944, 0.0, 0.0, 1.4267463684082, 4.0, 0.0, 0.0801858827471733, 0.0, 0.0, 0.0, 0.0, -0.0236332435160875, 0.0, 1.30473780632019, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3, 0.0, 0.0 0.0, 0.0, -0.00281726010143757, 1.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 6.0, 6.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.67106771469116, 0.0, 2.09583687782288, 0.0, , 0.0, 0.0, 0.0, 1.38873016834259, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 46.2580909729004, 0.0, 0.0, 7.65267562866211, 0.0, 0.0, 4.0, 0.0, 111.527198791504, 0.0, 0.0, 6.65267562866211, 1.0, 78.1987609863281, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 31.3256549835205, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 43.0099983215332, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.70710682868958, 1.0, 0.0, 0.5, 1.41421353816986, 0.0, 0.0, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0293095912784338, 0.0, 0.0, 0.0, 0.0, -0.0118375355377793, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H17N3O2%2Fc1-10-8-15%2814-18%299-11%282%2916%2810%2913%2817%2912-6-4-3-5-7-12%2Fh3-7%2C10-11H%2C8-9H2%2C1-2H3, , 2.80392289161682 2.80392289161682, 2.19055509567261, 0.0306790769100189, 2.0, 0.0, 0.0, 4.99121141433716 4.99121141433716, 1.36769187450409, 0.037467248737812, , 0.0, 6.55738353729248 6.55738353729248, -0.104746624827385, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 90.0, 279.0, 1.30808699131012 1.30808699131012, 0.0, 0.142857149243355, 0.0, 0.0, 2.06618690490723 2.06618690490723, 0.0, 0.0, 0.0, 14.4099721908569, 0.0, 0.0, 2.28798365592957 2.28798365592957, 0.333333343267441, 6.43787002563477, 0.0, 0.0, 0.0, 0.0, 3.32179927825928, 0.157617628574371, 0.0, 0.0, 0.0, 0.241395398974419, 10.6138029098511, 0.0654083490371704, 6.09103918075562, 0.114277958869934, , 2.94168281555176, 0.668660879135132, 0.0, 4.72973823547363, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.27039837837219, 0.0, 0.135838285088539, 0.0, 2.49168848991394, 2.0, 0.0, 0.0, 1.42127394676208, 0.0, 0.0, , 0.0, 0.754258751869202, 0.0, 52.9799995422363, 0.0, 0.32911878824234, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.6289024353027, 1.0, 0.0, 21.076473236084, 0.0, 0.0, 596.0, 0.25, 1110.07092285156, 1.0, 0.0, 28.9346904754639, 2.98093318939209, 1285.29052734375, 0.0, 0.0, 31.3496513366699, 0.0, 0.0, 0.0, 0.0, 3.26598644256592, 1757.34606933594, 29.8476505279541, 5.16992521286011, 28.0, 1783.37622070312, 0.0, 990.049987792969, 0.0, 1480.482421875, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 7.0, 0.0, 13.1209554672241, 0.0, 0.0, 0.5, 8.63022899627686, 0.0, 0.0, 0.0, 1.145756483078, 1.0, 7.53480291366577, 2.0, 0.0, 6.97049140930176, 0.0, 6.30224084854126, 0.317509919404984, 9.52628040313721, 0.0, 0.0, 5.36687803268433, 5.0, 0.0, 0.256706386804581, 0.0, 0.0, 0.0, 2.0, -0.144242733716965, 2.0, 3.69942998886108, 0.0, 0.0, 0.0
-InChI%3D1S%2FCd.H2O4S%2Fc%3B1-5%282%2C3%294%2Fh%3B%28H2%2C1%2C2%2C3%2C4%29%2Fq%2B2%3B%2Fp-2, 0.0, 0.0 0.0, , 0.122965343296528, 0.0, 0.0, 0.0, 0.0 0.0, , 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 20.0, -589934592.0, 0.0 0.0, 0.0, 3.0, 1.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 9.375, 0.0, 0.0, 0.0 0.0, 0.0, 2.22222232818604, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 88.6399993896484, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 101.821304321289, 0.0, 0.0, 14.2255973815918, 0.0, 0.0, 5000000000.0, 0.0, 129.793869018555, 0.0, 0.0, 10.6468143463135, 0.0, 113.202278137207, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 144.938140869141, 0.0, 3.58496260643005, 0.0, 0.0, 0.0, 14.0600004196167, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.999000012874603, , 0.0, 0.0, 0.0, 2.0, 0.0, , 0.0, 0.5, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.409884482622147, 0.0, 0.0, 0.0, 2.0, -0.327907592058182, 0.0, , 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H8N4O2S%2Fc10-12-9-11-8%285-16-9%296-1-3-7%284-2-6%2913%2814%2915%2Fh1-5H%2C10H2%2C%28H%2C11%2C12%29, 0.0, 2.42793583869934 2.42793583869934, 2.15935635566711, 0.0293857157230377, 0.0, 0.0, 0.0, 3.05008983612061 3.05008983612061, 1.43055689334869, -0.0146749820560217, 0.0, 0.0, 3.25661945343018 3.25661945343018, 0.00240261084400117, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 80.0, 252.0, 0.784009456634521 0.784009456634521, 0.0, 0.5, 0.0, 0.0, 0.959335803985596 0.959335803985596, 0.0, 0.0, 0.0, 12.4567470550537, 0.0, 0.0, 0.891325294971466 0.891325294971466, 0.0, 5.55765581130981, 0.117851130664349, 0.0, 0.0, 0.0, 3.02972650527954, 0.234708055853844, 0.079056940972805, 0.0, 0.0, 0.323895931243896, 8.89976978302002, 0.106834717094898, 5.25416564941406, 0.114541046321392, , 2.18224716186523, 0.396617084741592, 1.0, 3.84432291984558, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.77505731582642, 0.0, 0.0339391753077507, 0.0, 1.85767018795013, 0.0, 0.0, 0.0, 1.09794175624847, 0.0, 0.0, 0.0, 0.0, 0.638539612293243, 0.0, 125.0, 0.0, 0.343377232551575, 0.0, 1.15470051765442, 0.0, 0.0, 0.0, 0.111111111938953, 25.1166439056396, 1.0, 0.0, 22.4712314605713, 0.0, 0.0, 472.0, 0.0, 1015.02001953125, 0.0, 0.0, 31.5262813568115, 0.0, 1167.0078125, 0.0, 0.0, 27.4687175750732, 0.0, 0.0, 0.0, 0.0, 0.0, 1560.53942871094, 22.6650505065918, 5.0, 21.0, 1306.734375, 0.0, 385.070007324219, 0.0, 1036.8095703125, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.288675129413605, 6.0, 0.0, 11.5436058044434, 0.0, 0.0, 0.5, 7.70270872116089, 0.0, 1.0, 0.0, 1.03745746612549, 0.0, 6.76628255844116, 0.0, 0.0, 4.25141477584839, 0.0, 5.58511114120483, 0.25, 9.28654956817627, 1.0, 0.0, 4.19562721252441, 5.0, 0.0, 0.180017560720444, 0.0, 0.0, 0.0, 2.0, -0.0889593437314034, 0.0, 2.9540581703186, 0.0, 0.0, 0.0
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-InChI%3D1S%2FCH4N2O2%2Fc1-2-3%284%295%2Fh2H%2C1H3, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0397559367120266, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, -0.0319621562957764, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.0372678004205227 0.0372678004205227, 0.0, 0.5, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.76371026039124, 0.0, 1.08875513076782, 0.0, , 0.0, 0.0372678004205227, 0.0, 0.480716586112976, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.182574182748795, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 57.8499984741211, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.26891422271729, 0.0, 0.0, 5.63310527801514, 0.0, 0.0, 18.0, 0.0, 71.3105773925781, 0.0, 0.0, 6.04758644104004, 0.0, 60.9188652038574, 0.0, 0.0, 2.66418385505676, 0.0, 0.0, 0.0, 0.0, 0.0, 50.5991897583008, 0.0, 3.32192802429199, 2.0, 23.6280612945557, 0.0, 44.0400009155273, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 0.0, 1.0, 0.0, 0.40824830532074, 0.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0625880137085915, 0.0, 0.0, 0.0, 2.0, -0.0390877835452557, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2F2C2H4O2.4H2O.3Pb%2Fc2%2A1-2%283%294%3B%3B%3B%3B%3B%3B%3B%2Fh2%2A1H3%2C%28H%2C3%2C4%29%3B4%2A1H2%3B%3B%3B%2Fq%3B%3B%3B%3B%3B%3B3%2A%2B2%2Fp-6, 0.0, 0.0 0.0, 0.0, -0.00454985210672021, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 24.0, -884901888.0, 0.0 0.0, 0.0, 4.76220293421648e-06, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 81.6666641235352, 0.0, 0.0, 0.0 0.0, 0.0, 65.7222213745117, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 22.6712036132812, 0.0, 1.40824830532074, 0.0, , 9.99999971718069e-10, 0.0, 0.0, 0.40824830532074, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 80.2600021362305, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 911.156555175781, 0.0, 0.0, 7.32836771011353, 0.0, 0.0, 92999999488.0, 9.99999971718069e-10, 110.786163330078, 2.0, 0.0, 8.87730598449707, 0.0, 85.1973114013672, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.000126491111586802, 69.3822021484375, 0.0, 4.90689039230347, 0.0, 0.0, 0.0, 46.1100006103516, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.154700756073, 0.0, 0.0, 0.999000012874603, 3.46410155296326, 0.0, 0.0, 0.0, 1.15470051765442, 0.0, 3.46410155296326, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.542050421237946, 0.0, 0.0, 0.0, 2.0, -0.26647537946701, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H8O%2Fc1-2-4-7%285-3-1%298-6-9-8%2Fh1-5%2C8H%2C6H2, 0.0, 0.70710676908493 0.70710676908493, 0.589255630970001, -0.0046101943589747, 1.0, 1.0, 0.0, 0.916666686534882 0.916666686534882, 0.333333343267441, -0.000872706063091755, 0.0, 0.0, 0.942809045314789 0.942809045314789, -2.8990589271416e-05, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 46.0, 79.0, 0.314661234617233 0.314661234617233, 0.0, 0.0, 0.0, 0.288675129413605, 0.331264495849609 0.331264495849609, 0.16666667163372, 0.0, 0.0, 5.76000022888184, 0.16666667163372, 0.0, 0.273924201726913 0.273924201726913, 0.0, 2.31952667236328, 0.0, 0.0, 0.0, 0.0833333358168602, 1.27999997138977, 0.268728733062744, 0.0, 0.0, 0.0, 0.294627815485001, 5.07945680618286, 0.087630569934845, 3.13198447227478, 0.0826685503125191, , 1.0, 0.179558381438255, 0.0, 2.23265886306763, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.3380241394043, 0.0, 0.0277777779847383, 0.0, 0.860139191150665, 0.0, 0.0, 0.0, 0.491639584302902, 0.0, 0.0, 0.0, 0.0, 0.172737121582031, 0.0, 12.5299997329712, 0.0, 0.0783464834094048, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.77446937561035, 1.0, 0.0, 10.6641836166382, 0.0, 0.0, 87.0, 0.0, 410.767578125, 0.0, 0.0, 10.3320922851562, 0.0, 464.388854980469, 0.0, 0.0, 9.66418361663818, 0.0, 0.0, 0.0, 0.0, 0.0, 490.266815185547, 5.66418409347534, 4.16992521286011, 9.0, 399.434936523438, 0.0, 252.009994506836, 0.0, 189.687911987305, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 6.10444784164429, 0.0, 0.0, 0.400000005960464, 4.46632671356201, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 3.73552012443542, 1.0, 0.0, 6.94562911987305, 0.0, 2.64982986450195, 0.0833333358168602, 6.08555364608765, 0.0, 0.0, 2.07697582244873, 5.0, 0.0, 0.174522250890732, 0.0, 0.0, 0.0, 0.0, -0.081748865544796, 0.0, 1.44570577144623, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H19NO3%2Fc1-12%282%2C3%2913-7-11%2816%298-4-9%2814%296-10%2815%295-8%2Fh4-6%2C11%2C13-16H%2C7H2%2C1-3H3, 0.0, 2.393634557724 2.393634557724, 1.40165019035339, -0.0632759258151054, 1.0, 0.0, 0.0, 3.18009090423584 3.18009090423584, 0.699635088443756, 0.0296386796981096, 0.0, 0.0, 4.27657032012939 4.27657032012939, -0.0795995742082596, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 78.0, 204.0, 1.03775370121002 1.03775370121002, 0.0, 0.646330416202545, 0.0, 0.0, 1.07863473892212 1.07863473892212, 0.0, 0.0, 0.0, 14.0625, 0.0, 0.0, 1.0631959438324 1.0631959438324, 0.0, 5.55765581130981, 0.0, 0.0, 0.0, 0.0, 5.26446294784546, 0.0680413842201233, 0.0, 3.0, 0.0, 0.175366476178169, 9.8581485748291, 0.0240562614053488, 5.23794031143188, 0.0354054644703865, , 2.94168281555176, 1.58658337593079, 0.0, 4.92944240570068, 0.0, 0.877382695674896, 0.0, 0.25, 0.0, 0.0, 2.13538026809692, 0.0, 0.0304290316998959, 0.0, 1.3311356306076, 3.0, 0.0, 0.0, 0.871973037719727, 0.0, 0.0, 0.0, 0.0, 0.422810584306717, 0.0, 72.7200012207031, 0.0, 0.192486673593521, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.6833953857422, 2.0, 0.0, 17.3286457061768, 0.0, 0.0, 468.0, 1.5, 876.05859375, 0.0, 0.0, 25.6572933197021, 2.21336388587952, 968.876831054688, 1.0, 0.0, 21.7122039794922, 0.0, 0.0, 0.0, 0.0, 2.14474034309387, 1268.1484375, 20.4314842224121, 5.0, 19.0, 1073.10681152344, 0.0, 985.039978027344, 3.0, 902.403442382812, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 12.3449354171753, 0.0, 0.0, 0.5, 7.27667570114136, 0.0, 1.0, 0.0, 2.54037928581238, 0.0, 7.75414896011353, 1.0, 0.353553384542465, 2.24957680702209, 0.0, 4.36939191818237, 0.117851130664349, 8.81719398498535, 0.0, 0.0, 3.37021446228027, 3.0, 0.0, 0.301530867815018, 0.0, 0.924789667129517, 0.0, 0.0, -0.0819387659430504, 0.0, 2.63435459136963, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H11NO5%2Fc1-2-14-5-8%2813%2816%2917%2912%2815%297-3-10-11%284-9%287%2914%2919-6-18-10%2Fh3-5H%2C2%2C6H2%2C1H3%2C%28H%2C16%2C17%29, 0.0, 3.77826809883118 3.77826809883118, 3.9440438747406, 0.064703606069088, 3.0, 2.0, 0.0, 6.12174844741821 6.12174844741821, 2.76206827163696, -0.353391855955124, 0.0, 0.0, 8.81991004943848 8.81991004943848, 0.376757025718689, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 104.0, 256.0, 1.35336184501648 1.35336184501648, 0.0, 0.944940805435181, 0.0, 0.0, 1.85652232170105 1.85652232170105, 0.0, 0.889682471752167, 0.0, 13.9591836929321, 0.0, 0.0, 2.29266738891602 2.29266738891602, 0.0, 5.41311120986938, 0.117851130664349, 0.0, 0.0, 0.0, 2.38016533851624, 0.267583131790161, 0.0294627826660872, 1.0, 0.0, 0.465643167495728, 10.3807916641235, 0.0776757970452309, 6.07092189788818, 0.126792818307877, , 8.85754203796387, 0.580065310001373, 0.0, 4.51632928848267, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.49631857872009, 0.0, 0.12127523124218, 0.0, 2.46926474571228, 1.0, 0.0, 0.0, 1.73282647132874, 0.0, 0.0, 0.0, 0.0, 1.08592689037323, 0.0, 76.0699996948242, 0.0, 0.633212924003601, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.2323341369629, 2.0, 0.0, 23.8232002258301, 0.5, 0.0, 629.0, 0.0, 1177.12780761719, 2.0, 0.0, 35.8704147338867, 1.4938952922821, 1429.06811523438, 0.0, 0.0, 37.649845123291, 0.0, 0.0, 0.0, 0.0, 1.56385934352875, 2112.5, 36.2536315917969, 5.24792766571045, 33.0, 2172.67553710938, 0.0, 814.059997558594, 0.0, 1775.14074707031, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.0, 0.0, 13.568549156189, 0.0, 0.0, 0.5, 9.1133918762207, 0.0, 0.0, 0.0, 1.43403172492981, 0.0, 8.4211950302124, 1.0, 0.0, 2.85294985771179, 0.0, 7.42805814743042, 0.500147879123688, 13.104603767395, 0.0, 0.0, 6.33482837677002, 2.0, 0.0, 0.772533893585205, 0.0, 0.0, 0.0, 2.0, -0.373258113861084, 1.0, 5.03627824783325, 0.0, 0.0, 0.0
-InChI%3D1S%2FC31H22N6O9S.Cu.2Na%2Fc38-26-12-9-21%2815-23%2826%2931%2842%2943%2934-32-19-5-1-17%282-6-19%2918-3-7-20%288-4-18%2933-37-29-28%2840%2914-11-24%2830%2829%2941%2935-36-25-16-22%2847%2844%2C45%2946%2910-13-27%2825%2939%3B%3B%3B%2Fh1-16%2C38-41H%2C%28H%2C42%2C43%29%28H%2C44%2C45%2C46%29%3B%3B%3B%2Fq%3B%2B2%3B2%2A%2B1%2Fp-4%2Fb34-32%3F%2C36-35%2B%2C37-33%3F%3B%3B%3B, 0.0, 8.56826972961426 8.56826972961426, 7.63243865966797, -0.393276244401932, 0.0, 0.0, 0.0, 11.5266551971436 11.5266551971436, 5.07635974884033, -0.306741505861282, 0.0, 0.0, 14.7730751037598 14.7730751037598, 0.0685057640075684, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 248.0, -1079215232.0, 1.81260919570923 1.81260919570923, 0.0, 3.23344850540161, 1.0, 0.0, 1.91667902469635 1.91667902469635, 0.0, 0.0, 0.0, 46.1553230285645, 0.0, 0.0, 1.90718078613281 1.90718078613281, 0.0, 21.1852130889893, 0.0, 0.0, 0.0, 0.0, 12.7939510345459, 0.358304977416992, 0.0, 2.0, 0.0, 0.709366917610168, 22.4071674346924, 0.124501414597034, 13.1781883239746, 0.125661000609398, , 14.209677696228, 1.13280689716339, 0.0, 9.47953987121582, 0.0, 0.0, 0.0, 0.0323152802884579, 0.0, 0.0, 6.13625526428223, 0.0, 0.11781095713377, 0.0, 3.85620427131653, 0.0, 0.0107717597857118, 0.0, 2.53239274024963, 0.0, 0.0, 0.0, 0.0, 1.23873221874237, 0.0, 266.450012207031, 0.0, 0.714562237262726, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 97.5773696899414, 3.0, 0.0, 64.4086074829102, 0.0, 0.0, 144000008192.0, 0.0, 2969.49609375, 1.0, 0.0, 86.745979309082, 0.0, 3451.1328125, 0.0, 0.0, 92.8516311645508, 0.0, 0.0, 0.0, 0.0, 0.0, 4767.966796875, 82.4873123168945, 6.64385604858398, 77.0, 4799.79443359375, 0.0, 2311.18994140625, 0.0, 4028.21948242188, 14.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 2.57638120651245, 0.0, 0.0, 0.0, 27.0, 0.0, 33.7166023254395, 0.0, 0.0, 0.999000012874603, 22.384069442749, 0.0, 0.0, 0.0, 4.29445791244507, 6.0, 21.3089447021484, 0.0, 0.288675129413605, 17.1281108856201, 0.0, 17.2019500732422, 1.13752245903015, 35.7742462158203, 0.0, 0.0, 13.2441759109497, 16.0, 0.0, 1.41227912902832, 0.144337564706802, 0.0, 0.0, 3.0, -0.246600240468979, 0.0, 10.664192199707, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H13N3O2%2Fc1-2-3-4-5-9%288-11%296%287%2910%2Fh2-5H2%2C1H3%2C%28H2%2C7%2C10%29, , 1.08925569057465 1.08925569057465, 0.45412415266037, 0.0917155593633652, 4.0, 0.0, 0.0, 1.17258894443512 1.17258894443512, 0.268728733062744, -0.0830141082406044, , 0.0, 0.71129447221756 0.71129447221756, 0.0257975794374943, , 0.0, 0.75, 0.0, 0.0, 0.0, 42.0, 111.0, 0.203561648726463 0.203561648726463, 0.0, 0.25, 0.0, 0.0, 0.164600849151611 0.164600849151611, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.10823579877615 0.10823579877615, 0.0, 6.69421482086182, 0.0, 0.0, 0.0, 0.0, 5.28925609588623, 0.0, 0.0, 1.0, 0.0, 0.0, 6.57831621170044, 0.0, 3.60312223434448, 0.0, , 0.0, 0.120710678398609, 0.0, 2.23550534248352, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.31651949882507, 0.0, 0.0158113874495029, , 0.696967363357544, 1.0, 0.0, 0.0, 0.321456432342529, 0.0, , , 0.0, 0.179264962673187, 0.0, 76.75, 0.0, 0.0733632668852806, , 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 13.6289024353027, 0.0, 0.0, 11.744101524353, 0.0, , 182.0, 0.0, 410.783996582031, 1.0, 0.0, 13.5189418792725, 1.80720400810242, 410.78466796875, 0.0, 0.0, 13.4082860946655, 0.0, 0.0, 0.0, , 0.16666667163372, 433.722747802734, 11.4906749725342, 4.45943164825439, 11.0, 392.755645751953, 0.0, 419.049987792969, 0.0, 295.199462890625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, , , 2.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 3.0, 0.0, 8.69023418426514, , , 0.428571432828903, 5.21874380111694, 0.0, 0.0, 0.0, 0.5, 1.0, 3.90812683105469, 0.0, 0.0, 3.96540641784668, 0.0, 2.64565467834473, 0.16666667163372, 1.20855021476746, 0.0, 0.0, 1.66538822650909, 0.0, 0.0, 0.157817542552948, 0.0, 0.0, 0.0, 1.0, -0.112798593938351, 1.0, 0.709772825241089, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298, 0.0, 4.5 4.5, 0.0, -0.146240457892418, 0.0, 0.0, 6.0, 1.5 1.5, 0.0, 0.109680347144604, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 38.0, 34.0, 6.56038331985474 6.56038331985474, 0.0, 0.0, 0.0, 0.0, 2.47959184646606 2.47959184646606, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.75, 0.0, 0.0, 0.0, 0.0, 2.22222232818604, 0.0, 0.0, 0.0, 0.0, 0.0, 7.80336046218872, 0.0, 3.65168023109436, 0.0, , 0.0, 3.38643431663513, 0.0, 5.55798292160034, 0.0, 0.0, 0.0, 0.728931486606598, 0.0, 0.0, 2.89285707473755, 0.0, 3.7193877696991, 0.0, 0.0, 0.0, 2.81159281730652, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 54.2765197753906, 0.0, 0.0, 18.7104244232178, 0.0, 0.0, 58.0, 0.0, 708.911071777344, 0.0, 0.0, 69.986946105957, 0.0, 771.783020019531, 2.0, 0.0, 78.4147796630859, 0.0, 0.0, 0.0, 0.0, 0.0, 998.993408203125, 0.0, 4.0, 9.0, 581.665893554688, 0.0, 7.05999994277954, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 0.333333343267441, 3.25, 0.0, 0.0, 0.0, 2.5, 0.0, 4.5, 0.0, 0.5, 0.0, 0.0, 2.25, 2.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.292480915784836, 1.5, 0.0, 0.0, 0.0, -0.109680347144604, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H3N3O5%2Fc10-6-8-7-5%2814-6%293-1-2-4%2813-3%299%2811%2912%2Fh1-2H%2C%28H%2C8%2C10%29, 0.0, 2.28916168212891 2.28916168212891, 1.74958980083466, -0.0262072198092937, 0.0, 0.0, 0.0, 2.90863704681396 2.90863704681396, 0.952015101909637, 0.301262348890305, 0.0, 0.0, 3.23302745819092 3.23302745819092, -0.287125289440155, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 72.0, 181.0, 0.377327859401703 0.377327859401703, 0.0, 0.595275402069092, 0.0, 0.0, 0.413099646568298 0.413099646568298, 0.0, 1.55976951122284, 0.0, 10.5155553817749, 0.0, 0.0, 0.327450573444366 0.327450573444366, 0.0, 4.24489784240723, 0.235702261328697, 0.0, 0.0, 0.0, 2.34319519996643, 0.321975260972977, 0.0544331036508083, 1.0, 0.0, 0.435857951641083, 6.57654809951782, 0.0515597760677338, 3.43675565719604, 0.0492051392793655, , 2.52506470680237, 0.235366374254227, 0.0, 2.28478240966797, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.39687383174896, 0.0, 0.0195423923432827, 0.0, 0.8557990193367, 0.0, 0.0, 0.0, 0.407811045646667, 0.0, 0.0, 0.0, 0.0, 0.208117932081223, 0.0, 118.110000610352, 0.0, 0.0853527933359146, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.9523086547852, 0.0, 0.0, 18.6259365081787, 0.333333343267441, 0.0, 310.0, 0.0, 509.767639160156, 0.0, 0.0, 27.4200954437256, 0.0, 593.039794921875, 0.0, 0.0, 21.4234485626221, 0.0, 0.0, 0.0, 0.0, 0.0, 812.725158691406, 17.874942779541, 4.80735492706299, 16.0, 582.422119140625, 0.0, 142.080001831055, 0.0, 493.169769287109, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.365148365497589, 3.0, 0.0, 10.1293916702271, 0.0, 0.0, 0.5, 6.66470384597778, 0.0, 0.0, 0.0, 1.12200844287872, 0.0, 6.25553274154663, 0.0, 0.0, 1.0, 0.0, 4.85859775543213, 0.25, 3.69772696495056, 2.0, 0.0, 3.76564860343933, 2.0, 0.0, 0.577701210975647, 0.0, 0.0, 2.0, 2.0, -0.360834300518036, 0.0, 2.46063017845154, 0.0, 0.0, 0.0
-InChI%3D1S%2FC15H13NO2%2Fc1-10%2817%2916%2818%2913-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9%2C18H%2C8H2%2C1H3, 0.0, 3.42143082618713 3.42143082618713, 3.27479839324951, -0.0283921509981155, 1.0, 0.0, 0.0, 5.02519607543945 5.02519607543945, 2.62443423271179, 0.00774731859564781, 0.0, 0.0, 6.83550786972046 6.83550786972046, -0.00665904162451625, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 98.0, 276.0, 1.22168064117432 1.22168064117432, 0.0, 0.333333343267441, 0.0, 0.0, 1.7175041437149 1.7175041437149, 0.0, 0.0, 0.0, 13.0050001144409, 0.0, 0.0, 1.9637246131897 1.9637246131897, 0.0, 5.17479181289673, 0.0785674229264259, 0.0, 0.0, 0.0, 2.40000009536743, 0.37359693646431, 0.0441941730678082, 1.0, 0.0, 0.619346439838409, 10.0512342453003, 0.153896108269691, 5.87382888793945, 0.218667790293694, , 5.9316611289978, 0.564284384250641, 0.0, 4.50619506835938, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.32010507583618, 0.0, 0.116837978363037, 0.0, 2.44508051872253, 1.0, 0.0, 0.0, 1.68647444248199, 0.0, 0.0, 0.0, 0.0, 1.01064896583557, 0.0, 40.5400009155273, 0.0, 0.663553297519684, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.9089260101318, 4.0, 0.0, 21.2179279327393, 0.0, 0.0, 590.0, 0.0, 1214.70654296875, 1.0, 0.0, 31.0482978820801, 1.26940941810608, 1457.87768554688, 0.0, 0.0, 31.4352073669434, 0.0, 0.0, 0.0, 0.0, 1.4816472530365, 2120.61108398438, 24.660737991333, 5.16992521286011, 29.0, 1998.58044433594, 0.0, 783.030029296875, 0.0, 1520.55810546875, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 12.6983060836792, 0.0, 0.0, 0.444444447755814, 8.66470336914062, 0.0, 0.0, 0.0, 1.29794895648956, 0.0, 8.04429340362549, 0.0, 0.0, 9.72837352752686, 0.0, 7.00023889541626, 0.480313450098038, 17.9952964782715, 0.0, 0.0, 5.66181039810181, 7.0, 0.0, 0.171228691935539, 0.0, 0.0, 0.0, 1.0, -0.0577469021081924, 1.0, 4.6181435585022, 0.0, 0.0, 0.0
-InChI%3D1S%2FC15H18N2%2Fc1-10-7-12%283-5-14%2810%2916%299-13-4-6-15%2817%2911%282%298-13%2Fh3-8H%2C9%2C16-17H2%2C1-2H3, 0.0, 2.9750542640686 2.9750542640686, 2.09337735176086, -0.00833735801279545, 1.0, 0.0, 0.0, 3.38035488128662 3.38035488128662, 1.29687428474426, -0.00103145034518093, 0.0, 0.0, 4.61595249176025 4.61595249176025, -5.14632938575232e-06, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 86.0, 274.0, 1.20857262611389 1.20857262611389, 0.0, 0.0, 0.0, 0.0, 1.27220189571381 1.27220189571381, 0.0, 0.0, 0.0, 13.4320983886719, 0.0, 0.0, 1.43869602680206 1.43869602680206, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 3.48444437980652, 0.136082768440247, 0.0, 0.0, 0.0, 0.368390560150146, 10.3259086608887, 0.0481125228106976, 5.76052474975586, 0.109910994768143, , 4.50854015350342, 0.6910440325737, 2.0, 4.5586576461792, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.07667112350464, 0.0, 0.0962250456213951, 0.0, 1.9312196969986, 2.0, 0.0, 0.0, 1.28267228603363, 0.0, 0.0, 0.0, 0.0, 0.714368581771851, 0.0, 52.0400009155273, 0.100000001490116, 0.364484459161758, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.7199764251709, 4.0, 0.0, 18.3323707580566, 0.0, 0.0, 552.0, 0.125, 1123.56884765625, 0.0, 0.0, 25.6647415161133, 3.31046652793884, 1271.74096679688, 0.0, 0.0, 24.9971122741699, 0.0, 0.0, 0.0, 0.0, 3.48040437698364, 1699.71752929688, 16.3323707580566, 5.08746290206909, 24.0, 1572.37121582031, 0.0, 1024.02001953125, 0.0, 1096.75024414062, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 12.4138488769531, 0.0, 0.0, 0.5, 8.05855083465576, 0.0, 0.0, 0.0, 1.35105729103088, 0.0, 7.5029935836792, 0.0, 0.0, 7.25204372406006, 0.0, 6.08022594451904, 0.333333343267441, 15.8385400772095, 0.0, 0.0, 4.21766519546509, 6.0, 0.0, 0.0538342781364918, 0.0, 0.0, 0.0, 0.0, -0.0175249427556992, 0.0, 3.41826200485229, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H, 0.0, 0.0 0.0, 0.0, 0.000525138864759356, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.00270005012862384, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 24.0, 36.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.16666650772095, 0.0, 0.0, 0.0 0.0, 0.0, 2.22222232818604, 0.0, 0.0, 0.0, 0.0, 1.33333337306976, 0.125, 0.0, 0.0, 0.0, 0.0, 3.33396482467651, 0.0286887660622597, 1.84973108768463, 0.0, , 0.0, 0.0, 0.0, 1.02456390857697, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.566487431526184, 0.0, 0.0, 0.0, 0.312602013349533, 0.0, 0.0, 0.0, 0.172132596373558, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.8900003433228, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.35998821258545, 0.0, 0.0, 6.33237028121948, 0.0, 0.0, 27.0, 0.0, 214.527816772461, 0.0, 0.0, 6.33237028121948, 0.0, 214.456436157227, 0.0, 0.0, 3.16618514060974, 0.0, 0.0, 0.0, 0.0, 0.0, 214.338394165039, 0.0, 3.58496260643005, 3.0, 107.139686584473, 0.0, 91.0100021362305, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 4.24264049530029, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.12132024765015, 0.0, 0.0, 6.08364343643188, 0.0, 1.5, 0.0, 0.0, 1.0, 0.0, 1.06066012382507, 5.0, 0.0, 0.0639998093247414, 0.0, 0.0, 0.0, 0.0, -0.0352250933647156, 0.0, 0.75, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC6H14N2O4%2Fc1-5%2810%292-8%287-12%293-6%2811%294-9%2Fh5-6%2C9-11H%2C2-4H2%2C1H3, , 1.13087046146393 1.13087046146393, 0.514425337314606, -0.132113918662071, 3.0, 0.0, 0.0, 1.47633266448975 1.47633266448975, 0.136082768440247, 0.0700886100530624, , 0.0, 1.65812766551971 1.65812766551971, -0.015278541482985, , 0.0, 0.75, 0.0, 0.0, 0.0, 48.0, 118.0, 0.353414595127106 0.353414595127106, 0.0, 1.16253924369812, 0.0, 0.0, 0.417387902736664 0.417387902736664, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 0.322527289390564 0.322527289390564, 0.0, 6.50887584686279, 0.0, 0.0, 0.0, 0.0, 6.25, 0.0, 0.0, 3.0, 0.0, 0.0, 6.92033720016479, 0.0, 3.64975047111511, 0.0, , 0.25, 0.41167363524437, 0.0, 2.63866662979126, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.22269034385681, 0.0, 0.0, , 0.74720823764801, 1.0, 0.0, 0.0, 0.347269415855408, , , , 0.0, 0.158626452088356, 0.0, 93.3600006103516, 0.0, 0.0341111533343792, , 0.0, 0.0, 0.0, , 0.0, 15.8178520202637, 0.0, 0.0, 13.2421007156372, 0.0, , 221.0, 0.0, 437.944854736328, 0.0, 0.0, 15.8786668777466, 0.825481832027435, 453.145538330078, 0.0, 0.0, 15.5424184799194, 0.0, 0.0, 0.0, , 0.894427180290222, 510.425018310547, 15.3211364746094, 4.58496236801147, 12.0, 444.114227294922, 0.0, 493.059997558594, 0.0, 394.878326416016, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 9.56047821044922, , , 0.428571432828903, 5.59575414657593, 0.0, 0.0, 0.0, 0.901047587394714, 1.0, 4.65294504165649, 2.0, 0.0, 1.19055080413818, , 2.81471371650696, 0.0, 3.18138217926025, 0.0, 0.0, 1.83192729949951, 0.0, 0.0, 0.335940986871719, 0.0, 0.0, 0.0, 1.0, -0.0735858529806137, 1.0, 1.21026992797852, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H10N2OS%2Fc1-2-3-5-4-6%2810%299-7%2811%298-5%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C8%2C9%2C10%2C11%29, 0.0, 1.04670643806458 1.04670643806458, 1.09929239749908, 0.12118112295866, 2.0, 0.0, 0.0, 2.01430463790894 2.01430463790894, 0.260491460561752, -0.107235543429852, 0.0, 0.0, 2.10376572608948 2.10376572608948, 0.0388003624975681, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 50.0, 103.0, 0.347735911607742 0.347735911607742, 0.0, 0.0, 0.0, 0.0, 0.562226474285126 0.562226474285126, 0.0, 0.0, 0.0, 9.09090900421143, 0.0, 0.0, 0.506179809570312 0.506179809570312, 0.0, 4.13265323638916, 0.0, 0.0, 0.0, 0.0, 2.84444451332092, 0.0680413842201233, 0.0, 1.0, 0.0, 0.184195280075073, 7.17484521865845, 0.0144337564706802, 3.92686486244202, 0.0360260978341103, , 1.5, 0.283186197280884, 0.0, 2.66748070716858, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.46000862121582, 0.0, 0.0, 0.0, 1.08458745479584, 1.0, 0.0, 0.0, 0.531938850879669, 0.0, 0.0, 0.0, 0.0, 0.323128581047058, 0.0, 84.8099975585938, 0.0, 0.0703119933605194, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.6221981048584, 0.0, 0.0, 13.666618347168, 0.0, 0.0, 158.0, 0.0, 619.254333496094, 0.0, 0.0, 19.9710292816162, 1.5, 667.478820800781, 0.0, 0.0, 16.5023097991943, 0.0, 0.0, 0.0, 0.0, 0.711378633975983, 820.014587402344, 17.113899230957, 4.45943164825439, 12.0, 698.275939941406, 1.0, 331.040008544922, 0.0, 487.068756103516, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 4.0, 0.0, 8.26758480072021, 0.0, 0.0, 0.5, 5.21954536437988, 0.0, 0.0, 0.0, 0.781474411487579, 0.0, 4.57215070724487, 0.0, 0.0, 1.65096366405487, 0.0, 2.9730658531189, 0.0, 4.24583578109741, 2.0, 0.0, 2.75758361816406, 1.0, 0.0, 0.214058935642242, 0.0, 0.0, 0.0, 0.0, -0.159165561199188, 0.0, 1.56730246543884, 0.0, 0.0, 0.0
-InChI%3D1S%2FC21H30O3%2Fc1-13%2822%2924-15-8-10-20%282%2914%2812-15%294-5-16-17-6-7-19%2823%2921%2817%2C3%2911-9-18%2816%2920%2Fh4%2C15-18H%2C5-12H2%2C1-3H3%2Ft15-%2C16%3F%2C17-%2C18-%2C20%3F%2C21%3F%2Fm0%2Fs1, 0.0, 6.69865083694458 6.69865083694458, 5.38246870040894, -0.00281045073643327, 8.0, 1.0, 0.0, 11.0493059158325 11.0493059158325, 4.33130502700806, 0.00770367262884974, 0.0, 0.0, 15.3331117630005 15.3331117630005, -0.0109257949516177, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 140.0, 472.0, 5.0820951461792 5.0820951461792, 0.0, 0.0833333358168602, 0.0, 0.0, 8.40726089477539 8.40726089477539, 0.0, 0.447213590145111, 0.0, 17.4156379699707, 0.0, 0.0, 11.3521718978882 11.3521718978882, 0.0, 6.02055168151855, 0.0833333358168602, 2.0, 0.0, 0.0, 2.64412069320679, 0.428855359554291, 0.0721687823534012, 0.0, 0.0, 0.957115232944489, 15.2683506011963, 0.327493518590927, 9.74446964263916, 0.699958086013794, , 5.91708946228027, 2.00180125236511, 0.0, 9.15160655975342, 0.0, 5.27934312820435, 0.0, 0.20412415266037, 0.0, 0.0, 8.10033226013184, 0.0, 0.758997678756714, 0.0, 6.73385620117188, 3.0, 0.154462784528732, 0.0, 5.28741025924683, 0.0, 0.0, 0.0, 0.0, 3.90157699584961, 0.0, 43.3699989318848, 0.0, 2.88096141815186, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 26.3234062194824, 3.0, 0.0, 28.3283672332764, 0.0, 0.0, 1250.0, 0.388067483901978, 2061.10766601562, 3.0, 0.0, 45.7670211791992, 5.90816974639893, 2570.13842773438, 2.0, 0.0, 50.3246421813965, 0.0, 0.0, 0.0, 0.0, 4.98152256011963, 4063.06591796875, 41.9925537109375, 5.58496236801147, 48.0, 4335.7607421875, 0.0, 2697.03002929688, 1.77338373661041, 3458.48876953125, 0.0, 0.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 9.0, 0.0, 17.1125202178955, 0.0, 0.0, 0.5, 11.3430080413818, 1.0, 0.0, 0.0, 2.71815133094788, 0.0, 11.4497766494751, 4.0, 0.235702261328697, 10.5026302337646, 0.0, 10.0531797409058, 1.08504247665405, 20.5622844696045, 0.0, 0.0, 8.49035167694092, 0.0, 0.0, 0.390694141387939, 0.23848395049572, 6.72457647323608, 0.0, 2.0, -0.18057207763195, 0.0, 6.93322563171387, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2%2Ft3-%2C4-%2C5-%2C6-%2Fm1%2Fs1, 0.0, 2.47916269302368 2.47916269302368, 0.268245965242386, -0.243061184883118, 2.0, 0.0, 0.0, 2.86081576347351 2.86081576347351, 0.0555555559694767, 0.00106764759402722, 0.0, 0.0, 3.16954231262207 3.16954231262207, 0.00247908150777221, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 50.0, 114.0, 1.00509333610535 1.00509333610535, 0.0, 1.66881787776947, 0.0, 0.0, 1.10625565052032 1.10625565052032, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 1.08679091930389 1.08679091930389, 0.0, 5.61224508285522, 0.0, 0.0, 0.0, 0.0, 3.515625, 0.0, 0.0, 4.0, 0.0, 0.0, 9.44039058685303, 0.0, 5.6267523765564, 0.0, , 3.96540641784668, 0.382951110601425, 0.0, 3.71944761276245, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.78131771087646, 0.0, 0.0766553282737732, 0.0, 1.40377366542816, 0.0, 0.0, 0.0, 0.695703029632568, 0.0, 0.0, 0.0, 0.0, 0.35623100399971, 0.0, 80.9199981689453, 0.0, 0.214285716414452, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 101.614059448242, 0.0, 0.0, 23.6337184906006, 0.0, 0.0, 206.0, 0.0, 681.130615234375, 0.0, 0.0, 27.9620876312256, 0.0, 706.594787597656, 0.0, 0.0, 47.3452606201172, 0.0, 0.0, 0.0, 0.0, 0.0, 827.613708496094, 41.906608581543, 4.58496236801147, 16.0, 817.472778320312, 0.0, 397.059997558594, 0.0, 606.471252441406, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 9.72361469268799, 2.0, 0.0, 0.428571432828903, 5.54011106491089, 0.0, 0.0, 0.0, 0.856304705142975, 0.0, 4.48929786682129, 4.0, 0.0, 0.200000002980232, 0.0, 3.91238260269165, 0.383276641368866, 3.61440801620483, 0.0, 0.0, 1.7799928188324, 0.0, 0.0, 0.443036794662476, 0.0, 0.0, 0.0, 0.0, -0.026647724211216, 0.0, 0.753101885318756, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H19N3O%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29, , 1.65835106372833 1.65835106372833, 1.56547617912292, -0.00441793631762266, 1.0, 0.0, 0.0, 2.33684420585632 2.33684420585632, 0.949337959289551, 3.39187172357924e-05, , 0.0, 2.66977548599243 2.66977548599243, 0.00385844125412405, , 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 72.0, 258.0, 0.599646627902985 0.599646627902985, 0.0, 0.0, 0.0, 0.0, 0.650233328342438 0.650233328342438, 0.0, 0.0, 0.0, 14.0625, 0.0, 0.0, 0.666209399700165 0.666209399700165, 0.0, 7.34999990463257, 0.0, 0.0, 0.0, 0.0, 5.26446294784546, 0.0833333358168602, 0.0, 0.0, 0.0, 0.107038088142872, 10.0021066665649, 0.0277777779847383, 5.42597389221191, 0.0335307456552982, , 2.18224716186523, 0.540890634059906, 0.0, 3.92863917350769, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.10518312454224, 0.0, 0.0170103460550308, , 1.30994391441345, 3.0, 0.0, 0.0, 0.852125883102417, 0.0, , , 0.0, 0.436431765556335, 0.0, 53.1599998474121, 0.0, 0.211846768856049, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.8544330596924, 2.0, 0.0, 17.3568210601807, 0.0, , 511.0, 0.481411129236221, 874.340515136719, 1.0, 0.0, 21.8826694488525, 2.71033310890198, 946.996643066406, 0.0, 0.0, 20.8272018432617, 0.0, 0.0, 0.0, , 3.01495409011841, 1167.48107910156, 19.3254795074463, 5.0, 19.0, 1087.93786621094, 0.0, 985.039978027344, 0.0, 894.109619140625, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 0.0, , , 3.0, 0.0, , 0.0, 0.784136950969696, 0.0, 0.0, 0.0, 5.0, 0.0, 11.9662551879883, , , 0.454545468091965, 7.63022899627686, 0.0, 3.0, 0.0, 1.01474142074585, 0.0, 6.52986717224121, 1.0, 0.0, 4.88359355926514, 0.0, 4.50526475906372, 0.117851130664349, 8.42557334899902, 0.0, 0.0, 3.4747622013092, 4.0, 0.0, 0.231188222765923, 0.0, 0.0, 0.0, 1.0, -0.102847494184971, 0.0, 2.44781398773193, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3, , 0.492799282073975 0.492799282073975, 0.564968049526215, 0.0289574041962624, 6.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.144337564706802, -0.0211941730231047, , 0.0, 0.55258584022522 0.55258584022522, -0.00434306636452675, , 0.0, 1.0, 0.0, 0.0, 0.0, 40.0, 116.0, 0.182246178388596 0.182246178388596, 0.0, 0.0, 0.0, 0.0, 0.207735031843185 0.207735031843185, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 0.211535513401031 0.211535513401031, 0.0, 8.10000038146973, 0.0, 0.0, 0.0, 0.0, 6.40000009536743, 0.0, 0.0, 0.0, 0.0, 0.0, 7.54531621932983, 0.0, 4.42924308776855, 0.0, , 0.0, 0.100000001490116, 0.0, 2.74241948127747, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.65503239631653, 0.0, 0.0, , 0.874708950519562, 2.0, 0.0, 0.0, 0.580877065658569, , , , 0.0, 0.271750599145889, 0.0, 32.6699981689453, 0.0, 0.111803397536278, , 0.0, 0.0, 0.0, , 0.0, 12.4944448471069, 0.0, 0.0, 11.2458248138428, 0.0, , 188.0, 0.125, 451.663146972656, 0.0, 0.0, 11.218207359314, 3.65134453773499, 442.697601318359, 0.0, 0.0, 11.3289251327515, 0.0, 0.0, 0.0, , 0.0, 445.069641113281, 10.3289251327515, 4.45943164825439, 10.0, 412.456115722656, 0.0, 674.030029296875, 0.0, 345.194702148438, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 4.0, 0.0, 8.52709770202637, , , 0.5, 5.34606504440308, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 3.55873084068298, 0.0, 0.0, 6.12046384811401, , 2.509202003479, 0.0, 0.0, 0.0, 0.0, 1.53818440437317, 0.0, 0.0, 0.0583857148885727, 0.0, 0.0, 0.0, 1.0, -0.0322742648422718, 1.0, 1.07014954090118, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H19N3O.ClH%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%3B%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29%3B1H, , 1.65835106372833 1.65835106372833, 1.56547617912292, -0.00441793631762266, 1.0, 0.0, 0.0, 2.33684420585632 2.33684420585632, 0.949337959289551, 3.39187172357924e-05, , 0.0, 2.66977548599243 2.66977548599243, 0.00385844125412405, , 0.0, 999.0009765625, 0.0, 0.0, 0.0, 72.0, 1935228928.0, 0.599646627902985 0.599646627902985, 0.0, 0.0, 0.0, 0.0, 0.650233328342438 0.650233328342438, 0.0, 0.0, 0.0, 17.0, 0.0, 0.0, 0.666209399700165 0.666209399700165, 0.0, 9.0, 0.0, 0.0, 0.0, 0.0, 6.47933864593506, 0.0833333358168602, 0.0, 0.0, 0.0, 0.107038088142872, 11.2268514633179, 0.0277777779847383, 5.42597389221191, 0.0335307456552982, , 2.18224716186523, 0.540890634059906, 0.0, 3.92863917350769, 0.0, 0.0, , 0.0, 0.0, 0.0, 2.10518312454224, 0.0, 0.0170103460550308, , 1.30994391441345, 3.0, 0.0, 0.0, 0.852125883102417, , , , 0.0, 0.436431765556335, 0.0, 53.1599998474121, 0.0, 0.211846768856049, , 0.0, 0.0, 0.0, , 0.0, 26.5671863555908, 2.0, 0.0, 17.3568210601807, 0.0, , 16000000000.0, 0.481411129236221, 881.793395996094, 1.0, 0.0, 21.8826694488525, 2.71033310890198, 946.996643066406, 0.0, 0.0, 20.8272018432617, 0.0, 0.0, 0.0, , 3.01495409011841, 1167.48107910156, 19.3254795074463, 5.08746290206909, 19.0, 1087.93786621094, 0.0, 1024.05004882812, 0.0, 894.109619140625, 2.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 0.0, , , 3.0, 0.0, , , 0.784136950969696, 0.0, 0.0, 0.0, 5.0, 0.0, 11.9662551879883, , , 0.999000012874603, 7.63022899627686, 0.0, 3.0, 0.0, 1.01474142074585, 0.0, 6.52986717224121, 1.0, 0.0, 4.88359355926514, , 4.50526475906372, 0.117851130664349, 8.42557334899902, 0.0, 0.0, 3.4747622013092, 4.0, 0.0, 0.231188222765923, 0.0, 0.0, 0.0, 1.0, -0.102847494184971, 0.0, 2.44781398773193, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H6O2%2Fc1-3-2-4%285%296-3%2Fh3H%2C2H2%2C1H3, 0.0, 0.666666686534882 0.666666686534882, 0.0, 0.0391573421657085, 1.0, 1.0, 0.0, 0.666666686534882 0.666666686534882, 0.0, -0.0263363141566515, 0.0, 0.0, 0.0 0.0, -0.00891087669879198, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 28.0, 34.0, 0.234708055853844 0.234708055853844, 0.0, 0.0, 0.0, 0.0, 0.136082768440247 0.136082768440247, 0.0, 0.5, 0.0, 4.16666650772095, 0.16666667163372, 0.0, 0.0 0.0, 0.0, 1.25, 0.333333343267441, 0.0, 0.0, 0.0833333358168602, 0.75, 0.16666667163372, 0.117354027926922, 0.0, 0.0, 0.0, 3.60095357894897, 0.0340206921100616, 1.98310256004333, 0.0, , 0.5, 0.225592225790024, 0.0, 1.5046010017395, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.786754488945007, 0.0, 0.0, 0.0, 0.36615389585495, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.2999992370605, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.54893827438354, 0.0, 0.0, 6.99627590179443, 0.0, 0.0, 28.0, 0.0, 157.472045898438, 1.0, 0.0, 7.77074480056763, 0.5, 167.345428466797, 0.0, 0.0, 2.33209204673767, 0.0, 0.0, 0.0, 0.0, 1.15470051765442, 151.358871459961, 1.33209192752838, 3.58496260643005, 2.0, 45.2725982666016, 0.0, 114.019996643066, 0.0, 16.9022789001465, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 4.56891393661499, 0.0, 0.0, 0.5, 2.78769373893738, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 2.6817479133606, 1.0, 0.0, 0.0, 0.0, 1.60947573184967, 0.0, 2.0, 0.0, 0.0, 1.13807117938995, 0.0, 0.0, 0.272486239671707, 0.0, 0.0, 0.0, 1.0, -0.140153273940086, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H8%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3, , 0.40824830532074 0.40824830532074, 0.20412415266037, 0.0, 0.0, , , 0.433012694120407 0.433012694120407, 0.0, 0.0, , , 0.40824830532074 0.40824830532074, 0.0, , 0.0, 0.333333343267441, , , , 30.0, 45.0, 0.19245009124279 0.19245009124279, , 0.0, , 0.0, 0.16666667163372, 0.0, 0.0, , 5.14285707473755, 0.0, , 0.128300055861473, 0.0, 2.34375, 0.0, 0.0, , 0.0, 1.5, 0.102062076330185, 0.0, , 0.0, 0.102062076330185, 4.38675117492676, 0.0320750139653683, 2.41068363189697, 0.0320750139653683, , 0.0, 0.16666667163372, , 1.65470051765442, 0.0, 0.0, , 0.0, , 0.0, 0.940455734729767, 0.0, 0.0, , 0.534377872943878, 1.0, 0.0, , 0.303561210632324, , , , 0.0, 0.0641500279307365, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 7.0, 1.0, , 7.0, 0.0, , 42.0, 0.0, 310.962677001953, 0.0, 0.0, 8.0, 1.85053586959839, 320.438293457031, 0.0, 0.0, 5.0, 0.0, , , , 1.0, 355.858245849609, 1.0, 3.80735492706299, 5.0, 213.793838500977, , 183.0, 0.0, 36.9196434020996, 1.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, , , , 1.0, 0.0, , , 0.0, 0.0, , 0.0, 5.0, , 5.11288404464722, , , 0.25, 3.3938467502594, 0.0, , , 0.288675129413605, , 2.74318218231201, 0.0, 0.0, 6.08364343643188, , 1.89384686946869, 0.0, 3.04182171821594, , , 1.30671286582947, 5.0, , 0.0, 0.0, 0.0, , , 0.0, , 0.901047587394714, , , 
-InChI%3D1S%2FC9H8O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-4H%2C5-6H2, 0.0, 1.29197371006012 1.29197371006012, 1.43704426288605, 0.0508396066725254, 2.0, 1.0, 0.0, 1.95425176620483 1.95425176620483, 0.811929047107697, -0.0131265455856919, 0.0, 0.0, 2.71106457710266 2.71106457710266, -0.0113057093694806, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 56.0, 108.0, 0.441986858844757 0.441986858844757, 0.0, 0.0, 0.0, 0.0, 0.569400668144226 0.569400668144226, 0.0, 0.5, 0.0, 7.63888883590698, 0.0, 0.0, 0.627074122428894 0.627074122428894, 0.0, 3.1640625, 0.0, 0.0, 0.0, 0.0, 1.60000002384186, 0.151374712586403, 0.0, 0.0, 0.0, 0.282117545604706, 6.04011106491089, 0.0532932952046394, 3.64682960510254, 0.0708615332841873, , 1.65096366405487, 0.219913199543953, 0.0, 2.58179330825806, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.79486393928528, 0.0, 0.0240562614053488, 0.0, 1.22033607959747, 0.0, 0.0, 0.0, 0.839010834693909, 0.0, 0.0, 0.0, 0.0, 0.366250514984131, 0.0, 26.2999992370605, 0.0, 0.177149802446365, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.5489377975464, 1.0, 0.0, 12.9962759017944, 0.0, 0.0, 144.0, 0.0, 552.516235351562, 1.0, 0.0, 18.1028366088867, 0.0, 629.067138671875, 0.0, 0.0, 15.6604595184326, 0.0, 0.0, 0.0, 0.0, 0.0, 830.081115722656, 8.99627590179443, 4.45943164825439, 14.0, 700.335083007812, 0.0, 290.019989013672, 0.0, 352.019012451172, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 7.68179845809937, 0.0, 0.0, 0.5, 5.36017322540283, 0.0, 0.0, 0.0, 0.622008442878723, 0.0, 4.72284078598022, 0.0, 0.0, 6.63197565078735, 0.0, 3.80187177658081, 0.0833333358168602, 8.44211196899414, 0.0, 0.0, 3.1080687046051, 4.0, 0.0, 0.262897163629532, 0.0, 0.0, 0.0, 1.0, -0.156746551394463, 0.0, 2.60960268974304, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H2, 0.0, 0.492799282073975 0.492799282073975, 0.348461717367172, -0.0434911251068115, 4.0, 1.0, 0.0, 0.594861328601837 0.594861328601837, 0.144337564706802, 0.0417371280491352, 0.0, 0.0, 0.492799282073975 0.492799282073975, -0.0228160358965397, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 60.0, 0.105219885706902 0.105219885706902, 0.0, 0.0, 0.0, 0.0, 0.119935870170593 0.119935870170593, 0.0, 0.333333343267441, 0.0, 6.125, 0.0, 0.0, 0.105219885706902 0.105219885706902, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 4.53935098648071, 0.0456435456871986, 2.67005133628845, 0.020412415266037, , 0.0, 0.0577350258827209, 0.0, 1.69775724411011, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.07511615753174, 0.0, 0.0, 0.0, 0.647994935512543, 0.0, 0.0, 0.0, 0.398262977600098, 0.0, 0.0, 0.0, 0.0, 0.0730223581194878, 0.0, 41.9000015258789, 0.0, 0.0166666675359011, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.2689142227173, 0.0, 0.0, 9.96519756317139, 0.0, 0.0, 64.0, 0.0, 258.424560546875, 0.0, 0.0, 11.2696714401245, 0.0, 270.599090576172, 0.0, 0.0, 8.9372091293335, 0.0, 0.0, 0.0, 0.0, 0.0, 301.802093505859, 3.83036923408508, 4.0, 7.0, 206.690292358398, 0.0, 200.039993286133, 0.0, 65.7576675415039, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 5.81999111175537, 0.0, 0.0, 0.400000005960464, 3.9318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.91228413581848, 0.0, 0.0, 3.96540641784668, 0.0, 2.30209517478943, 0.0, 0.0, 0.0, 0.0, 1.59538793563843, 0.0, 0.0, 0.135464951395988, 0.0, 0.0, 0.0, 1.0, -0.0385059863328934, 1.0, 1.10517168045044, 0.0, 0.0, 0.0
-InChI%3D1S%2FC15H18N4O5%2Fc1-5-9%2816%2912%2821%298-6%284-24-14%2817%2922%2915%2823-2%2913-7%2818-13%293-19%2815%2910%288%2911%285%2920%2Fh6-7%2C13%2C18H%2C3-4%2C16H2%2C1-2H3%2C%28H2%2C17%2C22%29%2Ft6-%2C7%2B%2C13%3F%2C15%3F%2Fm1%2Fs1, 0.0, 6.40712785720825 6.40712785720825, 5.94660329818726, 0.0671673864126205, 2.0, 2.0, 0.0, 11.5166835784912 11.5166835784912, 4.49699115753174, 0.0280036497861147, 0.0, 0.0, 18.1537322998047 18.1537322998047, -0.126031562685966, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 142.0, 356.0, 2.75357437133789 2.75357437133789, 0.0, 0.458566069602966, 0.0, 0.235702261328697, 4.53292608261108 4.53292608261108, 0.16666667163372, 1.31556057929993, 0.0, 17.4156379699707, 0.284517794847488, 0.0, 6.02814149856567 6.02814149856567, 0.0, 5.75, 0.206930264830589, 0.0, 0.0, 0.201184466481209, 2.19809699058533, 1.08718776702881, 0.143905058503151, 1.0, 0.0, 2.27339005470276, 13.2510347366333, 0.58327841758728, 7.63234901428223, 0.980404198169708, , 16.2191200256348, 1.10323464870453, 1.0, 6.44536304473877, 0.0, 4.30178546905518, 0.0, 0.0304290316998959, 0.0, 0.0, 5.30238199234009, 0.0, 0.352926284074783, 0.0, 4.19048261642456, 2.0, 0.0303006786853075, 0.0, 3.11902236938477, 0.0, 0.0, 0.0, 0.0, 2.11770963668823, 0.0, 147.880004882812, 0.125, 1.3911064863205, 0.0, 0.28571429848671, 2.0, 0.0, 0.0, 0.365148365497589, 29.3122978210449, 1.0, 0.0, 30.4879398345947, 0.25, 0.0, 1115.0, 0.142857149243355, 1848.38940429688, 7.0, 0.0, 47.2551765441895, 0.854574024677277, 2383.8544921875, 1.0, 0.0, 57.165340423584, 0.0, 0.0, 0.0, 0.0, 5.13514757156372, 3744.2587890625, 56.5798225402832, 5.58496236801147, 49.0, 4093.80590820312, 0.0, 1473.08996582031, 0.63245552778244, 3598.466796875, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.333333343267441, 3.0, 0.0, 17.3863868713379, 0.0, 0.0, 0.444444447755814, 11.3402767181396, 0.0, 1.0, 0.0, 2.37026929855347, 0.0, 11.0792541503906, 3.0, 0.0680413842201233, 0.25, 0.0, 10.0579414367676, 0.983764111995697, 6.89236164093018, 0.0, 0.0, 8.63603973388672, 0.0, 0.0, 0.850003778934479, 0.0833333358168602, 1.0, 0.0, 2.0, -0.452351659536362, 1.0, 7.38221883773804, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H14N8S3%2Fc10-6-7%2817-20-16-6%2913-1-2-18-3-5-4-19-9%2814-5%2915-8%2811%2912%2Fh4H%2C1-3H2%2C%28H2%2C10%2C16%29%28H%2C13%2C17%29%28H4%2C11%2C12%2C14%2C15%29, 0.0, 2.04248833656311 2.04248833656311, 1.96641004085541, 0.0832501947879791, 3.0, 0.0, 0.0, 2.99949240684509 2.99949240684509, 1.34123980998993, 0.00632217526435852, 0.0, 0.0, 2.52201461791992 2.52201461791992, 0.0171732269227505, 0.0, 0.0, 0.857142865657806, 0.0, 0.0, 2.0, 96.0, 434.0, 0.826790273189545 0.826790273189545, 0.0, 0.0, 0.0, 0.0, 1.25393092632294 1.25393092632294, 0.0, 0.0, 1.0, 16.3718814849854, 0.0, 0.0, 1.02955293655396 1.02955293655396, 0.0, 8.44444465637207, 0.235702261328697, 0.0, 0.0, 0.0, 5.731529712677, 0.367851138114929, 0.140294179320335, 0.0, 0.0, 0.308222562074661, 12.8692464828491, 0.161404132843018, 8.36453437805176, 0.15550871193409, , 2.12515473365784, 0.420837938785553, 2.0, 6.15182685852051, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.43783855438232, 0.0, 0.0144337564706802, 0.0, 3.3130669593811, 0.0, 0.0, 0.0, 2.00336170196533, 0.0, 0.0, 0.0, 0.0, 1.37828421592712, 0.0, 220.399993896484, 0.430674374103546, 0.913489937782288, 0.0, 2.58941793441772, 0.0, 0.0, 0.0, 0.0, 41.2631645202637, 0.0, 0.0, 33.7341079711914, 0.0, 0.0, 1053.0, 0.0, 1564.38989257812, 1.0, 0.0, 43.2590675354004, 0.0, 1724.7939453125, 0.0, 0.0, 36.5402870178223, 0.0, 0.0, 0.0, 0.0, 0.0, 2168.78759765625, 36.0811233520508, 5.32192802429199, 21.0, 1666.66906738281, 0.0, 845.109985351562, 0.0, 1487.08630371094, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 2.01364183425903, 0.0, 0.0, 0.0, 1.0, 0.0, 14.3720331192017, 0.0, 0.0, 0.461538463830948, 9.64786720275879, 0.0, 2.0, 0.0, 1.21886551380157, 0.0, 8.48093032836914, 0.0, 0.0, 2.40685200691223, 0.0, 6.18097400665283, 0.117851130664349, 5.34212827682495, 3.0, 0.0, 4.98884916305542, 1.0, 0.0, 0.400347799062729, 0.0, 0.0, 0.0, 0.0, -0.288302630186081, 0.0, 2.96899318695068, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H8%2Fc1-4-5%282%293%2Fh4H%2C1-2H2%2C3H3, 0.0, 0.40824830532074 0.40824830532074, 0.0, -0.000239547895034775, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, -7.99172357801581e-06, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.144337564706802 0.144337564706802, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.49156379699707, 0.0, 1.55047678947449, 0.0, , 0.0, 0.20412415266037, 0.0, 1.05047678947449, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.348461717367172, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 4.0, 0.0, 0.0, 18.0, 1.14471423625946, 186.856338500977, 1.0, 0.0, 4.0, 1.88988161087036, 163.763259887695, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 2.38110160827637, 144.089981079102, 0.0, 3.32192802429199, 2.0, 59.185001373291, 0.0, 124.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 1.0, 0.0, 0.0, 0.40824830532074, 0.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.00146101729478687, 0.0, 0.0, 0.0, 0.0, -0.000482969044242054, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10H16%2Fc1-8%282%2910-6-4-9%283%295-7-10%2Fh4%2C10H%2C1%2C5-7H2%2C2-3H3%2Ft10-%2Fm0%2Fs1, 0.0, 1.44868838787079 1.44868838787079, 0.919957399368286, -0.00438785087317228, 3.0, 0.0, 0.0, 1.40419375896454 1.40419375896454, 0.19245009124279, 0.001416519517079, 0.0, 0.0, 1.49826681613922 1.49826681613922, 0.00249123969115317, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 46.0, 88.0, 1.00914525985718 1.00914525985718, 0.0, 0.0, 0.0, 0.0, 0.922237157821655 0.922237157821655, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.911621332168579 0.911621332168579, 0.0, 3.40828394889832, 0.0, 0.0, 0.0, 0.0, 2.28571438789368, 0.0833333358168602, 0.0, 0.0, 0.0, 0.131445854902267, 6.98312759399414, 0.0589255653321743, 4.009202003479, 0.0883883461356163, , 1.31037068367004, 0.55258584022522, 0.0, 3.36813020706177, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.33489084243774, 0.0, 0.102062076330185, 0.0, 1.41284239292145, 2.0, 0.0, 0.0, 0.977168560028076, 0.0, 0.0, 0.0, 1.0, 0.542827665805817, 0.0, 0.0, 0.0, 0.100592233240604, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 10.0, 1.0, 0.0, 10.0, 0.0, 0.0, 120.0, 0.721124768257141, 613.598327636719, 2.0, 0.0, 13.0, 3.88832259178162, 660.84912109375, 0.0, 0.0, 11.0, 0.0, 0.0, 0.0, 0.0, 3.86777687072754, 821.058654785156, 6.0, 4.32192802429199, 11.0, 659.888305664062, 0.0, 586.0, 0.0, 328.919525146484, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 3.0, 0.0, 7.56047773361206, 0.0, 0.0, 0.5, 4.69837713241577, 1.0, 0.0, 0.0, 0.788675129413605, 0.0, 4.26396894454956, 1.0, 0.0, 3.30192732810974, 0.0, 3.00332260131836, 0.16666667163372, 7.06555128097534, 0.0, 0.0, 1.95252978801727, 0.0, 0.0, 0.00875798985362053, 0.0, 0.0, 0.0, 0.0, -0.00237844698131084, 0.0, 1.44913530349731, 0.0, 0.0, 0.0
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-InChI%3D1S%2F2C8H16O2.Ca%2Fc2%2A1-3-5-7%286-4-2%298%289%2910%3B%2Fh2%2A7H%2C3-6H2%2C1-2H3%2C%28H%2C9%2C10%29%3B%2Fq%3B%3B%2B2%2Fp-2, 0.0, 2.0808801651001 2.0808801651001, 0.288675129413605, 0.0360396280884743, 8.0, 0.0, 0.0, 2.24754691123962 2.24754691123962, 0.0, -0.0218502674251795, 0.0, 0.0, 2.41421365737915 2.41421365737915, -0.00115217443089932, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 76.0, 1640261632.0, 0.526099443435669 0.526099443435669, 0.0, 4.76220293421648e-06, 0.0, 0.0, 0.719252526760101 0.719252526760101, 0.0, 0.0, 0.0, 25.9259262084961, 0.0, 0.0, 0.455341815948486 0.455341815948486, 0.0, 18.0499992370605, 0.0, 0.0, 0.0, 0.0, 16.2000007629395, 0.0, 0.0, 0.0, 0.0, 0.0, 12.6280517578125, 0.0, 7.44701862335205, 0.0, , 6.00000021222513e-06, 0.288675129413605, 0.0, 4.78424978256226, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.88188076019287, 0.0, 0.0, 0.0, 1.91822421550751, 4.0, 0.0, 0.0, 0.813052535057068, 0.0, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 80.2600021362305, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 34.2324447631836, 2.0, 0.0, 19.3283672332764, 0.0, 0.0, 120000004096.0, 3.30192733599688e-06, 820.450073242188, 2.0, 0.0, 22.8773059844971, 0.000638105499092489, 821.871032714844, 0.0, 0.0, 22.6567363739014, 0.0, 0.0, 0.0, 0.0, 0.000271847093245015, 877.936950683594, 20.6567363739014, 5.39231729507446, 20.0, 808.947570800781, 0.0, 1884.05004882812, 0.0, 607.306823730469, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.0, 0.0, 15.9662551879883, 0.0, 0.0, 0.999000012874603, 9.43748760223389, 0.0, 0.0, 0.0, 1.0, 0.0, 7.16289377212524, 2.0, 0.0, 0.000148468490806408, 0.0, 4.52348184585571, 0.333333343267441, 0.000741741037927568, 0.0, 0.0, 3.10517168045044, 0.0, 0.0, 0.529590725898743, 0.0, 0.0, 0.0, 2.0, -0.277801841497421, 0.0, 1.91068363189697, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2, 0.0, 2.75547456741333 2.75547456741333, 0.5, 0.241666406393051, 3.0, 0.0, 0.0, 3.98138046264648 3.98138046264648, 0.0, -0.274789959192276, 0.0, 0.0, 4.25974035263062 4.25974035263062, 0.111579388380051, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 68.0, 86.0, 5.20491981506348 5.20491981506348, 0.0, 0.0, 0.0, 0.866025388240814, 6.78556060791016 6.78556060791016, 0.670820415019989, 0.0, 0.0, 6.50887584686279, 0.433012694120407, 0.0, 7.15731143951416 7.15731143951416, 1.5, 1.83673465251923, 0.0, 0.0, 1.0, 0.899999976158142, 0.87791496515274, 0.70710676908493, 0.0, 0.0, 0.0, 2.00969266891479, 8.15066719055176, 1.13841998577118, 6.84053421020508, 3.33132171630859, , 0.0, 2.00590062141418, 0.0, 7.56757068634033, 0.0, 0.0, 0.0, 0.146969377994537, 0.0, 0.0, 7.19453144073486, 0.0, 1.16590058803558, 0.0, 5.42447853088379, 0.0, 0.220454081892967, 0.0, 2.27683997154236, 0.0, 0.0, 0.0, 0.0, 0.804984450340271, 0.0, 50.9300003051758, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.8581314086914, 0.0, 0.0, 25.9042739868164, 0.0, 0.0, 139.0, 0.0, 640.454650878906, 0.0, 0.0, 28.8933944702148, 0.0, 812.268615722656, 0.0, 0.0, 30.0129337310791, 0.0, 0.0, 0.0, 0.0, 0.0, 825.699401855469, 12.0, 4.45943164825439, 18.0, 937.596557617188, 0.0, 515.049987792969, 0.0, 512.161071777344, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.47469139099121, 0.0, 0.0, 0.5, 5.31551504135132, 0.0, 0.0, 0.0, 1.02923774719238, 0.0, 5.18884658813477, 0.0, 0.0962250456213951, 4.94815444946289, 0.0, 3.50498390197754, 0.644337594509125, 0.0, 0.0, 0.0, 2.86602544784546, 0.0, 0.0, 0.229506134986877, 0.144337564706802, 0.0, 0.0, 0.0, -0.193208903074265, 3.0, 1.41421353816986, 0.0, 0.0, 0.0
-InChI%3D1S%2FC14H7Br2NO2%2Fc15-8-5-9%2816%2912%2817%2911-10%288%2913%2818%296-3-1-2-4-7%286%2914%2811%2919%2Fh1-5H%2C17H2, 0.0, 4.3491005897522 4.3491005897522, 3.65047097206116, -0.0117851290851831, 0.0, 0.0, 0.0, 7.69994640350342 7.69994640350342, 2.53844237327576, -0.1156917065382, 0.0, 0.0, 12.7544097900391 12.7544097900391, -0.175927549600601, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 106.0, 250.0, 2.17456483840942 2.17456483840942, 0.0, 0.200000002980232, 0.0, 0.0, 3.44091868400574 3.44091868400574, 0.0, 0.0, 0.0, 13.9591836929321, 0.0, 0.0, 4.74156284332275 4.74156284332275, 0.0, 5.080078125, 0.0, 0.0, 0.0, 0.0, 2.08601188659668, 0.16573129594326, 0.0, 0.0, 0.0, 0.453905135393143, 12.7085199356079, 0.0614449754357338, 7.06558513641357, 0.17352993786335, , 17.2629127502441, 1.01051509380341, 1.0, 5.91639375686646, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.4208607673645, 0.0, 0.262178868055344, 0.0, 3.58255457878113, 0.0, 0.0, 0.0, 2.28682661056519, 0.0, 0.0, 0.0, 0.0, 1.42971575260162, 0.0, 60.1599998474121, 0.0, 0.776680588722229, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 107.425109863281, 4.0, 0.0, 33.1357192993164, 0.0, 0.0, 592.0, 0.0, 1727.15197753906, 2.0, 0.0, 56.2714385986328, 0.0, 2103.46752929688, 0.0, 0.0, 76.1769180297852, 0.0, 0.0, 0.0, 0.0, 0.0, 3153.36572265625, 118.756385803223, 5.24792766571045, 38.0, 3470.5986328125, 0.0, 442.049987792969, 0.0, 2836.1240234375, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 8.0, 0.0, 13.7316865921021, 2.0, 0.0, 0.5, 9.01974487304688, 0.0, 0.0, 0.0, 1.54314255714417, 0.0, 8.53448677062988, 0.0, 0.0, 3.81983685493469, 0.0, 7.78956651687622, 0.656827688217163, 14.0497217178345, 0.0, 0.0, 6.83024263381958, 5.0, 0.0, 0.336182296276093, 0.0, 0.0, 0.0, 2.0, -0.0354607626795769, 0.0, 5.66599321365356, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H10N2O.H2O4S%2Fc1-10-7-3-2-5%288%294-6%287%299%3B1-5%282%2C3%294%2Fh2-4H%2C8-9H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29, 0.0, 1.40924251079559 1.40924251079559, 0.830066502094269, 0.0382863394916058, 0.0, 1.0, 0.0, 1.94750583171844 1.94750583171844, 0.144337564706802, 0.0300029758363962, 0.0, 0.0, 2.06838130950928 2.06838130950928, -0.047865267843008, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 66.0, -2064771072.0, 0.388455599546432 0.388455599546432, 0.0, 3.0, 1.0, 0.0, 0.43373367190361 0.43373367190361, 0.0, 3.99999988687227e-09, 0.0, 15.0, 0.0, 0.0, 0.356309950351715 0.356309950351715, 0.0, 6.55401659011841, 0.0, 0.0, 0.0, 0.0, 8.96000003814697, 0.0680413842201233, 0.0, 2.0, 0.0, 0.184195280075073, 8.37303352355957, 0.0240562614053488, 4.41131544113159, 0.0375987067818642, , 1.65096366405487, 0.509343504905701, 2.0, 2.95257544517517, 0.0, 0.0, 0.0, 0.0289036650210619, 0.0, 0.0, 1.2537579536438, 0.0, 0.0196418557316065, 0.0, 0.752830326557159, 1.0, 0.0, 0.0, 0.381072014570236, 0.0, 0.0, 0.0, 0.0, 0.162390694022179, 0.0, 144.25, 0.25, 0.0253119710832834, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.7200736999512, 0.0, 0.0, 25.2221527099609, 0.0, 0.0, 49999998976.0, 0.0, 630.21337890625, 0.0, 0.0, 24.9757385253906, 0.825481832027435, 653.984497070312, 0.0, 0.0, 13.8823909759521, 0.0, 0.0, 0.0, 0.0, 0.965489387512207, 828.301086425781, 8.19063568115234, 4.90689039230347, 12.0, 554.458435058594, 0.0, 466.079986572266, 0.0, 267.417816162109, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 12.0604782104492, 0.0, 0.0, 0.999000012874603, 6.73638200759888, 0.0, 0.0, 0.0, 2.69104409217834, 0.0, 7.06383609771729, 0.0, 0.5, 1.65096366405487, 0.0, 3.13352584838867, 0.117851130664349, 5.85380077362061, 0.0, 0.0, 2.33458280563354, 3.0, 0.0, 0.502898931503296, 0.0, 0.0, 0.0, 2.0, -0.311928987503052, 0.0, 1.39430165290833, 0.0, 0.0, 0.0
-InChI%3D1S%2FH2SSe%2Fc1-2%2Fh2H2, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 2.0, 2.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.34606528282166, 0.0, 2.5980761051178, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.0900001525879, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 50.3461151123047, 0.0, 0.0, 17.5513477325439, 0.0, 0.0, 1.0, 0.0, 24.6401996612549, 0.0, 0.0, 0.0, 0.0, 12.3200998306274, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.01999998092651, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 51.0766372680664, 0.0, 0.0, 0.0, 0.0, -25.5383186340332, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2F2ClH.Hg%2Fh2%2A1H%3B%2Fq%3B%3B%2B2%2Fp-2, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 296.370788574219, 0.0, 0.0, 0.0, 0.0, 0.0, 3000000000.0, 0.0, 10.9792976379395, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 6.03000020980835, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.999000012874603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC39H59Cl2NO2%2Fc1-27%282%297-6-8-28%283%2934-15-16-35-33-14-11-30-26-32%2817-19-38%2830%2C4%2936%2833%2918-20-39%2834%2C35%295%2944-37%2843%2925-29-9-12-31%2813-10-29%2942%2823-21-40%2924-22-41%2Fh9-13%2C27-28%2C32-36H%2C6-8%2C14-26H2%2C1-5H3%2Ft28-%2C32%2B%2C33%3F%2C34-%2C35%2B%2C36%2B%2C38%3F%2C39%3F%2Fm1%2Fs1, 0.0, 8.62204551696777 8.62204551696777, 8.44656085968018, -0.0677409395575523, 16.0, 1.0, 2.0, 14.8657922744751 14.8657922744751, 6.51268815994263, 0.148075386881828, 0.0, 0.0, 20.7547798156738 20.7547798156738, -0.020744388923049, 0.0, 0.0, 0.923076927661896, 0.0, 0.0, 0.0, 236.0, 1761.0, 7.09309577941895 7.09309577941895, 0.0, 0.0, 0.0, 0.0, 12.0242528915405 12.0242528915405, 0.0, 0.5, 0.0, 35.3107643127441, 0.0, 0.0, 16.3666038513184 16.3666038513184, 0.0, 15.4799995422363, 0.0833333358168602, 2.0, 0.0, 0.0, 7.84765625, 0.47696790099144, 0.0833333358168602, 0.0, 0.0, 1.06582605838776, 29.7734088897705, 0.399425983428955, 19.0037002563477, 0.893241763114929, , 9.73582553863525, 3.03668212890625, 0.0, 16.6085777282715, 0.0, 5.75059032440186, 0.0, 0.219913199543953, 0.0, 0.0, 13.2548694610596, 0.0, 0.972487211227417, 0.0, 10.9536046981812, 5.0, 0.179558381438255, 0.0, 8.23471736907959, 0.0, 0.0, 0.0, 0.0, 6.18428897857666, 0.0, 29.5400009155273, 0.0, 4.45480728149414, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 61.3344345092773, 7.0, 0.0, 53.398307800293, 0.0, 0.0, 8379.0, 1.54697179794312, 3793.55859375, 2.0, 0.0, 76.6710510253906, 12.0341920852661, 4542.79345703125, 2.0, 0.0, 85.8773727416992, 0.0, 0.0, 0.0, 0.0, 8.45406913757324, 6729.41943359375, 87.6298675537109, 6.45943164825439, 79.0, 7348.12646484375, 0.0, 9557.0498046875, 2.24225974082947, 6702.08447265625, 2.0, 0.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 9.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 18.0, 0.0, 31.4845523834229, 0.0, 0.0, 0.479999989271164, 21.0837211608887, 1.0, 0.0, 0.0, 3.69371318817139, 0.0, 19.522518157959, 7.0, 0.235702261328697, 0.0, 0.0, 16.3239517211914, 1.10567438602448, 38.9654388427734, 0.0, 0.0, 14.0724639892578, 4.0, 0.0, 0.461766391992569, 0.203263133764267, 7.5461630821228, 0.0, 1.0, -0.242056325078011, 1.0, 11.1420593261719, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H7NO%2Fc1-3%282%294-5%2Fh5H%2C1-2H3, 0.0, 0.40824830532074 0.40824830532074, 0.0, -0.012196091003716, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, -0.00618324382230639, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.100000001490116 0.100000001490116, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 1.0, 0.0, 0.0, 3.39442729949951, 0.0, 1.4236067533493, 0.0, , 0.0, 0.223606795072556, 0.0, 1.04721355438232, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.200000002980232, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.5900001525879, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.13445711135864, 0.0, 0.0, 4.719651222229, 0.0, 0.0, 18.0, 0.5, 127.862686157227, 1.0, 0.0, 4.66446256637573, 0.0, 111.025901794434, 0.0, 0.0, 2.66418385505676, 0.0, 0.0, 0.0, 0.0, 2.0, 99.3422317504883, 0.0, 3.32192802429199, 2.0, 37.0827751159668, 0.0, 101.019996643066, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 0.0, 0.0, 0.0, 0.40824830532074, 1.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0244477801024914, 0.0, 0.0, 0.0, 0.0, 0.00615544570609927, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H3Cl2F%2Fc1-2%283%2C4%295%2Fh1H3, 0.0, 0.0 0.0, 0.0, 0.0166832506656647, 0.0, 0.0, 2.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 12.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 4.14575147628784, 0.0, 1.82287561893463, 0.0, , 0.0, 1.31440567970276, 0.0, 2.3943042755127, 0.0, 0.0, 0.0, 0.242977157235146, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.9275512695312, 0.0, 0.0, 8.48526000976562, 0.0, 0.0, 16.0, 0.0, 174.607330322266, 0.0, 0.0, 25.5360412597656, 0.0, 164.597854614258, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 171.307083129883, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 29.0300006866455, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.5, 2.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.165931820869446, 0.0, 0.0, 0.0, 0.0, -0.0996491611003876, 0.0, 0.0, 0.0, 1.0, 0.0
-InChI%3D1S%2FC9H8Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-2%2C5-6H%2C3-4H2, 0.0, 3.06982517242432 3.06982517242432, 2.06961703300476, 0.0984530672430992, 2.0, 0.0, 3.0, 5.29395484924316 5.29395484924316, 1.42892241477966, -0.0228299684822559, 0.0, 0.0, 8.15641498565674 8.15641498565674, -0.199142158031464, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 86.0, 183.0, 2.3341372013092 2.3341372013092, 0.0, 0.25, 0.0, 0.0, 3.6075336933136 3.6075336933136, 0.0, 0.0, 1.0, 12.4567470550537, 0.0, 0.0, 4.68471479415894 4.68471479415894, 0.0, 4.34911251068115, 0.0641500279307365, 0.0, 0.0, 0.0, 2.48828125, 0.347716152667999, 0.0372678004205227, 0.0, 0.0, 0.615596115589142, 11.1137495040894, 0.184332758188248, 6.59340715408325, 0.278502225875854, , 4.24264049530029, 3.56898164749146, 0.0, 7.77732419967651, 0.0, 1.15470051765442, 0.0, 0.892755091190338, 0.0, 0.0, 4.03246784210205, 0.0, 0.149249538779259, 0.0, 3.24216198921204, 0.0, 0.0, 0.0, 2.48183035850525, 0.0, 0.0, 0.0, 0.0, 1.46552443504333, 0.0, 62.6800003051758, 0.0, 0.995282053947449, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 47.1749382019043, 2.0, 0.0, 27.6350154876709, 0.0, 0.0, 405.0, 0.0, 1417.59130859375, 2.0, 0.0, 75.3890151977539, 0.0, 1673.32006835938, 1.0, 0.0, 42.1041107177734, 0.0, 0.0, 0.0, 0.0, 0.0, 2364.078125, 39.1493873596191, 5.0, 24.0, 2060.90991210938, 0.0, 385.070007324219, 0.0, 1696.76635742188, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 2.0, 0.0, 11.9222850799561, 0.0, 0.0, 0.428571432828903, 7.39966535568237, 2.0, 0.0, 0.0, 2.35380864143372, 0.0, 7.7590389251709, 2.0, 0.353553384542465, 3.96540641784668, 0.0, 5.42431783676147, 0.36982524394989, 6.87156677246094, 0.0, 0.0, 4.68657207489014, 0.0, 0.0, 0.43500217795372, 0.0, 0.730296730995178, 0.0, 2.0, -0.228622242808342, 1.0, 3.92355966567993, 0.0, 0.0, 0.0
-InChI%3D1S%2FC16H14O6%2Fc17-10-2-1-8-13-9-4-12%2819%2911%2818%293-7%289%295-16%2813%2C21%296-22-15%288%2914%2810%2920%2Fh1-4%2C13%2C17-21H%2C5-6H2%2Ft13-%2C16%3F%2Fm0%2Fs1, 0.0, 5.791907787323 5.791907787323, 5.46465110778809, -0.302623003721237, 2.0, 1.0, 0.0, 9.40066242218018 9.40066242218018, 4.23166036605835, 0.20522466301918, 0.0, 0.0, 14.7481441497803 14.7481441497803, 0.117214612662792, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 130.0, 364.0, 2.13801145553589 2.13801145553589, 0.0, 1.60495579242706, 0.0, 0.0, 3.3087306022644 3.3087306022644, 0.0, 1.12116694450378, 0.0, 15.5232000350952, 0.0, 0.0, 4.35941314697266 4.35941314697266, 0.0, 5.25, 0.0680413842201233, 0.0, 0.0, 0.0, 2.25921511650085, 0.410886287689209, 0.0510310381650925, 5.0, 0.0, 1.04570031166077, 11.4452810287476, 0.20584724843502, 6.85290288925171, 0.373236387968063, , 12.7888317108154, 1.08019459247589, 0.0, 5.89342260360718, 0.0, 3.33070135116577, 0.0, 0.0645497217774391, 0.0, 0.0, 4.49941635131836, 0.0, 0.216936945915222, 0.0, 3.52325654029846, 0.0, 0.0161374304443598, 0.0, 2.6401481628418, 0.0, 0.0, 0.0, 0.0, 1.69437479972839, 0.0, 110.379997253418, 0.0, 1.11082172393799, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.6468143463135, 5.0, 0.0, 27.3246440887451, 0.0, 0.0, 912.0, 0.0, 1566.45446777344, 0.0, 0.0, 44.6492881774902, 0.0, 1968.73278808594, 1.0, 0.0, 52.0792541503906, 0.0, 0.0, 0.0, 0.0, 0.0, 3110.509765625, 42.7558479309082, 5.45943164825439, 44.0, 3216.9697265625, 0.0, 1059.06005859375, 0.0, 2634.70703125, 8.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.0, 0.0, 15.645899772644, 0.0, 0.0, 0.5, 10.4045028686523, 0.0, 0.0, 0.0, 2.37328267097473, 0.0, 10.5139799118042, 1.0, 0.144337564706802, 4.299147605896, 0.0, 9.47815322875977, 0.767676472663879, 18.8937854766846, 0.0, 0.0, 7.93161392211914, 4.0, 0.0, 0.594619393348694, 0.0481125228106976, 2.7494592666626, 0.0, 0.0, -0.147505849599838, 0.0, 6.97484397888184, 0.0, 0.0, 0.0
-InChI%3D1S%2FC14H8O4%2Fc15-9-5-1-3-7-11%289%2914%2818%2912-8%2813%287%2917%294-2-6-10%2812%2916%2Fh1-6%2C15-16H, 0.0, 3.76783084869385 3.76783084869385, 3.45582246780396, -0.00810740794986486, 0.0, 0.0, 0.0, 7.07157707214355 7.07157707214355, 2.42318892478943, -0.160640373826027, 0.0, 0.0, 11.0662279129028 11.0662279129028, -0.126962810754776, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 100.0, 224.0, 1.15068924427032 1.15068924427032, 0.0, 1.25397157669067, 0.0, 0.0, 1.68299055099487 1.68299055099487, 0.0, 0.0, 0.0, 13.0050001144409, 0.0, 0.0, 2.10549235343933 2.10549235343933, 0.0, 4.83555555343628, 0.0, 0.0, 0.0, 0.0, 1.98347103595734, 0.17311979830265, 0.0, 2.0, 0.0, 0.462436646223068, 9.17502498626709, 0.0637375190854073, 5.34349584579468, 0.116054050624371, , 14.3172817230225, 0.500499069690704, 0.0, 4.05764627456665, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.02830338478088, 0.0, 0.123337551951408, 0.0, 2.20604062080383, 0.0, 0.0, 0.0, 1.50037264823914, 0.0, 0.0, 0.0, 0.0, 0.82978481054306, 0.0, 74.5999984741211, 0.0, 0.478003054857254, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.0978755950928, 4.0, 0.0, 21.3283672332764, 0.0, 0.0, 512.0, 0.0, 1189.06872558594, 2.0, 0.0, 32.6567344665527, 0.0, 1456.04833984375, 0.0, 0.0, 39.6492881774902, 0.0, 0.0, 0.0, 0.0, 0.0, 2170.16137695312, 38.8624114990234, 5.16992521286011, 35.0, 2336.44018554688, 0.0, 478.040008544922, 0.0, 1853.97216796875, 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 8.0, 0.0, 12.861442565918, 0.0, 0.0, 0.428571432828903, 8.6090612411499, 0.0, 0.0, 0.0, 1.35069239139557, 0.0, 8.01701831817627, 0.0, 0.0, 4.81319952011108, 0.0, 7.26169109344482, 0.533291578292847, 16.0331611633301, 0.0, 0.0, 6.58201360702515, 6.0, 0.0, 0.405022740364075, 0.0, 0.0, 0.0, 2.0, -0.0563324466347694, 0.0, 5.23861265182495, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3, 0.0, 0.0 0.0, 0.0, -0.0193052291870117, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 12.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 1.0, 0.0, 0.0, 3.94721364974976, 0.0, 1.72360682487488, 0.0, , 0.0, 1.17082035541534, 0.0, 2.17082047462463, 0.0, 0.0, 0.0, 0.223606795072556, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.2299995422363, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.77446889877319, 1.0, 0.0, 4.33209180831909, 0.0, 0.0, 16.0, 1.5, 154.24462890625, 0.0, 0.0, 6.99627590179443, 0.0, 141.682571411133, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 159.966644287109, 0.0, 3.32192802429199, 0.0, 0.0, 0.0, 176.009994506836, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 0.5, 2.0, 0.0, 0.0, 0.0, 2.0, 0.0, 3.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0706992447376251, 0.0, 0.0, 0.0, 0.0, -0.0160443913191557, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC17H15NO2%2Fc1-11%2819%2918%2812%282%2920%2917-9-5-8-15-14-7-4-3-6-13%2814%2910-16%2815%2917%2Fh3-9H%2C10H2%2C1-2H3, 0.0, 3.550696849823 3.550696849823, 3.65280485153198, 0.0877251252532005, 1.0, 0.0, 0.0, 6.73499441146851 6.73499441146851, 2.8314642906189, -0.0950431376695633, 0.0, 0.0, 8.92454242706299 8.92454242706299, 0.0245701838284731, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 108.0, 276.0, 1.44852340221405 1.44852340221405, 0.0, 0.25, 0.0, 0.0, 2.28156542778015 2.28156542778015, 0.0, 0.0, 0.0, 14.9173555374146, 0.0, 0.0, 2.64270901679993 2.64270901679993, 0.0, 6.01171875, 0.0785674229264259, 0.0, 0.0, 0.0, 2.72000002861023, 0.363402307033539, 0.0441941730678082, 0.0, 0.0, 0.623909473419189, 11.5122690200806, 0.150477677583694, 6.60754251480103, 0.222629010677338, , 8.72006130218506, 0.637813568115234, 0.0, 5.01062250137329, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.69674801826477, 0.0, 0.160414382815361, 0.0, 2.91090154647827, 2.0, 0.0, 0.0, 1.92537701129913, 0.0, 0.0, 0.0, 0.0, 1.1491014957428, 0.0, 37.3800010681152, 0.0, 0.746712982654572, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 21.9089260101318, 4.0, 0.0, 23.1627388000488, 0.0, 0.0, 733.0, 0.25, 1443.34301757812, 2.0, 0.0, 34.4358558654785, 2.62908172607422, 1746.09008789062, 0.0, 0.0, 35.8269233703613, 0.0, 0.0, 0.0, 0.0, 3.995924949646, 2573.46508789062, 37.2655754089355, 5.32192802429199, 34.0, 2599.70703125, 0.0, 989.030029296875, 0.0, 2291.22631835938, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.0, 0.0, 14.2756567001343, 0.0, 0.0, 0.5, 9.59222412109375, 0.0, 0.0, 0.0, 1.48877549171448, 0.0, 8.93194484710693, 0.0, 0.0, 9.68753623962402, 0.0, 7.3015193939209, 0.502291202545166, 18.7352771759033, 0.0, 0.0, 6.89478397369385, 7.0, 0.0, 0.304689228534698, 0.0, 0.0, 0.0, 2.0, -0.168026342988014, 1.0, 5.19998979568481, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H15N3O2%2Fc1-2-3-4-5-6-10%289-12%297%288%2911%2Fh2-6H2%2C1H3%2C%28H2%2C8%2C11%29, , 1.08925569057465 1.08925569057465, 0.501885175704956, 0.0917155593633652, 5.0, 0.0, 0.0, 1.17258894443512 1.17258894443512, 0.321114271879196, -0.0830141082406044, , 0.0, 0.71129447221756 0.71129447221756, 0.0257975775748491, , 0.0, 1.0, 0.0, 0.0, 0.0, 46.0, 139.0, 0.203561648726463 0.203561648726463, 0.0, 0.25, 0.0, 0.0, 0.164600849151611 0.164600849151611, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 0.10823579877615 0.10823579877615, 0.0, 7.63888883590698, 0.0, 0.0, 0.0, 0.0, 6.25, 0.0, 0.0, 1.0, 0.0, 0.0, 7.28542280197144, 0.0, 4.10312223434448, 0.0, , 0.0, 0.120710678398609, 0.0, 2.58905863761902, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.56651949882507, 0.0, 0.0158113874495029, , 0.873744070529938, 1.0, 0.0, 0.0, 0.465486645698547, 0.0, , , 0.0, 0.227304011583328, 0.0, 76.75, 0.0, 0.126759469509125, , 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 14.6289024353027, 0.0, 0.0, 12.744101524353, 0.0, , 241.0, 0.0, 469.340362548828, 1.0, 0.0, 14.5189418792725, 1.91925978660583, 469.53076171875, 0.0, 0.0, 14.4082860946655, 0.0, 0.0, 0.0, , 0.142857149243355, 492.973571777344, 12.4906749725342, 4.58496236801147, 12.0, 452.365234375, 0.0, 544.049987792969, 0.0, 355.061614990234, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 4.0, 0.0, 9.39734077453613, , , 0.5, 5.71874380111694, 0.0, 0.0, 0.0, 0.5, 1.0, 4.26168012619019, 0.0, 0.0, 5.67623996734619, 0.0, 2.89565467834473, 0.16666667163372, 1.34123075008392, 0.0, 0.0, 1.84216499328613, 0.0, 0.0, 0.157817542552948, 0.0, 0.0, 0.0, 1.0, -0.112798593938351, 1.0, 0.84427398443222, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H14N2O%2Fc1-3-5-7-8%289%296-4-2%2Fh3-6H2%2C1-2H3, 0.0, , , -0.0462489277124405, 4.0, 0.0, 0.0, , , -0.00898553244769573, 0.0, 0.0, , 0.00428243679925799, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 32.0, 83.0, , 0.0, 0.0, 0.0, , , , 0.0, 0.0, 9.0, , 0.0, , 0.0, 6.125, , 0.0, 0.0, , 5.87755107879639, , , 0.0, 0.0, , , , , , , 0.0, , 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, , 0.0, , 2.0, , 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 41.1100006103516, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.4944448471069, 0.0, 0.0, 9.24582481384277, 0.0, 0.0, 108.0, 0.142857149243355, , 0.0, 0.0, 9.5502986907959, 2.87443280220032, , 0.0, 0.0, 8.32892513275146, 0.0, 0.0, 0.0, 0.0, 0.0, , 6.99655437469482, 4.16992521286011, 7.0, , 0.0, 412.029998779297, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, , 0.0, 0.0, 0.428571432828903, , 0.0, 0.0, 0.0, , 1.0, , 0.0, , 2.40685200691223, 0.0, , , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.1080526933074, , 0.0, 0.0, 1.0, -0.00448999693617225, 0.0, , 0.0, 0.0, 0.0
-InChI%3D1S%2FC17H22N2%2Fc1-18%282%2916-9-5-14%286-10-16%2913-15-7-11-17%2812-8-15%2919%283%294%2Fh5-12H%2C13H2%2C1-4H3, 0.0, 2.89393281936646 2.89393281936646, 2.48700189590454, 0.0202112141996622, 1.0, 0.0, 0.0, 3.25243210792542 3.25243210792542, 1.60180592536926, 0.0100406864657998, 0.0, 0.0, 3.60032296180725 3.60032296180725, 0.000955524446908385, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 94.0, 364.0, 1.37668943405151 1.37668943405151, 0.0, 0.0, 0.0, 0.0, 1.26497995853424 1.26497995853424, 0.0, 0.0, 0.0, 15.3900003433228, 0.0, 0.0, 1.19495368003845 1.19495368003845, 0.100000001490116, 7.13580226898193, 0.0, 0.0, 0.0, 0.0, 4.5, 0.16666667163372, 0.0, 0.0, 0.0, 0.214076176285744, 12.2203359603882, 0.0555555559694767, 6.58590936660767, 0.0641289129853249, , 1.53261888027191, 0.831987082958221, 0.0, 5.29852533340454, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.31372451782227, 0.0, 0.149071201682091, 0.0, 2.0595850944519, 4.0, 0.0, 0.0, 1.34905076026917, 0.0, 0.0, 0.0, 0.0, 0.846605122089386, 0.0, 6.48000001907349, 0.0, 0.462066680192947, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.7199764251709, 2.0, 0.0, 20.9971122741699, 0.0, 0.0, 816.0, 0.908560276031494, 1239.6875, 0.0, 0.0, 27.6647415161133, 6.56572437286377, 1389.14331054688, 0.0, 0.0, 26.6647415161133, 0.0, 0.0, 0.0, 0.0, 3.11060929298401, 1820.95654296875, 20.3323707580566, 5.24792766571045, 26.0, 1712.71203613281, 0.0, 1422.02001953125, 0.0, 1298.74731445312, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.0, 0.0, 13.8280630111694, 0.0, 0.0, 0.5, 9.05855083465576, 0.0, 0.0, 0.0, 1.40824830532074, 0.0, 8.28534698486328, 0.0, 0.0, 11.8767204284668, 0.0, 6.33510780334473, 0.333333343267441, 14.3116302490234, 0.0, 0.0, 4.65260648727417, 8.0, 0.0, 0.187342584133148, 0.0, 0.0, 0.0, 0.0, -0.124896734952927, 2.0, 3.58629703521729, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918, 0.0, 19.625 19.625, 9.125, -0.126361042261124, 0.0, 0.0, 12.0, 42.875 42.875, 6.140625, -0.694082379341125, 0.0, 0.0, 86.328125 86.328125, 0.196705862879753, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 172.0, 232.0, 23.7589130401611 23.7589130401611, 0.0, 0.0, 0.0, 0.0, 53.3493461608887 53.3493461608887, 0.0, 0.0, 0.0, 14.3520708084106, 0.125, 0.0, 110.983833312988 110.983833312988, 0.0, 2.33333325386047, 0.875, 0.0, 0.0, 0.125, 0.478709995746613, 3.5625, 0.941946685314178, 0.0, 0.0, 11.3125, 18.6067218780518, 4.06130933761597, 10.3033609390259, 13.5892601013184, , 0.0, 5.75434112548828, 0.0, 13.6068620681763, 0.0, 0.0, 0.0, 0.888375282287598, 0.0, 0.0, 17.2899150848389, 0.0, 8.13638210296631, 0.0, 15.9015398025513, 0.0, 3.53702473640442, 0.0, 13.7587175369263, 0.0, 0.0, 0.0, 0.0, 10.7297611236572, 0.0, 0.0, 0.0, 7.26495933532715, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 114.553039550781, 8.0, 0.0, 49.4208488464355, 0.0, 0.0, 680.0, 0.0, 4164.9453125, 0.0, 0.0, 133.881103515625, 0.0, 6187.4697265625, 10.0, 0.0, 318.319915771484, 0.0, 0.0, 0.0, 0.0, 0.0, 12246.8056640625, 321.417358398438, 5.45943164825439, 78.0, 13292.548828125, 0.0, 214.119995117188, 0.0, 6848.66748046875, 0.0, 0.0, 0.0, 0.0, 0.0, 25.576530456543, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 17.0, 0.0, 0.0, 0.333333343267441, 9.5, 0.0, 0.0, 0.0, 5.0, 0.0, 12.25, 0.0, 0.75, 0.0, 0.0, 15.0, 6.40625, 0.0, 0.0, 0.0, 13.75, 0.0, 0.0, 0.602841317653656, 2.6875, 0.0, 0.0, 0.0, 0.102716021239758, 0.0, 11.8125, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H8N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-2H%2C3-5H2, , 0.492799282073975 0.492799282073975, 0.348461717367172, 0.0262137614190578, 3.0, 0.0, , 0.594861328601837 0.594861328601837, 0.144337564706802, -0.0205103885382414, , 0.0, 0.492799282073975 0.492799282073975, -0.00529392994940281, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 60.0, 0.169270530343056 0.169270530343056, , 0.0, , 0.0, 0.167420729994774 0.167420729994774, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.124555848538876 0.124555848538876, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 4.57869625091553, 0.0527046285569668, 2.66485953330994, 0.0235702265053988, , 0.0, 0.100000001490116, 0.0, 1.75435984134674, 0.0, 0.0, , 0.0, , 0.0, 1.15217506885529, 0.0, 0.0, , 0.703065752983093, 0.0, 0.0, 0.0, 0.425709664821625, , , , 0.0, 0.0743570029735565, , 32.6699981689453, 0.0, 0.0192450098693371, , 0.0, 0.0, 0.0, , 0.0, 9.49444484710693, 0.0, , 9.24582481384277, 0.0, , 64.0, 0.0, 319.698303222656, 0.0, 0.0, 10.218207359314, 0.0, 336.064819335938, 0.0, 0.0, 8.16273975372314, 0.0, 0.0, 0.0, , 0.0, 376.606994628906, 3.83036923408508, 4.0, 7.0, 254.740447998047, 0.0, 200.029998779297, 0.0, 77.1227722167969, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 2.0, 0.0, 1.0, 1.0, 0.0, 5.81999111175537, , , 0.400000005960464, 3.9318516254425, 2.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.91228413581848, 0.0, 0.0, 6.08364343643188, , 2.30209517478943, 0.0, 0.0, 0.0, , 1.59538793563843, 0.0, 0.0, 0.0660639554262161, 0.0, 0.0, 0.0, 1.0, -0.0370451211929321, 1.0, 1.10517168045044, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H17F3N6O%2Fc12-11%2813%2C14%297-17-10%2816%2918-9-4-6-20%2819-9%295-2-1-3-8%2815%2921%2Fh4%2C6H%2C1-3%2C5%2C7H2%2C%28H2%2C15%2C21%29%28H3%2C16%2C17%2C18%2C19%29, 0.0, 2.19603204727173 2.19603204727173, 1.67722547054291, 0.0281930826604366, 7.0, 0.0, 0.0, 2.64943552017212 2.64943552017212, 1.36354494094849, 0.115501619875431, 0.0, 0.0, 3.03774213790894 3.03774213790894, -0.260361552238464, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 98.0, 444.0, 0.543943524360657 0.543943524360657, 0.0, 0.0, 0.0, 0.0, 0.640296638011932 0.640296638011932, 0.0, 0.0, 0.0, 19.0476188659668, 0.0, 0.0, 0.551119387149811 0.551119387149811, 0.0, 9.20918369293213, 0.117851130664349, 0.0, 0.0, 0.0, 9.58579921722412, 0.16666667163372, 0.0559016987681389, 1.0, 0.0, 0.165963649749756, 11.4252815246582, 0.0645284727215767, 6.50804281234741, 0.0581285208463669, , 0.598408460617065, 0.504339337348938, 0.0, 4.6284875869751, 0.0, 0.531329274177551, 0.0, 0.0190900880843401, 0.0, 0.0, 2.70034766197205, 0.0, 0.0, 0.0, 1.7373263835907, 0.0, 0.0, 0.0, 1.01635885238647, 0.0, 0.0, 0.0, 0.0, 0.560745537281036, 0.0, 107.589996337891, 0.0909090936183929, 0.362473607063293, 0.0, 1.27060055732727, 0.0, 0.0, 0.0, 0.365148365497589, 28.4405288696289, 0.0, 0.0, 24.9331035614014, 0.0, 0.0, 1197.0, 0.0, 964.361877441406, 3.0, 0.0, 38.0726661682129, 0.0, 1051.25830078125, 1.0, 0.0, 25.7217102050781, 0.0, 0.0, 0.0, 0.0, 0.0, 1306.33959960938, 25.2930908203125, 5.39231729507446, 21.0, 1065.79455566406, 0.0, 1180.09997558594, 0.0, 1032.16345214844, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 2.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 1.19055080413818, 0.0, 0.0, 1.21644043922424, 4.0, 0.0, 15.8804693222046, 0.0, 0.0, 0.5, 9.75983905792236, 0.0, 2.0, 0.0, 2.66583180427551, 1.0, 9.66361618041992, 0.0, 0.353553384542465, 6.35985279083252, 0.0, 5.41651582717896, 0.0, 5.5662636756897, 0.0, 0.0, 4.00667381286621, 0.0, 0.0, 0.617892742156982, 0.0, 1.138267993927, 0.0, 0.0, -0.349193751811981, 1.0, 2.9625608921051, 0.0, 3.0, 0.0
-InChI%3D1S%2FC6H12N2O%2Fc1-6-4-2-3-5-8%286%297-9%2Fh6H%2C2-5H2%2C1H3%2Ft6-%2Fm1%2Fs1, , 1.06903564929962 1.06903564929962, 0.469913214445114, 0.0252738296985626, 4.0, 0.0, , 1.40829122066498 1.40829122066498, 0.176776692271233, -0.0169413592666388, , , 1.30473780632019 1.30473780632019, -0.00701768137514591, , 0.0, 0.666666686534882, , , , 40.0, 67.0, 0.570301592350006 0.570301592350006, , 0.0, , 0.0, 0.625612914562225 0.625612914562225, 0.0, 0.0, , 7.11111116409302, 0.0, , 0.617442071437836 0.617442071437836, 0.0, 3.23966932296753, 0.0, 0.0, , 0.0, 1.70414197444916, 0.0833333358168602, 0.0, 0.0, 0.0, 0.142258897423744, 5.7084527015686, 0.0645497217774391, 3.44259929656982, 0.0934172347187996, , 0.0, 0.264223843812943, 0.0, 2.58952522277832, 0.0, 0.0, , 0.0, , 0.0, 1.87278091907501, 0.0, 0.0577350258827209, , 1.20425724983215, 1.0, 0.0, , 0.766185581684113, , , , 0.0, 0.223913550376892, , 32.6699981689453, 0.0, 0.0524377413094044, , 0.0, 0.0, 0.0, , 0.0, 10.4944448471069, 0.0, , 10.2458248138428, 0.0, , 86.0, 0.0, 398.915283203125, 0.0, 0.0, 12.3843927383423, 1.3731781244278, 430.057098388672, 0.0, 0.0, 11.3289251327515, 0.0, 0.0, , , 1.0, 518.270385742188, 6.16246128082275, 4.16992521286011, 10.0, 402.396820068359, , 369.029998779297, 0.0, 145.331512451172, 0.0, , , 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 4.0, , 6.69023466110229, , , 0.400000005960464, 4.3425350189209, 0.0, 0.0, 0.0, 0.402368932962418, 1.0, 3.43006896972656, 1.0, 0.0, 3.96540641784668, , 2.81349611282349, 0.117851130664349, 2.14913988113403, 0.0, , 1.99955224990845, 0.0, 0.0, 0.0560911558568478, 0.0, 0.0, 0.0, 1.0, -0.0289624854922295, 1.0, 1.20977282524109, , , 0.0
-InChI%3D1S%2FC8H12N2O3.Na%2Fc1-3-8%284-2%295%2811%299-7%2813%2910-6%288%2912%3B%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 3.49267768859863 3.49267768859863, 1.22610127925873, 0.316851019859314, 2.0, 0.0, 0.0, 5.97511339187622 5.97511339187622, 0.272165536880493, -0.430734932422638, 0.0, 0.0, 5.40539932250977 5.40539932250977, 0.205825224518776, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 64.0, 230196192.0, 1.24318814277649 1.24318814277649, 0.0, 0.75, 0.0, 0.0, 1.42798316478729 1.42798316478729, 0.0, 0.0, 0.0, 14.0, 0.0, 0.0, 0.670113444328308 0.670113444328308, 0.0, 5.18559551239014, 0.0, 1.0, 0.0, 0.0, 2.34319519996643, 0.0481125228106976, 0.0, 1.0, 0.0, 0.212378948926926, 7.16410255432129, 0.0125000001862645, 3.94347858428955, 0.0283709429204464, , 1.5, 0.517601549625397, 0.0, 2.73080468177795, 0.0, 2.0800838470459, 0.0, 0.0625, 0.0, 0.0, 2.20224404335022, 0.0, 0.0603553391993046, 0.0, 1.15177392959595, 2.0, 0.0125000001862645, 0.0, 0.414876401424408, 0.0, 0.0, 0.0, 0.0, 0.197105392813683, 0.0, 85.0800018310547, 0.0, 0.043261032551527, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.7071685791016, 0.0, 0.0, 14.6610174179077, 0.0, 0.0, 13000000512.0, 0.25, 676.994506835938, 3.0, 0.0, 22.570405960083, 2.30940103530884, 777.989501953125, 1.0, 0.0, 27.3180313110352, 0.0, 0.0, 0.0, 0.0, 1.68686532974243, 1097.64660644531, 22.7555408477783, 4.80735492706299, 23.0, 1126.64318847656, 0.0, 394.059997558594, 1.0, 635.219299316406, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 2.0, 0.0, 10.0604782104492, 0.0, 0.0, 0.999000012874603, 6.06371450424194, 0.0, 0.0, 0.0, 1.22130084037781, 2.0, 5.31894159317017, 0.0, 0.0833333358168602, 0.5, 0.0, 4.79122352600098, 0.537457466125488, 2.38110160827637, 0.0, 0.0, 3.9022970199585, 0.0, 0.0, 0.482499718666077, 0.117851130664349, 2.0, 0.0, 1.0, -0.325132608413696, 0.0, 1.65565967559814, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H8N2O%2Fc1-3-5%282%294-6%2Fh3H2%2C1-2H3, , 0.577350258827209 0.577350258827209, 0.0, 0.0336116552352905, 1.0, 0.0, 0.0, 0.288675129413605 0.288675129413605, 0.0, -0.0252580642700195, , 0.0, 0.0 0.0, -0.00276192044839263, , 0.0, 1.0, 0.0, 0.0, 0.0, 20.0, 29.0, 0.199156388640404 0.199156388640404, 0.0, 0.0, 0.0, 0.0, 0.0577350258827209 0.0577350258827209, 0.0, 0.0, 0.0, 6.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.20000004768372, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.00978231430054, 0.0, 1.85312235355377, 0.0, , 0.0, 0.141421362757683, 0.0, 1.05552649497986, 0.0, 0.0, , 0.0, , 0.0, 0.597033798694611, 0.0, 0.0, , 0.0577350258827209, 2.0, 0.0, 0.0, 0.0, , , , 0.0, 0.0, , 32.6699981689453, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 7.49444532394409, 0.0, , 6.24582433700562, 0.0, , 31.0, 0.333333343267441, 155.774703979492, 0.0, 0.0, 6.05202198028564, 1.41421353816986, 141.738693237305, 0.0, 0.0, 4.8303689956665, 0.0, 0.0, 0.0, , 0.0, 131.109191894531, 1.33209192752838, 3.58496260643005, 4.0, 81.178466796875, 0.0, 139.029998779297, 0.0, 14.9287261962891, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 4.99156379699707, , , 0.5, 2.80806040763855, 0.0, 0.0, 0.0, 0.288675129413605, 1.0, 1.92166829109192, 0.0, 0.0, 0.0, , 1.39384686946869, 0.0, 0.0, 0.0, 0.0, 0.288675129413605, 0.0, 0.0, 0.061939962208271, 0.0, 0.0, 0.0, 1.0, -0.0365616530179977, 1.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC27H50O6%2Fc1-4-7-10-13-16-19-25%2828%2931-22-24%2833-27%2830%2921-18-15-12-9-6-3%2923-32-26%2829%2920-17-14-11-8-5-2%2Fh24H%2C4-23H2%2C1-3H3, 0.0, 1.59381365776062 1.59381365776062, 2.70396375656128, 0.0470855385065079, 20.0, 3.0, 0.0, 1.94752335548401 1.94752335548401, 1.92675793170929, 0.157544001936913, 0.0, 0.0, 2.35234761238098 2.35234761238098, -0.254329353570938, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 134.0, 940.0, 0.39750462770462 0.39750462770462, 0.0, 0.409913837909698, 0.0, 0.0, 0.44918504357338 0.44918504357338, 0.0, 2.3459746837616, 0.0, 33.0, 0.0, 0.0, 0.460019141435623 0.460019141435623, 0.0, 25.1036739349365, 0.0, 0.0, 0.0, 0.0, 23.5102043151855, 0.0, 0.0, 0.0, 0.0, 0.0, 21.6689758300781, 0.0, 13.5362749099731, 0.0, , 1.60789358615875, 0.294627815485001, 0.0, 8.970534324646, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.61190223693848, 0.0, 0.0, 0.0, 3.49576735496521, 3.0, 0.0, 0.0, 2.15243649482727, 0.0, 0.0, 0.0, 0.0, 1.26703691482544, 0.0, 78.9000015258789, 0.0, 0.712800562381744, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 37.6468124389648, 0.0, 0.0, 34.988826751709, 0.908560276031494, 0.0, 4270.0, 0.155218034982681, 1573.60046386719, 3.0, 0.0, 40.6443252563477, 6.56653165817261, 1601.96435546875, 0.0, 0.0, 40.2019500732422, 0.0, 0.0, 0.0, 0.0, 1.19216275215149, 1722.99694824219, 41.423755645752, 6.04439401626587, 35.0, 1733.95104980469, 0.0, 5668.06005859375, 0.0, 1771.13940429688, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.0, 0.0, 24.5728569030762, 0.0, 0.0, 0.5, 16.0276050567627, 0.0, 0.0, 0.0, 1.07014954090118, 0.0, 12.180609703064, 1.0, 0.0, 0.0, 0.0, 8.27256107330322, 0.0, 14.6694717407227, 0.0, 0.0, 5.68509960174561, 0.0, 0.0, 0.829734861850739, 0.0, 0.0, 0.0, 3.0, -0.474552631378174, 0.0, 4.08136224746704, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC9H11ClN2O%2Fc1-12%282%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29, 0.0, 1.99129748344421 1.99129748344421, 1.00364136695862, 0.208984345197678, 0.0, 0.0, 1.0, 1.60202610492706 1.60202610492706, 0.59160703420639, -0.110226586461067, 0.0, 0.0, 2.31512570381165 2.31512570381165, -0.0174932423979044, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 60.0, 157.0, 0.673308968544006 0.673308968544006, 0.0, 0.0, 0.0, 0.0, 0.459647655487061 0.459647655487061, 0.0, 0.0, 0.0, 11.0769233703613, 0.0, 0.0, 0.55603301525116 0.55603301525116, 0.0, 5.02422142028809, 0.0, 0.0, 0.0, 0.0, 3.70370364189148, 0.0833333358168602, 0.0, 0.0, 0.0, 0.142258897423744, 8.29875659942627, 0.0277777779847383, 4.21047210693359, 0.0453859269618988, , 0.965489387512207, 0.541565895080566, 0.0, 3.26790857315063, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.75364923477173, 0.0, 0.0456435456871986, 0.0, 0.89448881149292, 2.0, 0.0, 0.0, 0.660433828830719, 0.0, 0.0, 0.0, 0.0, 0.272253513336182, 0.0, 32.3400001525879, 0.0, 0.112152680754662, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.2071990966797, 0.0, 0.0, 16.1147556304932, 0.0, 0.0, 268.0, 0.5, 706.278747558594, 1.0, 0.0, 22.7027645111084, 1.46059346199036, 765.173095703125, 0.0, 0.0, 20.730676651001, 0.0, 0.0, 0.0, 0.0, 1.56827390193939, 946.469360351562, 13.1144771575928, 4.70043992996216, 15.0, 801.541137695312, 0.0, 420.040008544922, 0.0, 540.240295410156, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 6.0, 0.0, 9.84493541717529, 0.0, 0.0, 0.5, 6.09222412109375, 0.0, 1.0, 0.0, 1.0618349313736, 0.0, 5.5829005241394, 0.0, 0.0, 3.30192732810974, 0.0, 3.97861790657043, 0.235702261328697, 6.29469060897827, 0.0, 0.0, 2.36276650428772, 4.0, 0.0, 0.284462541341782, 0.0, 0.0, 0.0, 1.0, -0.240545764565468, 1.0, 2.03083920478821, 0.0, 0.0, 0.0
-InChI%3D1S%2FC16H16N2O4S%2Fc1-11%2819%2917-13-3-7-15%288-4-13%2923%2821%2C22%2916-9-5-14%286-10-16%2918-12%282%2920%2Fh3-10H%2C1-2H3%2C%28H%2C17%2C19%29%28H%2C18%2C20%29, 0.0, 4.1960277557373 4.1960277557373, 2.929039478302, 0.0279127079993486, 0.0, 0.0, 0.0, 6.05889081954956 6.05889081954956, 2.15078997612, -0.00210864096879959, 0.0, 0.0, 7.19888210296631 7.19888210296631, -0.0493556968867779, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 116.0, 492.0, 1.63656973838806 1.63656973838806, 0.0, 0.86079204082489, 1.0, 0.0, 1.96641826629639 1.96641826629639, 0.0, 0.0, 0.0, 19.3263893127441, 0.0, 0.0, 2.05671525001526 2.05671525001526, 0.0, 8.39273357391357, 0.0, 0.0, 0.0, 0.0, 5.5, 0.16666667163372, 0.0, 2.0, 0.0, 0.201184466481209, 13.0912628173828, 0.0555555559694767, 7.55947732925415, 0.0730179771780968, , 3.07406187057495, 0.959624290466309, 0.0, 5.90497207641602, 0.0, 0.0, 0.0, 0.0361295826733112, 0.0, 0.0, 3.87930035591125, 0.0, 0.166171491146088, 0.0, 2.61803865432739, 2.0, 0.0240863878279924, 0.0, 1.72007620334625, 0.0, 0.0, 0.0, 0.0, 1.01465225219727, 0.0, 107.699996948242, 0.0, 0.659902155399323, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.9456062316895, 0.0, 0.0, 33.7812957763672, 0.0, 0.0, 1336.0, 0.0714285746216774, 1667.73034667969, 2.0, 0.0, 45.5502052307129, 2.45641565322876, 1921.26965332031, 0.0, 0.0, 44.6648025512695, 0.0, 0.0, 0.0, 0.0, 2.29208898544312, 2679.2119140625, 39.6570434570312, 5.52356195449829, 34.0, 2684.82641601562, 0.0, 1094.06994628906, 0.0, 2304.10888671875, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.100000001490116, 0.0, 0.0, 0.0, 12.0, 0.0, 17.0351696014404, 0.0, 0.0, 0.5, 10.7857303619385, 0.0, 0.0, 0.0, 2.42410349845886, 2.0, 10.5157642364502, 0.0, 0.16666667163372, 8.69190216064453, 0.0, 7.40738010406494, 0.622008442878723, 14.4929752349854, 0.0, 0.0, 5.95100212097168, 8.0, 0.0, 0.450815588235855, 0.16666667163372, 0.0, 0.0, 2.0, -0.199079215526581, 0.0, 4.35023355484009, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC4H10N2O3%2Fc7-3-1-6%285-9%292-4-8%2Fh7-8H%2C1-4H2, , 0.492799282073975 0.492799282073975, 0.144337564706802, -0.0701884999871254, 4.0, 0.0, 0.0, 0.679412364959717 0.679412364959717, 0.0, 0.0912355184555054, , 0.0, 0.492799282073975 0.492799282073975, -0.0843341127038002, , 0.0, 1.0, 0.0, 0.0, 0.0, 32.0, 70.0, 0.182246178388596 0.182246178388596, 0.0, 0.56462162733078, 0.0, 0.0, 0.1709805727005 0.1709805727005, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0705412477254868 0.0705412477254868, 0.0, 6.125, 0.0, 0.0, 0.0, 0.0, 4.5, 0.0, 0.0, 2.0, 0.0, 0.0, 5.0255298614502, 0.0, 2.64748525619507, 0.0, , 0.0, 0.100000001490116, 0.0, 1.48252630233765, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.831697821617126, 0.0, 0.0, , 0.424317121505737, 0.0, 0.0, 0.0, 0.136514842510223, 0.0, , , 0.0, 0.0223606806248426, 0.0, 73.129997253418, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 12.0433835983276, 0.0, 0.0, 9.91000843048096, 0.0, , 102.0, 0.0, 268.402252197266, 0.0, 0.0, 9.88239097595215, 0.0, 265.09375, 0.0, 0.0, 10.1034860610962, 0.0, 0.0, 0.0, , 0.0, 265.697113037109, 9.43529987335205, 4.16992521286011, 8.0, 229.585571289062, 0.0, 252.050003051758, 0.0, 159.579406738281, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 7.11288404464722, , , 0.5, 4.34606504440308, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.85162401199341, 0.0, 0.0, 2.94168281555176, , 1.9711971282959, 0.0, 0.0, 0.0, 0.0, 1.3690824508667, 0.0, 0.0, 0.250739067792892, 0.0, 0.0, 0.0, 1.0, -0.0786714255809784, 1.0, 0.696923434734344, 0.0, 0.0, 0.0
-InChI%3D1S%2F2C2H4O2.Pb%2Fc2%2A1-2%283%294%3B%2Fh2%2A1H3%2C%28H%2C3%2C4%29%3B%2Fq%3B%3B%2B2%2Fp-2, 0.0, 0.0 0.0, 0.0, -0.00454985210672021, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 24.0, -884901888.0, 0.0 0.0, 0.0, 4.76220293421648e-06, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 16.0, 0.0, 0.0, 0.0 0.0, 0.0, 10.8888893127441, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 10.1013994216919, 0.0, 1.40824830532074, 0.0, , 9.99999971718069e-10, 0.0, 0.0, 0.40824830532074, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 80.2600021362305, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 308.75146484375, 0.0, 0.0, 7.32836771011353, 0.0, 0.0, 24000000000.0, 9.99999971718069e-10, 106.36775970459, 2.0, 0.0, 8.87730598449707, 0.0, 85.1973114013672, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.000126491111586802, 69.3822021484375, 0.0, 4.16992521286011, 0.0, 0.0, 0.0, 72.0500030517578, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.154700756073, 0.0, 0.0, 0.999000012874603, 3.46410155296326, 0.0, 0.0, 0.0, 1.15470051765442, 0.0, 3.46410155296326, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.542050421237946, 0.0, 0.0, 0.0, 2.0, -0.26647537946701, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H, 0.0, 0.492799282073975 0.492799282073975, 0.20412415266037, -0.113162949681282, 0.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.0, 0.13036136329174, 0.0, 0.0, 0.20412415266037 0.20412415266037, -0.0509975180029869, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 30.0, 44.0, 0.106345199048519 0.106345199048519, 0.0, 0.0, 0.0, 0.0, 0.100116394460201 0.100116394460201, 0.0, 0.333333343267441, 0.0, 5.14285707473755, 0.0, 0.0, 0.0185185186564922 0.0185185186564922, 0.0, 2.34375, 0.144337564706802, 0.0, 0.0, 0.0, 1.1851851940155, 0.102062076330185, 0.039283711463213, 0.0, 0.0, 0.102062076330185, 3.62589764595032, 0.0226804614067078, 1.91954565048218, 0.00925925932824612, , 0.0, 0.0680413842201233, 0.0, 1.13327074050903, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.659336924552917, 0.0, 0.0, 0.0, 0.358319312334061, 0.0, 0.0, 0.0, 0.084078885614872, 0.0, 0.0, 0.0, 0.0, 0.0185185186564922, 0.0, 30.2099990844727, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.54893779754639, 0.0, 0.0, 7.99627590179443, 0.0, 0.0, 43.0, 0.0, 216.849029541016, 0.0, 0.0, 9.32836818695068, 0.0, 229.107192993164, 0.0, 0.0, 5.10656118392944, 0.0, 0.0, 0.0, 0.0, 0.0, 260.798461914062, 2.66418385505676, 3.80735492706299, 4.0, 100.654312133789, 0.0, 79.0199966430664, 0.0, 39.8707580566406, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 5.11288404464722, 0.0, 0.0, 0.5, 3.4318516254425, 1.0, 0.0, 0.0, 0.20412415266037, 0.0, 2.55873084068298, 0.0, 0.0, 3.30192732810974, 0.0, 2.05209517478943, 0.0, 2.82842707633972, 0.0, 0.0, 1.41861128807068, 3.0, 0.0, 0.315179973840714, 0.0, 0.0, 1.0, 1.0, -0.123790875077248, 0.0, 0.492799282073975, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29, 0.0, 0.741581618785858 0.741581618785858, 0.451184451580048, 0.19734400510788, 0.0, 0.0, 0.0, 1.09341299533844 1.09341299533844, 0.0, -0.174203112721443, 0.0, 0.0, 1.02022004127502 1.02022004127502, 0.0597333461046219, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 36.0, 54.0, 0.110381416976452 0.110381416976452, 0.0, 0.25, 0.0, 0.0, 0.108120687305927 0.108120687305927, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.0786290466785431 0.0786290466785431, 0.0, 2.51999998092651, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.0833333358168602, 0.0, 2.0, 0.0, 0.16666667163372, 3.94355487823486, 0.0166666675359011, 1.99824130535126, 0.01490711979568, , 0.5, 0.102456383407116, 0.0, 1.21483957767487, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.628162145614624, 0.0, 0.0, 0.0, 0.33919283747673, 0.0, 0.0, 0.0, 0.162909939885139, 0.0, 0.0, 0.0, 0.0, 0.0372678004205227, 0.0, 66.2399978637695, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.2689142227173, 0.0, 0.0, 9.32892513275146, 0.0, 0.0, 61.0, 0.0, 263.657318115234, 0.0, 0.0, 12.6848487854004, 0.0, 280.227416992188, 0.0, 0.0, 8.66073799133301, 0.0, 0.0, 0.0, 0.0, 0.0, 330.744384765625, 4.66002702713013, 4.0, 7.0, 220.843841552734, 0.0, 88.0400009155273, 0.0, 72.0808181762695, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 1.0, 0.0, 5.98312759399414, 0.0, 0.0, 0.25, 3.78769373893738, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 3.37694931030273, 0.0, 0.0, 1.0, 0.0, 2.19858479499817, 0.0, 2.14913988113403, 2.0, 0.0, 1.73736357688904, 2.0, 0.0, 0.286564260721207, 0.0, 0.0, 0.0, 0.0, -0.226156368851662, 0.0, 0.971404492855072, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H12N2O3%2Fc1-3-14-6-9%2812%2816%2917%2910%2815%298-5-4-7%282%2913-11%288%2914%2Fh4-6H%2C3H2%2C1-2H3%2C%28H%2C16%2C17%29, 0.0, 3.26715970039368 3.26715970039368, 3.02827024459839, 0.0299207977950573, 2.0, 0.0, 0.0, 5.18520259857178 5.18520259857178, 1.62775564193726, -0.383951812982559, 0.0, 0.0, 7.75214290618896 7.75214290618896, 0.393608003854752, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 88.0, 204.0, 1.17214870452881 1.17214870452881, 0.0, 0.944940805435181, 0.0, 0.0, 1.54383063316345 1.54383063316345, 0.0, 0.0, 0.0, 13.4320983886719, 0.0, 0.0, 2.00089716911316 2.00089716911316, 0.0, 5.32544374465942, 0.0, 0.0, 0.0, 0.0, 2.55999994277954, 0.113402299582958, 0.0, 1.0, 0.0, 0.314383894205093, 9.80440139770508, 0.0414556711912155, 5.53851985931396, 0.0965318158268929, , 6.63197565078735, 0.576763868331909, 0.0, 4.11751079559326, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.97862076759338, 0.0, 0.0959113389253616, 0.0, 2.02296876907349, 2.0, 0.0, 0.0, 1.48792099952698, 0.0, 0.0, 0.0, 0.0, 0.867717504501343, 0.0, 70.5, 0.0, 0.424282401800156, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.0433826446533, 2.0, 0.0, 19.8272018432617, 0.0, 0.0, 470.0, 0.16666667163372, 1048.52038574219, 2.0, 0.0, 29.4599361419678, 2.436678647995, 1239.33227539062, 0.0, 0.0, 32.9862174987793, 0.0, 0.0, 0.0, 0.0, 3.02611374855042, 1773.66137695312, 31.4238185882568, 5.08746290206909, 29.0, 1859.51965332031, 0.0, 752.049987792969, 0.0, 1463.32092285156, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 5.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.5, 3.0, 0.0, 12.5769853591919, 0.0, 0.0, 0.5, 8.04091262817383, 0.0, 0.0, 0.0, 1.3893735408783, 0.0, 7.41695213317871, 1.0, 0.0, 1.96925938129425, 0.0, 6.12906551361084, 0.416814535856247, 9.57081317901611, 1.0, 0.0, 5.04838275909424, 2.0, 0.0, 0.484933018684387, 0.0, 0.0, 0.0, 2.0, -0.172619238495827, 1.0, 4.15119504928589, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H, , 1.13807117938995 1.13807117938995, 0.333333343267441, -0.0821191072463989, 0.0, , , 1.04044008255005 1.04044008255005, 0.0833333358168602, 0.0340428240597248, , , 1.13807117938995 1.13807117938995, -0.00128189276438206, , 0.0, 0.333333343267441, , , , 36.0, 54.0, 0.206806227564812 0.206806227564812, , 0.333333343267441, , 0.0, 0.16243277490139 0.16243277490139, 0.0, 0.0, , 6.125, 0.0, , 0.137870818376541, 0.0, 2.51999998092651, 0.0, 0.0, , 0.0, 1.48760330677032, 0.0833333358168602, 0.0, , 0.0, 0.16666667163372, 4.20382833480835, 0.0277777779847383, 2.27456378936768, 0.0248451996594667, , 1.0, 0.129099443554878, 0.0, 1.48871433734894, 0.0, 0.0, , 0.0, , 0.0, 0.881731867790222, 0.0, 0.0166666675359011, , 0.464163094758987, 0.0, 0.0, , 0.259390205144882, , , , 0.0, 0.0496903993189335, , 40.4599990844727, 0.0, 0.00555555569007993, , 0.0, 0.0, 0.0, , 0.0, 9.54893779754639, 0.0, , 8.66418361663818, 0.0, , 60.0, 0.0, 310.432037353516, 0.0, 0.0, 11.3283681869507, 0.0, 331.359985351562, 0.0, 0.0, 10.1028366088867, 0.0, , , , 0.0, 393.240386962891, 2.66418385505676, 4.0, 8.0, 277.594329833984, , 140.020004272461, 0.0, 60.4979057312012, 2.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, , , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 5.98312759399414, , , 0.25, 3.80453038215637, 0.0, , , 0.471404522657394, , 3.23902487754822, 0.0, 0.0, 3.96540641784668, , 2.54033637046814, 0.16666667163372, 4.29827976226807, , , 1.50166130065918, 4.0, , 0.166801989078522, 0.0, 0.0, , , -0.0340428240597248, , 1.02437734603882, , , 
-InChI%3D1S%2FC12H12N2O2S%2Fc13-9-1-5-11%286-2-9%2917%2815%2C16%2912-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2, 0.0, 3.72806739807129 3.72806739807129, 2.40543627738953, -0.0172312334179878, 0.0, 0.0, 0.0, 4.81010866165161 4.81010866165161, 1.08662402629852, 0.000906996545381844, 0.0, 0.0, 5.96599149703979 5.96599149703979, -0.0249314326792955, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 88.0, 262.0, 1.5121237039566 1.5121237039566, 0.0, 0.5, 1.0, 0.0, 1.69651734828949 1.69651734828949, 0.0, 0.0, 0.0, 13.4320983886719, 0.0, 0.0, 1.86147832870483 1.86147832870483, 0.0, 5.32544374465942, 0.0, 0.0, 0.0, 0.0, 3.0625, 0.16666667163372, 0.0, 0.0, 0.0, 0.25, 9.45710945129395, 0.0555555559694767, 5.79518699645996, 0.0802477896213531, , 1.53261888027191, 0.803003132343292, 2.0, 4.73720693588257, 0.0, 0.0, 0.0, 0.0361295826733112, 0.0, 0.0, 3.38425254821777, 0.0, 0.166171491146088, 0.0, 2.13867735862732, 0.0, 0.0240863878279924, 0.0, 1.49246180057526, 0.0, 0.0, 0.0, 0.0, 0.86309826374054, 0.0, 94.5599975585938, 0.100000001490116, 0.415875256061554, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 25.3966674804688, 0.0, 0.0, 26.784740447998, 0.0, 0.0, 516.0, 0.0, 1333.55053710938, 0.0, 0.0, 35.446720123291, 0.0, 1542.65600585938, 0.0, 0.0, 36.000617980957, 0.0, 0.0, 0.0, 0.0, 0.0, 2164.1015625, 26.3286762237549, 5.08746290206909, 26.0, 2088.74853515625, 0.0, 628.049987792969, 0.0, 1553.0087890625, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 12.4662551879883, 0.0, 0.0, 0.5, 7.99803733825684, 0.0, 0.0, 0.0, 1.77670896053314, 0.0, 7.73495864868164, 0.0, 0.16666667163372, 8.69190216064453, 0.0, 6.1361083984375, 0.622008442878723, 12.3619976043701, 0.0, 0.0, 4.3415265083313, 8.0, 0.0, 0.209629982709885, 0.16666667163372, 0.0, 0.0, 2.0, -0.0475108176469803, 0.0, 3.3709614276886, 0.0, 0.0, 0.0
-InChI%3D1S%2FC14H12N4O3S%2Fc19-8-7-15-13-9-3-1-2-4-10%289%2916-14%2817-13%2911-5-6-12%2822-11%2918%2820%2921%2Fh1-6%2C19H%2C7-8H2%2C%28H%2C15%2C16%2C17%29, 0.0, 3.23417472839355 3.23417472839355, 3.94917178153992, -0.0703167244791985, 2.0, 0.0, 0.0, 4.8136682510376 4.8136682510376, 2.80592155456543, 0.0892537087202072, 0.0, 0.0, 6.75077867507935 6.75077867507935, -0.100538149476051, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 1.0, 114.0, 397.0, 1.47375512123108 1.47375512123108, 0.0, 0.481411129236221, 0.0, 0.0, 1.90825271606445 1.90825271606445, 0.0, 0.0, 0.0, 16.84375, 0.0, 0.0, 2.14883351325989 2.14883351325989, 0.0, 7.71349859237671, 0.117851130664349, 0.0, 0.0, 0.0, 3.92561984062195, 0.274971663951874, 0.102062076330185, 1.0, 0.0, 0.528555750846863, 12.338547706604, 0.150389090180397, 7.52362155914307, 0.188246607780457, , 6.07259321212769, 0.671913862228394, 0.0, 5.74812269210815, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.31183767318726, 0.0, 0.114354111254215, 0.0, 3.07579255104065, 0.0, 0.0, 0.0, 2.05729293823242, 0.0, 0.0, 0.0, 0.0, 1.29907333850861, 0.0, 130.710006713867, 0.0, 0.790381729602814, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 31.89111328125, 1.0, 0.0, 29.9418907165527, 0.0, 0.0, 1059.0, 0.0, 1619.43774414062, 1.0, 0.0, 43.9430236816406, 0.0, 1928.32922363281, 0.0, 0.0, 45.7177848815918, 0.0, 0.0, 0.0, 0.0, 0.0, 2709.48608398438, 38.3542404174805, 5.45943164825439, 33.0, 2625.38354492188, 0.0, 982.080017089844, 0.0, 2369.89916992188, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 1.19055080413818, 0.0, 0.0, 0.536342144012451, 8.0, 0.0, 15.5267333984375, 0.0, 0.0, 0.454545468091965, 10.6858720779419, 0.0, 2.0, 0.0, 1.30274939537048, 1.0, 9.41941261291504, 1.0, 0.0, 7.03273344039917, 0.0, 7.83605909347534, 0.386082768440247, 13.9972095489502, 0.0, 0.0, 6.46786022186279, 6.0, 0.0, 0.404060304164886, 0.0, 0.0, 0.0, 2.0, -0.169136300683022, 0.0, 5.29105520248413, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H3N3O2S%2Fc4-3-5-1-2%289-3%296%287%298%2Fh1H%2C%28H2%2C4%2C5%29, 0.0, 1.38960480690002 1.38960480690002, 0.464615613222122, 0.017064917832613, 1.0, 0.0, 0.0, 1.48102939128876 1.48102939128876, 0.0, -0.0702171847224236, 0.0, 0.0, 1.5398815870285 1.5398815870285, -0.0103435898199677, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 42.0, 68.0, 0.685956180095673 0.685956180095673, 0.0, 0.5, 0.0, 0.0, 0.674776256084442 0.674776256084442, 0.0, 0.0, 1.0, 7.11111116409302, 0.0, 0.0, 0.380187124013901 0.380187124013901, 0.0, 2.72222232818604, 0.117851130664349, 0.0, 0.0, 0.0, 1.70414197444916, 0.185892507433891, 0.125, 0.0, 0.0, 0.20412415266037, 5.27291202545166, 0.118401698768139, 3.20462822914124, 0.0735943987965584, , 0.5, 0.419733047485352, 0.0, 2.7559826374054, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.91718125343323, 0.0, 0.0372678004205227, 0.0, 1.20842349529266, 0.0, 0.0, 0.0, 0.425992429256439, 0.0, 0.0, 0.0, 0.0, 0.109920993447304, 0.0, , 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.25, 17.7566547393799, 0.0, 0.0, 14.1112432479858, 0.0, 0.0, 87.0, 0.0, 458.732238769531, 1.0, 0.0, 22.1411895751953, 0.0, 511.059204101562, 0.0, 0.0, 14.6355266571045, 0.0, 0.0, 0.0, 0.0, 0.0, 636.030700683594, 7.13110399246216, 4.16992521286011, 8.0, 331.779632568359, 0.0, 124.059997558594, 0.0, 165.736129760742, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 1.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 6.85337114334106, 0.0, 0.0, 0.400000005960464, 4.19837713241577, 0.0, 1.0, 0.0, 0.788675129413605, 0.0, 3.92232084274292, 1.0, 0.0, 0.0, 0.0, 2.67818427085876, 0.16666667163372, 1.41421353816986, 0.0, 0.0, 1.85662066936493, 0.0, 0.0, 0.191486939787865, 0.0, 0.0, 0.0, 2.0, -0.0655553415417671, 0.0, 1.12507581710815, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H4N2O3S%2Fc10-9%2811%297-2-1-6%2812-7%295-3-13-4-8-5%2Fh1-4H, 0.0, 1.93999695777893 1.93999695777893, 1.59731233119965, -0.0762257650494576, 0.0, 0.0, 0.0, 2.45438528060913 2.45438528060913, 0.848921060562134, 0.15890571475029, 0.0, 0.0, 2.66758871078491 2.66758871078491, -0.0884038358926773, 0.0, 0.0, 0.75, 0.0, 0.0, 1.0, 66.0, 152.0, 0.440346926450729 0.440346926450729, 0.0, 0.5, 0.0, 0.0, 0.597615480422974 0.597615480422974, 0.0, 0.666666686534882, 0.0, 9.55102062225342, 0.0, 0.0, 0.494655221700668 0.494655221700668, 0.0, 4.02216053009033, 0.262188702821732, 0.0, 0.0, 0.0, 2.08333325386047, 0.219416096806526, 0.125307783484459, 0.0, 0.0, 0.389442652463913, 7.15331792831421, 0.0778684094548225, 4.34238147735596, 0.0824442580342293, , 1.65096366405487, 0.213447719812393, 0.0, 2.9873628616333, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.04299592971802, 0.0, 0.0239986199885607, 0.0, 1.43887102603912, 0.0, 0.0, 0.0, 0.649422585964203, 0.0, 0.0, 0.0, 0.0, 0.391107171773911, 0.0, 100.089996337891, 0.0, 0.201531767845154, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 22.1711368560791, 0.0, 0.0, 19.6092414855957, 0.0, 0.0, 250.0, 0.0, 692.462463378906, 0.0, 0.0, 26.2702007293701, 0.0, 791.564575195312, 0.0, 0.0, 19.2670211791992, 0.0, 0.0, 0.0, 0.0, 0.0, 1050.73413085938, 19.3852005004883, 4.70043992996216, 14.0, 698.206665039062, 0.0, 168.059997558594, 0.0, 632.132629394531, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.200000002980232, 4.0, 0.0, 9.25914859771729, 0.0, 0.0, 0.428571432828903, 6.2708568572998, 0.0, 0.0, 0.0, 0.833333313465118, 0.0, 5.62176561355591, 0.0, 0.0, 2.14426136016846, 0.0, 4.52305269241333, 0.25, 5.8319354057312, 1.0, 0.0, 3.51516914367676, 4.0, 0.0, 0.346709966659546, 0.0, 0.0, 1.0, 2.0, -0.167393684387207, 0.0, 2.05578207969666, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H11N3O%2Fc13-11-12-6-2-4-9%2812%298-3-1-5-10-7-8%2Fh1%2C3%2C5%2C7%2C9H%2C2%2C4%2C6H2, 0.0, 1.42949759960175 1.42949759960175, 1.39961671829224, 0.0318026170134544, 3.0, 0.0, 0.0, 2.47093868255615 2.47093868255615, 0.870627224445343, -0.0421247072517872, 0.0, 0.0, 2.85722470283508 2.85722470283508, 0.0364178828895092, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 64.0, 150.0, 0.674624979496002 0.674624979496002, 0.0, 0.0, 0.0, 0.0, 0.988320231437683 0.988320231437683, 0.0, 0.0, 0.0, 9.55102062225342, 0.0, 0.0, 0.893050968647003 0.893050968647003, 0.0, 4.48148155212402, 0.117851130664349, 0.0, 0.0, 0.0, 2.08333325386047, 0.253436774015427, 0.0912870913743973, 0.0, 0.0, 0.286596477031708, 7.2579607963562, 0.111313574016094, 4.41433906555176, 0.10412809252739, , 1.0, 0.26916179060936, 0.0, 3.18910694122314, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.39860916137695, 0.0, 0.0592965446412563, 0.0, 1.76104366779327, 0.0, 0.0, 0.0, 0.931074023246765, 0.0, 0.0, 0.0, 0.0, 0.457889795303345, 0.0, 45.560001373291, 0.0, 0.234466820955276, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.8544330596924, 1.0, 0.0, 15.5781946182251, 0.0, 0.0, 241.0, 0.0, 698.113159179688, 0.0, 0.0, 19.7167625427246, 0.0, 801.762329101562, 0.0, 0.0, 17.8274803161621, 0.0, 0.0, 0.0, 0.0, 0.0, 1056.57495117188, 16.0210056304932, 4.70043992996216, 16.0, 859.573547363281, 0.0, 469.040008544922, 0.0, 663.902526855469, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.200000002980232, 0.0, 0.0, 1.0, 5.0, 0.0, 9.09601211547852, 0.0, 0.0, 0.428571432828903, 6.41501474380493, 0.0, 0.0, 0.0, 0.469416111707687, 1.0, 5.1611762046814, 1.0, 0.0, 7.57547664642334, 0.0, 4.49757766723633, 0.136082768440247, 6.88320255279541, 1.0, 0.0, 3.75531578063965, 4.0, 0.0, 0.121242843568325, 0.0, 0.0, 0.0, 1.0, -0.0612588860094547, 1.0, 2.58075833320618, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29, , 1.05047678947449 1.05047678947449, 0.788991153240204, 0.0160901062190533, 0.0, , , 1.38447082042694 1.38447082042694, 0.532657027244568, -0.0116178514435887, , , 1.6854807138443, -0.0537859573960304, , 0.0, 0.75, , , , 50.0, 115.0, 0.259400397539139, , 0.142857149243355, , 0.0, 0.290459334850311, 0.0, 0.0, , 9.09090900421143, 0.0, , 0.271665543317795, , 4.13265323638916, 0.0, 0.0, , 0.0, 3.26530623435974, 0.0833333358168602, 0.0, , 0.0, 0.142258897423744, 6.15104198455811, 0.0277777779847383, 3.21579432487488, 0.0248451996594667, , 0.965489387512207, 0.249071195721626, , 2.17541480064392, 0.0, 0.0, , 0.0, , , 1.14061212539673, 0.0, 0.0, , 0.71400249004364, 1.0, 0.0, , 0.431203037500381, , , , 0.0, 0.141808107495308, , 52.8199996948242, 0.0, 0.0676819086074829, , 0.0, 0.0, 0.0, , 0.0, 12.9089260101318, 0.0, , 11.9965543746948, 0.0, , 166.0, 0.0, 492.451721191406, 1.0, 0.0, 16.0482978820801, 0.894427180290222, 529.390014648438, , 0.0, 12.3286466598511, 0.0, , , , 1.14471423625946, 645.596069335938, 9.16246128082275, 4.45943164825439, 11.0, 511.763366699219, , 290.029998779297, 0.0, 331.091003417969, 2.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 1.0, , , , 1.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 8.26758480072021, , , 0.428571432828903, 5.18154048919678, 0.0, , , 0.901047587394714, , 4.75544691085815, 0.0, 0.0, 3.30192732810974, , 2.94016623497009, 0.0, 6.29469060897827, , , 2.23148417472839, 4.0, , 0.223567694425583, 0.0, 0.0, , , -0.105715855956078, , 1.74555850028992, , , 
-InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3, 0.0, 1.32770919799805 1.32770919799805, 1.60457706451416, 0.0865051746368408, 3.0, 2.0, 0.0, 2.12406396865845 2.12406396865845, 1.09054040908813, -0.00201316713355482, 0.0, 0.0, 2.34669089317322 2.34669089317322, -0.000186635719728656, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 60.0, 140.0, 0.473270982503891 0.473270982503891, 0.0, 0.0, 0.0, 0.0, 0.643812596797943 0.643812596797943, 0.0, 0.0, 0.0, 8.59171581268311, 0.0, 0.0, 0.595945954322815 0.595945954322815, 0.0, 3.80622839927673, 0.117851130664349, 0.0, 0.0, 0.0, 1.85950410366058, 0.234708055853844, 0.0294627826660872, 0.0, 0.0, 0.310301214456558, 7.16986751556396, 0.0580769516527653, 4.28429269790649, 0.0647992268204689, , 1.65096366405487, 0.235702261328697, 0.0, 2.93761372566223, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.9756555557251, 0.0, 0.0138888889923692, 0.0, 1.38513076305389, 1.0, 0.0, 0.0, 0.811331570148468, 0.0, 0.0, 0.0, 0.0, 0.448507010936737, 0.0, 18.4599990844727, 0.0, 0.258580714464188, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 13.5489377975464, 1.0, 0.0, 14.3283681869507, 0.5, 0.0, 197.0, 0.0, 613.731811523438, 0.0, 0.0, 19.1028366088867, 1.86186528205872, 692.272216796875, 0.0, 0.0, 15.3283681869507, 0.0, 0.0, 0.0, 0.0, 0.669432938098907, 906.129028320312, 10.9962759017944, 4.58496236801147, 14.0, 735.337097167969, 0.0, 493.019989013672, 0.0, 485.552154541016, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 8.38890552520752, 0.0, 0.0, 0.428571432828903, 5.89817810058594, 0.0, 0.0, 0.0, 0.537457466125488, 0.0, 4.91881608963013, 0.0, 0.0, 5.57554531097412, 0.0, 4.09520864486694, 0.0833333358168602, 8.83114051818848, 0.0, 0.0, 3.47019290924072, 3.0, 0.0, 0.344092339277267, 0.0, 0.0, 0.0, 0.0, -0.256348609924316, 0.0, 2.41545534133911, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H10N2O%2Fc1-3-6%284-2%295-7%2Fh3-4H2%2C1-2H3, , 0.61237245798111 0.61237245798111, 0.0, 0.0282179713249207, 2.0, 0.0, 0.0, 0.61237245798111 0.61237245798111, 0.0, -0.0203725434839725, , 0.0, 0.0 0.0, -0.00507174944505095, , 0.0, 1.0, 0.0, 0.0, 0.0, 24.0, 36.0, 0.240824833512306 0.240824833512306, 0.0, 0.0, 0.0, 0.0, 0.181649655103683 0.181649655103683, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 0.0 0.0, 0.0, 4.16666650772095, 0.0, 0.0, 0.0, 0.0, 2.66666674613953, 0.0, 0.0, 0.0, 0.0, 0.0, 4.71688890457153, 0.0, 2.42924332618713, 0.0, , 0.0, 0.100000001490116, 0.0, 1.22055470943451, 0.0, 0.0, , 0.0, , 0.0, 0.845526337623596, 0.0, 0.0, , 0.339076846837997, 2.0, 0.0, 0.0, 0.0, , , , 0.0, 0.0, 0.0, 32.6699981689453, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 8.49444484710693, 0.0, , 7.24582433700562, 0.0, , 48.0, 0.25, 213.901000976562, 0.0, 0.0, 7.21820688247681, 2.30940103530884, 201.253967285156, 0.0, 0.0, 6.99655437469482, 0.0, 0.0, 0.0, , 0.0, 194.227340698242, 3.66418385505676, 3.80735492706299, 6.0, 154.646636962891, 0.0, 214.029998779297, 0.0, 58.4854698181152, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.69867038726807, , , 0.5, 3.34606528282166, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.09077024459839, 0.0, 0.0, 0.5, , 1.73205077648163, 0.0, 0.0, 0.0, 0.0, 0.866025388240814, 0.0, 0.0, 0.0585289783775806, 0.0, 0.0, 0.0, 1.0, -0.0320381671190262, 1.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC12H10N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H%2Fb14-13%2B, 0.0, 0.866025388240814 0.866025388240814, 1.28445708751678, -0.0621533803641796, 0.0, 0.0, 0.0, 1.18728744983673 1.18728744983673, 0.870790839195251, -0.00502108177170157, 0.0, 0.0, 1.33742988109589 1.33742988109589, 0.0115900654345751, 0.0, 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 66.0, 212.0, 0.238799259066582 0.238799259066582, 0.0, 0.0, 0.0, 0.0, 0.259384572505951 0.259384572505951, 0.0, 0.0, 0.0, 10.5155553817749, 0.0, 0.0, 0.236179545521736 0.236179545521736, 0.0, 5.77777767181396, 0.0, 0.0, 0.0, 0.0, 3.59183669090271, 0.20412415266037, 0.0, 0.0, 0.0, 0.144337564706802, 7.66792964935303, 0.0641500279307365, 4.46858072280884, 0.0286887660622597, , 0.333333343267441, 0.149071201682091, 0.0, 2.871098279953, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.79332733154297, 0.0, 0.0, 0.0, 1.10479164123535, 0.0, 0.0, 0.0, 0.694594323635101, 0.0, 0.0, 0.0, 0.0, 0.21729202568531, 0.0, 24.7199993133545, 0.0, 0.114548899233341, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.7199764251709, 0.0, 0.0, 15.6923589706421, 0.0, 0.0, 343.0, 0.0, 724.2197265625, 0.0, 0.0, 18.9971122741699, 0.0, 789.3232421875, 0.0, 0.0, 16.3294811248779, 0.0, 0.0, 0.0, 0.0, 0.0, 946.122192382812, 10.9971113204956, 4.80735492706299, 15.0, 786.245300292969, 0.0, 443.019989013672, 0.0, 535.936096191406, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 0.0, 9.63998222351074, 0.0, 0.0, 0.444444447755814, 6.94948959350586, 0.0, 0.0, 0.0, 0.40824830532074, 2.0, 5.58542203903198, 0.0, 0.0, 12.7378730773926, 0.0, 4.43265295028687, 0.0, 7.16293048858643, 0.0, 0.0, 3.42303419113159, 10.0, 0.0, 0.100148089230061, 0.0, 0.0, 0.0, 0.0, 0.00117378542199731, 0.0, 2.70790815353394, 0.0, 0.0, 0.0
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-InChI%3D1S%2FCH4N2S%2Fc2-1%283%294%2Fh%28H4%2C2%2C3%2C4%29, 0.0, 0.0 0.0, 0.0, 0.0112932361662388, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.0, 9.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0 0.0, 0.0, 1.33333337306976, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.91899108886719, 0.0, 1.20949554443359, 0.0, , 0.0, 0.193649172782898, 1.0, 0.867046117782593, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 88.6699981689453, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.847728729248, 0.0, 0.0, 5.00215578079224, 0.0, 0.0, 9.0, 0.0, 154.223831176758, 1.0, 0.0, 7.58691644668579, 0.0, 128.027679443359, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 97.3420104980469, 0.0, 3.0, 0.0, 0.0, 1.0, 37.0299987792969, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.5773503780365, 0.0, 0.0, 0.5, 1.73205077648163, 0.0, 0.0, 0.0, 0.577350258827209, 0.0, 1.73205077648163, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0638763979077339, 0.0, 0.0, 0.0, 0.0, -0.043231438845396, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H6O2%2Fc6-4-5-2-1-3-7-5%2Fh1-3%2C6H%2C4H2, 0.0, 0.492799282073975 0.492799282073975, 0.20412415266037, -0.0934500396251678, 1.0, 0.0, 0.0, 0.594861328601837 0.594861328601837, 0.0, 0.107042357325554, 0.0, 0.0, 0.20412415266037 0.20412415266037, -0.0386559516191483, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 30.0, 44.0, 0.133492842316628 0.133492842316628, 0.0, 0.0, 0.0, 0.0, 0.126366481184959 0.126366481184959, 0.0, 0.333333343267441, 0.0, 5.14285707473755, 0.0, 0.0, 0.0248451996594667 0.0248451996594667, 0.0, 2.34375, 0.144337564706802, 0.0, 0.0, 0.0, 1.1851851940155, 0.102062076330185, 0.039283711463213, 1.0, 0.0, 0.102062076330185, 3.7946195602417, 0.0277777779847383, 2.06494927406311, 0.0124225998297334, , 0.0, 0.0833333358168602, 0.0, 1.23747742176056, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.735937893390656, 0.0, 0.0, 0.0, 0.402544885873795, 0.0, 0.0, 0.0, 0.107501164078712, 0.0, 0.0, 0.0, 0.0, 0.0248451996594667, 0.0, 33.3699989318848, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.54893779754639, 0.0, 0.0, 7.99627590179443, 0.0, 0.0, 43.0, 0.0, 228.301025390625, 0.0, 0.0, 9.32836818695068, 0.0, 239.709121704102, 0.0, 0.0, 5.10656118392944, 0.0, 0.0, 0.0, 0.0, 0.0, 272.952056884766, 2.66418385505676, 3.80735492706299, 4.0, 112.339195251465, 0.0, 127.019996643066, 0.0, 45.4687423706055, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 5.11288404464722, 0.0, 0.0, 0.5, 3.4318516254425, 0.0, 0.0, 0.0, 0.20412415266037, 0.0, 2.55873084068298, 0.0, 0.0, 3.30192732810974, 0.0, 2.05209517478943, 0.0, 2.82842707633972, 0.0, 0.0, 1.41861128807068, 3.0, 0.0, 0.262317299842834, 0.0, 0.0, 1.0, 0.0, -0.106095008552074, 0.0, 0.492799282073975, 0.0, 0.0, 0.0
-InChI%3D1S%2FC16H15NO2%2Fc17-15-11-5-4-10-14%2815%2916%2818%2919-12-6-9-13-7-2-1-3-8-13%2Fh1-11H%2C12%2C17H2%2Fb9-6%2B, 0.0, 1.9326856136322 1.9326856136322, 1.73710739612579, 0.080242283642292, 1.0, 1.0, 0.0, 2.90577626228333 2.90577626228333, 1.12476408481598, -0.111036218702793, 0.0, 0.0, 3.3189857006073 3.3189857006073, 0.0705439150333405, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 90.0, 380.0, 0.562836349010468 0.562836349010468, 0.0, 0.0, 0.0, 0.0, 0.646886765956879 0.646886765956879, 0.0, 0.5, 0.0, 15.3900003433228, 0.0, 0.0, 0.592703223228455 0.592703223228455, 0.0, 8.32320022583008, 0.0, 0.0, 0.0, 0.0, 5.11999988555908, 0.185395404696465, 0.0, 0.0, 0.0, 0.203614637255669, 10.4518070220947, 0.0598527938127518, 6.0038890838623, 0.0484449155628681, , 2.19251728057861, 0.293393820524216, 1.0, 3.99876475334167, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.60123014450073, 0.0, 0.0360843911767006, 0.0, 1.63279724121094, 0.0, 0.0, 0.0, 0.984897911548615, 0.0, 0.0, 0.0, 0.0, 0.393091142177582, 0.0, 52.3199996948242, 0.0, 0.202849388122559, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.9089260101318, 2.0, 0.0, 21.1624603271484, 0.0, 0.0, 850.0, 0.0, 1051.7412109375, 1.0, 0.0, 27.1031150817871, 0.0, 1156.28894042969, 0.0, 0.0, 26.4911079406738, 0.0, 0.0, 0.0, 0.0, 0.0, 1424.09289550781, 22.2656688690186, 5.24792766571045, 24.0, 1304.24255371094, 0.0, 883.030029296875, 0.0, 973.392944335938, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 10.0, 0.0, 13.5017890930176, 0.0, 0.0, 0.5, 9.2708568572998, 2.0, 0.0, 0.0, 0.811611413955688, 0.0, 7.69137239456177, 0.0, 0.0, 15.8097629547119, 0.0, 6.15531015396118, 0.19245009124279, 12.5101585388184, 0.0, 0.0, 4.77952146530151, 9.0, 0.0, 0.304689258337021, 0.0, 0.0, 0.0, 1.0, -0.176944553852081, 0.0, 3.41786193847656, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H9NO6%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29, 0.0, 1.06066012382507 1.06066012382507, 1.15470051765442, -0.24138905107975, 3.0, 0.0, 0.0, 1.9112309217453 1.9112309217453, 0.0, 0.63241720199585, 0.0, 0.0, 1.74740028381348 1.74740028381348, -0.122904643416405, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 54.0, 114.0, 0.323773354291916 0.323773354291916, 0.0, 3.1143274307251, 0.0, 0.0, 0.44395050406456 0.44395050406456, 0.0, 0.0, 0.0, 13.0, 0.0, 0.0, 0.307429105043411 0.307429105043411, 0.0, 6.45333337783813, 0.0, 0.0, 0.0, 0.0, 8.33333301544189, 0.0, 0.0, 3.0, 0.0, 0.0, 6.6349196434021, 0.0, 3.29253625869751, 0.0, , 0.75, 0.351763039827347, 0.0, 2.32637763023376, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.07660162448883, 0.0, 0.0, 0.0, 0.741566359996796, 0.0, 0.0, 0.0, 0.286930650472641, 0.0, 0.0, 0.0, 0.0, 0.122729115188122, 0.0, 115.139999389648, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.0068016052246, 0.0, 0.0, 14.4911079406738, 0.0, 0.0, 270.0, 0.0, 444.532653808594, 3.0, 0.0, 19.8145141601562, 0.0, 467.885620117188, 0.0, 0.0, 15.3207960128784, 0.0, 0.0, 0.0, 0.0, 0.0, 549.9990234375, 18.9851036071777, 4.70043992996216, 12.0, 473.473083496094, 0.0, 285.070007324219, 0.0, 470.404693603516, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 10.430721282959, 0.0, 0.0, 0.5, 5.9135913848877, 0.0, 0.0, 0.0, 1.42886900901794, 0.0, 5.75467252731323, 0.0, 0.0, 1.5, 0.0, 2.41421365737915, 0.0, 4.32674884796143, 0.0, 0.0, 2.28867506980896, 0.0, 0.0, 0.722767889499664, 0.0, 0.0, 0.0, 3.0, -0.352232396602631, 1.0, 1.15470051765442, 0.0, 0.0, 0.0
-InChI%3D1S%2FC7H7NO2%2Fc1-6-2-4-7%285-3-6%298%289%2910%2Fh2-5H%2C1H3, 0.0, 1.44868838787079 1.44868838787079, 0.919957399368286, -0.0229504033923149, 0.0, 0.0, 0.0, 1.40419375896454 1.40419375896454, 0.19245009124279, -0.0154838729649782, 0.0, 0.0, 1.49826681613922 1.49826681613922, -0.00118221086449921, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 46.0, 88.0, 0.382407605648041 0.382407605648041, 0.0, 0.5, 0.0, 0.0, 0.314776986837387 0.314776986837387, 0.0, 0.0, 0.0, 8.10000038146973, 0.0, 0.0, 0.308771222829819 0.308771222829819, 0.0, 3.40828394889832, 0.0, 0.0, 0.0, 0.0, 2.28571438789368, 0.0833333358168602, 0.0, 0.0, 0.0, 0.131445854902267, 5.57311105728149, 0.0277777779847383, 2.91012239456177, 0.0402003787457943, , 0.333333343267441, 0.278470069169998, 0.0, 2.09265899658203, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.24478983879089, 0.0, 0.0124225998297334, 0.0, 0.666479587554932, 1.0, 0.0, 0.0, 0.441318511962891, 0.0, 0.0, 0.0, 0.0, 0.176395237445831, 0.0, 45.8199996948242, 0.0, 0.0202860198915005, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 11.9089260101318, 1.0, 0.0, 11.2731170654297, 0.0, 0.0, 120.0, 0.0, 407.972198486328, 0.0, 0.0, 14.7710237503052, 1.63299322128296, 443.266357421875, 0.0, 0.0, 12.660737991333, 0.0, 0.0, 0.0, 0.0, 1.0, 545.638305664062, 7.49455308914185, 4.32192802429199, 11.0, 422.005798339844, 0.0, 199.029998779297, 0.0, 187.31413269043, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 7.56047773361206, 0.0, 0.0, 0.5, 4.69837713241577, 0.0, 0.0, 0.0, 0.788675129413605, 0.0, 4.26396894454956, 0.0, 0.0, 3.30192732810974, 0.0, 3.00332260131836, 0.16666667163372, 5.65685415267944, 0.0, 0.0, 1.95252978801727, 4.0, 0.0, 0.065277062356472, 0.0, 0.0, 0.0, 2.0, 0.00701687997207046, 0.0, 1.44913530349731, 0.0, 0.0, 0.0
-InChI%3D1S%2FC15H23ClO4S%2Fc1-12%2820-21%2817%2919-10-9-16%2911-18-14-7-5-13%286-8-14%2915%282%2C3%294%2Fh5-8%2C12H%2C9-11H2%2C1-4H3, 0.0, 3.03647613525391 3.03647613525391, 1.9871152639389, 0.0953354835510254, 3.0, 3.0, 1.0, 3.69977879524231 3.69977879524231, 1.31400775909424, 0.101077176630497, 0.0, 0.0, 3.85086345672607 3.85086345672607, -0.30966055393219, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 98.0, 449.0, 1.62727224826813 1.62727224826813, 0.0, 0.0, 0.0, 0.0, 1.62129259109497 1.62129259109497, 0.0, 1.10520946979523, 0.0, 19.0476188659668, 0.0, 0.0, 1.37304413318634 1.37304413318634, 0.0, 9.20918369293213, 0.0, 1.0, 0.0, 0.0, 7.70511293411255, 0.0833333358168602, 0.0, 0.0, 0.0, 0.100592233240604, 14.1420679092407, 0.0277777779847383, 7.93791484832764, 0.0252291187644005, , 0.793700516223907, 1.62704074382782, 0.0, 6.55531740188599, 0.0, 0.987950623035431, 0.0, 0.25, 0.0, 0.0, 3.33365607261658, 0.0, 0.25, 0.0, 2.01282811164856, 4.0, 0.0833333358168602, 0.0, 1.16123831272125, 0.0, 0.0, 0.0, 0.0, 0.648410320281982, 0.0, 63.9700012207031, 0.0, 0.389376282691956, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 37.9383811950684, 1.0, 0.0, 31.9493045806885, 0.965489387512207, 0.0, 1158.0, 1.41421353816986, 1296.94567871094, 0.0, 0.0, 37.6072654724121, 5.26461935043335, 1402.04064941406, 1.0, 0.0, 37.040454864502, 0.0, 0.0, 0.0, 0.0, 3.03957056999207, 1775.57885742188, 35.0936393737793, 5.39231729507446, 26.0, 1619.93371582031, 0.0, 1516.06005859375, 2.37841415405273, 1376.66442871094, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 15.8804693222046, 0.0, 0.0, 0.5, 9.82471752166748, 0.0, 0.0, 0.0, 2.29183745384216, 0.0, 9.24929904937744, 1.0, 0.288675129413605, 5.152099609375, 0.0, 5.99442720413208, 0.433012694120407, 7.09485530853271, 0.0, 0.0, 4.31254386901855, 4.0, 0.0, 0.547504484653473, 0.144337564706802, 1.61683428287506, 0.0, 1.0, -0.360172301530838, 0.0, 3.04027652740479, 1.0, 0.0, 0.0
-InChI%3D1S%2FC17H13N3O3%2Fc1-11-6-8-14%2815%2810-11%2920%2822%2923%2918-19-17-13-5-3-2-4-12%2813%297-9-16%2817%2921%2Fh2-10%2C21H%2C1H3%2Fb19-18%2B, 0.0, 3.67789196968079 3.67789196968079, 3.55745267868042, -0.176842883229256, 0.0, 0.0, 0.0, 5.69190645217896 5.69190645217896, 2.48789691925049, -0.0821599587798119, 0.0, 0.0, 8.2508716583252 8.2508716583252, 0.12271886318922, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 120.0, 432.0, 1.12336850166321 1.12336850166321, 0.0, 0.595275402069092, 0.0, 0.0, 1.40198600292206 1.40198600292206, 0.0, 0.0, 0.0, 17.8111991882324, 0.0, 0.0, 1.59609079360962 1.59609079360962, 0.0, 7.92000007629395, 0.0, 0.0, 0.0, 0.0, 4.15879011154175, 0.206930264830589, 0.0, 1.0, 0.0, 0.435882389545441, 12.3015031814575, 0.0726673752069473, 6.93564319610596, 0.11818939447403, , 6.72347736358643, 0.60898745059967, 0.0, 5.10370922088623, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.46463918685913, 2.0, 0.0820524021983147, 0.0, 2.31684756278992, 1.0, 0.0, 0.0, 1.57274162769318, 0.0, 0.0, 0.0, 0.0, 0.747436285018921, 0.0, 90.7699966430664, 0.0, 0.391768246889114, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 26.4033718109131, 3.0, 0.0, 27.2975673675537, 0.0, 0.0, 1204.0, 0.0, 1391.64685058594, 0.0, 0.0, 38.4323196411133, 1.4901704788208, 1630.95617675781, 0.0, 0.0, 41.7340431213379, 0.0, 0.0, 0.0, 0.0, 1.49918401241302, 2259.5751953125, 37.8409767150879, 5.52356195449829, 37.0, 2285.01586914062, 0.0, 938.059997558594, 0.0, 1815.47570800781, 5.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.577350258827209, 13.0, 0.0, 16.3969764709473, 0.0, 0.0, 0.454545468091965, 11.0585508346558, 0.0, 0.0, 0.0, 1.59929239749908, 2.0, 10.0904054641724, 0.0, 0.0, 8.92957592010498, 0.0, 8.27890110015869, 0.423946142196655, 17.8824920654297, 0.0, 0.0, 6.83906745910645, 9.0, 0.0, 0.267821997404099, 0.0, 0.0, 0.0, 2.0, 0.0132055906578898, 0.0, 5.78041744232178, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H7ClN2%2Fc7-5-2-1-4%288%293-6%285%299%2Fh1-3H%2C8-9H2, 0.0, 1.47827804088593 1.47827804088593, 0.504473328590393, -0.028151236474514, 0.0, 0.0, 1.0, 1.55802857875824 1.55802857875824, 0.0680413842201233, -0.00781844090670347, 0.0, 0.0, 2.07593297958374 2.07593297958374, -0.0175044182687998, 0.0, 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 42.0, 67.0, 0.571411728858948 0.571411728858948, 0.0, 0.0, 0.0, 0.0, 0.458181768655777 0.458181768655777, 0.0, 0.0, 0.0, 7.11111116409302, 0.0, 0.0, 0.517970085144043 0.517970085144043, 0.0, 2.72222232818604, 0.0, 0.0, 0.0, 0.0, 1.70414197444916, 0.0680413842201233, 0.0, 0.0, 0.0, 0.20412415266037, 5.5206446647644, 0.0240562614053488, 2.88233089447021, 0.0550550147891045, , 1.65096366405487, 0.343221783638, 2.0, 2.18815040588379, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.3642612695694, 0.0, 0.0545544736087322, 0.0, 0.679777145385742, 0.0, 0.0, 0.0, 0.447884202003479, 0.0, 0.0, 0.0, 0.0, 0.123998917639256, 0.0, 52.0400009155273, 0.25, 0.0157485194504261, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 17.4327297210693, 0.0, 0.0, 11.2841081619263, 0.0, 0.0, 84.0, 0.0, 498.368713378906, 0.0, 0.0, 16.5682163238525, 0.0, 541.586669921875, 0.0, 0.0, 17.0104885101318, 0.0, 0.0, 0.0, 0.0, 0.0, 677.832336425781, 6.64409589767456, 4.16992521286011, 10.0, 513.872619628906, 0.0, 184.029998779297, 0.0, 178.294006347656, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.0, 0.0, 6.85337114334106, 0.0, 0.0, 0.400000005960464, 4.19837713241577, 0.0, 0.0, 0.0, 0.760079681873322, 0.0, 3.87279200553894, 0.0, 0.0, 1.65096366405487, 0.0, 2.86036610603333, 0.16666667163372, 5.85380077362061, 0.0, 0.0, 1.81676292419434, 3.0, 0.0, 0.102287016808987, 0.0, 0.0, 0.0, 0.0, -0.0191074348986149, 0.0, 1.33160018920898, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H9BrO4.Na%2Fc1-16-8-4-2-7%283-5-8%2911%2815%299%2812%296-10%2813%2914%3B%2Fh2-6H%2C1H3%2C%28H%2C13%2C14%29%3B%2Fq%3B%2B1%2Fp-1%2Fb9-6%2B%3B, 0.0, 2.33566164970398 2.33566164970398, 1.4365941286087, 0.00835697446018457, 0.0, 1.0, 0.0, 3.09955525398254 3.09955525398254, 0.955023646354675, -0.00237563089467585, 0.0, 0.0, 3.64803600311279 3.64803600311279, -0.140134140849113, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 74.0, 1935228928.0, 0.906333386898041 0.906333386898041, 0.0, 0.814325273036957, 0.0, 0.0, 0.95846563577652 0.95846563577652, 0.0, 0.381571412086487, 0.0, 17.0, 0.0, 0.0, 0.918711602687836 0.918711602687836, 0.0, 8.16326522827148, 0.0, 0.0, 0.0, 0.0, 5.44444465637207, 0.0833333358168602, 0.0, 0.0, 0.0, 0.107038088142872, 9.57545757293701, 0.0277777779847383, 4.90131855010986, 0.0252291187644005, , 3.71151256561279, 0.485879093408585, 0.0, 3.5220890045166, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.34381031990051, 0.0, 0.0748741030693054, 0.0, 1.31993758678436, 1.0, 0.0, 0.0, 0.712014436721802, 0.0, 0.0, 0.0, 0.0, 0.345314562320709, 0.0, 66.4300003051758, 0.0, 0.205020904541016, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 66.0197525024414, 1.0, 0.0, 23.3131351470947, 0.0, 0.0, 16000000000.0, 0.0, 929.680236816406, 3.0, 0.0, 35.0723724365234, 1.22089838981628, 1031.15844726562, 0.0, 0.0, 42.4919700622559, 0.0, 0.0, 0.0, 0.0, 0.962657153606415, 1312.06335449219, 47.0218544006348, 5.08746290206909, 21.0, 1263.33935546875, 0.0, 304.059997558594, 0.0, 990.710144042969, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 5.0, 0.0, 12.1293916702271, 1.0, 0.0, 0.999000012874603, 7.54091262817383, 1.0, 0.0, 0.0, 1.20719146728516, 0.0, 6.65500354766846, 0.0, 0.0, 3.83851957321167, 0.0, 4.95308971405029, 0.232307806611061, 10.4897899627686, 0.0, 0.0, 3.54509949684143, 4.0, 0.0, 0.594376444816589, 0.0, 0.0, 0.0, 2.0, -0.260942935943604, 0.0, 2.34703993797302, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H9NO2%2Fc1-3-4%282%295%286%297%2Fh4H%2C3H2%2C1-2H3, 0.0, 1.27614235877991 1.27614235877991, 0.0, -0.0232067629694939, 1.0, 0.0, 0.0, 0.70710676908493 0.70710676908493, 0.0, -0.0162322614341974, 0.0, 0.0, 0.235702261328697 0.235702261328697, -0.000612844189163297, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 26.0, 36.0, 0.40510755777359 0.40510755777359, 0.0, 0.5, 0.0, 0.0, 0.179500222206116 0.179500222206116, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 0.0304290316998959 0.0304290316998959, 0.0, 3.06122446060181, 0.0, 0.0, 0.0, 0.0, 2.66666674613953, 0.0, 0.0, 0.0, 0.0, 0.0, 4.54816722869873, 0.0, 2.31605267524719, 0.0, , 0.0, 0.225607335567474, 0.0, 1.54262375831604, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.950712203979492, 0.0, 0.0304290316998959, 0.0, 0.149071201682091, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 45.8199996948242, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.90892601013184, 0.0, 0.0, 7.27311706542969, 0.0, 0.0, 46.0, 0.333333343267441, 190.334350585938, 0.0, 0.0, 8.77102375030518, 1.41421353816986, 181.968902587891, 0.0, 0.0, 7.49455308914185, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 185.762710571289, 2.66418385505676, 3.80735492706299, 6.0, 131.272186279297, 0.0, 183.029998779297, 0.0, 33.8701324462891, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 5.86180734634399, 0.0, 0.0, 0.5, 3.18073916435242, 0.0, 0.0, 0.0, 0.569035589694977, 0.0, 2.62954902648926, 1.0, 0.0, 0.0, 0.0, 1.78202176094055, 0.235702261328697, 1.0, 0.0, 0.0, 0.471404522657394, 0.0, 0.0, 0.0654371082782745, 0.0, 0.0, 0.0, 2.0, 0.00733331497758627, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H12N2O4%2Fc1-5%2810%292-8%287-12%293-6%2811%294-9%2Fh6%2C9%2C11H%2C2-4H2%2C1H3, , 1.13087046146393 1.13087046146393, 0.514425337314606, -0.151188641786575, 3.0, 0.0, 0.0, 1.47633266448975 1.47633266448975, 0.136082768440247, 0.0760293453931808, , 0.0, 1.65812766551971 1.65812766551971, -0.0228726472705603, , 0.0, 0.75, 0.0, 0.0, 0.0, 48.0, 118.0, 0.328579634428024 0.328579634428024, 0.0, 1.16253924369812, 0.0, 0.0, 0.376882940530777 0.376882940530777, 0.0, 0.0, 0.0, 12.0, 0.0, 0.0, 0.285750776529312 0.285750776529312, 0.0, 6.50887584686279, 0.0, 0.0, 0.0, 0.0, 6.25, 0.0, 0.0, 2.0, 0.0, 0.0, 6.80402135848999, 0.0, 3.46363043785095, 0.0, , 0.25, 0.373437017202377, 0.0, 2.46720004081726, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.15289509296417, 0.0, 0.0, , 0.684782743453979, 1.0, 0.0, 0.0, 0.311187773942947, 0.0, , , 0.0, 0.135883405804634, 0.0, 90.1999969482422, 0.0, 0.0287457481026649, , 0.0, 0.0, 0.0, , 0.0, 15.8178520202637, 0.0, 0.0, 13.2421007156372, 0.0, , 221.0, 0.0, 424.297302246094, 1.0, 0.0, 15.8786668777466, 0.825481832027435, 438.856414794922, 0.0, 0.0, 15.5424184799194, 0.0, 0.0, 0.0, , 0.894427180290222, 496.5888671875, 15.3211364746094, 4.58496236801147, 12.0, 431.463012695312, 0.0, 397.059997558594, 0.0, 381.143371582031, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.0, 1.0, 0.0, 1.0, 1.0, 0.0, 9.56047821044922, , , 0.428571432828903, 5.59575414657593, 0.0, 0.0, 0.0, 0.901047587394714, 1.0, 4.65294504165649, 1.0, 0.0, 1.19055080413818, , 2.81471371650696, 0.0, 3.18138217926025, 0.0, 0.0, 1.83192729949951, 0.0, 0.0, 0.386862367391586, 0.0, 0.0, 0.0, 2.0, -0.0770431682467461, 1.0, 1.21026992797852, 0.0, 0.0, 0.0
-InChI%3D1S%2FC10HCl11%2Fc11-2-1-3%2812%295%2814%294%281%2C13%2910%2820%2C21%297%282%2C16%298%285%2C17%296%282%2C15%299%283%2C18%2919%2Fh1H, 0.0, 17.9416656494141 17.9416656494141, 8.92353630065918, -0.113140396773815, 0.0, 0.0, 11.0, 37.7298583984375 37.7298583984375, 6.01158380508423, -0.516125321388245, 0.0, 0.0, 74.986930847168 74.986930847168, 0.0987905934453011, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 164.0, 218.0, 21.6349868774414 21.6349868774414, 0.0, 0.0, 0.0, 0.0, 46.4662895202637 46.4662895202637, 0.0, 0.0, 0.0, 13.4399995803833, 0.134668782353401, 0.0, 95.3409118652344 95.3409118652344, 0.0, 2.22222232818604, 0.875347077846527, 0.0, 0.0, 0.134668782353401, 0.473372787237167, 3.41489005088806, 0.937809228897095, 0.0, 0.0, 10.5035638809204, 17.550178527832, 3.85983943939209, 9.85243892669678, 12.4850835800171, , 0.0, 5.49936676025391, 0.0, 13.0620403289795, 0.0, 5.41988611221313, 0.0, 0.850397050380707, 0.0, 0.0, 15.9948968887329, 0.0, 7.32742929458618, 0.0, 14.6378126144409, 0.0, 3.20014452934265, 0.0, 13.1021499633789, 0.0, 0.0, 0.0, 0.0, 10.4271688461304, 0.0, 0.0, 0.0, 7.06581735610962, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 105.840286254883, 8.0, 0.0, 46.4691123962402, 0.0, 0.0, 612.0, 0.0, 3737.89013671875, 0.0, 0.0, 125.025894165039, 0.0, 5521.00732421875, 9.0, 0.0, 277.422973632812, 0.0, 0.0, 0.0, 0.0, 0.0, 10761.94140625, 257.476348876953, 5.39231729507446, 70.0, 11185.0244140625, 0.0, 256.109985351562, 0.0, 5540.1494140625, 0.0, 0.0, 0.0, 0.0, 0.0, 20.1674957275391, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 16.0773506164551, 0.0, 0.0, 0.5, 9.1160249710083, 0.0, 0.0, 0.0, 4.779700756073, 0.0, 11.7900638580322, 1.0, 0.716506361961365, 0.0, 0.0, 13.9834394454956, 5.76606512069702, 0.0, 0.0, 0.0, 12.7873115539551, 0.0, 0.0, 0.537679433822632, 2.41790843009949, 0.0, 0.0, 0.0, 0.0640422403812408, 0.0, 11.3360023498535, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H14N2O4%2Fc12-10%2814%2916-6-9%287-17-11%2813%2915%298-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2%2C%28H2%2C12%2C14%29%28H2%2C13%2C15%29, 0.0, 1.52015936374664 1.52015936374664, 1.70748269557953, 0.255309194326401, 2.0, 2.0, 0.0, 1.80274939537048 1.80274939537048, 1.04676640033722, -0.124336294829845, 0.0, 0.0, 2.38158059120178 2.38158059120178, 0.164827808737755, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 76.0, 213.0, 0.596261382102966 0.596261382102966, 0.0, 0.125, 0.0, 0.0, 0.661472856998444 0.661472856998444, 0.0, 1.15470051765442, 0.0, 15.0588235855103, 0.0, 0.0, 0.678584933280945 0.678584933280945, 0.0, 8.16326522827148, 0.0, 0.0, 0.0, 0.0, 6.47933864593506, 0.102062076330185, 0.0, 2.0, 0.0, 0.0589255653321743, 9.0892391204834, 0.0320750139653683, 4.94866752624512, 0.0185185186564922, , 1.94416129589081, 0.331849694252014, 0.0, 3.33992052078247, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.11344957351685, 0.0, 0.0481125228106976, 0.0, 1.32482039928436, 0.0, 0.0, 0.0, 0.859748303890228, 0.0, 0.0, 0.0, 0.0, 0.396211087703705, 0.0, 106.620002746582, 0.125, 0.196899726986885, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.8178520202637, 2.0, 0.0, 19.3249225616455, 0.25, 0.0, 564.0, 0.0, 813.869079589844, 2.0, 0.0, 25.4269866943359, 0.0, 889.7373046875, 0.0, 0.0, 21.3249225616455, 0.0, 0.0, 0.0, 0.0, 0.0, 1095.99645996094, 21.0993919372559, 5.08746290206909, 19.0, 1047.97192382812, 0.0, 689.059997558594, 0.0, 919.112365722656, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 12.6733617782593, 0.0, 0.0, 0.5, 8.09222412109375, 0.0, 0.0, 0.0, 1.14982986450195, 0.0, 7.10056400299072, 1.0, 0.0, 8.56995296478271, 0.0, 4.54611206054688, 0.0833333358168602, 9.42196369171143, 0.0, 0.0, 3.31613230705261, 5.0, 0.0, 0.505027949810028, 0.0, 0.0, 0.0, 0.0, -0.423970252275467, 0.0, 2.74084258079529, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2, 0.0, 0.0 0.0, 0.0, -0.181732878088951, 4.0, 2.0, 0.0, 0.0 0.0, 0.0, 0.181732878088951, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 24.0, 36.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 4.16666650772095, 0.0, 0.0, 0.0 0.0, 0.0, 2.22222232818604, 0.0, 0.0, 0.0, 0.0, 1.33333337306976, 0.125, 0.0, 0.0, 0.0, 0.0, 3.6449236869812, 0.0416666679084301, 2.15470051765442, 0.0, , 0.0, 0.0, 0.0, 1.22474491596222, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.744016945362091, 0.0, 0.0, 0.0, 0.439826399087906, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 18.4599990844727, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.54893827438354, 0.0, 0.0, 7.32836771011353, 0.333333343267441, 0.0, 27.0, 0.0, 169.214233398438, 0.0, 0.0, 7.32836771011353, 0.0, 169.141845703125, 0.0, 0.0, 3.77446913719177, 0.0, 0.0, 0.0, 0.0, 0.0, 169.141845703125, 0.0, 3.58496260643005, 3.0, 84.6071166992188, 0.0, 166.020004272461, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.24264049530029, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.12132024765015, 0.0, 0.0, 3.30192732810974, 0.0, 1.5, 0.0, 0.0, 0.0, 0.0, 1.06066012382507, 0.0, 0.0, 0.363465756177902, 0.0, 0.0, 0.0, 0.0, -0.181732878088951, 0.0, 0.75, 0.0, 0.0, 0.0
-InChI%3D1S%2FCd.2ClH%2Fh%3B2%2A1H%2Fq%2B2%3B%3B%2Fp-2, 0.0, 0.0 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0 0.0, , 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, , 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 105.021179199219, 0.0, 0.0, 0.0, 0.0, 0.0, 3000000000.0, 0.0, 10.9792976379395, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.58496260643005, 0.0, 0.0, 0.0, 6.03000020980835, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.999000012874603, , 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H, , 1.04044008255005 1.04044008255005, 0.451184451580048, -0.0229502823203802, 0.0, , , 1.05473780632019 1.05473780632019, 0.235702261328697, -0.0154836475849152, , , 1.04044008255005 1.04044008255005, -0.00118250551167876, , 0.0, 0.666666686534882, , , , 40.0, 69.0, 0.189957499504089 0.189957499504089, , 0.5, , 0.0, 0.16965363919735 0.16965363919735, 0.0, 0.0, , 7.11111116409302, 0.0, , 0.12663833796978, 0.0, 3.23966932296753, 0.0, 0.0, , 0.0, 2.0, 0.102062076330185, 0.0, , 0.0, 0.0589255653321743, 4.65046167373657, 0.0320750139653683, 2.49943876266479, 0.0143443830311298, , 0.0, 0.111803397536278, 0.0, 1.59265899658203, 0.0, 0.0, , 0.0, , 0.0, 0.967012107372284, 0.0, 0.0124225998297334, , 0.549710214138031, 0.0, 0.0, , 0.312413334846497, , , , 0.0, 0.0692608058452606, , 45.8199996948242, 0.0, 0.0234242789447308, , 0.0, 0.0, 0.0, , 0.0, 10.9089260101318, 0.0, , 10.2731170654297, 0.0, , 88.0, 0.0, 326.585784912109, 0.0, 0.0, 12.7710237503052, 0.0, 350.343994140625, 0.0, 0.0, 10.660737991333, 0.0, , , , 0.0, 409.316162109375, 6.49455308914185, 4.16992521286011, 9.0, 301.99365234375, , 124.029998779297, 0.0, 126.101943969727, 1.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, , , , 0.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 6.69023466110229, , , 0.400000005960464, 4.30453062057495, 0.0, , , 0.5, , 3.6421070098877, 0.0, 0.0, 6.08364343643188, , 2.59263896942139, 0.16666667163372, 3.04182171821594, , , 1.80083346366882, 5.0, , 0.065277062356472, 0.0, 0.0, , , 0.00701689021661878, , 1.25044357776642, , , 
-InChI%3D1S%2FC6H12ClN3O3%2Fc1-5%2811%294-10%289-13%296%2812%298-3-2-7%2Fh5%2C11H%2C2-4H2%2C1H3%2C%28H%2C8%2C12%29, , 1.2831118106842 1.2831118106842, 0.434195280075073, 0.063002422451973, 3.0, 0.0, 1.0, 1.73998725414276 1.73998725414276, 0.227670907974243, -0.0110470522195101, , 0.0, 2.13864016532898 2.13864016532898, -0.148000985383987, , 0.0, 1.0, 0.0, 0.0, 0.0, 52.0, 144.0, 0.297833114862442 0.297833114862442, 0.0, 0.646330416202545, 0.0, 0.0, 0.323069870471954 0.323069870471954, 0.0, 0.0, 0.0, 13.0, 0.0, 0.0, 0.30470472574234 0.30470472574234, 0.0, 7.40816307067871, 0.0, 0.0, 0.0, 0.0, 6.12244892120361, 0.0, 0.0, 2.0, 0.0, 0.0, 7.97688007354736, 0.0, 4.23143148422241, 0.0, , 0.333333343267441, 0.298006236553192, 0.0, 2.76144790649414, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.27335560321808, 0.0, 0.0141421351581812, 0.0, 0.710170149803162, 1.0, 0.0, 0.0, 0.379287779331207, 0.0, 0.0, , 0.0, 0.136762395501137, 0.0, 85.4899978637695, 0.0, 0.0630376115441322, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 24.1161251068115, 0.0, 0.0, 16.1941165924072, 0.0, , 278.0, 0.0, 529.622985839844, 1.0, 0.0, 19.3010482788086, 0.685006737709045, 543.305541992188, 0.0, 0.0, 19.9023017883301, 0.0, 0.0, 0.0, 0.0, 1.0, 607.516662597656, 19.8262481689453, 4.70043992996216, 14.0, 573.628784179688, 0.0, 420.070007324219, 0.0, 512.704895019531, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, , 0.0, 0.333333343267441, 0.0, 0.0, 1.41421353816986, 1.0, 0.0, 10.2675848007202, 0.0, , 0.5, 6.11259078979492, 0.0, 0.0, 0.0, 0.810617208480835, 2.0, 4.91738939285278, 1.0, 0.0, 1.10520946979523, 0.0, 3.11628842353821, 0.117851130664349, 2.24957680702209, 0.0, 0.0, 2.16864395141602, 0.0, 0.0, 0.351063847541809, 0.0, 0.0, 0.0, 1.0, -0.189451888203621, 1.0, 1.47248339653015, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H16O2%2Fc1-11%282%2C3%299-7-8%2813-4%295-6-10%289%2912%2Fh5-7%2C12H%2C1-4H3, 0.0, 2.65264892578125 2.65264892578125, 1.25564312934875, 0.00214558676816523, 0.0, 1.0, 0.0, 3.95988988876343 3.95988988876343, 0.470452636480331, -0.00806083250790834, 0.0, 0.0, 4.96348094940186 4.96348094940186, -0.0683958679437637, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 64.0, 123.0, 1.38270115852356 1.38270115852356, 0.0, 0.0, 0.0, 0.0, 1.6175764799118 1.6175764799118, 0.0, 0.200000002980232, 0.0, 11.0769233703613, 0.0, 0.0, 1.60978507995605 1.60978507995605, 0.0, 4.02216053009033, 0.0, 1.0, 0.0, 0.0, 2.72108840942383, 0.0680413842201233, 0.0, 1.0, 0.0, 0.150174587965012, 8.5875129699707, 0.0240562614053488, 4.32401323318481, 0.0326073467731476, , 1.65096366405487, 1.4547598361969, 0.0, 4.13307952880859, 0.0, 1.65096366405487, 0.0, 0.25, 0.0, 0.0, 2.01173377037048, 0.0, 0.23514024913311, 0.0, 1.242844581604, 4.0, 0.0721687823534012, 0.0, 0.723123610019684, 0.0, 0.0, 0.0, 0.0, 0.359188348054886, 0.0, 29.4599990844727, 0.0, 0.131210476160049, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 14.5489377975464, 1.0, 0.0, 13.9962759017944, 0.0, 0.0, 234.0, 1.73205077648163, 746.8720703125, 0.0, 0.0, 20.3283672332764, 3.19853830337524, 840.706298828125, 1.0, 0.0, 19.6604595184326, 0.0, 0.0, 0.0, 0.0, 3.98679065704346, 1154.76623535156, 16.9925518035889, 4.70043992996216, 18.0, 1031.48071289062, 0.0, 685.02001953125, 2.67496132850647, 749.46240234375, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 10.0604782104492, 0.0, 0.0, 0.5, 5.9477071762085, 0.0, 0.0, 0.0, 1.92370295524597, 0.0, 6.03712844848633, 0.0, 0.288675129413605, 1.65096366405487, 0.0, 3.99413347244263, 0.436886727809906, 5.85380077362061, 0.0, 0.0, 2.98695182800293, 3.0, 0.0, 0.246565759181976, 0.117851130664349, 1.04004192352295, 0.0, 0.0, -0.116106778383255, 0.0, 2.12693095207214, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H10Br2O2%2Fc6-1-5%282-7%2C3-8%294-9%2Fh8-9H%2C1-4H2, 0.0, 2.12132024765015 2.12132024765015, 0.0, 0.0673163533210754, 4.0, 0.0, 0.0, 2.62132024765015 2.62132024765015, 0.0, -0.313291847705841, 0.0, 0.0, 0.0 0.0, 0.181322500109673, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 36.0, 48.0, 2.5574369430542 2.5574369430542, 0.0, 0.25, 0.0, 0.0, 3.27932834625244 3.27932834625244, 0.0, 0.0, 0.0, 9.0, 0.0, 0.0, 0.0 0.0, 0.0, 3.92000007629395, 0.0, 1.0, 0.0, 0.0, 2.0, 0.0, 0.0, 2.0, 0.0, 0.0, 8.15077590942383, 0.0, 4.82412958145142, 0.0, , 0.0, 0.70710676908493, 0.0, 3.20495796203613, 0.0, 0.0, 0.0, 0.125, 0.0, 0.0, 3.6167619228363, 0.0, 0.0, 0.0, 1.89259576797485, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 40.4599990844727, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 97.0651168823242, 0.0, 0.0, 19.9695358276367, 0.0, 0.0, 88.0, 0.0, 602.619079589844, 0.0, 0.0, 21.9695358276367, 0.0, 622.653137207031, 1.0, 0.0, 47.9086036682129, 0.0, 0.0, 0.0, 0.0, 0.0, 749.134826660156, 81.4804611206055, 4.16992521286011, 12.0, 653.450317382812, 0.0, 252.039993286133, 0.0, 225.708770751953, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.3284273147583, 2.0, 0.0, 0.5, 4.24264049530029, 0.0, 0.0, 0.0, 0.70710676908493, 0.0, 2.91421365737915, 0.0, 0.125, 3.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, 1.5, 0.0, 0.0, 0.238225370645523, 0.0, 4.0, 0.0, 0.0, -0.0544596798717976, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.0383092723786831, 2.0, 0.0, 0.0, 0.433012694120407 0.433012694120407, 0.0, -0.00447946460917592, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 26.0, 29.0, 0.212132036685944 0.212132036685944, 0.0, 0.0, 0.0, 0.0, 0.224999994039536 0.224999994039536, 0.0, 0.0, 0.0, 4.16666650772095, 0.0, 0.0, 0.0 0.0, 0.0, 1.63265311717987, 0.144337564706802, 0.0, 0.0, 0.0, 0.979591846466064, 0.144337564706802, 0.0559016987681389, 0.0, 0.0, 0.0, 4.20306777954102, 0.0750000029802322, 2.31420826911926, 0.0, , 0.0, 0.150000005960464, 0.0, 1.55571103096008, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.956023514270782, 0.0, 0.0, 0.0, 0.597213566303253, 0.0, 0.0, 0.0, 0.150000005960464, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 63.189998626709, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.847728729248, 0.0, 0.0, 8.33452606201172, 0.0, 0.0, 26.0, 0.0, 306.804779052734, 1.0, 0.0, 11.9192867279053, 0.0, 315.960357666016, 0.0, 0.0, 5.33957052230835, 0.0, 0.0, 0.0, 0.0, 0.0, 352.726928710938, 0.0, 3.58496260643005, 2.0, 90.0037307739258, 1.0, 114.029998779297, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 4.40577745437622, 0.0, 0.0, 0.333333343267441, 2.8938467502594, 0.0, 1.0, 0.0, 0.288675129413605, 1.0, 2.38962864875793, 0.0, 0.0, 1.0, 0.0, 1.64384686946869, 0.0, 1.0, 0.0, 0.0, 1.12993609905243, 0.0, 0.0, 0.155081227421761, 0.0, 0.0, 0.0, 0.0, -0.111370421946049, 0.0, 0.288675129413605, 0.0, 0.0, 0.0
-InChI%3D1S%2FC11H8N2O5%2Fc12-11%2814%298%289-2-1-5-17-9%296-7-3-4-10%2818-7%2913%2815%2916%2Fh1-6H%2C%28H2%2C12%2C14%29, , 2.81996774673462 2.81996774673462, 2.0730562210083, -0.0121598290279508, 0.0, 0.0, 0.0, 3.73039531707764 3.73039531707764, 1.26126754283905, 0.0113497218117118, , 0.0, 4.50892114639282 4.50892114639282, -0.0880708992481232, , 0.0, 0.800000011920929, 0.0, 0.0, 0.0, 90.0, 270.0, 0.611194312572479 0.611194312572479, 0.0, 0.595275402069092, 0.0, 0.0, 0.706646740436554 0.706646740436554, 0.0, 1.26253235340118, 0.0, 14.4099721908569, 0.0, 0.0, 0.619822919368744 0.619822919368744, 0.0, 6.43787002563477, 0.262188702821732, 0.0, 0.0, 0.0, 3.75, 0.234708055853844, 0.0733043998479843, 1.0, 0.0, 0.339345902204514, 8.99152183532715, 0.0544982254505157, 4.8538122177124, 0.0521887913346291, , 4.11402320861816, 0.345009863376617, 0.0, 3.31703281402588, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.12089276313782, 0.0, 0.0419318825006485, 0.0, 1.34816884994507, 0.0, 0.0, 0.0, 0.670200765132904, 0.0, 0.0, , 0.0, 0.358190029859543, 0.0, 116.180000305176, 0.0, 0.177748247981071, 0.0, 0.0, 1.0, 0.0, 0.0, 0.142857149243355, 22.592321395874, 0.0, 0.0, 22.0997619628906, 0.200000002980232, 0.0, 630.0, 0.0, 885.028503417969, 2.0, 0.0, 31.2025985717773, 0.0, 1019.95385742188, 0.0, 0.0, 26.5383224487305, 0.0, 0.0, 0.0, 0.0, 0.0, 1369.98657226562, 27.8153190612793, 5.16992521286011, 22.0, 1149.09899902344, 0.0, 423.070007324219, 0.0, 1116.689453125, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 1.0, 0.0, 1.0, 1.0, 0.0, , 2.0, 0.0, , 0.0, 0.0, 1.0, 0.0, 0.0, 6.0, 0.0, 13.1209554672241, 0.0, 0.0, 0.444444447755814, 8.5753870010376, 1.0, 0.0, 0.0, 1.34020686149597, 0.0, 7.87128496170044, 0.0, 0.0, 4.75505018234253, 0.0, 5.99172973632812, 0.370790809392929, 10.751633644104, 0.0, 0.0, 4.71259737014771, 5.0, 0.0, 0.514703989028931, 0.0, 0.0, 2.0, 2.0, -0.246210396289825, 0.0, 3.03443813323975, 0.0, 0.0, 0.0
-InChI%3D1S%2FC6H9NO%2Fc1-2-7-5-3-4-6%287%298%2Fh2H%2C1%2C3-5H2, 0.0, 1.06903564929962 1.06903564929962, 0.25, 0.0549030713737011, 3.0, 0.0, 0.0, 1.40829122066498 1.40829122066498, 0.0833333358168602, -0.0361551567912102, 0.0, 0.0, 0.735702276229858 0.735702276229858, -0.00230040540918708, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 36.0, 51.0, 0.35947185754776 0.35947185754776, 0.0, 0.0, 0.0, 0.0, 0.430451571941376 0.430451571941376, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.176353126764297 0.176353126764297, 0.0, 2.51999998092651, 0.117851130664349, 0.0, 0.0, 0.0, 1.25, 0.201184466481209, 0.079056940972805, 0.0, 0.0, 0.16666667163372, 4.76123905181885, 0.0779184103012085, 2.76395916938782, 0.0509087592363358, , 0.0, 0.155836820602417, 0.0, 1.87326037883759, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.33039021492004, 0.0, 0.0263523142784834, 0.0, 0.862038493156433, 0.0, 0.0, 0.0, 0.266030073165894, 0.0, 0.0, 0.0, 1.0, 0.0831836238503456, 0.0, 20.3099994659424, 0.0, 0.0131761571392417, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.13445663452148, 0.0, 0.0, 8.83064746856689, 0.0, 0.0, 61.0, 0.0, 352.418762207031, 1.0, 0.0, 11.3841133117676, 1.51967132091522, 379.096984863281, 0.0, 0.0, 7.99627590179443, 0.0, 0.0, 0.0, 0.0, 0.333333343267441, 461.468231201172, 3.33209204673767, 4.0, 7.0, 261.143829345703, 0.0, 233.020004272461, 0.0, 96.5602569580078, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 5.98312759399414, 0.0, 0.0, 0.5, 3.84253525733948, 1.0, 0.0, 0.0, 0.402368932962418, 0.0, 3.07651543617249, 0.0, 0.0, 3.30192732810974, 0.0, 2.56349611282349, 0.117851130664349, 2.37841415405273, 0.0, 0.0, 1.82872819900513, 0.0, 0.0, 0.183382913470268, 0.0, 0.0, 0.0, 1.0, -0.108138963580132, 1.0, 0.664557635784149, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2%2Fb2-1%2B, 0.0, 0.0 0.0, 0.0, 0.0113530382514, 1.0, 0.0, 2.0, 0.0 0.0, 0.0, -0.0365978591144085, 0.0, 0.0, 0.0 0.0, 0.0198230687528849, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 14.0, 24.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.12959432601929, 0.0, 2.19801902770996, 0.0, , 0.0, 0.0, 0.0, 1.0765768289566, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.534522473812103, 0.0, 0.0, 0.0, 0.303045749664307, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 20.4255065917969, 0.0, 0.0, 7.90347480773926, 0.0, 0.0, 20.0, 0.0, 206.063125610352, 0.0, 0.0, 6.90347480773926, 0.0, 174.897933959961, 0.0, 0.0, 5.90347480773926, 0.0, 0.0, 0.0, 0.0, 0.0, 125.042137145996, 8.71275329589844, 3.32192802429199, 2.0, 74.689338684082, 0.0, 44.0200004577637, 0.0, 28.1061096191406, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 4.12132024765015, 0.0, 0.0, 0.5, 2.41421365737915, 2.0, 0.0, 0.0, 0.0, 0.0, 1.35355341434479, 0.0, 0.0, 2.38110160827637, 0.0, 0.70710676908493, 0.0, 0.0, 0.0, 0.0, 0.353553384542465, 0.0, 0.0, 0.0772592276334763, 0.0, 0.0, 0.0, 0.0, -0.0332078598439693, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H7N3O2%2Fc1-2-6%285-8%293%284%297%2Fh2H2%2C1H3%2C%28H2%2C4%2C7%29, , 1.13807117938995 1.13807117938995, 0.0, 0.091437041759491, 1.0, 0.0, 0.0, 1.30473780632019 1.30473780632019, 0.0, -0.0823924243450165, , 0.0, 0.333333343267441 0.333333343267441, 0.0246710982173681, , 0.0, 1.0, 0.0, 0.0, 0.0, 30.0, 43.0, 0.224272325634956 0.224272325634956, 0.0, 0.25, 0.0, 0.0, 0.167673379182816 0.167673379182816, 0.0, 0.0, 0.0, 8.0, 0.0, 0.0, 0.0222663599997759 0.0222663599997759, 0.0, 3.9375, 0.0, 0.0, 0.0, 0.0, 2.8125, 0.0, 0.0, 1.0, 0.0, 0.0, 4.45699596405029, 0.0, 2.10312223434448, 0.0, , 0.0, 0.120710678398609, 0.0, 1.12101948261261, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.642584085464478, 0.0, 0.0158113874495029, , 0.246172472834587, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 76.75, 0.0, 0.0, 0.0, 0.333333343267441, 0.0, 0.0, 0.0, 0.5, 10.6289024353027, 0.0, 0.0, 8.74410152435303, 0.0, , 67.0, 0.0, 233.688842773438, 1.0, 0.0, 10.5189418792725, 1.0, 231.192886352539, 0.0, 0.0, 10.2421007156372, 0.0, 0.0, 0.0, , 0.333333343267441, 247.551254272461, 7.15830421447754, 4.0, 8.0, 202.46337890625, 0.0, 140.050003051758, 0.0, 92.8191223144531, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, , , 2.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 6.56891393661499, , , 0.5, 3.71874403953552, 0.0, 0.0, 0.0, 0.5, 1.0, 2.8205931186676, 0.0, 0.0, 0.0, 0.0, 1.99156379699707, 0.16666667163372, 0.5, 0.0, 0.0, 1.23148417472839, 0.0, 0.0, 0.157892808318138, 0.0, 0.0, 0.0, 1.0, -0.112662121653557, 1.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H9N3O%2Fc8-6-7-3-1-5-2-4-7%2Fh5H%2C1-4H2, , 0.492799282073975 0.492799282073975, 0.348461717367172, -0.030154749751091, 4.0, 0.0, , 0.594861328601837 0.594861328601837, 0.144337564706802, 0.0311528146266937, , 0.0, 0.492799282073975 0.492799282073975, -0.0345791764557362, , 0.0, 0.666666686534882, 0.0, 0.0, 0.0, 34.0, 60.0, 0.182246178388596 0.182246178388596, , 0.0, , 0.0, 0.178445711731911 0.178445711731911, 0.0, 0.0, 0.0, 6.125, 0.0, 0.0, 0.128867506980896 0.128867506980896, 0.0, 3.11111116409302, 0.0, 0.0, 0.0, 0.0, 1.79999995231628, 0.102062076330185, 0.0, 0.0, 0.0, 0.0721687823534012, 4.63110256195068, 0.0559016987681389, 2.72213649749756, 0.025000000372529, , 0.0, 0.100000001490116, 0.0, 1.78531277179718, 0.0, 0.0, , 0.0, , 0.0, 1.20885801315308, 0.0, 0.0, , 0.734680831432343, 0.0, 0.0, 0.0, 0.446945697069168, , , , 0.0, 0.0788675099611282, , 44.7000007629395, 0.0, 0.020412415266037, , 0.0, 0.0, 0.0, , 0.0, 9.85443305969238, 0.0, , 9.5781946182251, 0.0, , 64.0, 0.0, 299.339477539062, 0.0, 0.0, 10.5505771636963, 0.0, 315.014465332031, 0.0, 0.0, 8.35654258728027, 0.0, 0.0, 0.0, , 0.0, 353.282562255859, 4.02417182922363, 4.0, 7.0, 239.568893432617, 0.0, 233.039993286133, 0.0, 72.6786575317383, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , , 0.25, 0.0, 0.0, 1.15470051765442, 0.0, 0.0, 5.81999111175537, , , 0.400000005960464, 3.9318516254425, 0.0, 1.0, 0.0, 0.20412415266037, 1.0, 2.91228413581848, 0.0, 0.0, 3.30192732810974, , 2.30209517478943, 0.0, 0.0, 0.0, , 1.59538793563843, 0.0, 0.0, 0.134822562336922, 0.0, 0.0, 0.0, 1.0, -0.061790119856596, 1.0, 1.10517168045044, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H12F6N2O%2Fc9-7%2810%2C11%293-1-5-16%2815-17%296-2-4-8%2812%2C13%2914%2Fh1-6H2, , 1.99279928207397 1.99279928207397, 1.18459379673004, 0.136004030704498, 6.0, 0.0, 0.0, 2.15552163124084 2.15552163124084, 0.811367690563202, 0.00148752145469189, , 0.0, 1.41644966602325 1.41644966602325, -0.1936144977808, , 0.0, 1.0, 0.0, 0.0, 0.0, 76.0, 250.0, 0.396531909704208 0.396531909704208, 0.0, 0.0, 0.0, 0.0, 0.386255383491516 0.386255383491516, 0.0, 0.0, 0.0, 17.0, 0.0, 0.0, 0.248388692736626 0.248388692736626, 0.0, 7.43801641464233, 0.0, 0.0, 0.0, 0.0, 12.25, 0.0, 0.0, 0.0, 0.0, 0.0, 8.81310272216797, 0.0, 4.85602998733521, 0.0, , 0.0, 0.457040697336197, 0.0, 3.47277474403381, 0.0, 0.0, 0.0, 0.0381801761686802, 0.0, 0.0, 1.86842572689056, 0.0, 0.0, , 1.11748695373535, 0.0, 0.0, 0.0, 0.577647268772125, 0.0, 0.0, , 0.0, 0.370777666568756, 0.0, 32.6699981689453, 0.0, 0.178276523947716, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 27.5067100524902, 0.0, 0.0, 20.736536026001, 0.0, , 638.0, 0.0, 496.886291503906, 0.0, 0.0, 35.7211837768555, 0.0, 522.906555175781, 2.0, 0.0, 20.8196353912354, 0.0, 0.0, 0.0, , 0.0, 610.826477050781, 19.8196353912354, 5.08746290206909, 16.0, 533.881530761719, 0.0, 512.090026855469, 0.0, 474.558898925781, 0.0, 0.0, 0.0, 0.0, 0.0, 0.125, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 4.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 1.0, 4.0, 0.0, 13.5270977020264, , , 0.5, 7.63895845413208, 0.0, 0.0, 0.0, 3.32544445991516, 1.0, 8.18005084991455, 0.0, 0.70710676908493, 6.12046384811401, 0.0, 3.65564846992493, 0.0, 0.0, 0.0, 0.0, 2.39472055435181, 0.0, 0.0, 0.571073532104492, 0.0, 3.65134453773499, 0.0, 1.0, -0.34615957736969, 1.0, 1.39384686946869, 0.0, 6.0, 0.0
-InChI%3D1S%2FC19H28O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh3%2C13-16%2C20H%2C4-11H2%2C1-2H3%2Ft13-%2C14%3F%2C15-%2C16-%2C18%3F%2C19%3F%2Fm0%2Fs1, 0.0, 6.45369958877563 6.45369958877563, 4.87597322463989, -0.05238301679492, 8.0, 0.0, 0.0, 10.4766407012939 10.4766407012939, 3.67226314544678, 0.00141182879451662, 0.0, 0.0, 14.9557294845581 14.9557294845581, 0.0124663915485144, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 126.0, 349.0, 4.98863506317139 4.98863506317139, 0.0, 0.100000001490116, 0.0, 0.0, 8.20141792297363 8.20141792297363, 0.0, 0.0, 0.0, 14.5833330154419, 0.0, 0.0, 11.168438911438 11.168438911438, 0.0, 4.74687719345093, 0.0833333358168602, 2.0, 0.0, 0.0, 1.92627823352814, 0.428855359554291, 0.0721687823534012, 1.0, 0.0, 0.974374115467072, 13.3990678787231, 0.327493518590927, 8.85871887207031, 0.701946496963501, , 5.02609777450562, 1.92971622943878, 0.0, 8.57398891448975, 0.0, 5.28213405609131, 0.0, 0.20412415266037, 0.0, 0.0, 7.78690433502197, 0.0, 0.758997678756714, 0.0, 6.41274881362915, 2.0, 0.154462784528732, 0.0, 5.09541463851929, 0.0, 0.0, 0.0, 0.0, 3.68565773963928, 0.0, 37.2999992370605, 0.0, 2.63753008842468, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 22.5489387512207, 3.0, 0.0, 24.6641845703125, 0.0, 0.0, 802.0, 0.16666667163372, 1894.33947753906, 2.0, 0.0, 40.328369140625, 4.76332139968872, 2376.10424804688, 2.0, 0.0, 45.9925537109375, 0.0, 0.0, 0.0, 0.0, 3.49827003479004, 3779.72119140625, 35.328369140625, 5.39231729507446, 44.0, 3986.35327148438, 0.0, 2284.02001953125, 1.78885436058044, 3019.96655273438, 0.0, 0.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 9.0, 0.0, 14.8280630111694, 0.0, 0.0, 0.5, 9.9491605758667, 1.0, 0.0, 0.0, 2.39445400238037, 0.0, 10.0593738555908, 4.0, 0.235702261328697, 10.5026302337646, 0.0, 9.40202808380127, 1.08504247665405, 19.4902648925781, 0.0, 0.0, 7.73521757125854, 0.0, 0.0, 0.201166540384293, 0.23848395049572, 6.72457647323608, 0.0, 1.0, -0.0481378734111786, 0.0, 6.53445720672607, 0.0, 0.0, 0.0
-InChI%3D1S%2FC18H20O2%2Fc1-3-17%2813-5-9-15%2819%2910-6-13%2918%284-2%2914-7-11-16%2820%2912-8-14%2Fh5-12%2C19-20H%2C3-4H2%2C1-2H3, 0.0, 2.7227041721344 2.7227041721344, 2.51379179954529, -0.0264992564916611, 2.0, 0.0, 0.0, 4.2030177116394 4.2030177116394, 1.64876699447632, -0.00640427460893989, 0.0, 0.0, 5.70888519287109 5.70888519287109, -0.0265779197216034, 0.0, 0.0, 0.833333313465118, 0.0, 0.0, 0.0, 98.0, 340.0, 1.16005635261536 1.16005635261536, 0.0, 0.0909090936183929, 0.0, 0.0, 1.74711382389069 1.74711382389069, 0.0, 0.0, 0.0, 16.3718814849854, 0.0, 0.0, 2.00142669677734 2.00142669677734, 0.0, 7.85204076766968, 0.0, 0.0, 0.0, 0.0, 4.25, 0.16666667163372, 0.0, 2.0, 0.0, 0.262891709804535, 11.9274425506592, 0.0555555559694767, 6.96126842498779, 0.0526229776442051, , 5.00828838348389, 0.492514550685883, 0.0, 4.75796175003052, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.50291633605957, 0.0, 0.090175561606884, 0.0, 2.50871586799622, 2.0, 0.0, 0.0, 1.6406888961792, 0.0, 0.0, 0.0, 0.0, 0.743891835212708, 0.0, 40.4599990844727, 0.0, 0.425686538219452, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 21.5489387512207, 2.0, 0.0, 21.6641845703125, 0.0, 0.0, 814.0, 0.200000002980232, 1395.02160644531, 2.0, 0.0, 29.3283672332764, 4.84388399124146, 1598.05151367188, 0.0, 0.0, 31.3283672332764, 0.0, 0.0, 0.0, 0.0, 3.15561699867249, 2143.703125, 28.6641845703125, 5.32192802429199, 30.0, 2271.841796875, 0.0, 1301.02001953125, 0.0, 2004.98266601562, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 14.5351696014404, 0.0, 0.0, 0.454545468091965, 9.65139675140381, 0.0, 0.0, 0.0, 1.18284916877747, 0.0, 8.18410968780518, 0.0, 0.0, 12.1977014541626, 0.0, 6.82477712631226, 0.191638320684433, 21.1690063476562, 0.0, 0.0, 5.39936637878418, 8.0, 0.0, 0.158259928226471, 0.0, 0.0, 0.0, 0.0, -0.04741171002388, 0.0, 4.36243915557861, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2, 0.0, 0.40824830532074 0.40824830532074, 0.0, -0.00440725963562727, 0.0, 0.0, 1.0, 0.0 0.0, 0.0, -0.000162440846906975, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.163663417100906 0.163663417100906, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.62545728683472, 0.0, 1.61742353439331, 0.0, , 0.0, 0.231455028057098, 0.0, 1.13646697998047, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.375792592763901, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.7127532958984, 0.0, 0.0, 5.95173740386963, 0.0, 0.0, 18.0, 0.333333343267441, 209.404479980469, 1.0, 0.0, 7.90347480773926, 1.41421353816986, 185.763259887695, 0.0, 0.0, 3.95173740386963, 0.0, 0.0, 0.0, 0.0, 1.41421353816986, 159.014999389648, 0.0, 3.32192802429199, 2.0, 63.688159942627, 0.0, 61.0099983215332, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 1.0, 0.0, 0.0, 0.40824830532074, 0.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.025400809943676, 0.0, 0.0, 0.0, 0.0, -0.0081307040527463, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC24H38O4%2Fc1-5-9-13-19%287-3%2917-27-23%2825%2921-15-11-12-16-22%2821%2924%2826%2928-18-20%288-4%2914-10-6-2%2Fh11-12%2C15-16%2C19-20H%2C5-10%2C13-14%2C17-18H2%2C1-4H3, 0.0, 2.93108129501343 2.93108129501343, 2.94688487052917, 0.176267266273499, 10.0, 2.0, 0.0, 4.20715475082397 4.20715475082397, 1.70861983299255, -0.079048827290535, 0.0, 0.0, 5.50676584243774 5.50676584243774, -0.295006543397903, 0.0, 0.0, 0.888888895511627, 0.0, 0.0, 0.0, 124.0, 690.0, 1.36898148059845 1.36898148059845, 0.0, 0.200000002980232, 0.0, 0.0, 1.51242673397064 1.51242673397064, 0.0, 1.26491105556488, 0.0, 26.0357151031494, 0.0, 0.0, 1.42923772335052 1.42923772335052, 0.0, 15.7889270782471, 0.0, 0.0, 0.0, 0.0, 10.053539276123, 0.0833333358168602, 0.0, 0.0, 0.0, 0.0962250456213951, 18.1681632995605, 0.0277777779847383, 10.9991140365601, 0.0277777779847383, , 5.00828838348389, 0.635919213294983, 0.0, 7.57551145553589, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.35370397567749, 0.0, 0.0448895953595638, 0.0, 3.17791032791138, 4.0, 0.0, 0.0, 2.07339024543762, 0.0, 0.0, 0.0, 0.0, 1.06930863857269, 0.0, 52.5999984741211, 0.0, 0.457961708307266, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 31.0978755950928, 4.0, 0.0, 29.9925518035889, 0.200000002980232, 0.0, 2388.0, 0.544508993625641, 1593.48608398438, 2.0, 0.0, 37.5414886474609, 8.30852031707764, 1729.32397460938, 0.0, 0.0, 42.6492881774902, 0.0, 0.0, 0.0, 0.0, 3.53208184242249, 2116.28857421875, 43.9776573181152, 5.80735492706299, 38.0, 2239.41625976562, 0.0, 3600.0400390625, 0.0, 2128.32373046875, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 6.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.0, 0.0, 20.777811050415, 0.0, 0.0, 0.470588237047195, 13.5656108856201, 0.0, 0.0, 0.0, 1.15181839466095, 0.0, 10.5544385910034, 2.0, 0.0, 16.3074645996094, 0.0, 8.48372745513916, 0.248005643486977, 19.6782150268555, 0.0, 0.0, 6.11735105514526, 4.0, 0.0, 0.536179184913635, 0.0, 0.0, 0.0, 2.0, -0.325496315956116, 0.0, 4.73459577560425, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H5N3O9%2Fc7-4%288%2913-1-3%2815-6%2811%2912%292-14-5%289%2910%2Fh3H%2C1-2H2, 0.0, 1.21957874298096 1.21957874298096, 0.925776898860931, 0.141419127583504, 2.0, 3.0, 0.0, 1.33776438236237 1.33776438236237, 0.736781120300293, 0.00772737246006727, 0.0, 0.0, 1.70570075511932 1.70570075511932, -0.194886401295662, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 62.0, 172.0, 0.209531024098396 0.209531024098396, 0.0, 2.65669870376587, 0.0, 0.0, 0.198431700468063 0.198431700468063, 0.0, 4.69194936752319, 0.0, 15.0, 0.0, 0.0, 0.153724387288094 0.153724387288094, 0.56462162733078, 8.18685150146484, 0.0, 0.0, 0.0, 0.0, 10.2857141494751, 0.0, 0.0, 0.0, 0.0, 0.0, 7.00743913650513, 0.0, 3.27271676063538, 0.0, , 0.0, 0.209138229489326, 0.0, 1.98977029323578, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.966812252998352, 0.0, 0.0, 0.0, 0.51867014169693, 0.0, 0.0, 0.0, 0.255696803331375, 0.0, 0.0, 0.0, 0.0, 0.0892033651471138, 0.0, 165.149993896484, 0.0, 0.0338578522205353, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.0501861572266, 0.0, 0.0, 19.9774703979492, 0.908560276031494, 0.0, 424.0, 0.0, 314.39013671875, 0.0, 0.0, 25.7971458435059, 0.0, 331.524932861328, 0.0, 0.0, 18.8704147338867, 0.0, 0.0, 0.0, 0.0, 0.0, 379.246215820312, 20.9774398803711, 4.90689039230347, 14.0, 346.561798095703, 0.0, 151.119995117188, 0.0, 320.957824707031, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 11.8449354171753, 0.0, 0.0, 0.5, 6.9135913848877, 0.0, 0.0, 0.0, 1.42886900901794, 0.0, 6.43796873092651, 1.0, 0.0, 0.5, 0.0, 3.10926818847656, 0.0, 2.0, 0.0, 0.0, 2.18477773666382, 0.0, 0.0, 0.397429376840591, 0.0, 0.0, 0.0, 6.0, -0.230479955673218, 0.0, 1.71696293354034, 0.0, 0.0, 0.0
-InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3, , 0.492799282073975 0.492799282073975, 0.348461717367172, 0.0, 1.0, , , 0.594861328601837 0.594861328601837, 0.144337564706802, 0.0, , , 0.492799282073975 0.492799282073975, 0.0, , 0.0, 0.666666686534882, , , , 34.0, 60.0, 0.253933906555176 0.253933906555176, , 0.0, , 0.0, 0.253933906555176 0.253933906555176, 0.0, 0.0, , 6.125, 0.0, , 0.169289261102676, 0.0, 3.11111116409302, 0.0, 0.0, , 0.0, 1.79999995231628, 0.102062076330185, 0.0, , 0.0, 0.0721687823534012, 5.09385824203491, 0.0320750139653683, 2.97134375572205, 0.0226804614067078, , 0.0, 0.117851130664349, 0.0, 1.83915197849274, 0.0, 0.0, , 0.0, , 0.0, 1.25107300281525, 0.0, 0.0, , 0.713712811470032, 1.0, 0.0, , 0.407100260257721, , , , 0.0, 0.123928338289261, , 0.0, 0.0, 0.0453609228134155, , 0.0, 0.0, 0.0, , 0.0, 8.0, 1.0, , 8.0, 0.0, , 64.0, 0.0, 380.579162597656, 0.0, 0.0, 9.0, 2.00414514541626, 395.764465332031, 0.0, 0.0, 7.0, 0.0, , , , 0.5, 444.308013916016, 3.0, 4.0, 7.0, 321.839263916016, , 268.0, 0.0, 118.681030273438, 1.0, , , 0.0, , 0.0, 0.0, , 0.0, , , 0.0, , , , 1.0, 0.0, , , 0.0, 0.0, , 0.0, 6.0, , 5.81999111175537, , , 0.400000005960464, 3.9318516254425, 0.0, , , 0.20412415266037, , 2.91228413581848, 0.0, 0.0, 7.73231601715088, , 2.30209517478943, 0.0, 3.96540641784668, , , 1.59538793563843, 5.0, , 0.0, 0.0, 0.0, , , 0.0, , 1.10517168045044, , , 0.0
-InChI%3D1S%2FC18H14N4O7S.Na%2Fc23-21%2824%2914-7-9-15%2817%2811-14%2922%2825%2926%2920-13-6-8-16%2818%2810-13%2930%2827%2C28%2929%2919-12-4-2-1-3-5-12%3B%2Fh1-11%2C19-20H%2C%28H%2C27%2C28%2C29%29%3B%2Fq%3B%2B1%2Fp-1, 0.0, 5.32076215744019 5.32076215744019, 4.68100070953369, -0.0138636212795973, 0.0, 0.0, 0.0, 7.57592582702637 7.57592582702637, 3.2804319858551, -0.179786592721939, 0.0, 0.0, 10.6086912155151 10.6086912155151, -0.0402004085481167, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 156.0, -424509504.0, 1.35934495925903 1.35934495925903, 0.0, 3.40521645545959, 1.0, 0.0, 1.66429841518402 1.66429841518402, 0.0, 0.0, 0.0, 27.24609375, 0.0, 0.0, 1.8750411272049 1.8750411272049, 0.25, 11.9234399795532, 0.0, 0.0, 0.0, 0.0, 7.5, 0.23814482986927, 0.0, 0.0, 0.0, 0.329094469547272, 15.0618801116943, 0.0801875367760658, 8.70580863952637, 0.0944978967308998, , 5.76800155639648, 0.722040891647339, 0.0, 6.28832721710205, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.27344369888306, 0.0, 0.0988037958741188, 0.0, 2.85735392570496, 0.0, 0.0, 0.0, 1.94196903705597, 0.0, 0.0, 0.0, 0.0, 1.01347720623016, 0.0, 181.279998779297, 0.0, 0.597536385059357, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 46.652774810791, 0.0, 0.0, 44.5499572753906, 0.0, 0.0, 30000003072.0, 0.0, 2002.31872558594, 0.0, 0.0, 57.5307807922363, 0.0, 2348.369140625, 0.0, 0.0, 59.4565315246582, 0.0, 0.0, 0.0, 0.0, 0.0, 3312.822265625, 60.392936706543, 5.95419645309448, 47.0, 3391.61254882812, 0.0, 1095.13000488281, 0.0, 3152.51123046875, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.200000002980232, 0.0, 0.0, 0.679617702960968, 18.0, 0.0, 21.8885402679443, 0.0, 0.0, 0.999000012874603, 14.1468858718872, 0.0, 2.0, 0.0, 3.19487428665161, 0.0, 13.8722171783447, 0.0, 0.288675129413605, 12.0717220306396, 0.0, 10.0990676879883, 0.783269762992859, 19.1076068878174, 0.0, 0.0, 8.17313480377197, 11.0, 0.0, 0.522775650024414, 0.117851130664349, 0.0, 0.0, 6.0, -0.136044561862946, 0.0, 6.82468318939209, 0.0, 0.0, 0.0
-InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh1%2C3H2%2C2H3, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.00625614169985056, 1.0, 0.0, 1.0, 0.0 0.0, 0.0, -0.00325831468217075, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.283473342657089 0.283473342657089, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.0481071472168, 0.0, 2.00889039039612, 0.0, , 0.0, 0.25, 0.0, 1.35799860954285, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.684365212917328, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 12.7127532958984, 0.0, 0.0, 5.95173740386963, 0.0, 0.0, 18.0, 0.5, 201.709381103516, 1.0, 0.0, 5.95173740386963, 1.0, 177.395156860352, 0.0, 0.0, 5.90347480773926, 0.0, 0.0, 0.0, 0.0, 2.0, 155.535827636719, 0.0, 3.32192802429199, 2.0, 61.1233901977539, 0.0, 101.01000213623, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 0.0, 0.0, 0.0, 0.40824830532074, 0.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0495115518569946, 0.0, 0.0, 0.0, 0.0, -0.0277536027133465, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC2H5NO2%2Fc1-5-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29, 0.0, 0.40824830532074 0.40824830532074, 0.0, 0.142307981848717, 0.0, 1.0, 0.0, 0.0 0.0, 0.0, -0.0428490415215492, 0.0, 0.0, 0.0 0.0, 0.0, 0.0, 0.0, 0.5, 0.0, 0.0, 0.0, 16.0, 19.0, 0.0456435456871986 0.0456435456871986, 0.0, 0.0, 0.0, 0.0, 0.0 0.0, 0.0, 0.5, 0.0, 5.0, 0.0, 0.0, 0.0 0.0, 0.0, 2.25, 0.0, 0.0, 0.0, 0.0, 4.0, 0.0, 0.0, 1.0, 0.0, 0.0, 2.85546183586121, 0.0, 1.08597922325134, 0.0, , 0.0, 0.0456435456871986, 0.0, 0.509276688098907, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.193349167704582, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 53.310001373291, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.90892601013184, 0.0, 0.0, 5.16246128082275, 0.0, 0.0, 18.0, 0.0, 93.8053283691406, 1.0, 0.0, 5.88140106201172, 0.0, 81.2131805419922, 0.0, 0.0, 2.49827718734741, 0.0, 0.0, 0.0, 0.0, 0.5, 72.0409851074219, 0.0, 3.32192802429199, 2.0, 31.8128147125244, 0.0, 61.0299987792969, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.28445720672607, 0.0, 0.0, 0.333333343267441, 2.27005553245544, 0.0, 0.0, 0.0, 0.40824830532074, 0.0, 1.80209517478943, 0.0, 0.0, 0.0, 0.0, 0.816496610641479, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.259615421295166, 0.0, 0.0, 0.0, 0.0, -0.229266658425331, 0.0, 0.0, 0.0, 0.0, 0.0
-InChI%3D1S%2FC15H32N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-14-15-17%282%2916-18%2Fh3-15H2%2C1-2H3, 0.0, 0.492799282073975 0.492799282073975, 1.09218013286591, 0.0339780114591122, 13.0, 0.0, 0.0, 0.348461717367172 0.348461717367172, 0.709787964820862, -0.0256960652768612, 0.0, 0.0, 0.246399641036987 0.246399641036987, -0.00233474373817444, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 68.0, 413.0, 0.157735019922256 0.157735019922256, 0.0, 0.0, 0.0, 0.0, 0.111535504460335 0.111535504460335, 0.0, 0.0, 0.0, 18.0, 0.0, 0.0, 0.0788675099611282 0.0788675099611282, 0.0, 15.0588235855103, 0.0, 0.0, 0.0, 0.0, 15.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.4950637817383, 0.0, 7.85312223434448, 0.0, , 0.0, 0.141421362757683, 0.0, 5.35199308395386, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.47465872764587, 0.0, 0.0, 0.0, 2.22244310379028, 2.0, 0.0, 0.0, 1.44650459289551, 0.0, 0.0, 0.0, 0.0, 0.934444844722748, 0.0, 32.6699981689453, 0.0, 0.598252296447754, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.4944458007812, 0.0, 0.0, 18.2458248138428, 0.0, 0.0, 941.0, 0.0666666701436043, 848.897766113281, 0.0, 0.0, 18.0520210266113, 4.14462566375732, 834.167785644531, 0.0, 0.0, 16.9965553283691, 0.0, 0.0, 0.0, 0.0, 0.0, 822.486511230469, 14.6644620895386, 5.16992521286011, 16.0, 763.073791503906, 0.0, 2095.03002929688, 0.0, 691.538146972656, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 12.0, 0.0, 13.4768447875977, 0.0, 0.0, 0.5, 8.80806064605713, 0.0, 0.0, 0.0, 0.288675129413605, 1.0, 6.1911826133728, 0.0, 0.0, 21.215217590332, 0.0, 4.24740028381348, 0.0, 0.0, 0.0, 0.0, 2.53791379928589, 0.0, 0.0, 0.0618683211505413, 0.0, 0.0, 0.0, 1.0, -0.0366798937320709, 1.0, 1.66957592964172, 0.0, 0.0, 0.0
-InChI%3D1S%2FC13H16N4O6.ClH%2Fc18-13-16%2814-7-10-1-2-12%2822-10%2917%2819%2920%299-11%2823-13%298-15-3-5-21-6-4-15%3B%2Fh1-2%2C7%2C11H%2C3-6%2C8-9H2%3B1H%2Fb14-7-%3B%2Ft11-%3B%2Fm0.%2Fs1, 0.0, 3.15342998504639 3.15342998504639, 3.01796126365662, -0.192745238542557, 6.0, 2.0, 0.0, 4.24204921722412 4.24204921722412, 2.00903558731079, 0.475537300109863, 0.0, 0.0, 4.77639818191528 4.77639818191528, -0.177909776568413, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 118.0, -1539607552.0, 0.923427939414978 0.923427939414978, 0.0, 0.550321221351624, 0.0, 0.0, 1.1531366109848 1.1531366109848, 0.0, 1.44948661327362, 0.0, 20.3136005401611, 0.0, 0.0, 1.04165661334991 1.04165661334991, 0.482744693756104, 9.62975788116455, 0.214076176285744, 0.0, 0.0, 0.0, 5.7619047164917, 0.485744595527649, 0.071288488805294, 0.0, 0.0, 0.586881160736084, 13.5151309967041, 0.138733416795731, 7.1808762550354, 0.113020822405815, , 1.55034387111664, 0.541957318782806, 0.0, 5.17853832244873, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.53724527359009, 0.0, 0.0205692183226347, 0.0, 2.40542578697205, 0.0, 0.0, 0.0, 1.44998145103455, 0.0, 0.0, 0.0, 0.0, 0.729140222072601, 0.0, 113.330001831055, 0.0, 0.441610813140869, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 37.7995185852051, 0.0, 0.0, 29.9548606872559, 0.408528983592987, 0.0, 23000000512.0, 0.0, 1129.59497070312, 1.0, 0.0, 41.6938323974609, 0.0, 1290.88732910156, 0.0, 0.0, 35.807933807373, 0.0, 0.0, 0.0, 0.0, 0.0, 1724.99304199219, 30.2314853668213, 5.58496236801147, 29.0, 1437.21264648438, 0.0, 1212.10998535156, 0.0, 1259.67846679688, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0, , 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.02598559856415, 4.0, 0.0, 16.2338409423828, 0.0, 0.0, 0.999000012874603, 11.1141939163208, 1.0, 0.0, 0.0, 1.51474142074585, 1.0, 10.0750560760498, 1.0, 0.0, 8.43766212463379, 0.0, 8.00765419006348, 0.284517794847488, 8.80964183807373, 0.0, 0.0, 6.3950834274292, 2.0, 0.0, 0.909408450126648, 0.0, 0.0, 1.0, 3.0, -0.510808706283569, 2.0, 4.59691095352173, 0.0, 0.0, 0.0
-InChI%3D1S%2FC17H22N2O.C4H6O4%2Fc1-17%2820-14-13-19%282%293%2C15-9-5-4-6-10-15%2916-11-7-8-12-18-16%3B5-3%286%291-2-4%287%298%2Fh4-12H%2C13-14H2%2C1-3H3%3B1-2H2%2C%28H%2C5%2C6%29%28H%2C7%2C8%29, 0.0, 3.68783617019653 3.68783617019653, 2.37833142280579, -0.0503899678587914, 4.0, 1.0, 0.0, 5.15312194824219 5.15312194824219, 1.67757701873779, 0.23035691678524, 0.0, 0.0, 6.85834503173828 6.85834503173828, -0.381993293762207, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 128.0, 165425088.0, 1.55431246757507 1.55431246757507, 0.0, 1.62865054607391, 0.0, 0.0, 1.80225241184235 1.80225241184235, 0.0, 3.99999988687227e-09, 0.0, 26.0357151031494, 0.0, 0.0, 1.87426030635834 1.87426030635834, 0.0, 14.0833330154419, 0.0, 0.0, 0.0, 0.0, 10.5625, 0.20412415266037, 0.0, 2.0, 0.0, 0.102062076330185, 16.538179397583, 0.0569202154874802, 8.94718742370605, 0.0284601077437401, , 4.45101841251017e-06, 0.973365426063538, 0.0, 6.55346632003784, 0.0, 0.000126491111586802, 0.0, 0.0510310381650925, 0.0, 0.0, 3.96029472351074, 0.0, 0.164501041173935, 0.0, 2.35251593589783, 3.0, 0.0301865022629499, 0.0, 1.43974387645721, 0.0, 0.0, 0.0, 0.0, 0.753823935985565, 0.0, 99.9599990844727, 0.0, 0.417979627847672, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 32.5923194885254, 2.0, 0.0, 30.8234786987305, 0.0, 0.0, 160000000000.0, 0.721124768257141, 1497.40551757812, 2.0, 0.0, 40.8704147338867, 0.390338510274887, 1672.10925292969, 1.0, 0.0, 37.9301300048828, 0.0, 0.0, 0.0, 0.0, 0.000186048346222378, 2198.16455078125, 35.9856605529785, 5.80735492706299, 34.0, 2200.87426757812, 0.0, 2380.07006835938, 1.02598559856415, 1956.80200195312, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 0.0, 0.0, , 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.16666667163372, 11.0, 0.0, 20.9933528900146, 0.0, 0.0, 0.999000012874603, 13.2527437210083, 0.0, 0.0, 0.0, 2.20618605613708, 0.0, 11.8268060684204, 0.0, 0.117851130664349, 0.0, 0.0, 7.89388847351074, 0.488641947507858, 0.00104879192076623, 1.0, 0.0, 5.82356882095337, 9.0, 0.0, 0.718974471092224, 0.117851130664349, 0.229387924075127, 0.0, 2.0, -0.344007015228271, 1.0, 4.58550453186035, 0.0, 0.0, 0.0
-InChI%3D1S%2FC3H5N3O%2Fc1-2-6%283-4%295-7%2Fh2H2%2C1H3, , 0.61237245798111 0.61237245798111, 0.0, 0.059097658842802, 1.0, 0.0, 0.0, 0.61237245798111 0.61237245798111, 0.0, -0.0777772441506386, , 0.0, 0.0 0.0, 0.0226941145956516, , 0.0, 1.0, 0.0, 0.0, 0.0, 24.0, 36.0, 0.131200969219208 0.131200969219208, 0.0, 0.0, 0.0, 0.0, 0.0734002366662025 0.0734002366662025, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 0.0 0.0, 0.0, 4.16666650772095, 0.0, 0.0, 0.0, 0.0, 2.66666674613953, 0.0, 0.0, 0.0, 1.0, 0.0, 3.95699596405029, 0.0, 1.85312235355377, 0.0, , 0.0, 0.0707106813788414, 0.0, 0.897412657737732, 0.0, 0.0, , 0.0, 0.0, 0.0, 0.513527154922485, 0.0, 0.0, , 0.146703124046326, 1.0, 0.0, 0.0, 0.0, , , , 0.0, 0.0, 0.0, 56.4599990844727, 0.0, 0.0, , 0.333333343267441, 0.0, 0.0, , 0.5, 8.85443305969238, 0.0, 0.0, 7.41200971603394, 0.0, , 48.0, 0.0, 169.15576171875, 0.0, 0.0, 7.41200971603394, 1.15470051765442, 160.652328491211, 0.0, 0.0, 7.35654258728027, 0.0, 1.0, 0.0, , 0.0, 153.962753295898, 4.0517430305481, 3.80735492706299, 6.0, 118.846786499023, 0.0, 79.0400009155273, 0.0, 43.5250205993652, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 0.0, 0.0, , , 2.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.69867038726807, , , 0.5, 3.34606528282166, 0.0, 0.0, 0.0, 0.20412415266037, 1.0, 2.09077024459839, 0.0, 0.0, 0.5, , 1.73205077648163, 0.0, 0.0, 0.0, 0.0, 0.866025388240814, 0.0, 0.0, 0.147364437580109, 0.0, 0.0, 0.0, 1.0, -0.0776967480778694, 1.0, 0.0, 0.0, 0.0, 0.0
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-InChI%3D1S%2FC11H10N4%2Fc1-15-9-5-4-8-7%283-2-6-13-8%2910%289%2914-11%2815%2912%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29, 0.0, 2.9106605052948 2.9106605052948, 2.91870903968811, 0.108524136245251, 0.0, 0.0, 0.0, 4.71656513214111 4.71656513214111, 2.08540463447571, -0.0647538751363754, 0.0, 0.0, 6.74198770523071 6.74198770523071, 0.024546917527914, 0.0, 0.0, 0.75, 0.0, 0.0, 0.0, 84.0, 182.0, 1.03717517852783 1.03717517852783, 0.0, 0.0, 0.0, 0.0, 1.38907468318939 1.38907468318939, 0.0, 0.0, 0.0, 10.1730108261108, 0.0, 0.0, 1.59772276878357 1.59772276878357, 0.0, 3.78559994697571, 0.0785674229264259, 0.0, 0.0, 0.0, 1.55555558204651, 0.39694020152092, 0.0279508493840694, 0.0, 0.0, 0.666987478733063, 8.28117847442627, 0.114389039576054, 4.74225807189941, 0.155846387147903, , 5.29611921310425, 0.431473314762115, 0.0, 3.56240057945251, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.7032482624054, 2.0, 0.113039240241051, 0.0, 1.87449431419373, 1.0, 0.0, 0.0, 1.25759768486023, 0.0, 0.0, 0.0, 0.0, 0.696886301040649, 0.0, 52.0099983215332, 0.0, 0.403339833021164, 0.0, 0.577350258827209, 0.0, 0.0, 0.0, 0.5, 16.4399528503418, 1.0, 0.0, 18.3294811248779, 0.0, 0.0, 324.0, 0.0, 1036.88159179688, 1.0, 0.0, 27.2432613372803, 1.04397451877594, 1253.43103027344, 0.0, 0.0, 26.9942226409912, 0.0, 0.0, 0.0, 0.0, 1.67081260681152, 1846.97192382812, 19.5232849121094, 4.90689039230347, 25.0, 1721.62670898438, 0.0, 519.039978027344, 0.0, 1178.408203125, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, , 1.0, 0.0, 0.0, 0.0, 0.25, 0.0, 0.0, 0.63245552778244, 7.0, 0.0, 10.4138488769531, 0.0, 0.0, 0.428571432828903, 7.2708568572998, 0.0, 1.0, 0.0, 1.00306725502014, 0.0, 6.68555355072021, 0.0, 0.0, 4.20685720443726, 0.0, 6.15541410446167, 0.393802672624588, 9.65257549285889, 1.0, 0.0, 5.16485643386841, 5.0, 0.0, 0.219338864088058, 0.0, 0.0, 0.0, 0.0, -0.172578155994415, 1.0, 4.26659250259399, 0.0, 0.0, 0.0
-InChI%3D1S%2FC5H10N2O3%2Fc1-7%286-10%294-2-3-5%288%299%2Fh2-4H2%2C1H3%2C%28H%2C8%2C9%29, , 0.781474411487579 0.781474411487579, 0.485702246427536, 0.0493883118033409, 3.0, 0.0, 0.0, 0.55258584022522 0.55258584022522, 0.16666667163372, -0.0204417463392019, , 0.0, 0.34552201628685 0.34552201628685, -0.0723515152931213, , 0.0, 0.75, 0.0, 0.0, 0.0, 38.0, 98.0, 0.203378573060036 0.203378573060036, 0.0, 0.650697648525238, 0.0, 0.0, 0.143810361623764 0.143810361623764, 0.0, 0.0, 0.0, 10.0, 0.0, 0.0, 0.0786566063761711 0.0786566063761711, 0.0, 5.76000022888184, 0.0, 0.0, 0.0, 0.0, 7.0, 0.0, 0.0, 1.0, 0.0, 0.0, 5.77945756912231, 0.0, 2.92729997634888, 0.0, , 0.0, 0.205971077084541, 0.0, 1.96019756793976, 0.0, 0.0, , 0.0, 0.0, 0.0, 1.01174747943878, 0.0, 0.0, , 0.499932050704956, 1.0, 0.0, 0.0, 0.210909992456436, , , , 0.0, 0.112309105694294, 0.0, 69.9700012207031, 0.0, 0.0123475287109613, , 0.0, 0.0, 0.0, , 0.0, 13.0433835983276, 0.0, , 10.910008430481, 0.0, , 146.0, 0.0, 313.257110595703, 1.0, 0.0, 12.4906749725342, 1.04004192352295, 309.374664306641, 0.0, 0.0, 9.66073799133301, 0.0, 0.0, 0.0, , 0.200000002980232, 320.277740478516, 7.32864665985107, 4.32192802429199, 8.0, 250.010055541992, 0.0, 271.049987792969, 0.0, 182.89128112793, 0.0, 0.0, 0.0, 0.0, , 0.0, 0.0, , 0.0, 0.0, 0.0, 1.0, 0.0, , , 1.0, 0.0, , , 0.0, 0.0, 0.0, 1.0, 2.0, 0.0, 7.98312759399414, , , 0.428571432828903, 4.66390228271484, 0.0, 0.0, 0.0, 0.696923434734344, 1.0, 3.83817052841187, 0.0, 0.0, 2.38110160827637, , 2.17532134056091, 0.0, 1.65096366405487, 0.0, 0.0, 1.07868528366089, 0.0, 0.0, 0.254600375890732, 0.0, 0.0, 0.0, 2.0, -0.126329034566879, 1.0, 0.581224262714386, 0.0, 0.0, 0.0
-InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3, , 1.47827804088593 1.47827804088593, 0.504473328590393, 0.0, 0.0, , , 1.55802857875824 1.55802857875824, 0.0680413842201233, 0.0, , , 2.07593297958374 2.07593297958374, 0.0, , 0.0, 0.666666686534882, , , , 42.0, 67.0, 0.790402293205261 0.790402293205261, , 0.0, , 0.0, 0.711787641048431 0.711787641048431, 0.0, 0.0, , 7.11111116409302, 0.0, , 0.838514804840088 0.838514804840088, 0.0, 2.72222232818604, 0.0, 0.0, , 0.0, 1.70414197444916, 0.0680413842201233, 0.0, , 0.0, 0.20412415266037, 6.23205089569092, 0.0240562614053488, 3.23803377151489, 0.0721687823534012, , 1.65096366405487, 0.455341815948486, 0.0, 2.58771324157715, 0.0, 0.0, , 0.0, , 0.0, 1.66241073608398, 0.0, 0.0833333358168602, , 0.891346037387848, 3.0, 0.0, , 0.562731385231018, , , , 0.0, 0.186004236340523, , 0.0, 0.0, 0.0240562614053488, , 0.0, 0.0, 0.0, , 0.0, 9.0, 3.0, , 9.0, 0.0, , 84.0, 0.766309440135956, 487.7451171875, 0.0, 0.0, 12.0, 3.47938084602356, 525.672973632812, 0.0, 0.0, 10.0, 0.0, 0.0, , , 4.44149208068848, 663.194458007812, 4.0, 4.16992521286011, 10.0, 510.820190429688, , 369.0, 0.0, 182.159240722656, 3.0, , , 0.0, , 0.0, 0.0, , 0.0, , 0.0, 0.0, 0.0, , , 3.0, 0.0, , , 0.0, 0.0, 0.0, 0.0, 3.0, , 6.85337114334106, , , 0.400000005960464, 4.19837713241577, 0.0, 0.0, , 0.760079681873322, , 3.87279200553894, 0.0, 0.0, 1.65096366405487, , 2.86036610603333, 0.16666667163372, 5.85380077362061, , , 1.81676292419434, 3.0, , 0.0, 0.0, 0.0, , , 0.0, , 1.33160018920898, , , 0.0
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-InChI%3D1S%2FC9H13N.ClH%2Fc1-6-4-7%282%299%2810%298%283%295-6%3B%2Fh4-5H%2C10H2%2C1-3H3%3B1H, 0.0, 2.00613451004028 2.00613451004028, 0.69780433177948, -0.00386322080157697, 0.0, 0.0, 0.0, 2.69851565361023 2.69851565361023, 0.111111111938953, -0.000693121750373393, 0.0, 0.0, 3.27736973762512 3.27736973762512, -6.39677546132589e-06, 0.0, 0.0, 999.0009765625, 0.0, 0.0, 0.0, 48.0, -1474836480.0, 0.849679350852966 0.849679350852966, 0.0, 0.0, 0.0, 0.0, 1.12373566627502 1.12373566627502, 0.0, 0.0, 0.0, 11.0, 0.0, 0.0, 1.08678770065308 1.08678770065308, 0.0, 4.13265323638916, 0.0, 0.0, 0.0, 0.0, 2.5, 0.0555555559694767, 0.0, 0.0, 0.0, 0.222222223877907, 7.95679569244385, 0.020833333954215, 3.44337558746338, 0.0745281279087067, , 3.53277564048767, 0.527510583400726, 1.0, 2.8123927116394, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.73803389072418, 0.0, 0.0833333358168602, 0.0, 1.19118571281433, 3.0, 0.0, 0.0, 0.484116762876511, 0.0, 0.0, 0.0, 0.0, 0.262891709804535, 0.0, 26.0200004577637, 0.0, 0.0240562614053488, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 19.0727424621582, 3.0, 0.0, 10.1661853790283, 0.0, 0.0, 10000000000.0, 0.75, 584.841003417969, 0.0, 0.0, 14.3323707580566, 2.38110160827637, 635.339721679688, 0.0, 0.0, 13.664740562439, 0.0, 0.0, 0.0, 0.0, 5.4989185333252, 836.310852050781, 7.16618537902832, 4.45943164825439, 13.0, 706.945068359375, 0.0, 466.019989013672, 0.0, 323.829498291016, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, , 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.0, 0.0, 7.72361469268799, 0.0, 0.0, 0.999000012874603, 4.60906076431274, 0.0, 0.0, 0.0, 0.952529728412628, 0.0, 4.39026069641113, 0.0, 0.0, 0.5, 0.0, 3.34344482421875, 0.272165536880493, 5.11154460906982, 0.0, 0.0, 2.35571956634521, 2.0, 0.0, 0.0268570054322481, 0.0, 0.0, 0.0, 0.0, -0.00886556040495634, 0.0, 1.30466866493225, 0.0, 0.0, 0.0
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