diff options
Diffstat (limited to 'cv/data/csv/LOAEL_joelib.csv')
| -rw-r--r-- | cv/data/csv/LOAEL_joelib.csv | 890 |
1 files changed, 445 insertions, 445 deletions
diff --git a/cv/data/csv/LOAEL_joelib.csv b/cv/data/csv/LOAEL_joelib.csv index 04c87e9..4efdf79 100644 --- a/cv/data/csv/LOAEL_joelib.csv +++ b/cv/data/csv/LOAEL_joelib.csv @@ -1,445 +1,445 @@ -SMILES,TopologicalDiameter,NumberOfBonds,PolarSurfaceArea,FractionRotatableBonds,MolarRefractivity,AromaticBonds,ZagrebIndex1,MolecularWeight,HeavyBonds,NumberOfHal,HBD2,KierShape1,NumberOfAtoms,KierShape2,HBA1,RotatableBonds,KierShape3,GraphShapeCoefficient,HBA2,LogP -InChI%3D1S%2FC13H12BrCl2N3O%2Fc14-9-4-13%2820-5-9%2C6-19-8-17-7-18-19%2911-2-1-10%2815%293-12%2811%2916%2Fh1-3%2C7-9H%2C4-6H2,9.0,22.0,39.94,0.136363636363636,81.446,11.0,108.0,364.972992897034,22.0,3.0,0.0,14.9173553719008,20.0,6.01171875,3.0,3.0,3.12244897959184,8.0,4.0,3.6642 -InChI%3D1S%2FC12H14N2%2Fc1-13-7-3-11%284-8-13%2912-5-9-14%282%2910-6-12%2Fh3-10H%2C1-2H3,9.0,15.0,6.48,0.0,54.6724,0.0,70.0,172.14599609375,15.0,0.0,0.0,10.5155555555556,14.0,4.68,2.0,0.0,2.75,8.0,2.0,2.1044 -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,10.0,21.0,20.23,0.142857142857143,86.1928,12.0,106.0,361.417990684509,21.0,5.0,1.0,16.3718820861678,20.0,6.01171875,1.0,3.0,3.27662105889352,9.0,1.0,5.5995 -InChI%3D1S%2FC20H22N4O6S%2Fc1-28-12-17%2825%2921-16-11-14%2831-13-7-5-4-6-8-13%299-10-15%2816%2922-18%2823-19%2826%2929-2%2924-20%2827%2930-3%2Fh4-11H%2C12H2%2C1-3H3%2C%28H%2C21%2C25%29%28H2%2C22%2C23%2C24%2C26%2C27%29,14.0,32.0,163.12,0.3125,119.8474,12.0,146.0,424.308992385864,32.0,0.0,3.0,27.24609375,31.0,15.0089232599643,11.0,10.0,10.2083333333333,13.0,11.0,4.1805 -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%2C3-4H2,8.0,19.0,62.68,0.157894736842105,72.5092,0.0,96.0,339.993993759155,19.0,4.0,0.0,14.409972299169,18.0,5.17479191438763,4.0,3.0,2.65927977839335,7.0,4.0,3.4588 -InChI%3D1S%2FC7H12ClN5%2Fc1-3-9-6-11-5%288%2912-7%2813-6%2910-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29,8.0,13.0,69.19,0.153846153846154,50.1564,6.0,58.0,189.56499671936,13.0,1.0,2.0,11.0769230769231,13.0,5.671875,3.0,2.0,3.7037037037037,7.0,3.0,0.2324 -InChI%3D1S%2FC8H6Cl2O3%2Fc9-5-1-2-7%286%2810%293-5%2913-4-8%2811%2912%2Fh1-3H%2C4H2%2C%28H%2C11%2C12%29,8.0,13.0,49.36,0.230769230769231,47.6505,6.0,60.0,214.99099445343,13.0,2.0,1.0,11.0769230769231,13.0,5.0242214532872,2.0,3.0,3.7037037037037,7.0,3.0,1.1221 -InChI%3D1S%2FC15H12F3NO4S%2Fc1-24%2821%2C22%2912-6-9%2815%2816%2C17%2918%294-5-10%2812%2913%2820%2911-7-19-23-14%2811%298-2-3-8%2Fh4-8H%2C2-3H2%2C1H3,10.0,26.0,85.62,0.192307692307692,76.5085,11.0,134.0,347.228992462158,26.0,3.0,0.0,18.7810650887574,24.0,6.622248661511,4.0,5.0,3.75887573964497,9.0,5.0,4.2861 -InChI%3D1S%2FC16H12ClF4N3O4%2Fc1-2-22%288-10-11%2817%294-3-5-12%2810%2918%2915-13%2823%2825%2926%296-9%2816%2819%2C20%2921%297-14%2815%2924%2827%2928%2Fh3-7H%2C2%2C8H2%2C1H3,11.0,29.0,94.88,0.241379310344828,97.222,12.0,144.0,409.637989044189,29.0,5.0,0.0,24.2711058263971,28.0,9.87128177393186,5.0,7.0,5.79561042524005,10.0,1.0,6.3872 -InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3-8H%2C1-2H3,8.0,11.0,9.23,0.181818181818182,47.702,6.0,48.0,136.108996391296,11.0,0.0,0.0,9.09090909090909,11.0,4.79289940828402,1.0,2.0,2.84444444444444,7.0,1.0,2.7283 -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%2C1-4H3,17.0,28.0,52.6,0.571428571428571,113.619,6.0,124.0,352.259990692139,28.0,0.0,0.0,26.0357142857143,28.0,15.7889273356401,4.0,16.0,10.0535395597858,16.0,4.0,6.43300000000001 -InChI%3D1S%2FC15H11BrClF3N2O%2Fc1-2-23-8-22-13%289-3-5-10%2817%296-4-9%2911%287-21%2912%2816%2914%2822%2915%2818%2C19%2920%2Fh3-6H%2C2%2C8H2%2C1H3,10.0,24.0,37.95,0.208333333333333,83.921,11.0,118.0,396.528990745544,24.0,5.0,0.0,19.3263888888889,23.0,7.92,2.0,5.0,4.15879017013232,9.0,3.0,5.45548 -InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,3.0,6.0,40.46,0.166666666666667,27.4046,0.0,30.0,162.378995895386,6.0,3.0,2.0,7.0,7.0,1.85185185185185,2.0,1.0,2.66666666666667,2.0,2.0,1.5911 -InChI%3D1S%2FC14H16ClN5O5S%2Fc1-9-16-12%2819-14%2817-9%2924-2%2918-13%2821%2920-26%2822%2C23%2911-6-4-3-5-10%2811%2925-8-7-15%2Fh3-6H%2C7-8H2%2C1-2H3%2C%28H2%2C16%2C17%2C18%2C19%2C20%2C21%29,14.0,27.0,147.5,0.259259259259259,93.1855,12.0,128.0,385.703993797302,27.0,1.0,2.0,22.2908093278464,26.0,10.518626734843,9.0,7.0,6.84297520661157,13.0,9.0,2.0237 -InChI%3D1S%2FC19H22FN3O%2Fc20-17-8-6-16%287-9-17%2918%2824%294-3-11-22-12-14-23%2815-13-22%2919-5-1-2-10-21-19%2Fh1-2%2C5-10H%2C3-4%2C11-15H2,16.0,26.0,37.64,0.230769230769231,88.3976,12.0,120.0,305.226992607117,26.0,1.0,1.0,18.7810650887574,24.0,9.62975778546713,3.0,6.0,5.76190476190476,15.0,3.0,3.2229 -InChI%3D1S%2FC10H14NO5PS%2Fc1-3-14-17%2818%2C15-4-2%2916-10-7-5-9%286-8-10%2911%2812%2913%2Fh5-8H%2C3-4H2%2C1-2H3,10.0,18.0,115.41,0.388888888888889,73.655,6.0,84.0,277.152997016907,18.0,0.0,0.0,16.0555555555556,18.0,7.55555555555556,6.0,7.0,5.26748971193416,9.0,4.0,4.4449 -InChI%3D1S%2FC17H14ClF7O2%2Fc1-6-11%2819%2913%2821%297%2814%2822%2912%286%2920%295-27-15%2826%2910-8%2816%2810%2C2%293%294-9%2818%2917%2823%2C24%2925%2Fh4%2C8%2C10H%2C5H2%2C1-3H3,13.0,28.0,26.3,0.214285714285714,81.559,6.0,146.0,404.623987197876,28.0,8.0,0.0,23.280612244898,27.0,8.02469135802469,2.0,6.0,4.30221200804367,12.0,2.0,5.5518 -InChI%3D1S%2FC14H12FNO3%2Fc1-7-2-3-8-4-9%2815%295-10-12%288%2916%287%296-11%2813%2810%2917%2914%2818%2919%2Fh4-7H%2C2-3H2%2C1H3%2C%28H%2C18%2C19%29,7.0,21.0,62.13,0.0476190476190476,66.215,11.0,106.0,249.155993461609,21.0,1.0,1.0,13.9591836734694,19.0,5.080078125,2.0,1.0,2.27555555555556,6.0,4.0,1.0113 -InChI%3D1S%2FC13H15N3O3%2Fc1-7%282%2913%283%2912%2819%2915-10%2816-13%299-8%2811%2817%2918%295-4-6-14-9%2Fh4-7H%2C1-3H3%2C%28H%2C17%2C18%29%28H%2C15%2C16%2C19%29,8.0,20.0,94.48,0.15,61.8141,6.0,100.0,246.160994529724,20.0,0.0,2.0,15.39,19.0,5.78,5.0,3.0,2.88,7.0,6.0,-0.499399999999999 -InChI%3D1S%2FC9H7N3S%2Fc1-6-3-2-4-7-8%286%2912-5-10-11-9%2812%2913-7%2Fh2-5H%2C1H3,6.0,15.0,58.43,0.0,53.107,14.0,74.0,182.18699836731,15.0,0.0,0.0,8.32,13.0,3.0,2.0,0.0,1.171875,5.0,4.0,2.2524 -InChI%3D1S%2FC2H7O3P%2Fc1-4-6%283%295-2%2Fh6H%2C1-2H3,4.0,5.0,69.67,0.4,21.6245,0.0,20.0,102.992999076843,5.0,0.0,0.0,6.0,6.0,3.2,4.0,2.0,3.0,3.0,3.0,0.9366 -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%2C1H3,10.0,22.0,46.53,0.227272727272727,82.5358,12.0,106.0,311.078991889954,22.0,2.0,1.0,17.3553719008264,21.0,7.51300728407908,3.0,5.0,3.85484830458061,9.0,3.0,3.7924 -InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,7.0,14.0,20.23,0.0714285714285714,53.5428,12.0,64.0,160.130995750427,14.0,0.0,1.0,9.55102040816327,13.0,4.48148148148148,1.0,1.0,2.26843100189036,6.0,1.0,3.0592 -InChI%3D1S%2FC11H15NO2%2Fc1-7-5-10%2814-11%2813%2912-4%296-8%282%299%287%293%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,8.0,14.0,41.82,0.142857142857143,57.2688,6.0,66.0,178.125995635986,14.0,0.0,1.0,12.0714285714286,14.0,5.18559556786704,3.0,2.0,3.27272727272727,7.0,3.0,2.5344 -InChI%3D1S%2FC9H16N4OS%2Fc1-9%282%2C3%296-11-12-8%2815-6%2913%285%297%2814%2910-4%2Fh1-5H3%2C%28H%2C10%2C14%29,8.0,15.0,89.85,0.2,62.9998,5.0,74.0,212.192997932434,15.0,0.0,1.0,13.0666666666667,15.0,4.88842975206612,5.0,3.0,3.2256,7.0,6.0,1.8156 -InChI%3D1S%2FC11H15NO2S%2Fc1-7-5-9%2814-11%2813%2912-3%296-8%282%2910%287%2915-4%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,9.0,15.0,67.12,0.2,64.3128,6.0,70.0,210.19299697876,15.0,0.0,1.0,13.0666666666667,15.0,5.915,4.0,3.0,3.5,8.0,4.0,2.9479 -InChI%3D1S%2FC22H28N2O3%2Fc1-14-11-15%282%2913-17%2812-14%2921%2826%2924%2822%284%2C5%296%2923-20%2825%2918-9-8-10-19%2827-7%2916%2818%293%2Fh8-13H%2C1-7H3%2C%28H%2C23%2C25%29,12.0,28.0,62.13,0.214285714285714,108.7353,12.0,138.0,340.252991676331,28.0,0.0,1.0,23.280612244898,27.0,9.66686496133254,5.0,6.0,5.9904,11.0,5.0,4.7809 -InChI%3D1S%2FC6H8N2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H%2C7-8H2,5.0,9.0,72.27,0.0,36.9316,6.0,42.0,116.078997612,9.0,0.0,1.0,7.11111111111111,9.0,2.72222222222222,3.0,0.0,1.70414201183432,4.0,3.0,0.5566 -InChI%3D1S%2FC14H16ClN3O2%2Fc1-14%282%2C3%2912%2819%2913%2818-9-16-8-17-18%2920-11-6-4-10%2815%295-7-11%2Fh4-9%2C13H%2C1-3H3,9.0,21.0,57.01,0.238095238095238,75.601,11.0,102.0,277.625993728638,21.0,1.0,0.0,16.3718820861678,20.0,6.84,4.0,5.0,4.49632653061224,8.0,5.0,3.1243 -InChI%3D1S%2FC12H10Cl2F3NO%2Fc13-5-7-6-18%2811%2819%2910%287%2914%299-3-1-2-8%284-9%2912%2815%2C16%2917%2Fh1-4%2C7%2C10H%2C5-6H2,9.0,20.0,20.31,0.15,64.4482,6.0,100.0,302.037991523743,20.0,5.0,0.0,15.39,19.0,5.78,2.0,3.0,3.19113573407202,8.0,2.0,3.5794 -InChI%3D1S%2FC8H10N2O4S%2Fc1-14-8%2811%2910-15%2812%2C13%297-4-2-6%289%293-5-7%2Fh2-5H%2C9H2%2C1H3%2C%28H%2C10%2C11%29,9.0,15.0,110.36,0.2,55.1572,6.0,72.0,220.16499710083,15.0,0.0,1.0,13.0666666666667,15.0,5.36507936507936,6.0,3.0,3.8109640831758,8.0,6.0,1.5987 -InChI%3D1S%2FC17H9Cl3N4O2%2Fc18-10-3-1-9%282-4-10%2911%287-21%2915-12%2819%295-6-13%2816%2815%2920%2924-17%2826%2923-14%2825%298-22-24%2Fh1-6%2C8%2C11H%2C%28H%2C23%2C25%2C26%29,13.0,28.0,91.8,0.107142857142857,98.2218,18.0,136.0,398.571990966797,28.0,3.0,1.0,20.7270408163265,26.0,9.0,5.0,3.0,4.54320987654321,12.0,6.0,3.94878 -InChI%3D1S%2FC5H5N3O%2Fc6-5%289%294-3-7-1-2-8-4%2Fh1-3H%2C%28H2%2C6%2C9%29,5.0,9.0,69.86,0.111111111111111,31.4895,6.0,40.0,118.074997901917,9.0,0.0,2.0,7.11111111111111,9.0,3.2396694214876,4.0,1.0,2.0,4.0,4.0,0.36 -InChI%3D1S%2FC7H14NO5P%2Fc1-6%285-7%289%298-2%2913-14%2810%2C11-3%2912-4%2Fh5H%2C1-4H3%2C%28H%2C8%2C9%29,8.0,13.0,87.16,0.384615384615385,52.4543,0.0,60.0,209.052996635437,13.0,0.0,1.0,14.0,14.0,6.47750865051903,6.0,5.0,5.48096885813149,7.0,6.0,1.894 -InChI%3D1S%2FC4H6O2%2Fc1-3%282%294%285%296%2Fh1H2%2C2H3%2C%28H%2C5%2C6%29,3.0,5.0,40.13,0.2,20.5075,0.0,22.0,80.0419979095459,5.0,0.0,1.0,6.0,6.0,2.22222222222222,1.0,1.0,3.0,2.0,2.0,-0.6876 -InChI%3D1S%2FC22H18N2O4%2Fc1-22%2816-12-14-19%2815-13-16%2927-18-10-6-3-7-11-18%2920%2825%2924%2821%2826%2928-22%2923-17-8-4-2-5-9-17%2Fh2-15%2C23H%2C1H3,16.0,31.0,67.87,0.161290322580645,101.4819,18.0,150.0,356.251991271973,31.0,0.0,1.0,21.2403746097815,28.0,9.42768595041322,6.0,5.0,4.85492674518816,15.0,6.0,4.6379 -InChI%3D1S%2FC19H15ClF3NO7%2Fc1-3-29-17%2825%2910%282%2930-18%2826%2913-9-12%285-7-15%2813%2924%2827%2928%2931-16-8-11%2819%2821%2C22%2923%294-6-14%2816%2920%2Fh4-10H%2C3H2%2C1-2H3,15.0,32.0,107.65,0.3125,103.3025,12.0,156.0,446.655987739563,32.0,4.0,0.0,27.24609375,31.0,11.9234404536862,7.0,10.0,7.77520661157025,14.0,5.0,5.6909 -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%2C1-4H3,9.0,18.0,138.26,0.611111111111111,77.791,0.0,82.0,311.21199798584,18.0,0.0,0.0,19.0,19.0,9.8336483931947,8.0,11.0,7.3728,8.0,8.0,2.7724 -InChI%3D1S%2FC22H17ClF3N3O7%2Fc1-33-18%2830%2921-10-12-9-13%2823%293-8-16%2812%2917%2821%2927-28%2811-35-21%2919%2831%2929%2820%2832%2934-2%2914-4-6-15%287-5-14%2936-22%2824%2C25%2926%2Fh3-9H%2C10-11H2%2C1-2H3,16.0,39.0,106.97,0.230769230769231,112.6074,12.0,196.0,510.702986717224,39.0,4.0,0.0,28.9940828402367,36.0,11.6230968112611,10.0,9.0,6.11248197404262,15.0,10.0,3.4668 -InChI%3D1S%2FC15H17N5O6S%2Fc1-9-16-13%2818-14%2817-9%2926-4%2920%282%2915%2822%2919-27%2823%2C24%2911-8-6-5-7-10%2811%2912%2821%2925-3%2Fh5-8H%2C1-4H3%2C%28H%2C19%2C22%29,13.0,28.0,152.55,0.25,94.5943,12.0,136.0,378.26099395752,28.0,0.0,1.0,23.280612244898,27.0,10.15625,11.0,7.0,5.9904,12.0,11.0,1.7951 -InChI%3D1S%2FC11H14ClNO%2Fc1-9%282%2913%2811%2814%298-12%2910-6-4-3-5-7-10%2Fh3-7%2C9H%2C8H2%2C1-2H3,7.0,14.0,20.31,0.285714285714286,59.784,6.0,64.0,197.579995155334,14.0,1.0,0.0,12.0714285714286,14.0,5.77777777777778,2.0,4.0,3.27272727272727,6.0,2.0,2.6668 -InChI%3D1S%2FC9H9ClO3%2Fc1-6-4-7%2810%292-3-8%286%2913-5-9%2811%2912%2Fh2-4H%2C5H2%2C1H3%2C%28H%2C11%2C12%29,8.0,13.0,49.36,0.230769230769231,47.3775,6.0,60.0,191.548995018005,13.0,1.0,1.0,11.0769230769231,13.0,5.0242214532872,2.0,3.0,3.7037037037037,7.0,3.0,0.7771 -InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3,6.0,12.0,83.87,0.25,42.8718,5.0,56.0,162.083996772766,12.0,0.0,1.0,10.0833333333333,12.0,4.296875,4.0,3.0,2.25,5.0,3.0,0.6152 -InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H,8.0,14.0,12.03,0.142857142857143,56.1667,12.0,62.0,158.138996124268,14.0,0.0,1.0,9.55102040816327,13.0,5.0242214532872,1.0,2.0,3.0,7.0,0.0,3.4302 -InChI%3D1S%2FC15H15F3N2O2%2Fc1-10%282%2914%2821%2C12-7-19-9-20-8-12%2911-3-5-13%286-4-11%2922-15%2816%2C17%2918%2Fh3-10%2C21H%2C1-2H3,11.0,23.0,55.24,0.217391304347826,72.9938,12.0,114.0,297.170991897583,23.0,3.0,1.0,18.3402646502836,22.0,7.26643598615917,4.0,5.0,4.52111838191553,10.0,4.0,3.2671 -InChI%3D1S%2FC19H15ClF3NO7%2Fc1-3-29-17%2825%2910%282%2930-18%2826%2913-9-12%285-6-15%2813%2924%2827%2928%2931-16-7-4-11%288-14%2816%2920%2919%2821%2C22%2923%2Fh4-10H%2C3H2%2C1-2H3,16.0,32.0,107.65,0.3125,103.3025,12.0,156.0,446.655987739563,32.0,4.0,0.0,27.24609375,31.0,11.9234404536862,7.0,10.0,7.77520661157025,15.0,5.0,5.6909 -InChI%3D1S%2FC15H21ClN2O2%2Fc1-4-12-7-6-8-13%285-2%2915%2812%2918%2814%2820%299-16%2910-17-11%283%2919%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3%2C%28H%2C17%2C19%29,8.0,20.0,52.9,0.35,84.0088,6.0,92.0,275.629993438721,20.0,1.0,1.0,18.05,20.0,9.10650887573964,4.0,7.0,5.05785123966942,7.0,4.0,3.3171 -InChI%3D1S%2FC20H33NO%2Fc1-15%2812-21-13-16%282%2922-17%283%2914-21%2911-18-7-9-19%2810-8-18%2920%284%2C5%296%2Fh7-10%2C15-17H%2C11-14H2%2C1-6H3,12.0,23.0,13.67,0.217391304347826,93.2019,6.0,112.0,270.225993156433,23.0,0.0,1.0,18.3402646502836,22.0,7.71349862258953,1.0,5.0,5.8641975308642,11.0,1.0,4.424 -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%29,9.0,16.0,89.75,0.1875,60.8114,6.0,76.0,227.593996047974,16.0,1.0,2.0,14.0625,16.0,6.07438016528926,5.0,3.0,4.81663516068053,8.0,5.0,1.09278 -InChI%3D1S%2FC8H19O2PS3%2Fc1-4-9-11%2812%2C10-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3,9.0,13.0,110.96,0.692307692307692,73.22,0.0,56.0,255.261001586914,13.0,0.0,0.0,14.0,14.0,8.32,5.0,9.0,7.04,8.0,5.0,4.4208 -InChI%3D1S%2FC22H28N2O2%2Fc1-7-17-8-10-18%2811-9-17%2920%2825%2923-24%2822%284%2C5%296%2921%2826%2919-13-15%282%2912-16%283%2914-19%2Fh8-14H%2C7H2%2C1-6H3%2C%28H%2C23%2C25%29,13.0,27.0,49.41,0.259259259259259,105.1247,12.0,132.0,324.253992080688,27.0,0.0,1.0,22.2908093278464,26.0,9.46745562130178,4.0,7.0,6.26086956521739,12.0,4.0,4.4515 -InChI%3D1S%2FC16H16N2O4%2Fc1-11-5-3-6-12%289-11%2918-16%2820%2922-14-8-4-7-13%2810-14%2917-15%2819%2921-2%2Fh3-10H%2C1-2H3%2C%28H%2C17%2C19%29%28H%2C18%2C20%29,13.0,23.0,83.64,0.217391304347826,84.7056,12.0,106.0,284.18599319458,23.0,0.0,2.0,18.3402646502836,22.0,9.33333333333333,6.0,5.0,6.57439446366782,12.0,6.0,3.8114 -InChI%3D1S%2FC18H34O6%2Fc1-2-3-4-5-6-7-8-9-10-11-16%2821%2923-13-15%2820%2918-17%2822%2914%2819%2912-24-18%2Fh14-15%2C17-20%2C22H%2C2-13H2%2C1H3,18.0,24.0,96.22,0.583333333333333,90.5634,0.0,106.0,312.19199180603,24.0,0.0,3.0,22.0416666666667,24.0,13.2366230677765,6.0,14.0,9.33333333333333,17.0,6.0,1.932 -InChI%3D1S%2FC11H20N3O3PS%2Fc1-6-14%287-2%2911-12-9%283%298-10%2813-11%2917-18%2819%2C15-4%2916-5%2Fh8H%2C6-7H2%2C1-5H3,9.0,19.0,98.61,0.368421052631579,79.487,6.0,90.0,285.179997444153,19.0,0.0,0.0,17.0526315789474,19.0,7.69526627218935,7.0,7.0,4.79500520291363,8.0,7.0,3.1779 -InChI%3D1S%2FC18H19NO4%2Fc1-13-8-4-7-11-16%2813%2923-12-14-9-5-6-10-15%2814%2917%2819-22-3%2918%2820%2921-2%2Fh4-11H%2C12H2%2C1-3H3,11.0,24.0,57.12,0.291666666666667,87.515,12.0,110.0,294.200992584229,24.0,0.0,0.0,19.3263888888889,23.0,10.0957336108221,5.0,7.0,5.5,10.0,5.0,3.0975 -InChI%3D1S%2FC10H17N2O4PS%2Fc1-5-8-11-9%2815-6-2%297-10%2812-8%2916-17%2818%2C13-3%2914-4%2Fh7H%2C5-6H2%2C1-4H3,9.0,18.0,104.6,0.388888888888889,71.736,6.0,84.0,275.160997390747,18.0,0.0,0.0,16.0555555555556,18.0,7.55555555555556,7.0,7.0,4.89795918367347,8.0,7.0,2.9844 -InChI%3D1S%2FC9H20N2O2%2Fc1-4-8-13-9%2812%2910-6-5-7-11%282%293%2Fh4-8H2%2C1-3H3%2C%28H%2C10%2C12%29,10.0,12.0,46.26,0.583333333333333,55.6025,0.0,50.0,168.110996246338,12.0,0.0,2.0,13.0,13.0,8.59171597633136,3.0,7.0,9.91735537190083,9.0,3.0,-0.1384 -InChI%3D1S%2FC10H14N2O5%2Fc13-4-3-11-9-2-1-8%2812%2815%2916%297-10%289%2917-6-5-14%2Fh1-2%2C7%2C11%2C13-14H%2C3-6H2,9.0,17.0,107.54,0.411764705882353,63.4203,6.0,76.0,228.11899471283,17.0,0.0,3.0,15.0588235294118,17.0,8.16326530612245,6.0,7.0,5.0176,8.0,4.0,0.8933 -InChI%3D1S%2FC7H5NS2%2Fc9-7-8-5-3-1-2-4-6%285%2910-7%2Fh1-4H%2C%28H%2C8%2C9%29,5.0,11.0,79.93,0.0,46.872,10.0,52.0,162.218000411987,11.0,0.0,1.0,6.69421487603306,10.0,2.56,2.0,0.0,1.2409972299169,4.0,3.0,2.585 -InChI%3D1S%2FC9H6Cl6O3S%2Fc10-5-6%2811%298%2813%294-2-18-19%2816%2917-1-3%284%297%285%2C12%299%288%2C14%2915%2Fh3-4H%2C1-2H2,7.0,21.0,54.74,0.0,77.4985,0.0,116.0,400.88099193573,21.0,6.0,0.0,13.9591836734694,19.0,3.79985390796202,3.0,0.0,1.28,6.0,3.0,4.5555 -InChI%3D1S%2FC17H18N4O6S%2Fc1-10-7-11%282%2919-16%2818-10%2920-17%2823%2921-28%2824%2C25%2914-6-4-3-5-13%2814%2915%2822%2927-12-8-26-9-12%2Fh3-7%2C12H%2C8-9H2%2C1-2H3%2C%28H2%2C18%2C19%2C20%2C21%2C23%29,14.0,30.0,148.45,0.233333333333333,98.06,12.0,146.0,388.275993347168,30.0,0.0,2.0,22.68,28.0,9.87128177393186,10.0,7.0,6.25,13.0,10.0,2.2538 -InChI%3D1S%2FC14H20N3O5PS%2Fc1-5-19-14%2818%2911-9-17-12%2815-10%2811%294%298-13%2816-17%2922-23%2824%2C20-6-2%2921-7-3%2Fh8-9H%2C5-7H2%2C1-4H3,13.0,25.0,126.08,0.36,92.0715,10.0,120.0,353.210995674133,25.0,0.0,0.0,20.3136,24.0,9.08734693877551,8.0,9.0,5.25,12.0,9.0,3.5413 -InChI%3D1S%2FC7H14N2O2S%2Fc1-7%282%2C12-4%295-9-11-6%2810%298-3%2Fh5H%2C1-4H3%2C%28H%2C8%2C10%29,8.0,11.0,79.48,0.363636363636364,53.1588,0.0,50.0,176.15599822998,11.0,0.0,1.0,12.0,12.0,5.61224489795918,5.0,4.0,6.25,7.0,5.0,1.6742 -InChI%3D1S%2FC10H16N4O2S%2Fc1-10%282%2C3%297-11-12-8%2817-7%2914-6%2815%295-13%284%299%2814%2916%2Fh6%2C15H%2C5H2%2C1-4H3,8.0,18.0,97.8,0.111111111111111,59.7012,5.0,92.0,240.202997207642,18.0,0.0,1.0,13.4320987654321,17.0,4.59183673469388,6.0,2.0,2.56,7.0,7.0,1.0287 -InChI%3D1S%2FBrHO3%2Fc2-1%283%294%2Fh%28H%2C2%2C3%2C4%29%2Fp-1,2.0,3.0,57.2,0.0,10.9865,0.0,12.0,127.90099811554,3.0,1.0,1.0,4.0,4.0,1.33333333333333,2.0,0.0,0.0,1.0,3.0,0.4892 -InChI%3D1S%2FC14H21N3O4%2Fc1-6-9%282%2915-13-11%2816%2818%2919%297-10%2814%283%2C4%295%298-12%2813%2917%2820%2921%2Fh7-9%2C15H%2C6H2%2C1-5H3,9.0,21.0,103.67,0.285714285714286,86.1617,6.0,104.0,274.170993804932,21.0,0.0,1.0,19.047619047619,21.0,7.51300728407908,5.0,6.0,5.0,8.0,1.0,5.0573 -InChI%3D1S%2FC6H11N2O4PS3%2Fc1-10-5-7-8%286%289%2916-5%294-15-13%2814%2C11-2%2912-3%2Fh4H2%2C1-3H3,9.0,16.0,158.02,0.375,69.046,5.0,76.0,291.251001358032,16.0,0.0,0.0,14.0625,16.0,6.07438016528926,7.0,6.0,3.76923076923077,8.0,9.0,2.172 -InChI%3D1S%2FC8H11NO2%2Fc1-10-6-3-4-7%289%298%285-6%2911-2%2Fh3-5H%2C9H2%2C1-2H3,6.0,11.0,44.48,0.181818181818182,43.9584,6.0,50.0,142.09299659729,11.0,0.0,0.0,9.09090909090909,11.0,4.13265306122449,3.0,2.0,2.21453287197232,5.0,3.0,1.286 -InChI%3D1S%2FC3H8O3%2Fc4-1-3%286%292-5%2Fh3-6H%2C1-2H2,4.0,5.0,60.69,0.4,20.1784,0.0,20.0,84.0299978256226,5.0,0.0,3.0,6.0,6.0,3.2,3.0,2.0,3.0,3.0,3.0,-1.6681 -InChI%3D1S%2FC12H9Cl%2Fc13-12-8-4-7-11%289-12%2910-5-2-1-3-6-10%2Fh1-9H,7.0,14.0,0.0,0.0714285714285714,56.888,12.0,64.0,179.584995269775,14.0,1.0,0.0,9.55102040816327,13.0,4.48148148148148,0.0,1.0,2.47933884297521,6.0,0.0,4.007 -InChI%3D1S%2FC5H10N2S2%2Fc1-6-3-7%282%295%288%299-4-6%2Fh3-4H2%2C1-2H3,5.0,9.0,65.07,0.0,41.9721,0.0,42.0,152.203001022339,9.0,0.0,1.0,7.11111111111111,9.0,2.72222222222222,3.0,0.0,1.70414201183432,4.0,3.0,0.8867 -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%2C1-2H3,18.0,35.0,68.55,0.285714285714286,118.057,18.0,164.0,428.28498840332,35.0,2.0,0.0,27.585306122449,33.0,13.921231326392,5.0,10.0,8.56123662306778,17.0,5.0,6.62798000000001 -InChI%3D1S%2FC19H21ClN2O%2Fc20-16-12-10-15%2811-13-16%2914-22%2818-8-4-5-9-18%2919%2823%2921-17-6-2-1-3-7-17%2Fh1-3%2C6-7%2C10-13%2C18H%2C4-5%2C8-9%2C14H2%2C%28H%2C21%2C23%29,12.0,25.0,35.83,0.2,95.4168,12.0,116.0,307.67499256134,25.0,1.0,1.0,17.8112,23.0,8.90909090909091,3.0,5.0,5.23497917906008,11.0,3.0,5.3303 -InChI%3D1S%2FC23H22ClF3O2%2Fc1-14-16%2810-7-11-17%2814%2915-8-5-4-6-9-15%2913-29-21%2828%2920-18%2822%2820%2C2%293%2912-19%2824%2923%2825%2C26%2927%2Fh4-12%2C18%2C20H%2C13H2%2C1-3H3,15.0,31.0,26.3,0.225806451612903,107.163,12.0,156.0,400.697988510132,31.0,4.0,0.0,23.6586888657648,29.0,9.24038026256225,2.0,7.0,5.08680462241333,14.0,2.0,6.66240000000001 -InChI%3D1S%2FC10H5Cl2NO2%2Fc11-6-3-5-1-2-7%2812%298%2810%2814%2915%299%285%2913-4-6%2Fh1-4H%2C%28H%2C14%2C15%29,7.0,16.0,53.02,0.0625,56.78,11.0,78.0,237.020994186401,16.0,2.0,1.0,11.484375,15.0,4.47258979206049,2.0,1.0,2.24,6.0,3.0,1.9051 -InChI%3D1S%2FC8H8Cl3O3PS%2Fc1-12-15%2816%2C13-2%2914-8-4-6%2810%295%289%293-7%288%2911%2Fh3-4H%2C1-2H3,8.0,16.0,69.59,0.25,70.629,6.0,78.0,313.48499584198,16.0,3.0,0.0,14.0625,16.0,5.55765595463138,4.0,4.0,3.49519890260631,7.0,4.0,5.1935 -InChI%3D1S%2FC10H13Cl2FN2O2S2%2Fc1-8-4-6-9%287-5-8%2915%2818-10%2811%2C12%2913%2919%2816%2C17%2914%282%293%2Fh4-7H%2C1-3H3,8.0,19.0,74.3,0.263157894736842,79.445,6.0,96.0,334.159996032715,19.0,3.0,0.0,17.0526315789474,19.0,6.18549346016647,5.0,5.0,4.79500520291363,7.0,5.0,4.3952 -InChI%3D1S%2FC12H10%2Fc1-3-7-11%288-4-1%2912-9-5-2-6-10-12%2Fh1-10H,7.0,13.0,0.0,0.0769230769230769,51.878,12.0,58.0,144.131996154785,13.0,0.0,0.0,8.59171597633136,12.0,4.296875,0.0,1.0,2.25,6.0,0.0,3.3536 -InChI%3D1S%2FC12H6Cl4O2S%2Fc13-7-1-3-8%284-2-7%2919%2817%2C18%2912-6-10%2815%299%2814%295-11%2812%2916%2Fh1-6H,10.0,20.0,42.52,0.1,78.42,12.0,100.0,350.008993148804,20.0,4.0,0.0,15.39,19.0,5.78,2.0,2.0,3.19113573407202,9.0,2.0,6.2138 -InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29,3.0,6.0,68.32,0.0,18.7931,5.0,26.0,80.0499992370605,6.0,0.0,3.0,4.16666666666667,6.0,1.63265306122449,2.0,0.0,0.979591836734694,2.0,2.0,-0.7827 -InChI%3D1S%2FC20H23NO3%2Fc1-14-9-8-10-15%282%2919%2814%2921%2816%283%2920%2823%2924-4%2918%2822%2913-17-11-6-5-7-12-17%2Fh5-12%2C16H%2C13H2%2C1-4H3,10.0,25.0,46.61,0.28,95.026,12.0,118.0,302.223992347717,25.0,0.0,0.0,20.3136,24.0,9.62975778546713,4.0,7.0,5.25,9.0,4.0,3.4406 -InChI%3D1S%2FC16H23N3OS%2Fc1-12%282%2919-14%2817-16%283%2C4%295%2921-11-18%2815%2819%2920%2913-9-7-6-8-10-13%2Fh6-10%2C12H%2C11H2%2C1-5H3,10.0,22.0,61.21,0.136363636363636,85.5184,6.0,108.0,282.26299571991,22.0,0.0,0.0,17.3553719008264,21.0,7.05078125,5.0,3.0,4.48753462603878,9.0,5.0,4.1851 -InChI%3D1S%2FC10H19ClNO5P%2Fc1-6-12%287-2%2910%2813%299%2811%298%283%2917-18%2814%2C15-4%2916-5%2Fh6-7H2%2C1-5H3,9.0,17.0,74.88,0.470588235294118,69.1905,0.0,80.0,280.538994789124,17.0,1.0,0.0,18.0,18.0,8.22684310018904,6.0,8.0,5.26748971193416,8.0,6.0,2.7426 -InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,6.0,13.0,91.64,0.153846153846154,48.823,6.0,62.0,176.086996078491,13.0,0.0,0.0,11.0769230769231,13.0,4.48148148148148,4.0,2.0,2.72108843537415,5.0,0.0,2.8578 -InChI%3D1S%2FC12H9Cl2NO3%2Fc1-3-12%282%2910%2816%2915%2811%2817%2918-12%299-5-7%2813%294-8%2814%296-9%2Fh3-6H%2C1H2%2C2H3,8.0,19.0,46.61,0.105263157894737,65.8312,6.0,96.0,277.041993141174,19.0,2.0,0.0,14.409972299169,18.0,5.17479191438763,4.0,2.0,2.65927977839335,7.0,4.0,3.4863 -InChI%3D1S%2FC10H10O4%2Fc1-13-9%2811%297-5-3-4-6-8%287%2910%2812%2914-2%2Fh3-6H%2C1-2H3,7.0,14.0,52.6,0.285714285714286,49.121,6.0,64.0,184.105995178223,14.0,0.0,0.0,12.0714285714286,14.0,5.77777777777778,4.0,4.0,2.99432892249527,6.0,4.0,1.2598 -InChI%3D1S%2FC19H25NO4%2Fc1-11%282%299-14-15%2819%2814%2C3%294%2918%2823%2924-10-20-16%2821%2912-7-5-6-8-13%2812%2917%2820%2922%2Fh9%2C14-15H%2C5-8%2C10H2%2C1-4H3,12.0,26.0,63.68,0.192307692307692,86.2782,0.0,132.0,306.211992263794,26.0,0.0,0.0,18.7810650887574,24.0,6.9575,5.0,5.0,3.24107142857143,11.0,5.0,2.9028 -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%2C1-2H3,13.0,20.0,52.6,0.5,76.823,6.0,88.0,256.171993255615,20.0,0.0,0.0,18.05,20.0,10.6875,4.0,10.0,6.54934601664685,12.0,4.0,3.6004 -InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3,5.0,9.0,0.0,0.111111111111111,40.531,6.0,40.0,108.098997116089,9.0,0.0,0.0,7.11111111111111,9.0,3.2396694214876,0.0,1.0,2.0,4.0,0.0,2.81 -InChI%3D1S%2FC14H17ClNO4PS2%2Fc1-3-19-21%2822%2C20-4-2%2923-12%289-15%2916-13%2817%2910-7-5-6-8-11%2810%2914%2816%2918%2Fh5-8%2C12H%2C3-4%2C9H2%2C1-2H3,10.0,24.0,123.04,0.333333333333333,94.5842,6.0,116.0,376.71799659729,24.0,1.0,0.0,19.3263888888889,23.0,8.39273356401384,7.0,8.0,4.15879017013232,9.0,7.0,4.4667 -InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,5.0,12.0,20.23,0.0,53.1568,6.0,60.0,265.329993247986,12.0,5.0,1.0,10.0833333333333,12.0,3.39506172839506,1.0,0.0,1.5625,4.0,1.0,4.6592 -InChI%3D1S%2FC19H23ClN2O2S%2Fc1-2-3-4-5-6-10-13-25-19%2823%2924-16-14-17%2820%2921-22-18%2816%2915-11-8-7-9-12-15%2Fh7-9%2C11-12%2C14H%2C2-6%2C10%2C13H2%2C1H3,16.0,26.0,77.38,0.423076923076923,104.336,12.0,116.0,355.740993499756,26.0,1.0,0.0,21.301775147929,25.0,12.3984375,5.0,11.0,8.04432132963989,15.0,5.0,6.3895 -InChI%3D1S%2FC17H21NO2%2Fc1-4-18%285-2%2917%2819%2913%283%2920-16-12-8-10-14-9-6-7-11-15%2814%2916%2Fh6-13H%2C4-5H2%2C1-3H3,10.0,21.0,29.54,0.285714285714286,81.966,11.0,98.0,250.191993713379,21.0,0.0,0.0,16.3718820861678,20.0,7.85204081632653,3.0,6.0,4.02337472607743,9.0,3.0,3.4755 -InChI%3D1S%2FC21H22ClNO4%2Fc1-25-19-8-5-16%2813-20%2819%2926-2%2918%2815-3-6-17%2822%297-4-15%2914-21%2824%2923-9-11-27-12-10-23%2Fh3-8%2C13-14H%2C9-12H2%2C1-2H3,12.0,29.0,48.0,0.206896551724138,103.2562,12.0,136.0,365.686990737915,29.0,1.0,0.0,21.7027348394768,27.0,10.6837606837607,5.0,6.0,5.75778546712803,11.0,5.0,3.5856 -InChI%3D1S%2FC15H22ClNO2%2Fc1-5-13-8-6-7-11%282%2915%2813%2917%2814%2818%299-16%2912%283%2910-19-4%2Fh6-8%2C12H%2C5%2C9-10H2%2C1-4H3,8.0,19.0,29.54,0.368421052631579,80.101,6.0,88.0,261.622993469238,19.0,1.0,0.0,17.0526315789474,19.0,8.3232,3.0,7.0,4.23140495867769,7.0,3.0,3.1641 -InChI%3D1S%2FC4H7Br2Cl2O4P%2Fc1-10-13%289%2C11-2%2912-3%285%294%286%2C7%298%2Fh3H%2C1-2H3,6.0,12.0,54.57,0.416666666666667,58.7885,0.0,60.0,373.727994918823,12.0,4.0,0.0,13.0,13.0,4.48148148148148,4.0,5.0,4.1522491349481,5.0,4.0,3.6512 -InChI%3D1S%2FC22H18Cl2FNO3%2Fc1-22%282%2915%2811-19%2823%2924%2920%2822%2921%2827%2929-18%2812-26%2913-8-9-16%2825%2917%2810-13%2928-14-6-4-3-5-7-14%2Fh3-11%2C15%2C18%2C20H%2C1-2H3,15.0,31.0,59.32,0.225806451612903,107.912,12.0,152.0,416.149989128113,31.0,3.0,0.0,23.6586888657648,29.0,10.08,4.0,7.0,5.43751795461074,14.0,4.0,6.31708 -InChI%3D1S%2FC13H13Cl2N3O3%2Fc1-7%282%2916-12%2820%2917-6-11%2819%2918%2813%2817%2921%2910-4-8%2814%293-9%2815%295-10%2Fh3-5%2C7H%2C6H2%2C1-2H3%2C%28H%2C16%2C20%29,10.0,22.0,73.21,0.136363636363636,75.8302,6.0,108.0,317.066992759705,22.0,2.0,1.0,17.3553719008264,21.0,7.05078125,6.0,3.0,4.05,9.0,6.0,3.0873 -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%2C1-5H3,9.0,19.0,95.37,0.368421052631579,79.249,6.0,90.0,283.183997154236,19.0,0.0,0.0,17.0526315789474,19.0,7.69526627218935,6.0,7.0,5.47919143876338,8.0,6.0,4.2353 -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-1,6.0,11.0,77.61,0.181818181818182,39.7501,0.0,52.0,166.136998176575,11.0,0.0,2.0,9.09090909090909,11.0,3.6,3.0,2.0,3.78698224852071,5.0,4.0,1.4497 -InChI%3D1S%2FC10H15OPS2%2Fc1-3-11-12%2813%2C4-2%2914-10-8-6-5-7-9-10%2Fh5-9H%2C3-4H2%2C1-2H3,8.0,14.0,76.43,0.357142857142857,68.977,6.0,64.0,231.217000007629,14.0,0.0,0.0,12.0714285714286,14.0,5.77777777777778,3.0,5.0,3.96,7.0,3.0,4.7952 -InChI%3D1S%2FC12H13NO2S%2Fc1-9-11%2816-8-7-15-9%2912%2814%2913-10-5-3-2-4-6-10%2Fh2-6H%2C7-8H2%2C1H3%2C%28H%2C13%2C14%29,9.0,17.0,67.12,0.117647058823529,67.2758,6.0,78.0,222.203996658325,17.0,0.0,1.0,12.4567474048443,16.0,6.07438016528926,4.0,2.0,3.49519890260631,8.0,4.0,3.2695 -InChI%3D1S%2FC19H22FN3O3%2Fc1-2-21-5-7-22%288-6-21%2917-10-16-13%289-15%2817%2920%2918%2824%2914%2819%2825%2926%2911-23%2816%2912-3-4-12%2Fh9-12H%2C2-8H2%2C1H3%2C%28H%2C25%2C26%29,13.0,29.0,69.81,0.137931034482759,91.3241,11.0,144.0,337.224991798401,29.0,1.0,2.0,19.3222354340071,26.0,7.78799351000541,3.0,4.0,3.56033324375168,12.0,5.0,1.198 -InChI%3D1S%2FC12H12N2%2Fc1-3-7-13-9-10-14-8-4-2-6-12%2814%2911%2813%295-1%2Fh1-8H%2C9-10H2,7.0,16.0,6.48,0.0,52.5584,0.0,76.0,172.14599609375,16.0,0.0,0.0,9.2421875,14.0,3.86776859504132,2.0,0.0,1.64828303850156,6.0,2.0,1.8584 -InChI%3D1S%2FC17H16Br2O3%2Fc1-11%282%2922-16%2820%2917%2821%2C12-3-7-14%2818%298-4-12%2913-5-9-15%2819%2910-6-13%2Fh3-11%2C21H%2C1-2H3,10.0,23.0,46.53,0.217391304347826,92.5108,12.0,112.0,411.991991996765,23.0,2.0,1.0,18.3402646502836,22.0,7.71349862258953,3.0,5.0,4.30839002267574,9.0,3.0,4.3991 -InChI%3D1S%2FC7H13O6P%2Fc1-6%285-7%288%2910-2%2913-14%289%2C11-3%2912-4%2Fh5H%2C1-4H3,8.0,13.0,80.87,0.461538461538462,48.4825,0.0,60.0,211.044996261597,13.0,0.0,0.0,14.0,14.0,6.47750865051903,6.0,6.0,5.48096885813149,7.0,6.0,1.4807 -InChI%3D1S%2FC15H31N3O2%2Fc1-14%2819%2920-13-11-9-7-5-3-2-4-6-8-10-12-18-15%2816%2917%2Fh2-13H2%2C1H3%2C%28H4%2C16%2C17%2C18%29,17.0,19.0,88.2,0.789473684210526,82.7198,0.0,78.0,254.183994293213,19.0,0.0,2.0,20.0,20.0,15.39,5.0,15.0,19.0588235294118,16.0,5.0,2.9336 -InChI%3D1S%2FC19H24O3%2Fc1-7-8-13-12%284%2916%2810-15%2813%2920%2922-18%2821%2917-14%289-11%282%293%2919%2817%2C5%296%2Fh1%2C9%2C14%2C16-17H%2C8%2C10H2%2C2-6H3,12.0,23.0,43.37,0.217391304347826,85.846,0.0,116.0,276.205992698669,23.0,0.0,0.0,18.3402646502836,22.0,6.85714285714286,3.0,5.0,3.44047080126754,11.0,3.0,3.4492 -InChI%3D1S%2FC19H20F3NO4%2Fc1-3-4-11-25-18%2824%2913%282%2926-15-6-8-16%289-7-15%2927-17-10-5-14%2812-23-17%2919%2820%2C21%2922%2Fh5-10%2C12-13H%2C3-4%2C11H2%2C1-2H3,18.0,28.0,57.65,0.357142857142857,91.712,12.0,132.0,363.205989837646,28.0,3.0,0.0,23.280612244898,27.0,11.2534626038781,5.0,10.0,8.09951325040563,17.0,5.0,5.0033 -InChI%3D1S%2FC15H15ClN4O6S%2Fc1-3-26-13%2821%299-6-4-5-7-10%289%2927%2823%2C24%2920-15%2822%2919-14-17-11%2816%298-12%2818-14%2925-2%2Fh4-8H%2C3H2%2C1-2H3%2C%28H2%2C17%2C18%2C19%2C20%2C22%29,14.0,28.0,148.45,0.285714285714286,96.082,12.0,134.0,399.706993103027,28.0,1.0,2.0,23.280612244898,27.0,10.6837606837607,10.0,8.0,6.77953825260299,13.0,10.0,2.9201 -InChI%3D1S%2FC14H15N5O6S%2Fc1-8-15-12%2818-14%2816-8%2925-3%2917-13%2821%2919-26%2822%2C23%2910-7-5-4-6-9%2810%2911%2820%2924-2%2Fh4-7H%2C1-3H3%2C%28H2%2C15%2C16%2C17%2C18%2C19%2C21%29,13.0,27.0,164.57,0.222222222222222,88.31,12.0,130.0,366.249994277954,27.0,0.0,2.0,22.2908093278464,26.0,9.97229916897507,10.0,6.0,6.26086956521739,12.0,10.0,1.1927 -InChI%3D1S%2FC12H14N2%2Fc13-8-9-14-12-7-3-5-10-4-1-2-6-11%2810%2912%2Fh1-7%2C14H%2C8-9%2C13H2,8.0,15.0,39.67,0.2,62.3268,11.0,68.0,172.14599609375,15.0,0.0,1.0,10.5155555555556,14.0,5.18559556786704,1.0,3.0,2.5344,7.0,1.0,1.4936 -InChI%3D1S%2FC19H14F3NO%2Fc1-23-11-16%2813-6-3-2-4-7-13%2918%2824%2917%2812-23%2914-8-5-9-15%2810-14%2919%2820%2C21%2922%2Fh2-12H%2C1H3,11.0,26.0,22.0,0.115384615384615,87.557,18.0,128.0,315.20899105072,26.0,3.0,0.0,18.7810650887574,24.0,7.70914127423823,1.0,3.0,4.41145833333333,10.0,2.0,4.7381 -InChI%3D1S%2FC15H11ClF3NO4%2Fc1-2-23-14-8-10%284-5-12%2814%2920%2821%2922%2924-13-6-3-9%287-11%2813%2916%2915%2817%2C18%2919%2Fh3-8H%2C2H2%2C1H3,12.0,25.0,64.28,0.24,82.961,12.0,122.0,350.614990234375,25.0,4.0,0.0,20.3136,24.0,8.5895061728395,4.0,6.0,5.49702541914548,11.0,2.0,5.9812 -InChI%3D1S%2FC7H4Cl3NO3%2Fc8-3-1-4%289%297%2811-6%283%2910%2914-2-5%2812%2913%2Fh1H%2C2H2%2C%28H%2C12%2C13%29,8.0,14.0,62.25,0.214285714285714,50.4555,6.0,66.0,252.439993858337,14.0,3.0,1.0,12.0714285714286,14.0,5.18559556786704,3.0,3.0,3.59183673469388,7.0,4.0,1.1705 -InChI%3D1S%2FC6H8O6%2Fc7-1-2%288%295-3%289%294%2810%296%2811%2912-5%2Fh2%2C5%2C7-10H%2C1H2,6.0,12.0,107.22,0.166666666666667,35.2562,0.0,58.0,168.059995651245,12.0,0.0,4.0,10.0833333333333,12.0,3.80622837370242,6.0,2.0,1.8595041322314,5.0,6.0,-1.4074 -InChI%3D1S%2FC7H7NO2%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H%2C9%2C10%29,5.0,10.0,66.15,0.1,35.8714,6.0,46.0,130.081996917725,10.0,0.0,1.0,8.1,10.0,3.40828402366864,2.0,1.0,1.99111111111111,4.0,3.0,-0.3677 -InChI%3D1S%2FC14H16F3N3O4%2Fc1-2-5-18%288-9-3-4-9%2913-11%2819%2821%2922%296-10%2814%2815%2C16%2917%297-12%2813%2920%2823%2924%2Fh6-7%2C9H%2C2-5%2C8H2%2C1H3,9.0,25.0,94.88,0.32,84.316,6.0,124.0,331.164991378784,25.0,3.0,0.0,20.3136,24.0,8.13148283418554,5.0,8.0,4.80340264650284,8.0,1.0,5.1946 -InChI%3D1S%2FC7H5Cl2FN2O3%2Fc8-3-5%2811%294%289%297%2812-6%283%2910%2915-1-2%2813%2914%2Fh1H2%2C%28H2%2C11%2C12%29%28H%2C13%2C14%29,8.0,15.0,88.27,0.2,49.8159,6.0,72.0,249.991993904114,15.0,3.0,1.0,13.0666666666667,15.0,5.36507936507936,4.0,3.0,3.2256,7.0,5.0,0.2384 -InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,5.0,8.0,26.02,0.0,35.8644,6.0,36.0,121.525997161865,8.0,1.0,0.0,6.125,8.0,2.52,1.0,0.0,1.8,4.0,1.0,1.9222 -InChI%3D1S%2FC2I4%2Fc3-1%284%292%285%296,3.0,5.0,0.0,0.0,63.106,0.0,22.0,531.637996673584,5.0,4.0,0.0,6.0,6.0,2.22222222222222,0.0,0.0,3.0,2.0,0.0,3.853 -InChI%3D1S%2FC12H14O3%2Fc1-3-14-11%2813%2910-12%282%2C15-10%299-7-5-4-6-8-9%2Fh4-8%2C10H%2C3H2%2C1-2H3,9.0,16.0,38.83,0.25,55.3,6.0,78.0,192.128994941711,16.0,0.0,0.0,11.484375,15.0,4.47258979206049,3.0,4.0,1.96875,8.0,3.0,1.8637 -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%2C25-26%2C30-32H%2C7%2C23H2%2C1-3H3,11.0,35.0,182.82,0.0285714285714286,111.3691,6.0,186.0,420.247989654541,35.0,0.0,6.0,25.1036734693878,32.0,8.29369797859691,9.0,1.0,3.37035123966942,10.0,9.0,-1.7881 -InChI%3D1S%2FC2H7O3P%2Fc1-2-5-6%283%294%2Fh6H%2C2H2%2C1H3%2C%28H%2C3%2C4%29,4.0,5.0,80.67,0.4,21.4513,0.0,20.0,102.992999076843,5.0,0.0,1.0,6.0,6.0,3.2,4.0,2.0,5.33333333333333,3.0,3.0,0.6726 -InChI%3D1S%2FC9H19NOS%2Fc1-4-7-10%288-5-2%299%2811%2912-6-3%2Fh4-8H2%2C1-3H3,7.0,11.0,45.61,0.636363636363636,55.683,0.0,46.0,170.171998023987,11.0,0.0,0.0,12.0,12.0,7.63888888888889,3.0,7.0,5.32544378698225,6.0,3.0,2.9815 -InChI%3D1S%2FC13H16F3N3O4%2Fc1-7%282%2917%288%283%294%2912-10%2818%2820%2921%295-9%2813%2814%2C15%2916%296-11%2812%2919%2822%2923%2Fh5-8H%2C1-4H3,8.0,23.0,94.88,0.260869565217391,81.839,6.0,116.0,319.153991699219,23.0,3.0,0.0,21.0434782608696,23.0,7.92,5.0,6.0,4.98866213151927,7.0,1.0,5.1914 -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,10.0,20.0,0.0,0.15,85.037,12.0,98.0,345.418991088867,20.0,5.0,0.0,15.39,19.0,6.18549346016647,0.0,3.0,3.98615916955017,9.0,0.0,6.4955 -InChI%3D1S%2FC10H12N2O3S%2Fc1-7%282%2912-10%2813%298-5-3-4-6-9%288%2911-16%2812%2C14%2915%2Fh3-7%2C11H%2C1-2H3,7.0,17.0,74.86,0.0588235294117647,54.7336,6.0,86.0,228.187996864319,17.0,0.0,1.0,12.4567474048443,16.0,4.3491124260355,5.0,1.0,2.20415224913495,6.0,5.0,2.3642 -InChI%3D1S%2FC23H26O3%2Fc1-16%282%2913-20-21%2823%2820%2C3%294%2922%2824%2925-15-17-9-8-12-19%2814-17%2926-18-10-6-5-7-11-18%2Fh5-14%2C20-21H%2C15H2%2C1-4H3,15.0,28.0,35.53,0.25,102.946,12.0,136.0,324.249991416931,28.0,0.0,0.0,20.7270408163265,26.0,9.0,3.0,7.0,5.09342560553633,14.0,3.0,5.76050000000001 -InChI%3D1S%2FC9H9N3O2%2Fc1-14-9%2813%2912-8-10-6-4-2-3-5-7%286%2911-8%2Fh2-5H%2C1H3%2C%28H2%2C10%2C11%2C12%2C13%29,8.0,15.0,70.5,0.133333333333333,52.8265,10.0,70.0,182.11799621582,15.0,0.0,2.0,10.5155555555556,14.0,4.68,4.0,2.0,2.5344,7.0,4.0,1.7548 -InChI%3D1S%2FC12H12ClN5O4S%2Fc1-7-14-10%2817-12%2815-7%2922-2%2916-11%2819%2918-23%2820%2C21%299-6-4-3-5-8%289%2913%2Fh3-6H%2C1-2H3%2C%28H2%2C14%2C15%2C16%2C17%2C18%2C19%29,12.0,24.0,138.27,0.166666666666667,81.9805,12.0,116.0,345.682994842529,24.0,1.0,2.0,19.3263888888889,23.0,8.39273356401384,8.0,4.0,5.5,11.0,8.0,2.0595 -InChI%3D1S%2FC10H12O3%2Fc1-2-7-13-10%2812%298-3-5-9%2811%296-4-8%2Fh3-6%2C11H%2C2%2C7H2%2C1H3,9.0,13.0,46.53,0.307692307692308,48.6803,6.0,58.0,168.106995582581,13.0,0.0,1.0,11.0769230769231,13.0,5.671875,3.0,4.0,3.7037037037037,8.0,3.0,1.959 -InChI%3D1S%2FCCl3F%2Fc2-1%283%2C4%295,2.0,4.0,0.0,0.0,21.398,0.0,20.0,137.36799621582,4.0,4.0,0.0,5.0,5.0,1.0,0.0,0.0,0.0,1.0,0.0,2.2836 -InChI%3D1S%2FC10H11F3N2O%2Fc1-15%282%299%2816%2914-8-5-3-4-7%286-8%2910%2811%2C12%2913%2Fh3-6H%2C1-2H3%2C%28H%2C14%2C16%29,8.0,16.0,35.83,0.1875,54.8548,6.0,78.0,221.116993904114,16.0,3.0,1.0,14.0625,16.0,5.55765595463138,3.0,3.0,4.42361111111111,7.0,3.0,2.8125 -InChI%3D1S%2FC48H72O14%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%2C17-19%2C25-26%2C28%2C30-31%2C33-45%2C49-50%2C52H%2C11%2C16%2C20-24H2%2C1-10H3%2Ft25-%2C26-%2C28-%2C30-%2C31-%2C33%2B%2C34-%2C35-%2C36-%2C37-%2C38-%2C39-%2C40%2B%2C41-%2C42-%2C43%2B%2C44-%2C45%3F%2C47%2B%2C48%3F%2Fm0%2Fs1,22.0,68.0,170.06,0.117647058823529,227.3054,0.0,340.0,800.51397895813,68.0,0.0,3.0,49.8923010380623,62.0,21.1072664359862,14.0,8.0,10.6835672249887,21.0,14.0,5.3774 -InChI%3D1S%2FC8H19O2PS2%2Fc1-4-7-12-11%289%2C10-6-3%2913-8-5-2%2Fh4-8H2%2C1-3H3,8.0,12.0,86.71,0.666666666666667,64.7305,0.0,52.0,223.194000244141,12.0,0.0,0.0,13.0,13.0,7.40816326530612,4.0,8.0,6.12244897959184,7.0,4.0,4.4174 -InChI%3D1S%2FC12H6F2N2O2%2Fc13-12%2814%2917-10-3-1-2-8%2811%2810%2918-12%299-6-16-5-7%289%294-15%2Fh1-3%2C5-6%2C16H,8.0,20.0,58.04,0.05,57.1467,11.0,100.0,242.139993667603,20.0,2.0,1.0,13.005,18.0,4.83555555555556,3.0,1.0,2.4,7.0,3.0,2.87488 -InChI%3D1S%2FC4H10NO3PS%2Fc1-4%286%295-9%287%2C8-2%2910-3%2Fh1-3H3%2C%28H%2C5%2C6%2C7%29,5.0,9.0,94.0,0.333333333333333,43.8683,0.0,42.0,173.08899974823,9.0,0.0,1.0,10.0,10.0,4.0,5.0,3.0,3.70247933884298,4.0,5.0,2.0803 -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%29,12.0,25.0,95.18,0.2,76.809,12.0,124.0,354.602990150452,25.0,4.0,1.0,20.3136,24.0,8.13148283418554,4.0,5.0,5.25,11.0,3.0,3.946 -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%29,8.0,16.0,41.82,0.125,60.5638,11.0,74.0,190.136995315552,16.0,0.0,1.0,11.484375,15.0,5.36507936507936,3.0,2.0,2.76543209876543,7.0,3.0,2.7624 -InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H,4.0,7.0,0.0,0.0,31.452,6.0,30.0,107.518997192383,7.0,1.0,0.0,5.14285714285714,7.0,2.34375,0.0,0.0,1.5,3.0,0.0,2.34 -InChI%3D1S%2FC24H40O3%2Fc1-15%284-9-22%2826%2927%2919-7-8-20-18-6-5-16-14-17%2825%2910-12-23%2816%2C2%2921%2818%2911-13-24%2819%2C20%293%2Fh15-21%2C25H%2C4-14H2%2C1-3H3%2C%28H%2C26%2C27%29,14.0,30.0,60.36,0.133333333333333,105.3153,0.0,154.0,336.260991096497,30.0,0.0,2.0,20.28,27.0,7.35626980534178,2.0,4.0,3.33615504566719,13.0,3.0,4.1724 -InChI%3D1S%2FC19H18ClN3O4%2Fc1-25-19%2824%2923%2826-2%2917-6-4-3-5-14%2817%2913-27-18-11-12-22%2821-18%2916-9-7-15%2820%298-10-16%2Fh3-12H%2C13H2%2C1-2H3,15.0,29.0,65.82,0.275862068965517,101.241,17.0,136.0,369.678991317749,29.0,1.0,0.0,21.7027348394768,27.0,10.6837606837607,6.0,8.0,5.75778546712803,14.0,7.0,4.2389 -InChI%3D1S%2FC4H8Cl3O4P%2Fc1-10-12%289%2C11-2%293%288%294%285%2C6%297%2Fh3%2C8H%2C1-2H3,5.0,11.0,65.57,0.363636363636364,47.9213,0.0,56.0,249.372995376587,11.0,3.0,1.0,12.0,12.0,3.80622837370242,4.0,4.0,2.77777777777778,4.0,4.0,2.1609 -InChI%3D1S%2FC14H18N4O3%2Fc1-3-4-9-15-13%2819%2918-11-8-6-5-7-10%2811%2916-12%2818%2917-14%2820%2921-2%2Fh5-8H%2C3-4%2C9H2%2C1-2H3%2C%28H%2C15%2C19%29%28H%2C16%2C17%2C20%29,11.0,22.0,92.23,0.272727272727273,81.7026,10.0,102.0,272.178994178772,22.0,0.0,2.0,17.3553719008264,21.0,8.58501783590963,6.0,6.0,4.48753462603878,10.0,7.0,2.7904 -InChI%3D1S%2FC12H13ClF3N3O4%2Fc1-2-4-17%285-3-13%2911-9%2818%2820%2921%296-8%2812%2814%2C15%2916%297-10%2811%2919%2822%2923%2Fh6-7H%2C2-5H2%2C1H3,9.0,23.0,94.88,0.347826086956522,82.312,6.0,112.0,342.595991134644,23.0,4.0,0.0,21.0434782608696,23.0,8.90909090909091,5.0,8.0,5.5,8.0,1.0,5.0234 -InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3,5.0,10.0,26.02,0.0,45.0654,6.0,48.0,122.105997085571,10.0,0.0,0.0,8.1,10.0,2.93877551020408,1.0,0.0,1.75,4.0,1.0,2.194 -InChI%3D1S%2FCCl2F2%2Fc2-1%283%2C4%295,2.0,4.0,0.0,0.0,16.653,0.0,20.0,120.912996292114,4.0,4.0,0.0,5.0,5.0,1.0,0.0,0.0,0.0,1.0,0.0,2.0143 -InChI%3D1S%2FC17H12Cl2N2O%2Fc18-14-7-5-12%286-8-14%2917%2822%2C13-9-20-11-21-10-13%2915-3-1-2-4-16%2815%2919%2Fh1-11%2C22H,9.0,24.0,46.01,0.125,87.0368,18.0,116.0,319.1059923172,24.0,2.0,1.0,16.84375,22.0,7.26643598615917,3.0,3.0,3.44047080126754,8.0,3.0,4.0676 -InChI%3D1S%2FC12H14ClNO2%2Fc1-12%282%298-16-14%2811%2812%2915%297-9-5-3-4-6-10%289%2913%2Fh3-6H%2C7-8H2%2C1-2H3,8.0,17.0,29.54,0.117647058823529,59.5152,6.0,84.0,225.589994430542,17.0,1.0,0.0,12.4567474048443,16.0,4.704,3.0,2.0,2.65140478668054,7.0,3.0,2.5779 -InChI%3D1S%2FC19H20FN3O3%2Fc1-21-7-12-4-11%2821%298-22%2812%2917-6-16-13%285-15%2817%2920%2918%2824%2914%2819%2825%2926%299-23%2816%2910-2-3-10%2Fh5-6%2C9-12H%2C2-4%2C7-8H2%2C1H3%2C%28H%2C25%2C26%29,12.0,30.0,69.81,0.1,89.1661,11.0,154.0,337.224991798401,30.0,1.0,2.0,18.0555555555556,26.0,6.51878678134903,3.0,3.0,2.78260869565217,11.0,5.0,0.948800000000001 -InChI%3D1S%2FC17H17N2%2Fc1-18-16%2814-9-5-3-6-10-14%2913-17%2819%2818%292%2915-11-7-4-8-12-15%2Fh3-13H%2C1-2H3,10.0,21.0,6.48,0.0952380952380952,74.6884,12.0,100.0,232.200994491577,21.0,0.0,0.0,13.9591836734694,19.0,6.18549346016647,2.0,2.0,2.88,9.0,2.0,3.4368 -InChI%3D1S%2FC10H12O5%2Fc1-2-3-15-10%2814%296-4-7%2811%299%2813%298%2812%295-6%2Fh4-5%2C11-13H%2C2-3H2%2C1H3,9.0,15.0,86.99,0.266666666666667,52.0099,6.0,70.0,200.104994773865,15.0,0.0,3.0,13.0666666666667,15.0,5.915,5.0,4.0,3.5,8.0,5.0,1.3702 -InChI%3D1S%2FC8H10NO5PS%2Fc1-12-15%2816%2C13-2%2914-8-5-3-7%284-6-8%299%2810%2911%2Fh3-6H%2C1-2H3,9.0,16.0,115.41,0.3125,64.421,6.0,76.0,253.130997657776,16.0,0.0,0.0,14.0625,16.0,6.07438016528926,6.0,5.0,4.0768,8.0,4.0,3.6647 -InChI%3D1S%2FC16H13ClF3NO4%2Fc1-9%2815%2822%2923-2%2924-11-3-5-12%286-4-11%2925-14-13%2817%297-10%288-21-14%2916%2818%2C19%2920%2Fh3-9H%2C1-2H3,15.0,26.0,57.65,0.269230769230769,82.871,12.0,126.0,362.62598991394,26.0,4.0,0.0,21.301775147929,25.0,9.27392257121987,5.0,7.0,6.2823147647377,14.0,5.0,4.4864 -InChI%3D1S%2FC10H6Cl4O4%2Fc1-17-9%2815%293-5%2811%297%2813%294%2810%2816%2918-2%298%2814%296%283%2912%2Fh1-2H3,9.0,18.0,52.6,0.222222222222222,69.161,6.0,88.0,325.917991638184,18.0,4.0,0.0,16.0555555555556,18.0,6.43786982248521,4.0,4.0,2.96296296296296,8.0,4.0,3.8734 -InChI%3D1S%2FC8H11NO2%2Fc9-5-8%2811%296-1-3-7%2810%294-2-6%2Fh1-4%2C8%2C10-11H%2C5%2C9H2,7.0,11.0,68.1,0.181818181818182,42.9557,6.0,50.0,142.09299659729,11.0,0.0,2.0,9.09090909090909,11.0,4.13265306122449,2.0,2.0,2.5,6.0,2.0,-0.3325 -InChI%3D1S%2FC15H14O2%2Fc1-2-6-12%287-3-1%2914-8-4-5-9-15%2814%2917-11-13-10-16-13%2Fh1-9%2C13H%2C10-11H2,9.0,19.0,21.76,0.210526315789474,67.113,12.0,88.0,212.162994384766,19.0,0.0,0.0,12.0554016620499,17.0,5.76,2.0,4.0,2.87970615243343,8.0,2.0,3.1312 -InChI%3D1S%2FC7H8N2O2%2Fc1-5-2-3-6%289%2810%2911%294-7%285%298%2Fh2-4H%2C8H2%2C1H3,6.0,11.0,71.84,0.0909090909090909,44.4134,6.0,52.0,144.088996887207,11.0,0.0,0.0,9.09090909090909,11.0,3.6,3.0,1.0,2.21453287197232,5.0,1.0,2.0086 -InChI%3D1S%2FC12H15ClNO4PS2%2Fc1-3-16-19%2820%2C17-4-2%2921-8-14-10-6-5-9%2813%297-11%2810%2918-12%2814%2915%2Fh5-7H%2C3-4%2C8H2%2C1-2H3,11.0,22.0,120.8,0.318181818181818,90.838,10.0,106.0,352.695997238159,22.0,1.0,0.0,17.3553719008264,21.0,7.51300728407908,5.0,7.0,4.2603550295858,10.0,7.0,4.8867 -InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5%2C9H%2C1H3,7.0,11.0,46.53,0.181818181818182,39.4463,6.0,50.0,144.08499622345,11.0,0.0,1.0,9.09090909090909,11.0,4.13265306122449,3.0,2.0,2.5,6.0,3.0,1.1788 -InChI%3D1S%2FC15H24NO4PS%2Fc1-6-18-21%2822%2C16-11%282%293%2920-14-10-8-7-9-13%2814%2915%2817%2919-12%284%295%2Fh7-12H%2C6H2%2C1-5H3%2C%28H%2C16%2C22%29,10.0,22.0,98.69,0.409090909090909,92.0302,6.0,104.0,321.208995819092,22.0,0.0,1.0,20.0454545454545,22.0,9.33333333333333,6.0,9.0,6.97887970615243,9.0,6.0,4.5402 -InChI%3D1S%2FC11H18N4O2%2Fc1-7-8%282%2912-10%2814%283%294%2913-9%287%2917-11%2816%2915%285%296%2Fh1-6H3,8.0,17.0,58.56,0.235294117647059,65.544,6.0,82.0,220.146995544434,17.0,0.0,0.0,15.0588235294118,17.0,6.25,6.0,4.0,4.0,7.0,6.0,1.2198 -InChI%3D1S%2FC24H46O6%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22%2827%2929-19-21%2826%2924-23%2828%2920%2825%2918-30-24%2Fh20-21%2C23-26%2C28H%2C2-19H2%2C1H3,24.0,30.0,96.22,0.666666666666667,118.2654,0.0,130.0,384.257989883423,30.0,0.0,3.0,28.0333333333333,30.0,18.56,6.0,20.0,13.9171597633136,23.0,6.0,4.27260000000001 -InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3,5.0,10.0,63.64,0.1,36.767,5.0,48.0,134.073997497559,10.0,0.0,0.0,8.1,10.0,2.93877551020408,3.0,1.0,1.55017301038062,4.0,2.0,1.1599 -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%29,7.0,14.0,55.12,0.142857142857143,57.6008,6.0,68.0,248.014995574951,14.0,1.0,1.0,12.0714285714286,14.0,4.68,3.0,2.0,2.34319526627219,6.0,4.0,1.9908 -InChI%3D1S%2FC22H19Br4NO3%2Fc1-21%282%2917%2819%2823%2922%2824%2C25%2926%2918%2821%2920%2828%2930-16%2812-27%2913-7-6-10-15%2811-13%2929-14-8-4-3-5-9-14%2Fh3-11%2C16-19H%2C1-2H3,15.0,32.0,59.32,0.25,130.392,12.0,160.0,645.861989021301,32.0,4.0,0.0,24.638671875,30.0,9.86805555555556,4.0,8.0,5.50676378772112,14.0,4.0,7.46098 -InChI%3D1S%2FC9H10ClN5O2%2Fc10-8-2-1-7%285-12-8%296-14-4-3-11-9%2814%2913-15%2816%2917%2Fh1-2%2C5H%2C3-4%2C6H2%2C%28H%2C11%2C13%29,10.0,18.0,86.34,0.222222222222222,59.2281,6.0,84.0,245.584995269775,18.0,1.0,1.0,13.4320987654321,17.0,6.25,6.0,4.0,4.0,9.0,4.0,0.5846 -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,6.0,25.0,0.0,0.0,92.452,0.0,164.0,510.092987060547,25.0,11.0,0.0,13.44,21.0,2.22222222222222,0.0,0.0,0.473372781065089,5.0,0.0,5.8616 -InChI%3D1S%2FC12H16N3O3PS%2Fc1-3-16-19%2820%2C17-4-2%2918-12-13-10-15%2814-12%2911-8-6-5-7-9-11%2Fh5-10H%2C3-4H2%2C1-2H3,11.0,21.0,100.3,0.333333333333333,79.75,11.0,98.0,297.190997123718,21.0,0.0,0.0,16.3718820861678,20.0,7.85204081632653,6.0,7.0,4.76470588235294,10.0,7.0,3.5942 -InChI%3D1S%2FC8Cl4N2%2Fc9-5-3%281-13%296%2810%298%2812%297%2811%294%285%292-14,6.0,14.0,47.58,0.0,55.912,6.0,68.0,265.913993835449,14.0,4.0,0.0,12.0714285714286,14.0,4.68,2.0,0.0,2.02040816326531,5.0,2.0,4.04356 -InChI%3D1S%2FC9H18N2O2S%2Fc1-9%282%2C3%297%286-14-5%2911-13-8%2812%2910-4%2Fh6H2%2C1-5H3%2C%28H%2C10%2C12%29,8.0,13.0,79.48,0.384615384615385,62.3448,0.0,60.0,200.177997589111,13.0,0.0,1.0,14.0,14.0,6.47750865051903,5.0,5.0,6.1875,7.0,5.0,2.3119 -InChI%3D1S%2FC16H15F2N3Si%2Fc1-22%2812-21-11-19-10-20-21%2C15-6-2-13%2817%293-7-15%2916-8-4-14%2818%295-9-16%2Fh2-11H%2C12H2%2C1H3,10.0,24.0,30.71,0.166666666666667,77.7782,17.0,116.0,300.278993606567,24.0,2.0,0.0,16.84375,22.0,7.26643598615917,3.0,4.0,3.92561983471074,9.0,3.0,2.2549 -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%2C1H2,6.0,20.0,0.0,0.0,81.216,0.0,114.0,403.733989715576,20.0,8.0,0.0,13.005,18.0,3.17896274653031,0.0,0.0,0.998959417273673,5.0,0.0,5.6828 -InChI%3D1S%2FC9H4Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-4H,7.0,17.0,62.68,0.117647058823529,62.6032,6.0,86.0,292.5299949646,17.0,3.0,0.0,12.4567474048443,16.0,4.3491124260355,4.0,2.0,2.48828125,6.0,4.0,3.1964 -InChI%3D1S%2FC6H10O%2Fc7-6-4-2-1-3-5-6%2Fh1-5H2,4.0,7.0,17.07,0.0,28.092,0.0,30.0,88.0649976730347,7.0,0.0,0.0,5.14285714285714,7.0,2.34375,1.0,0.0,1.5,3.0,1.0,1.5196 -InChI%3D1S%2FC17H12ClFN2O%2Fc18-16-4-2-1-3-15%2816%2917%2822%2C13-9-20-11-21-10-13%2912-5-7-14%2819%298-6-12%2Fh1-11%2C22H,9.0,24.0,46.01,0.125,81.9848,18.0,116.0,302.650992393494,24.0,2.0,1.0,16.84375,22.0,7.26643598615917,3.0,3.0,3.44047080126754,8.0,3.0,3.5533 -InChI%3D1S%2FC15H16Cl3N3O2%2Fc1-2-4-20%2815%2822%2921-5-3-19-10-21%296-7-23-14-12%2817%298-11%2816%299-13%2814%2918%2Fh3%2C5%2C8-10H%2C2%2C4%2C6-7H2%2C1H3,12.0,24.0,47.36,0.333333333333333,91.852,11.0,112.0,360.542991638184,24.0,3.0,0.0,19.3263888888889,23.0,9.474609375,4.0,8.0,5.5,11.0,5.0,4.6024 -InChI%3D1S%2FC22H17N3O5%2Fc1-27-13-17%2822%2826%2928-2%2916-8-4-6-10-19%2816%2930-21-11-20%2824-14-25-21%2929-18-9-5-3-7-15%2818%2912-23%2Fh3-11%2C13-14H%2C1-2H3,14.0,32.0,103.56,0.25,106.781,18.0,148.0,386.257990837097,32.0,0.0,0.0,24.638671875,30.0,12.8888888888889,8.0,8.0,6.99768595041322,13.0,8.0,4.09318 -InChI%3D1S%2FC15H17Cl2N3O%2Fc1-15%282%2C3%2914%2821%2913%2820-9-18-8-19-20%296-10-4-5-11%2816%297-12%2810%2917%2Fh4-9%2C14%2C21H%2C1-3H3,9.0,22.0,50.94,0.181818181818182,86.1128,11.0,108.0,309.090992927551,22.0,2.0,1.0,17.3553719008264,21.0,7.05078125,3.0,4.0,4.48753462603878,8.0,4.0,3.99 -InChI%3D1S%2FC6H3Cl3N2O2%2Fc7-1-3%2810%292%288%295%289%2911-4%281%296%2812%2913%2Fh%28H2%2C10%2C11%29%28H%2C12%2C13%29,6.0,13.0,79.04,0.0769230769230769,48.6964,6.0,64.0,238.436994552612,13.0,3.0,1.0,11.0769230769231,13.0,4.02216066481994,3.0,1.0,2.08333333333333,5.0,4.0,0.9875 -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%2C3-4H2,7.0,17.0,62.68,0.117647058823529,62.8682,0.0,86.0,292.5299949646,17.0,3.0,0.0,12.4567474048443,16.0,4.3491124260355,4.0,2.0,2.48828125,6.0,4.0,2.8514 -InChI%3D1S%2FC21H28O2%2Fc1-13%282%2917-11-15%287-9-19%2817%2922%2921%285%2C6%2916-8-10-20%2823%2918%2812-16%2914%283%294%2Fh7-14%2C22-23H%2C1-6H3,10.0,24.0,40.46,0.166666666666667,96.5196,12.0,120.0,284.228992462158,24.0,0.0,2.0,19.3263888888889,23.0,7.48611111111111,2.0,4.0,4.15879017013232,9.0,2.0,5.6705 -InChI%3D1S%2FC24H17N5O7%2Fc1-36-21-10-9-17%2829%2834%2935%2913-20%2821%2926-27-22-18-8-3-2-5-14%2818%2911-19%2823%2822%2930%2924%2831%2925-15-6-4-7-16%2812-15%2928%2832%2933%2Fh2-13%2C30H%2C1H3%2C%28H%2C25%2C31%29,16.0,39.0,178.41,0.179487179487179,135.6946,23.0,188.0,470.291989326477,39.0,0.0,2.0,28.9940828402367,36.0,13.3752066115702,10.0,7.0,7.15856633514731,15.0,6.0,7.4685 -InChI%3D1S%2FC14H17Cl2N3O%2Fc1-2-3-6-14%2820%2C8-19-10-17-9-18-19%2912-5-4-11%2815%297-13%2812%2916%2Fh4-5%2C7%2C9-10%2C20H%2C2-3%2C6%2C8H2%2C1H3,9.0,21.0,50.94,0.285714285714286,79.9058,11.0,100.0,297.079993247986,21.0,2.0,1.0,16.3718820861678,20.0,7.31985731272295,3.0,6.0,4.25,8.0,4.0,3.6629 -InChI%3D1S%2FC10H13ClO%2Fc1-10%282%2C3%297-4-5-9%2812%298%2811%296-7%2Fh4-6%2C12H%2C1-3H3,6.0,12.0,20.23,0.0833333333333333,51.8168,6.0,60.0,171.561995506287,12.0,1.0,1.0,10.0833333333333,12.0,3.39506172839506,1.0,1.0,2.49307479224377,5.0,1.0,3.3431 -InChI%3D1S%2FC12H14O4%2Fc1-3-15-11%2813%299-7-5-6-8-10%289%2912%2814%2916-4-2%2Fh5-8H%2C3-4H2%2C1-2H3,9.0,16.0,52.6,0.375,58.355,6.0,72.0,208.127994537354,16.0,0.0,0.0,14.0625,16.0,7.35,4.0,6.0,4.0768,8.0,4.0,2.04 -InChI%3D1S%2FC8H5Cl3O3%2Fc9-4-1-6%2811%297%282-5%284%2910%2914-3-8%2812%2913%2Fh1-2H%2C3H2%2C%28H%2C12%2C13%29,8.0,14.0,49.36,0.214285714285714,52.6605,6.0,66.0,250.44399356842,14.0,3.0,1.0,12.0714285714286,14.0,5.18559556786704,2.0,3.0,3.59183673469388,7.0,3.0,1.7755 -InChI%3D1S%2FC5H13ClN%2Fc1-7%282%2C3%295-4-6%2Fh4-5H2%2C1-3H3,4.0,6.0,0.0,0.333333333333333,33.6194,0.0,28.0,109.5149974823,6.0,1.0,0.0,7.0,7.0,2.34375,0.0,2.0,6.0,3.0,0.0,0.9314 -InChI%3D1S%2FC9H9ClO3%2Fc1-6%289%2811%2912%2913-8-4-2-3-7%2810%295-8%2Fh2-6H%2C1H3%2C%28H%2C11%2C12%29,7.0,13.0,49.36,0.230769230769231,47.2355,6.0,60.0,191.548995018005,13.0,1.0,1.0,11.0769230769231,13.0,5.0242214532872,2.0,3.0,3.7037037037037,6.0,3.0,0.857199999999999 -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%29,8.0,17.0,51.05,0.117647058823529,61.4688,6.0,84.0,206.135994911194,17.0,0.0,1.0,12.4567474048443,16.0,4.704,4.0,2.0,2.83111111111111,7.0,4.0,2.3227 -InChI%3D1S%2FC16H17NO%2Fc1-17%282%2916%2818%2915%2813-9-5-3-6-10-13%2914-11-7-4-8-12-14%2Fh3-12%2C15H%2C1-2H3,8.0,19.0,20.31,0.210526315789474,73.421,12.0,88.0,222.181994438171,19.0,0.0,0.0,14.409972299169,18.0,6.9632,2.0,4.0,3.75,7.0,2.0,2.9067 -InChI%3D1S%2FC9H13N%2Fc1-8%2810%297-9-5-3-2-4-6-9%2Fh2-6%2C8H%2C7%2C10H2%2C1H3,6.0,10.0,27.64,0.2,44.6301,6.0,44.0,122.105997085571,10.0,0.0,0.0,8.1,10.0,4.0,0.0,2.0,3.11111111111111,5.0,0.0,0.8595 -InChI%3D1S%2FC31H42O2%2Fc1-24%2814-9-10-15-25%282%2918-12-19-28%285%2930%2832%2933-8%2916-11-17-26%283%2921-22-29-27%284%2920-13-23-31%2829%2C6%297%2Fh9-12%2C14-19%2C21-22H%2C13%2C20%2C23H2%2C1-8H3,22.0,33.0,26.3,0.303030303030303,143.936,0.0,152.0,404.338989257812,33.0,0.0,0.0,31.030303030303,33.0,16.6316928069227,2.0,10.0,13.0375735626981,21.0,2.0,8.696 -InChI%3D1S%2FC7H5NO3S%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%2Fh1-4H%2C%28H%2C8%2C9%29,5.0,13.0,75.11,0.0,40.029,6.0,66.0,178.14799785614,13.0,0.0,1.0,8.59171597633136,12.0,2.75,4.0,0.0,1.33136094674556,4.0,4.0,1.2099 -InChI%3D1S%2FC8H6Cl2O3%2Fc1-13-7-5%2810%293-2-4%289%296%287%298%2811%2912%2Fh2-3H%2C1H3%2C%28H%2C11%2C12%29,5.0,13.0,49.36,0.153846153846154,48.031,6.0,62.0,214.99099445343,13.0,2.0,1.0,11.0769230769231,13.0,4.48148148148148,2.0,2.0,2.26843100189036,4.0,3.0,1.3655 -InChI%3D1S%2FC17H27NO3S%2Fc1-3-6-14%2818-21-4-2%2917-15%2819%299-13%2810-16%2817%2920%2912-7-5-8-22-11-12%2Fh12-13%2C18H%2C3-11H2%2C1-2H3,12.0,23.0,80.7,0.260869565217391,89.4827,0.0,106.0,298.257994651794,23.0,0.0,1.0,18.3402646502836,22.0,9.33333333333333,5.0,6.0,4.99671268902038,11.0,5.0,3.2731 -InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-4%288%296-5-3%2Fh1-2H%2C%28H%2C5%2C7%29%28H%2C6%2C8%29,5.0,8.0,66.24,0.0,25.3616,6.0,36.0,108.055997848511,8.0,0.0,2.0,6.125,8.0,2.52,4.0,0.0,1.8,4.0,4.0,-0.1122 -InChI%3D1S%2FC14H19NO%2Fc1-5-16-11-6-7-13-12%288-11%2910%282%299-14%283%2C4%2915-13%2Fh6-9%2C15H%2C5H2%2C1-4H3,9.0,17.0,21.26,0.117647058823529,65.5829,6.0,84.0,198.159995079041,17.0,0.0,1.0,12.4567474048443,16.0,4.704,2.0,2.0,2.83111111111111,8.0,2.0,3.8307 -InChI%3D1S%2FC14H7ClF3NO5.Na%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%3B%2Fh1-6H%2C%28H%2C20%2C21%29%3B%2Fq%3B%2B1%2Fp-1,12.0,25.0,95.18,0.2,76.809,12.0,124.0,354.602990150452,25.0,4.0,1.0,20.3136,24.0,8.13148283418554,4.0,5.0,5.25,11.0,3.0,3.946 -InChI%3D1S%2FC12H9ClF3N3O%2Fc1-17-9-6-18-19%2811%2820%2910%289%2913%298-4-2-3-7%285-8%2912%2814%2C15%2916%2Fh2-6%2C17H%2C1H3,10.0,21.0,46.92,0.142857142857143,69.3927,12.0,104.0,294.598992347717,21.0,4.0,1.0,16.3718820861678,20.0,6.40582726326743,3.0,3.0,3.62130177514793,9.0,4.0,2.9464 -InChI%3D1S%2FC15H17Cl2N3O2%2Fc1-2-3-12-7-21-15%2822-12%2C8-20-10-18-9-19-20%2913-5-4-11%2816%296-14%2813%2917%2Fh4-6%2C9-10%2C12H%2C2-3%2C7-8H2%2C1H3,10.0,24.0,49.17,0.208333333333333,83.895,11.0,116.0,325.089992523193,24.0,2.0,0.0,16.84375,22.0,7.26643598615917,4.0,5.0,3.75308641975309,9.0,5.0,3.6534 -InChI%3D1S%2FC17H16Cl2O3%2Fc1-11%282%2922-16%2820%2917%2821%2C12-3-7-14%2818%298-4-12%2913-5-9-15%2819%2910-6-13%2Fh3-11%2C21H%2C1-2H3,10.0,23.0,46.53,0.217391304347826,87.1308,12.0,112.0,323.089991569519,23.0,2.0,1.0,18.3402646502836,22.0,7.71349862258953,3.0,5.0,4.30839002267574,9.0,3.0,4.1809 -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%2C1-3H3,7.0,18.0,29.54,0.388888888888889,75.28,6.0,82.0,249.611993789673,18.0,1.0,0.0,16.0555555555556,18.0,8.22684310018904,3.0,7.0,3.99583766909469,6.0,3.0,2.9871 -InChI%3D1S%2FC13H11Cl2NO2%2Fc1-12-6-13%2812%2C2%2911%2818%2916%2810%2812%2917%299-4-7%2814%293-8%2815%295-9%2Fh3-5H%2C6H2%2C1-2H3,7.0,20.0,37.38,0.05,66.5862,6.0,108.0,273.053993225098,20.0,2.0,0.0,13.005,18.0,3.76470588235294,3.0,1.0,1.47635524798155,6.0,3.0,3.3479 -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,6.0,19.0,0.0,0.0,76.098,0.0,108.0,368.280990600586,19.0,7.0,0.0,12.0554016620499,17.0,2.93877551020408,0.0,0.0,0.900890548692904,5.0,0.0,5.2415 -InChI%3D1S%2FC9H8Cl2O3%2Fc1-5%289%2812%2913%2914-8-3-2-6%2810%294-7%288%2911%2Fh2-5H%2C1H3%2C%28H%2C12%2C13%29,8.0,14.0,49.36,0.214285714285714,52.2455,6.0,66.0,227.001994132996,14.0,2.0,1.0,12.0714285714286,14.0,5.18559556786704,2.0,3.0,3.59183673469388,7.0,3.0,1.5106 -InChI%3D1S%2FC2H6N4S2%2Fc3-1%287%295-6-2%284%298%2Fh%28H3%2C3%2C5%2C7%29%28H3%2C4%2C6%2C8%29,5.0,7.0,149.36,0.428571428571429,39.6968,0.0,30.0,144.184001922607,7.0,0.0,6.0,8.0,8.0,3.9375,6.0,3.0,7.2,4.0,6.0,-0.1902 -InChI%3D1S%2FC48H81NO17%2Fc1-15-35-32%2823-60-45-42%2859-14%2941%2858-13%2938%2854%2928%285%2961-45%2920-25%282%2916-17-33%2851%2926%283%2921-31%2818-19-50%2939%2827%284%2934%2852%2922-36%2853%2962-35%2966-48%2810%2944%2856%2937%2849%2811%2912%2940%2829%286%2964-48%2965-47%289%2924-46%288%2C57%2943%2855%2930%287%2963-47%2Fh16-17%2C19-20%2C26-32%2C34-35%2C37-45%2C52%2C54-57H%2C15%2C18%2C21-24H2%2C1-14H3,25.0,69.0,239.87,0.188405797101449,240.8297,0.0,344.0,862.517977714539,69.0,0.0,6.0,58.5696282293636,66.0,25.0956734847771,17.0,13.0,14.5880490700435,24.0,17.0,1.1966 -InChI%3D1S%2FC13H17NO4%2Fc1-3-7-17-12%2815%2910-5-6-11%2814-9-10%2913%2816%2918-8-4-2%2Fh5-6%2C9H%2C3-4%2C7-8H2%2C1-2H3,13.0,18.0,65.49,0.444444444444444,65.384,6.0,80.0,234.145994186401,18.0,0.0,0.0,16.0555555555556,18.0,8.99173553719008,5.0,8.0,5.68047337278106,12.0,5.0,2.2152 -InChI%3D1S%2FC8H10N6%2Fc9-3-5-6%2810%2913-8%2814-7%285%2911%2912-4-1-2-4%2Fh4H%2C1-2H2%2C%28H5%2C10%2C11%2C12%2C13%2C14%29,8.0,15.0,117.6,0.0666666666666667,48.7105,6.0,72.0,180.129997253418,15.0,0.0,3.0,10.5155555555556,14.0,4.24489795918367,4.0,1.0,2.17283950617284,7.0,4.0,-0.66072 -InChI%3D1S%2FC42H71NO9%2Fc1-10-27-12-11-13-35%2852-38-17-16-34%2843%285%296%2925%284%2949-38%2924%283%2939%2845%2933-21-31-29%2832%2833%2922-37%2844%2951-27%2915-14-26-19-28%2820-30%2826%2931%2950-36-18-23%282%2940%2846-7%2942%2848-9%2941%2836%2947-8%2Fh23-36%2C38%2C40-42H%2C10-22H2%2C1-9H3,22.0,57.0,103.19,0.157894736842105,198.8427,0.0,280.0,662.459982872009,57.0,0.0,1.0,41.6288088642659,52.0,18.5077660037741,9.0,9.0,9.10374554102259,21.0,9.0,5.0378 -InChI%3D1S%2FC22H23NO3%2Fc1-21%282%2919%2822%2821%2C3%294%2920%2824%2926-18%2814-23%2915-9-8-12-17%2813-15%2925-16-10-6-5-7-11-16%2Fh5-13%2C18-19H%2C1-4H3,13.0,28.0,59.32,0.214285714285714,98.456,12.0,140.0,326.245991706848,28.0,0.0,0.0,20.7270408163265,26.0,8.16326530612245,4.0,6.0,4.07756232686981,12.0,4.0,5.26898000000001 -InChI%3D1S%2FC7H3Cl2N%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-3H,5.0,10.0,23.79,0.0,41.177,6.0,46.0,168.989995956421,10.0,2.0,0.0,8.1,10.0,3.40828402366864,1.0,0.0,1.75,4.0,1.0,2.86508 -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%2C3H2,6.0,21.0,0.0,0.0,78.054,0.0,120.0,356.849990844727,21.0,6.0,0.0,11.7959183673469,18.0,2.86127547666009,0.0,0.0,0.855424370683894,5.0,0.0,5.2702 -InChI%3D1S%2FC10H6N2OS2%2Fc1-5-2-3-6-7%284-5%2912-9-8%2811-6%2914-10%2813%2915-9%2Fh2-4H%2C1H3,8.0,17.0,99.33,0.0,63.805,15.0,84.0,228.256999015808,17.0,0.0,0.0,10.1730103806228,15.0,3.7856,3.0,0.0,1.85123966942149,7.0,5.0,2.5746 -InChI%3D1S%2FCHBr2Cl%2Fc2-1%283%294%2Fh1H,2.0,3.0,0.0,0.0,27.495,0.0,12.0,207.271997451782,3.0,3.0,0.0,4.0,4.0,1.33333333333333,0.0,0.0,0.0,1.0,0.0,2.2986 -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%29,8.0,14.0,69.19,0.142857142857143,54.7514,6.0,64.0,201.575996398926,14.0,1.0,2.0,12.0714285714286,14.0,5.77777777777778,3.0,2.0,4.38781163434903,7.0,3.0,0.6209 -InChI%3D1S%2FC16H15Cl3O2%2Fc1-20-13-7-3-11%284-8-13%2915%2816%2817%2C18%2919%2912-5-9-14%2821-2%2910-6-12%2Fh3-10%2C15H%2C1-2H3,12.0,22.0,18.46,0.227272727272727,88.121,12.0,106.0,330.532991409302,22.0,3.0,0.0,17.3553719008264,21.0,7.51300728407908,2.0,5.0,4.48753462603878,11.0,2.0,5.2059 -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%2C1H2,6.0,23.0,12.53,0.0,77.575,0.0,134.0,372.848990440369,23.0,6.0,0.0,11.6370510396975,19.0,2.68698347107438,1.0,0.0,0.757396449704142,5.0,1.0,4.4814 -InChI%3D1S%2FC5H13ClN%2Fc1-7%282%2C3%295-4-6%2Fh4-5H2%2C1-3H3%2Fq%2B1,4.0,6.0,0.0,0.333333333333333,33.6194,0.0,28.0,109.5149974823,6.0,1.0,0.0,7.0,7.0,2.34375,0.0,2.0,6.0,3.0,0.0,0.9314 -InChI%3D1S%2FC9H17NOS%2Fc1-2-12-9%2811%2910-7-5-3-4-6-8-10%2Fh2-8H2%2C1H3,7.0,12.0,45.61,0.25,51.3492,0.0,52.0,170.171998023987,12.0,0.0,0.0,10.0833333333333,12.0,5.61224489795918,3.0,3.0,3.515625,6.0,3.0,2.6734 -InChI%3D1S%2FC18H24N2O4%2Fc1-6-18%283%2C7-2%2914-11-15%2824-20-14%2919-17%2821%2916-12%2822-4%299-8-10-13%2816%2923-5%2Fh8-11H%2C6-7H2%2C1-5H3%2C%28H%2C19%2C21%29,11.0,25.0,73.59,0.32,91.9362,11.0,120.0,308.207992553711,25.0,0.0,1.0,20.3136,24.0,9.08734693877551,5.0,8.0,4.60117700316885,10.0,6.0,4.0218 -InChI%3D1S%2FC17H26ClNO3S%2Fc1-4-14%2819-22-8-6-7-18%2917-15%2820%2910-13%2811-16%2817%2921%299-12%283%2923-5-2%2Fh6-7%2C12-13%2C19H%2C4-5%2C8-11H2%2C1-3H3,15.0,23.0,80.7,0.391304347826087,96.3467,0.0,104.0,333.710993766785,23.0,1.0,1.0,21.0434782608696,23.0,11.5362663495838,5.0,9.0,7.18367346938776,14.0,5.0,4.0041 -InChI%3D1S%2FC19H26O4S%2Fc1-5-14-21-24%2820%2923-18-9-7-6-8-17%2818%2922-16-12-10-15%2811-13-16%2919%282%2C3%294%2Fh1%2C10-13%2C17-18H%2C6-9%2C14H2%2C2-4H3,14.0,25.0,63.97,0.28,95.9615,6.0,118.0,324.271993637085,25.0,0.0,0.0,20.3136,24.0,9.62975778546713,4.0,7.0,6.68244575936884,13.0,4.0,4.7849 -InChI%3D1S%2FC14H16ClO5PS%2Fc1-4-17-21%2822%2C18-5-2%2920-10-6-7-11-9%283%2913%2815%2914%2816%2919-12%2811%298-10%2Fh6-8H%2C4-5H2%2C1-3H3,11.0,23.0,99.8,0.260869565217391,90.622,11.0,112.0,346.642994880676,23.0,1.0,0.0,18.3402646502836,22.0,7.71349862258953,5.0,6.0,4.30839002267574,10.0,6.0,5.0817 -InChI%3D1S%2FC18H16ClNO5%2Fc1-3-22-17%2821%2911%282%2923-13-5-7-14%288-6-13%2924-18-20-15-9-4-12%2819%2910-16%2815%2925-18%2Fh4-11H%2C3H2%2C1-2H3,16.0,27.0,70.79,0.259259259259259,92.258,16.0,128.0,345.652991294861,27.0,1.0,0.0,19.7530864197531,25.0,9.27392257121987,5.0,7.0,5.48960302457467,15.0,6.0,4.6039 -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%2C1-3H3,8.0,22.0,32.98,0.136363636363636,85.2199,12.0,106.0,264.267995834351,22.0,0.0,1.0,14.9173553719008,20.0,6.40582726326743,2.0,3.0,3.12244897959184,7.0,1.0,2.8873 -InChI%3D1S%2FC28H31N2O3%2Fc1-6-29-23-15-25-21%2813-17%2823%294%2927%2819-11-9-10-12-20%2819%2928%2831%2932-8-3%2922-14-18%285%2924%2830-7-2%2916-26%2822%2933-25%2Fh9-16%2C29-30H%2C6-8H2%2C1-5H3,13.0,36.0,59.59,0.222222222222222,134.1029,18.0,174.0,412.318989753723,36.0,0.0,2.0,26.0740740740741,33.0,11.8231449442522,5.0,8.0,5.55555555555556,12.0,5.0,6.6296 -InChI%3D1S%2FC10H15O3PS2%2Fc1-8-7-9%285-6-10%288%2916-4%2913-14%2815%2C11-2%2912-3%2Fh5-7H%2C1-4H3,9.0,16.0,94.89,0.3125,72.117,6.0,76.0,263.214999198914,16.0,0.0,0.0,14.0625,16.0,6.07438016528926,5.0,5.0,3.76923076923077,8.0,5.0,4.2636 -InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H,4.0,7.0,30.21,0.142857142857143,24.0955,5.0,30.0,92.0529975891113,7.0,0.0,0.0,5.14285714285714,7.0,2.34375,1.0,1.0,1.18518518518519,3.0,2.0,1.0921 -InChI%3D1S%2FC10H5Cl7O%2Fc11-3-1-2%284-5%283%2918-4%299%2815%297%2813%296%2812%298%281%2C14%2910%289%2C16%2917%2Fh1-5H,6.0,21.0,12.53,0.0,75.619,0.0,122.0,384.279990196228,21.0,7.0,0.0,11.7959183673469,18.0,2.72,1.0,0.0,0.783673469387755,5.0,1.0,4.4527 -InChI%3D1S%2FC9H14O%2Fc1-7-4-8%2810%296-9%282%2C3%295-7%2Fh4H%2C5-6H2%2C1-3H3,4.0,10.0,17.07,0.0,41.779,0.0,50.0,124.097996711731,10.0,0.0,0.0,8.1,10.0,2.56,1.0,0.0,2.28571428571429,3.0,1.0,2.3218 -InChI%3D1S%2FC7H9NO%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5H%2C8H2%2C1H3,6.0,9.0,35.25,0.111111111111111,37.4064,6.0,40.0,114.082997322083,9.0,0.0,0.0,7.11111111111111,9.0,3.2396694214876,2.0,1.0,2.0,5.0,2.0,1.2774 -InChI%3D1S%2FC8H18NO4PS2%2Fc1-9-8%2810%294-5-15-6-7-16-14%2811%2C12-2%2913-3%2Fh4-7H2%2C1-3H3%2C%28H%2C9%2C10%29,11.0,15.0,128.53,0.6,72.0123,0.0,66.0,269.198999404907,15.0,0.0,1.0,16.0,16.0,9.07407407407407,7.0,9.0,7.8641975308642,10.0,7.0,2.8301 -InChI%3D1S%2FC39H42N3O6S2%2Fc1-5-41%2827-29-9-7-11-37%2825-29%2949%2843%2C44%2945%2935-21-15-32%2816-22-35%2939%2831-13-19-34%2820-14-31%2940%283%294%2933-17-23-36%2824-18-33%2942%286-2%2928-30-10-8-12-38%2826-30%2950%2846%2C47%2948%2Fh7-26H%2C5-6%2C27-28H2%2C1-4H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29,22.0,54.0,142.08,0.240740740740741,198.2655,24.0,264.0,670.577987670898,54.0,0.0,3.0,41.1694101508916,50.0,18.5562130177515,6.0,13.0,11.2753019575177,21.0,8.0,7.1504 -InChI%3D1S%2FC5H12NO4P%2Fc1-11%289%2C10%293-2-4%286%295%287%298%2Fh4H%2C2-3%2C6H2%2C1H3%2C%28H%2C7%2C8%29%28H%2C9%2C10%29,6.0,10.0,114.88,0.4,39.7369,0.0,48.0,169.031997680664,10.0,0.0,2.0,11.0,11.0,4.13265306122449,3.0,4.0,6.4,5.0,4.0,-2.3629 -InChI%3D1S%2FC12H8Cl6O%2Fc13-8-9%2814%293-1-4-5%282%283%297-6%281%2919-7%2911%289%2C16%2912%2817%2C18%2910%284%2C8%2915%2Fh1-8H,6.0,24.0,12.53,0.0,75.941,0.0,146.0,372.848990440369,24.0,6.0,0.0,10.6875,19.0,2.16659725114536,1.0,0.0,0.532778355879292,5.0,1.0,3.6169 -InChI%3D1S%2FC9H7NO%2Fc11-8-5-1-3-7-4-2-6-10-9%287%298%2Fh1-6%2C11H,5.0,12.0,33.12,0.0,43.4078,11.0,56.0,138.104996681213,12.0,0.0,1.0,7.63888888888889,11.0,3.1640625,2.0,0.0,1.45124716553288,4.0,2.0,1.9404 -InChI%3D1S%2FC20H32N2O3S%2Fc1-6-8-13-22%2814-9-7-2%2926-21%285%2919%2823%2924-17-12-10-11-16-15-20%283%2C4%2925-18%2816%2917%2Fh10-12H%2C6-9%2C13-15H2%2C1-5H3,13.0,27.0,67.31,0.407407407407407,107.62,6.0,128.0,348.297993659973,27.0,0.0,0.0,22.2908093278464,26.0,10.518626734843,6.0,11.0,6.84297520661157,12.0,6.0,5.2961 -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%2C1-2H3,16.0,25.0,46.15,0.52,92.762,6.0,110.0,308.203991889954,25.0,0.0,0.0,20.3136,24.0,12.3688888888889,5.0,13.0,7.42439737034332,15.0,5.0,3.7177 -InChI%3D1S%2FC19H26O3%2Fc1-7-8-13-12%284%2916%2810-15%2813%2920%2922-18%2821%2917-14%289-11%282%293%2919%2817%2C5%296%2Fh7%2C9%2C14%2C16-17H%2C1%2C8%2C10H2%2C2-6H3,12.0,23.0,43.37,0.260869565217391,87.21,0.0,116.0,276.205992698669,23.0,0.0,0.0,18.3402646502836,22.0,6.85714285714286,3.0,6.0,3.44047080126754,11.0,3.0,4.002 -InChI%3D1S%2FC10H14Cl6N4O2%2Fc11-9%2812%2C13%297%2817-5-21%2919-1-2-20%284-3-19%298%2818-6-22%2910%2814%2C15%2916%2Fh5-8H%2C1-4H2%2C%28H%2C17%2C21%29%28H%2C18%2C22%29,11.0,22.0,74.06,0.272727272727273,91.0294,0.0,108.0,420.85399055481,22.0,6.0,4.0,20.0454545454545,22.0,8.203125,4.0,6.0,5.8641975308642,10.0,4.0,3.4734 -InChI%3D1S%2FC14H24NO4PS3%2Fc1-12%282%2918-20%2821%2C19-13%283%294%2922-11-10-15-23%2816%2C17%2914-8-6-5-7-9-14%2Fh5-9%2C12-13%2C15H%2C10-11H2%2C1-4H3,12.0,23.0,140.21,0.434782608695652,101.0857,6.0,110.0,373.331998825073,23.0,0.0,1.0,21.0434782608696,23.0,9.474609375,7.0,10.0,8.08080808080808,11.0,7.0,5.504 -InChI%3D1S%2FC2H2Cl2%2Fc1-2%283%294%2Fh1H2,2.0,3.0,0.0,0.0,20.846,0.0,12.0,94.9279975891113,3.0,2.0,0.0,4.0,4.0,1.33333333333333,0.0,0.0,0.0,1.0,0.0,1.9352 -InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918,6.0,26.0,0.0,0.0,97.546,0.0,172.0,545.545986175537,26.0,12.0,0.0,14.3520710059172,22.0,2.33333333333333,0.0,0.0,0.478710002519526,5.0,0.0,6.223 -InChI%3D1S%2FC12H27OPS3%2Fc1-4-7-10-15-14%2813%2C16-11-8-5-2%2917-12-9-6-3%2Fh4-12H2%2C1-3H3,10.0,16.0,102.78,0.75,89.7045,0.0,68.0,287.306000709534,16.0,0.0,0.0,17.0,17.0,11.1111111111111,4.0,12.0,9.679012345679,9.0,4.0,6.6944 -InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3,5.0,6.0,26.3,0.5,26.83,0.0,24.0,92.0529975891113,6.0,0.0,0.0,7.0,7.0,4.16666666666667,2.0,3.0,3.84,4.0,2.0,0.7355 -InChI%3D1S%2FC2H6O2%2Fc3-1-2-4%2Fh3-4H%2C1-2H2,3.0,3.0,40.46,0.333333333333333,14.1716,0.0,10.0,56.019998550415,3.0,0.0,2.0,4.0,4.0,3.0,2.0,1.0,4.0,2.0,2.0,-1.029 -InChI%3D1S%2FC17H17N3O3%2Fc1-9%282%2917%283%2916%2823%2919-14%2820-17%2913-11%2815%2821%2922%298-10-6-4-5-7-12%2810%2918-13%2Fh4-9H%2C1-3H3%2C%28H%2C21%2C22%29%28H%2C19%2C20%2C23%29,10.0,25.0,94.48,0.12,79.3201,11.0,126.0,294.204993247986,25.0,0.0,2.0,17.8112,23.0,6.71883656509695,5.0,3.0,3.25443786982249,9.0,6.0,0.653800000000002 -InChI%3D1S%2FC12H20N4O2%2Fc1-14%282%2910-13-11%2817%2916%2812%2818%2915%2810%293%299-7-5-4-6-8-9%2Fh9H%2C4-8H2%2C1-3H3,9.0,19.0,60.13,0.105263157894737,70.187,6.0,92.0,232.157995223999,19.0,0.0,0.0,14.409972299169,18.0,5.96982167352538,4.0,2.0,2.96296296296296,8.0,6.0,0.513199999999999 -InChI%3D1S%2FC15H17ClN4%2Fc1-2-3-8-15%289-17%2C10-20-12-18-11-19-20%2913-4-6-14%2816%297-5-13%2Fh4-7%2C11-12H%2C2-3%2C8%2C10H2%2C1H3,9.0,21.0,54.5,0.285714285714286,78.29,11.0,98.0,271.645994186401,21.0,1.0,0.0,16.3718820861678,20.0,7.85204081632653,3.0,6.0,4.25,8.0,4.0,3.58328 -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%29,8.0,15.0,51.05,0.266666666666667,58.8218,6.0,68.0,194.124995231628,15.0,0.0,1.0,13.0666666666667,15.0,6.55401662049861,4.0,4.0,4.57142857142857,7.0,4.0,2.3964 -InChI%3D1S%2FC15H11ClO3%2Fc1-19-14%2817%2915%2818%2912-5-3-2-4-10%2812%2911-7-6-9%2816%298-13%2811%2915%2Fh2-8%2C18H%2C1H3,7.0,21.0,46.53,0.0952380952380952,71.9028,12.0,106.0,263.614993095398,21.0,1.0,1.0,13.9591836734694,19.0,5.080078125,3.0,2.0,2.0,6.0,3.0,2.7293 -InChI%3D1S%2FC2H3ClO2%2Fc3-1-2%284%295%2Fh1H2%2C%28H%2C4%2C5%29,3.0,4.0,40.13,0.25,16.4135,0.0,16.0,91.4729976654053,4.0,1.0,1.0,5.0,5.0,2.25,1.0,1.0,4.0,2.0,2.0,-1.0249 -InChI%3D1S%2FC14H6Cl2F4N2O2%2Fc15-5-4-8%2812%2820%2910%2816%2911%285%2919%2921-14%2824%2922-13%2823%299-6%2817%292-1-3-7%289%2918%2Fh1-4H%2C%28H2%2C21%2C22%2C23%2C24%29,12.0,25.0,65.18,0.12,81.6256,12.0,122.0,375.063989639282,25.0,6.0,2.0,20.3136,24.0,8.5895061728395,4.0,3.0,4.80340264650284,11.0,4.0,5.1001 -InChI%3D1S%2FC4H4O4%2Fc5-3%286%291-2-4%287%298%2Fh1-2H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29,5.0,7.0,80.26,0.285714285714286,20.527,0.0,30.0,112.03999710083,7.0,0.0,2.0,8.0,8.0,3.9375,2.0,2.0,7.2,4.0,4.0,-2.9576 -InChI%3D1S%2FC22H14Cl2I2N2O2%2Fc1-11-6-15%2817%2810-27%2912-2-4-13%2823%295-3-12%2918%2824%299-20%2811%2928-22%2830%2916-7-14%2825%298-19%2826%2921%2816%2929%2Fh2-9%2C17%2C29H%2C1H3%2C%28H%2C28%2C30%29,15.0,32.0,73.12,0.15625,136.591,18.0,156.0,648.967988967896,32.0,4.0,2.0,24.638671875,30.0,10.7448015122873,4.0,5.0,5.88,14.0,4.0,7.12438 -InChI%3D1S%2FC20H23N3O2%2Fc1-20%282%2C3%2918%2824%2919%2823-14-21-13-22-23%2925-17-11-9-16%2810-12-17%2915-7-5-4-6-8-15%2Fh4-14%2C18-19%2C24H%2C1-3H3,12.0,27.0,60.17,0.222222222222222,97.0268,17.0,130.0,314.23899269104,27.0,0.0,1.0,19.7530864197531,25.0,8.79224376731302,4.0,6.0,5.25848800362155,11.0,5.0,3.9297 -InChI%3D1S%2FC27H20N4O9S2%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%2Fh1-13%2C32-34H%2C14H2%2C%28H%2C35%2C36%2C37%29%28H%2C38%2C39%2C40%29,18.0,46.0,241.29,0.152173913043478,147.9572,28.0,230.0,588.449990272522,46.0,0.0,5.0,33.3657844990548,42.0,13.7786179374081,11.0,7.0,7.37240075614367,17.0,13.0,7.6971 -InChI%3D1S%2FC8H10O5%2Fc9-7%2810%295-3-1-2-4%2813-3%296%285%298%2811%2912%2Fh3-6H%2C1-2H2%2C%28H%2C9%2C10%29%28H%2C11%2C12%29,5.0,14.0,89.49,0.142857142857143,36.262,0.0,70.0,176.082995414734,14.0,0.0,2.0,9.55102040816327,13.0,3.29251700680272,3.0,2.0,1.4268727705113,4.0,5.0,-2.7202 -InChI%3D1S%2FC18H22N2O2%2Fc1-12%282%2919-10-13%2821%2911-22-17-9-5-8-16-18%2817%2914-6-3-4-7-15%2814%2920-16%2Fh3-9%2C12-13%2C19-21H%2C10-11H2%2C1-2H3,12.0,24.0,61.86,0.25,91.3689,15.0,114.0,276.209993362427,24.0,0.0,2.0,16.84375,22.0,7.71349862258953,2.0,6.0,4.11032990805841,11.0,2.0,2.0326 -InChI%3D1S%2FC17H19NO4%2Fc1-2-20-17%2819%2918-12-13-21-14-8-10-16%2811-9-14%2922-15-6-4-3-5-7-15%2Fh3-11H%2C2%2C12-13H2%2C1H3%2C%28H%2C18%2C19%29,16.0,23.0,60.28,0.347826086956522,85.0098,12.0,102.0,282.189992904663,23.0,0.0,1.0,18.3402646502836,22.0,10.7142857142857,5.0,8.0,7.421875,15.0,5.0,3.8082 -InChI%3D1S%2FC16H20N2O3%2Fc1-9%282%2916%284%2915%2820%2917-13%2818-16%2912-8-10%283%296-7-11%2812%2914%2819%2921-5%2Fh6-9H%2C1-5H3%2C%28H%2C17%2C18%2C20%29,9.0,22.0,67.76,0.181818181818182,75.0786,6.0,110.0,268.186993598938,22.0,0.0,1.0,17.3553719008264,21.0,6.62993572084481,5.0,4.0,3.34710743801653,8.0,5.0,1.8371 -InChI%3D1S%2FC15H16F3N5O4S%2Fc1-9-19-12%2822-14%2820-9%2927-2%2921-13%2824%2923-28%2825%2C26%2911-6-4-3-5-10%2811%297-8-15%2816%2C17%2918%2Fh3-6H%2C7-8H2%2C1-2H3%2C%28H2%2C19%2C20%2C21%2C22%2C23%2C24%29,14.0,29.0,138.27,0.241379310344828,91.3465,12.0,142.0,403.256992340088,29.0,3.0,2.0,24.2711058263971,28.0,10.3469387755102,8.0,7.0,7.98676748582231,13.0,8.0,2.901 -InChI%3D1S%2FC8H8Cl2O2%2Fc1-11-7-3-6%2810%298%2812-2%294-5%287%299%2Fh3-4H%2C1-2H3,7.0,12.0,18.46,0.166666666666667,49.566,6.0,56.0,198.991994857788,12.0,2.0,0.0,10.0833333333333,12.0,4.296875,2.0,2.0,2.25,6.0,2.0,3.0106 -InChI%3D1S%2FC11H9Cl2NO2%2Fc12-6-1-2-7-16-11%2815%2914-10-5-3-4-9%2813%298-10%2Fh3-5%2C8H%2C6-7H2%2C%28H%2C14%2C15%29,11.0,16.0,41.82,0.1875,65.6238,6.0,70.0,249.031993865967,16.0,2.0,1.0,14.0625,16.0,8.14404432132964,3.0,3.0,6.37,10.0,3.0,3.1443 -InChI%3D1S%2FC14H12Cl2N2O%2Fc1-19-18-14%287-10-3-2-6-17-9-10%2912-5-4-11%2815%298-13%2812%2916%2Fh2-6%2C8-9H%2C7H2%2C1H3,10.0,20.0,34.48,0.2,77.949,12.0,92.0,283.072993278503,20.0,2.0,0.0,15.39,19.0,7.69526627218935,3.0,4.0,4.5,9.0,3.0,3.9816 -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%2C1H2,8.0,22.0,40.46,0.0909090909090909,89.0796,12.0,110.0,400.858989715576,22.0,6.0,2.0,17.3553719008264,21.0,6.62993572084481,2.0,2.0,3.34710743801653,7.0,2.0,6.609 -InChI%3D1S%2FCHN%2Fc1-2%2Fh1H,1.0,1.0,23.79,0.0,6.67,0.0,2.0,26.0179996490479,1.0,0.0,0.0,2.0,2.0,0.0,1.0,0.0,0.0,0.0,1.0,0.13978 -InChI%3D1S%2FC7H17O2PS3%2Fc1-4-8-10%2811%2C9-5-2%2913-7-12-6-3%2Fh4-7H2%2C1-3H3,8.0,12.0,110.96,0.666666666666667,68.353,0.0,52.0,243.250001907349,12.0,0.0,0.0,13.0,13.0,7.40816326530612,5.0,8.0,6.12244897959184,7.0,5.0,4.3783 -InChI%3D1S%2FC13H14F3N3O4%2Fc1-4-17%287-8%282%293%2912-10%2818%2820%2921%295-9%2813%2814%2C15%2916%296-11%2812%2919%2822%2923%2Fh5-6H%2C2%2C4%2C7H2%2C1%2C3H3,9.0,23.0,94.88,0.304347826086957,81.789,6.0,114.0,319.153991699219,23.0,3.0,0.0,21.0434782608696,23.0,8.39273356401384,5.0,7.0,5.5,8.0,1.0,4.9706 -InChI%3D1S%2FC2H8NO2PS%2Fc1-5-6%283%2C4%297-2%2Fh1-2H3%2C%28H2%2C3%2C4%29,4.0,6.0,87.43,0.333333333333333,32.3179,0.0,28.0,133.068000793457,6.0,0.0,0.0,7.0,7.0,2.34375,4.0,2.0,2.66666666666667,3.0,4.0,1.0626 -InChI%3D1S%2FC6H10N6%2Fc7-4-10-5%288%2912-6%2811-4%299-3-1-2-3%2Fh3H%2C1-2H2%2C%28H5%2C7%2C8%2C9%2C10%2C11%2C12%29,6.0,13.0,107.43,0.0769230769230769,39.7885,6.0,62.0,156.107997894287,13.0,0.0,5.0,8.59171597633136,12.0,3.39506172839506,3.0,1.0,2.04081632653061,5.0,3.0,-1.307 -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%2C1-2H3,11.0,18.0,110.96,0.444444444444444,87.53,6.0,82.0,326.746999740601,18.0,1.0,0.0,16.0555555555556,18.0,8.22684310018904,5.0,8.0,6.144,10.0,5.0,6.0709 -InChI%3D1S%2FC14H4N2O2S2%2Fc15-5-9-10%286-16%2920-14-12%2818%298-4-2-1-3-7%288%2911%2817%2913%2814%2919-9%2Fh1-4H,9.0,22.0,138.2,0.0,76.972,15.0,108.0,292.299997329712,22.0,0.0,0.0,14.9173553719008,20.0,6.01171875,4.0,0.0,2.493435943866,8.0,6.0,2.15136 -InChI%3D1S%2FAsH3O4%2Fc2-1%283%2C4%295%2Fh%28H3%2C2%2C3%2C4%2C5%29%2Fp-3,2.0,4.0,86.25,0.0,2.3652,0.0,20.0,138.917995452881,4.0,0.0,3.0,5.0,5.0,1.0,2.0,0.0,0.0,1.0,4.0,-0.856 -InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H,4.0,7.0,20.23,0.0,28.1068,6.0,30.0,88.0649976730347,7.0,0.0,1.0,5.14285714285714,7.0,2.34375,1.0,0.0,1.5,3.0,1.0,1.3922 -InChI%3D1S%2FCBrN%2Fc2-1-3,2.0,2.0,23.79,0.0,14.54,0.0,6.0,105.921998977661,2.0,1.0,0.0,3.0,3.0,2.0,1.0,0.0,0.0,1.0,1.0,0.86238 -InChI%3D1S%2FC18H13ClF3NO7%2Fc1-2-28-16%2824%299-29-17%2825%2912-8-11%284-5-14%2812%2923%2826%2927%2930-15-6-3-10%287-13%2815%2919%2918%2820%2C21%2922%2Fh3-8H%2C2%2C9H2%2C1H3,16.0,31.0,107.65,0.32258064516129,98.7075,12.0,150.0,434.644988059998,31.0,4.0,0.0,26.2539021852237,30.0,11.7438016528926,7.0,10.0,7.82840236686391,15.0,5.0,5.3024 -InChI%3D1S%2FC20H19NO3%2Fc1-16%2823-20-9-5-6-14-21-20%2915-22-17-10-12-19%2813-11-17%2924-18-7-3-2-4-8-18%2Fh2-14%2C16H%2C15H2%2C1H3,16.0,26.0,40.58,0.269230769230769,92.78,18.0,118.0,302.223992347717,26.0,0.0,0.0,18.7810650887574,24.0,10.2222222222222,4.0,7.0,6.68244575936884,15.0,4.0,4.7202 -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%2C1H3,14.0,24.0,52.6,0.375,87.194,12.0,108.0,292.204992294312,24.0,0.0,0.0,19.3263888888889,23.0,10.78,4.0,9.0,6.42804967129291,13.0,4.0,4.0005 -InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,5.0,8.0,0.0,0.125,35.82,6.0,34.0,96.0879974365234,8.0,0.0,0.0,6.125,8.0,3.11111111111111,0.0,1.0,1.8,4.0,0.0,2.249 -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%2C1H3,10.0,24.0,86.99,0.0,86.6789,6.0,112.0,296.192992210388,24.0,0.0,3.0,19.3263888888889,23.0,9.474609375,5.0,0.0,6.09418282548476,9.0,5.0,3.2908 -InChI%3D1S%2FC19H23N3%2Fc1-14-6-8-18%2816%283%2910-14%2920-12-22%285%2913-21-19-9-7-15%282%2911-17%2819%294%2Fh6-13H%2C1-5H3,14.0,23.0,27.96,0.173913043478261,95.899,12.0,108.0,270.22999382019,23.0,0.0,0.0,18.3402646502836,22.0,8.74089490114464,3.0,4.0,5.8641975308642,13.0,3.0,4.8718 -InChI%3D1S%2FC15H14Cl2F3N3O3%2Fc1-3-26-13%2824%2910%2817%294-8-5-12%2811%2818%296-9%288%2916%2923-15%2825%2922%2814%2819%2920%297%282%2921-23%2Fh5-6%2C10%2C14H%2C3-4H2%2C1-2H3,13.0,27.0,66.12,0.259259259259259,88.76,11.0,132.0,398.082989692688,27.0,5.0,0.0,22.2908093278464,26.0,9.46745562130178,4.0,7.0,5.09342560553633,12.0,6.0,3.243 -InChI%3D1S%2FC24H27N3O4%2Fc1-17-21%2822%2827%285%2926-17%2930-20-9-7-6-8-10-20%2915-25-29-16-18-11-13-19%2814-12-18%2923%2828%2931-24%282%2C3%294%2Fh6-15H%2C16H2%2C1-5H3,18.0,33.0,74.94,0.272727272727273,118.4545,17.0,158.0,394.280990600586,33.0,0.0,0.0,25.6198347107438,31.0,11.9234404536862,6.0,9.0,8.06584362139918,17.0,7.0,5.02680000000001 -InChI%3D1S%2FC11H13F3N2O3S%2Fc1-6-4-7%282%2910%285-9%286%2915-8%283%2917%2916-20%2818%2C19%2911%2812%2C13%2914%2Fh4-5%2C16H%2C1-3H3%2C%28H%2C15%2C17%29,9.0,20.0,87.14,0.2,69.9555,6.0,102.0,297.192994117737,20.0,3.0,2.0,18.05,20.0,6.40582726326743,5.0,4.0,4.76470588235294,8.0,5.0,4.2536 -InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3,4.0,6.0,20.23,0.166666666666667,29.7478,0.0,28.0,88.0649976730347,6.0,0.0,1.0,7.0,7.0,2.34375,1.0,1.0,2.66666666666667,3.0,1.0,0.7806 -InChI%3D1S%2FC8H14N4OS%2Fc1-8%282%2C3%295-6%2813%2912%289%297%2814-4%2911-10-5%2Fh9H2%2C1-4H3,7.0,14.0,99.1,0.142857142857143,56.9234,6.0,70.0,200.181998252869,14.0,0.0,0.0,12.0714285714286,14.0,4.24489795918367,5.0,2.0,2.5344,6.0,6.0,0.3715 -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,10.0,24.0,131.36,0.0416666666666667,76.244,17.0,120.0,292.157992362976,24.0,0.0,5.0,16.84375,22.0,6.48148148148148,6.0,1.0,3.16534777176177,9.0,7.0,1.988 -InChI%3D1S%2FC8H7N3O5%2Fc1-4-6%288%289%2912%292-5%2810%2813%2914%293-7%284%2911%2815%2916%2Fh2-3H%2C1H3%2C%28H2%2C9%2C12%29,6.0,16.0,135.72,0.1875,58.2805,6.0,78.0,218.103995323181,16.0,0.0,2.0,14.0625,16.0,5.55765595463138,6.0,3.0,3.25,5.0,2.0,2.7412 -InChI%3D1S%2FC10H23O2PS2%2Fc1-6-9%284%2914-13%2811%2C12-8-3%2915-10%285%297-2%2Fh9-10H%2C6-8H2%2C1-5H3,8.0,14.0,86.71,0.571428571428571,73.9205,0.0,64.0,247.215999603271,14.0,0.0,0.0,15.0,15.0,7.30246913580247,4.0,8.0,6.22222222222222,7.0,4.0,5.1944 -InChI%3D1S%2FC16H12N2O4S%2Fc19-15-9-6-11-10-13%2823%2820%2C21%2922%297-8-14%2811%2916%2815%2918-17-12-4-2-1-3-5-12%2Fh1-10%2C19H%2C%28H%2C20%2C21%2C22%29,12.0,25.0,110.53,0.12,84.2382,17.0,122.0,316.252994537354,25.0,0.0,2.0,17.8112,23.0,7.48611111111111,5.0,3.0,4.34567901234568,11.0,6.0,4.9457 -InChI%3D1S%2FC5H12NO3PS2%2Fc1-6-5%287%294-12-10%2811%2C8-2%299-3%2Fh4H2%2C1-3H3%2C%28H%2C6%2C7%29,7.0,11.0,118.25,0.454545454545455,56.9748,0.0,50.0,217.167000770569,11.0,0.0,1.0,12.0,12.0,5.61224489795918,6.0,5.0,4.59183673469388,6.0,6.0,2.4738 -InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,3.0,6.0,63.19,0.0,23.9281,0.0,26.0,96.1140003204346,6.0,0.0,2.0,4.16666666666667,6.0,1.63265306122449,3.0,0.0,0.979591836734694,2.0,3.0,-0.3602 -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%29,10.0,15.0,97.78,0.4,60.9252,6.0,66.0,190.144996643066,15.0,0.0,4.0,13.0666666666667,15.0,7.30246913580247,5.0,6.0,6.22222222222222,9.0,5.0,0.2366 -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%2C1-4H3,19.0,25.0,52.6,0.76,106.998,0.0,106.0,328.237991333008,25.0,0.0,0.0,26.0,26.0,18.3673469387755,4.0,19.0,15.7526753864447,18.0,4.0,6.06600000000001 -InChI%3D1S%2FC6Cl5NO2%2Fc7-1-2%288%294%2810%296%2812%2813%2914%295%2811%293%281%299,6.0,14.0,45.82,0.0714285714285714,60.314,6.0,70.0,295.33599281311,14.0,5.0,0.0,12.0714285714286,14.0,4.24489795918367,2.0,1.0,2.02040816326531,5.0,0.0,5.385 -InChI%3D1S%2FC15H13N3O2S%2Fc1-20-15%2819%2918-14-16-12-8-7-11%289-13%2812%2917-14%2921-10-5-3-2-4-6-10%2Fh2-9H%2C1H3%2C%28H2%2C16%2C17%2C18%2C19%29,13.0,23.0,95.8,0.173913043478261,83.3915,16.0,108.0,286.250995635986,23.0,0.0,2.0,15.8790170132325,21.0,7.51300728407908,5.0,4.0,4.2603550295858,12.0,5.0,3.906 -InChI%3D1S%2FC10H7Cl5O%2Fc11-7-1-6%282-8%2812%293-7%299%285-16-9%294-10%2813%2C14%2915%2Fh1-3H%2C4-5H2,7.0,17.0,12.53,0.176470588235294,68.999,6.0,88.0,313.373991966248,17.0,5.0,0.0,12.4567474048443,16.0,4.03292181069959,1.0,3.0,2.65140478668054,6.0,1.0,4.9792 -InChI%3D1S%2FC13H22NO3PS%2Fc1-6-16-18%2815%2C14-10%282%293%2917-12-7-8-13%2819-5%2911%284%299-12%2Fh7-10H%2C6H2%2C1-5H3%2C%28H%2C14%2C15%29,10.0,19.0,82.67,0.368421052631579,81.0922,6.0,90.0,281.187996864319,19.0,0.0,1.0,17.0526315789474,19.0,7.69526627218935,5.0,7.0,5.47919143876338,9.0,5.0,4.2383 -InChI%3D1S%2FC26H22ClF3N2O3%2Fc1-16%282%2924%2832-22-12-11-18%2814-21%2822%2927%2926%2828%2C29%2930%2925%2833%2935-23%2815-31%2917-7-6-10-20%2813-17%2934-19-8-4-3-5-9-19%2Fh3-14%2C16%2C23-24%2C32H%2C1-2H3,18.0,37.0,71.35,0.27027027027027,126.1067,18.0,178.0,480.743987083435,37.0,4.0,1.0,29.554419284149,35.0,13.6930473372781,5.0,10.0,8.77198286722096,17.0,5.0,7.39568000000001 -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%2C1-4H3,15.0,27.0,39.44,0.259259259259259,97.944,11.0,132.0,312.238991737366,27.0,0.0,0.0,19.7530864197531,25.0,8.34714003944773,2.0,7.0,4.6464,14.0,3.0,5.152 -InChI%3D1S%2FC15H13N3O3S%2Fc1-21-15%2819%2918-14-16-12-8-7-11%289-13%2812%2917-14%2922%2820%2910-5-3-2-4-6-10%2Fh2-9H%2C1H3%2C%28H2%2C16%2C17%2C18%2C19%29,13.0,24.0,106.78,0.166666666666667,84.078,16.0,114.0,302.249995231628,24.0,0.0,2.0,16.84375,22.0,7.71349862258953,5.0,4.0,4.11032990805841,12.0,5.0,3.7872 -InChI%3D1S%2FC10H10ClNO2%2Fc1-7%2813%2912-9-4-2-8%283-5-9%2910%2814%296-11%2Fh2-5H%2C6H2%2C1H3%2C%28H%2C12%2C13%29,9.0,14.0,49.66,0.214285714285714,56.8903,6.0,64.0,201.567995071411,14.0,1.0,1.0,12.0714285714286,14.0,5.77777777777778,3.0,3.0,3.96,8.0,3.0,2.716 -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%29,8.0,14.0,35.83,0.142857142857143,59.8728,6.0,66.0,223.017994880676,14.0,2.0,1.0,12.0714285714286,14.0,5.18559556786704,3.0,2.0,3.59183673469388,7.0,3.0,3.1005 -InChI%3D1S%2FC14H15N3%2Fc1-10-9-13%2811-7-8-11%2917-14%2815-10%2916-12-5-3-2-4-6-12%2Fh2-6%2C9%2C11H%2C7-8H2%2C1H3%2C%28H%2C15%2C16%2C17%29,9.0,19.0,37.81,0.157894736842105,68.4687,12.0,90.0,210.174995422363,19.0,0.0,1.0,12.0554016620499,17.0,5.32544378698225,3.0,3.0,2.87970615243343,8.0,2.0,3.406 -InChI%3D1S%2FC14H20ClNO2%2Fc1-4-12-8-6-7-11%283%2914%2812%2916%2810-18-5-2%2913%2817%299-15%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3,8.0,18.0,29.54,0.388888888888889,75.256,6.0,82.0,249.611993789673,18.0,1.0,0.0,16.0555555555556,18.0,8.22684310018904,3.0,7.0,4.26666666666667,7.0,3.0,3.1232 -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%29,9.0,14.0,67.84,0.214285714285714,57.4212,6.0,64.0,180.121995925903,14.0,0.0,1.0,12.0714285714286,14.0,5.77777777777778,4.0,3.0,3.96,8.0,4.0,2.2754 -InChI%3D1S%2FC3H4Cl2O2%2Fc1-3%284%2C5%292%286%297%2Fh1H3%2C%28H%2C6%2C7%29,3.0,6.0,40.13,0.166666666666667,25.8045,0.0,30.0,138.936996459961,6.0,2.0,1.0,7.0,7.0,1.85185185185185,1.0,1.0,2.66666666666667,2.0,2.0,-0.0699000000000001 -InChI%3D1S%2FC12H14Cl3O4P%2Fc1-3-17-20%2816%2C18-4-2%2919-12%288-13%2910-6-5-9%2814%297-11%2810%2915%2Fh5-8H%2C3-4H2%2C1-2H3,10.0,20.0,54.57,0.35,82.2355,6.0,94.0,345.46099281311,20.0,3.0,0.0,18.05,20.0,8.44444444444444,4.0,7.0,5.37890625,9.0,4.0,5.7283 -InChI%3D1S%2FC12H13N5O6S2%2Fc1-6-13-10%2816-12%2814-6%2923-3%2915-11%2819%2917-25%2820%2C21%297-4-5-24-8%287%299%2818%2922-2%2Fh4-5H%2C1-3H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%2C19%29,13.0,26.0,192.81,0.230769230769231,86.187,11.0,126.0,374.294996261597,26.0,0.0,2.0,21.301775147929,25.0,9.27392257121987,10.0,6.0,5.7362962962963,12.0,11.0,1.2542 -InChI%3D1S%2FC14H18N2O5%2Fc1-21-14%2820%2911%287-9-5-3-2-4-6-9%2916-13%2819%2910%2815%298-12%2817%2918%2Fh2-6%2C10-11H%2C7-8%2C15H2%2C1H3%2C%28H%2C16%2C19%29%28H%2C17%2C18%29,11.0,21.0,126.66,0.380952380952381,75.1344,6.0,96.0,276.162993431091,21.0,0.0,2.0,19.047619047619,21.0,9.9039780521262,5.0,8.0,7.2,10.0,6.0,-1.5223 -InChI%3D1S%2FC10H22O3%2Fc1-4-5-6-12-8-10%283%2913-7-9%282%2911%2Fh9-11H%2C4-8H2%2C1-3H3,10.0,12.0,38.69,0.666666666666667,52.8218,0.0,50.0,168.106995582581,12.0,0.0,1.0,13.0,13.0,8.59171597633136,3.0,8.0,9.91735537190083,9.0,3.0,1.589 -InChI%3D1S%2FC36H53NO13%2Fc1-21-13-11-9-7-6-8-10-12-14-24%2848-35%285%2931%2842%2929%2837%2930%2841%2922%282%2947-35%2919-34%284%2928%2832%2843%2944%2925%2839%2920-36%2845%2C50-34%2918-23%2838%2917-33%283%2926%2849-33%2915-16-27%2840%2946-21%2Fh6-12%2C14-16%2C21-26%2C28-31%2C38-39%2C41-42%2C45H%2C13%2C17-20%2C37H2%2C1-5H3%2C%28H%2C43%2C44%29,19.0,53.0,235.44,0.0566037735849057,177.9026,0.0,266.0,654.389983177185,53.0,0.0,6.0,42.7376290494838,50.0,17.64,12.0,3.0,10.8288,18.0,13.0,-0.761499999999991 -InChI%3D1S%2FC31H52O3%2Fc1-21%282%2913-10-14-22%283%2915-11-16-23%284%2917-12-19-31%289%2920-18-28-26%287%2929%2833-27%288%2932%2924%285%2925%286%2930%2828%2934-31%2Fh21-23H%2C10-20H2%2C1-9H3,21.0,35.0,35.53,0.4,144.035,6.0,168.0,420.337988853455,35.0,0.0,0.0,30.225306122449,34.0,14.0741357767597,3.0,14.0,9.43638525564804,20.0,3.0,9.0599 -InChI%3D1S%2FC9H17ClN3O3PS%2Fc1-5-14-17%2818%2C15-6-2%2916-9-11-8%2810%2913%2812-9%297%283%294%2Fh7H%2C5-6H2%2C1-4H3,9.0,18.0,100.3,0.388888888888889,73.808,5.0,86.0,296.610997200012,18.0,1.0,0.0,16.0555555555556,18.0,6.9632,6.0,7.0,4.56599286563615,8.0,7.0,3.8393 -InChI%3D1S%2FC8H4O3%2Fc9-7-5-3-1-2-4-6%285%298%2810%2911-7%2Fh1-4H,5.0,12.0,43.37,0.0,36.188,6.0,58.0,144.08499622345,12.0,0.0,0.0,7.63888888888889,11.0,2.80276816608997,3.0,0.0,1.20982986767486,4.0,3.0,0.9972 -InChI%3D1S%2FC9H5Cl3N4%2Fc10-5-3-1-2-4-6%285%2913-9-15-7%2811%2914-8%2812%2916-9%2Fh1-4H%2C%28H%2C13%2C14%2C15%2C16%29,8.0,17.0,53.93,0.0588235294117647,63.0777,12.0,80.0,270.485994338989,17.0,3.0,1.0,12.4567474048443,16.0,5.55765595463138,3.0,1.0,3.49519890260631,7.0,3.0,2.9973 -InChI%3D1S%2FC15H18ClN3O%2Fc1-15%282%2C3%2914%2820%2913%2819-10-17-9-18-19%298-11-4-6-12%2816%297-5-11%2Fh4-10%2C14%2C20H%2C1-3H3,9.0,21.0,50.94,0.19047619047619,81.1028,11.0,102.0,273.637993812561,21.0,1.0,1.0,16.3718820861678,20.0,6.84,3.0,4.0,4.49632653061224,8.0,4.0,3.3366 -InChI%3D1S%2FC11H15NO2%2Fc1-7-5-8%282%299%283%2910%286-7%2914-11%2813%2912-4%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,7.0,14.0,41.82,0.142857142857143,57.2688,6.0,66.0,178.125995635986,14.0,0.0,1.0,12.0714285714286,14.0,5.18559556786704,3.0,2.0,3.27272727272727,6.0,3.0,2.5344 -InChI%3D1S%2FC42H70O35%2Fc43-1-8-29-15%2850%2922%2857%2936%2864-8%2972-30-9%282-44%2966-38%2824%2859%2917%2830%2952%2974-32-11%284-46%2968-40%2826%2861%2919%2832%2954%2976-34-13%286-48%2970-42%2828%2863%2921%2834%2956%2977-35-14%287-49%2969-41%2827%2862%2920%2835%2955%2975-33-12%285-47%2967-39%2825%2860%2918%2833%2953%2973-31-10%283-45%2965-37%2871-29%2923%2858%2916%2831%2951%2Fh8-63H%2C1-7H2,19.0,84.0,554.05,0.0833333333333333,228.4338,0.0,420.0,1064.42697238922,84.0,0.0,21.0,63.031746031746,77.0,26.9274376417234,35.0,7.0,12.5641830696776,18.0,35.0,-15.2306 -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%2C1-2H3,16.0,32.0,59.32,0.25,116.435,18.0,150.0,397.731989860535,32.0,1.0,0.0,24.638671875,30.0,12.2963764196863,4.0,8.0,7.25925925925926,15.0,4.0,6.67998 -InChI%3D1S%2FC2H6ClO3P%2Fc3-1-2-7%284%2C5%296%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,4.0,6.0,73.0,0.333333333333333,24.5665,0.0,28.0,138.445998191833,6.0,1.0,2.0,7.0,7.0,2.34375,1.0,2.0,6.0,3.0,3.0,1.2793 -InChI%3D1S%2FC12H19O2PS3%2Fc1-4-10-18-15%2816%2C13-5-2%2914-11-6-8-12%2817-3%299-7-11%2Fh6-9H%2C4-5%2C10H2%2C1-3H3,11.0,18.0,110.96,0.444444444444444,87.737,6.0,82.0,303.305000305176,18.0,0.0,0.0,16.0555555555556,18.0,8.22684310018904,5.0,8.0,5.68047337278106,10.0,5.0,5.8421 -InChI%3D1S%2FC3H8NO5P%2Fc5-3%286%291-4-2-10%287%2C8%299%2Fh4H%2C1-2H2%2C%28H%2C5%2C6%29%28H2%2C7%2C8%2C9%29,6.0,9.0,129.74,0.444444444444444,28.4664,0.0,42.0,161.008997917175,9.0,0.0,3.0,10.0,10.0,4.0,2.0,4.0,9.14285714285714,5.0,5.0,-2.6887 -InChI%3D1S%2FC10H14O2%2Fc1-10%282%2C3%298-6-7%2811%294-5-9%288%2912%2Fh4-6%2C11-12H%2C1-3H3,5.0,12.0,40.46,0.0833333333333333,48.4716,6.0,60.0,152.107995986938,12.0,0.0,2.0,10.0833333333333,12.0,3.39506172839506,2.0,1.0,2.49307479224377,4.0,2.0,2.3953 -InChI%3D1S%2FC6H7N3O2%2Fc7-4-1-2-5%288%296%283-4%299%2810%2911%2Fh1-3H%2C7-8H2,5.0,11.0,97.86,0.0909090909090909,44.0888,6.0,52.0,146.084997177124,11.0,0.0,0.0,9.09090909090909,11.0,3.6,4.0,1.0,2.21453287197232,4.0,2.0,1.2824 -InChI%3D1S%2FC12H8Cl2O3S%2Fc13-9-1-5-11%286-2-9%2917-18%2815%2C16%2912-7-3-10%2814%294-8-12%2Fh1-8H,11.0,19.0,51.75,0.157894736842105,70.762,12.0,92.0,295.101994514465,19.0,2.0,0.0,14.409972299169,18.0,5.96982167352538,3.0,3.0,3.99583766909469,10.0,3.0,4.8419 -InChI%3D1S%2F3C6H5.Sn.H%2Fc3%2A1-2-4-6-5-3-1%3B%3B%2Fh3%2A1-5H%3B%3B,3.0,6.0,0.0,0.0,26.442,6.0,24.0,72.0659980773926,6.0,0.0,0.0,4.16666666666667,6.0,2.22222222222222,0.0,0.0,1.33333333333333,2.0,0.0,1.6866 -InChI%3D1S%2FC18H26O2%2Fc1-13%282%2918-10-9-17%284%2C20-18%2916%2811-18%2919-12-15-8-6-5-7-14%2815%293%2Fh5-8%2C13%2C16H%2C9-12H2%2C1-4H3,10.0,22.0,18.46,0.181818181818182,80.666,6.0,112.0,248.195993423462,22.0,0.0,0.0,14.9173553719008,20.0,5.32525951557093,2.0,4.0,2.60302457466919,9.0,2.0,4.2478 -InChI%3D1S%2FC6H12N2S4%2Fc1-7%282%295%289%2911-12-6%2810%298%283%294%2Fh1-4H3,7.0,11.0,121.26,0.454545454545455,67.752,0.0,50.0,228.348003387451,11.0,0.0,0.0,12.0,12.0,5.61224489795918,6.0,5.0,5.32544378698225,6.0,6.0,2.0608 -InChI%3D1S%2FC12H18N2O2%2Fc1-8-6-10%2816-12%2815%2913-3%297-9%282%2911%288%2914%284%295%2Fh6-7H%2C1-5H3%2C%28H%2C13%2C15%29,9.0,16.0,45.06,0.1875,66.8588,6.0,76.0,204.143995285034,16.0,0.0,1.0,14.0625,16.0,6.07438016528926,4.0,3.0,3.76923076923077,8.0,4.0,2.292 -InChI%3D1S%2FC7H6N2O4%2Fc8-6-3-4%289%2812%2913%291-2-5%286%297%2810%2911%2Fh1-3H%2C8H2%2C%28H%2C10%2C11%29,7.0,13.0,111.97,0.153846153846154,44.6934,6.0,62.0,176.086996078491,13.0,0.0,1.0,11.0769230769231,13.0,4.48148148148148,4.0,2.0,2.72108843537415,6.0,3.0,0.0637000000000001 -InChI%3D1S%2FC14H14Cl2N2O%2Fc1-2-7-19-14%289-18-6-5-17-10-18%2912-4-3-11%2815%298-13%2812%2916%2Fh2-6%2C8%2C10%2C14H%2C1%2C7%2C9H2,9.0,20.0,27.05,0.3,77.579,11.0,92.0,283.072993278503,20.0,2.0,0.0,15.39,19.0,7.69526627218935,2.0,6.0,4.5,8.0,3.0,4.1338 -InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,2.0,2.0,0.0,0.0,16.05,0.0,6.0,59.4749984741211,2.0,1.0,0.0,3.0,3.0,2.0,0.0,0.0,0.0,1.0,0.0,1.3687 -InChI%3D1S%2FC10H7NO2%2Fc12-11%2813%2910-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7H,6.0,14.0,45.82,0.0714285714285714,52.77,11.0,66.0,166.114995956421,14.0,0.0,0.0,9.55102040816327,13.0,4.02216066481994,2.0,1.0,1.92,5.0,0.0,3.2712 -InChI%3D1S%2FC9H8N4OS%2Fc14-9%2812-8-6-10-13-15-8%2911-7-4-2-1-3-5-7%2Fh1-6H%2C%28H2%2C11%2C12%2C14%29,9.0,16.0,98.64,0.1875,59.6975,11.0,72.0,212.192997932434,16.0,0.0,2.0,11.484375,15.0,5.915,5.0,3.0,3.8109640831758,8.0,6.0,2.1957 -InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,5.0,12.0,0.0,0.0,56.502,6.0,60.0,284.783992767334,12.0,6.0,0.0,10.0833333333333,12.0,3.39506172839506,0.0,0.0,1.5625,4.0,0.0,5.607 -InChI%3D1S%2FC15H12F4N4O7S%2Fc1-28-11%2824%297-4-2-3-5-8%287%2931%2826%2C27%2923-15%2825%2922-14-20-9%2829-12%2816%2917%296-10%2821-14%2930-13%2818%2919%2Fh2-6%2C12-13H%2C1H3%2C%28H2%2C20%2C21%2C22%2C23%2C25%29,14.0,32.0,157.68,0.3125,93.167,12.0,154.0,456.244990348816,32.0,4.0,2.0,27.24609375,31.0,12.4592592592593,11.0,10.0,8.69822485207101,13.0,11.0,3.0708 -InChI%3D1S%2FC23H19ClF3NO3%2Fc1-22%282%2917%2812-19%2824%2923%2825%2C26%2927%2920%2822%2921%2829%2931-18%2813-28%2914-7-6-10-16%2811-14%2930-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,16.0,33.0,59.32,0.242424242424242,108.156,12.0,164.0,430.703988075256,33.0,4.0,0.0,25.6198347107438,31.0,10.5081216159933,4.0,8.0,6.11862643080125,15.0,4.0,6.54398 -InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,5.0,8.0,0.0,0.0,36.462,6.0,36.0,142.971996307373,8.0,2.0,0.0,6.125,8.0,2.52,0.0,0.0,1.8,4.0,0.0,2.9934 -InChI%3D1S%2FC9H7Cl3O3%2Fc1-4%289%2813%2914%2915-8-3-6%2811%295%2810%292-7%288%2912%2Fh2-4H%2C1H3%2C%28H%2C13%2C14%29,8.0,15.0,49.36,0.2,57.2555,6.0,72.0,262.454993247986,15.0,3.0,1.0,13.0666666666667,15.0,5.36507936507936,2.0,3.0,3.5,7.0,3.0,2.164 -InChI%3D1S%2FC19H17ClN2O4%2Fc1-3-24-19%2823%2912%282%2925-14-5-7-15%288-6-14%2926-18-11-21-17-10-13%2820%294-9-16%2817%2922-18%2Fh4-12H%2C3H2%2C1-2H3,17.0,28.0,70.54,0.25,97.787,17.0,132.0,355.671991348267,28.0,1.0,0.0,20.7270408163265,26.0,9.97229916897507,6.0,7.0,5.9972838388411,16.0,6.0,4.4059 -InChI%3D1S%2FC6H13N%2Fc7-6-4-2-1-3-5-6%2Fh6H%2C1-5%2C7H2,4.0,7.0,27.64,0.0,31.8951,0.0,30.0,86.072998046875,7.0,0.0,0.0,5.14285714285714,7.0,2.34375,0.0,0.0,1.5,3.0,0.0,0.561 -InChI%3D1S%2FC7H10N2O4S%2Fc1-5-4-6%288%292-3-7%285%299-13-14%2810%2C11%2912%2Fh2-4%2C9H%2C8H2%2C1H3%2C%28H%2C10%2C11%2C12%29,8.0,14.0,112.86,0.214285714285714,50.0405,6.0,68.0,208.153997421265,14.0,0.0,2.0,12.0714285714286,14.0,4.68,5.0,3.0,4.38781163434903,7.0,6.0,1.4617 -InChI%3D1S%2FC10H10O4%2Fc1-13-9%2811%297-3-5-8%286-4-7%2910%2812%2914-2%2Fh3-6H%2C1-2H3,9.0,14.0,52.6,0.285714285714286,49.121,6.0,64.0,184.105995178223,14.0,0.0,0.0,12.0714285714286,14.0,5.77777777777778,4.0,4.0,3.27272727272727,8.0,4.0,1.2598 -InChI%3D1S%2FC15H10ClF3N2O6S%2Fc1-28%2825%2C26%2920-14%2822%2910-7-9%283-4-12%2810%2921%2823%2924%2927-13-5-2-8%286-11%2813%2916%2915%2817%2C18%2919%2Fh2-7H%2C1H3%2C%28H%2C20%2C22%29,13.0,29.0,130.16,0.206896551724138,95.8458,12.0,146.0,428.686990737915,29.0,4.0,1.0,24.2711058263971,28.0,9.42768595041322,7.0,6.0,7.0387338608913,12.0,5.0,5.9275 -InChI%3D1S%2FC25H28O3%2Fc1-4-27-22-15-13-21%2814-16-22%2925%282%2C3%2919-26-18-20-9-8-12-24%2817-20%2928-23-10-6-5-7-11-23%2Fh5-17H%2C4%2C18-19H2%2C1-3H3,18.0,30.0,27.69,0.3,113.251,18.0,140.0,348.271990776062,30.0,0.0,0.0,22.68,28.0,11.4075,3.0,9.0,7.33506944444444,17.0,3.0,6.37200000000001 -InChI%3D1S%2FC6H4Cl2N2O2%2Fc7-4-1-3%2810%2811%2912%292-5%288%296%284%299%2Fh1-2H%2C9H2,6.0,12.0,71.84,0.0833333333333333,49.6964,6.0,58.0,202.983995437622,12.0,2.0,0.0,10.0833333333333,12.0,3.80622837370242,3.0,1.0,2.25,5.0,1.0,3.007 -InChI%3D1S%2FC16H18N4O7S%2Fc1-25-12-8-13%2826-2%2918-15%2817-12%2919-16%2822%2920-28%2823%2C24%299-10-6-4-5-7-11%2810%2914%2821%2927-3%2Fh4-8H%2C9H2%2C1-3H3%2C%28H2%2C17%2C18%2C19%2C20%2C22%29,14.0,29.0,157.68,0.310344827586207,98.445,12.0,138.0,392.263993263245,29.0,0.0,2.0,24.2711058263971,28.0,11.4075,11.0,9.0,7.65052059755546,13.0,11.0,2.0263 -InChI%3D1S%2FCClN%2Fc2-1-3,2.0,2.0,23.79,0.0,11.466,0.0,6.0,61.4709987640381,2.0,1.0,0.0,3.0,3.0,2.0,1.0,0.0,0.0,1.0,1.0,0.70628 -InChI%3D1S%2FC15H12F2N3Si%2Fc16-12-1-5-14%286-2-12%2921%2811-20-10-18-9-19-20%2915-7-3-13%2817%294-8-15%2Fh1-10H%2C11H2,10.0,23.0,30.71,0.130434782608696,74.0632,11.0,108.0,288.267993927002,23.0,2.0,0.0,15.8790170132325,21.0,7.51300728407908,3.0,3.0,4.2603550295858,9.0,3.0,1.843 -InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,5.0,8.0,0.0,0.125,36.533,6.0,34.0,96.0879974365234,8.0,0.0,0.0,6.125,8.0,3.11111111111111,0.0,1.0,1.8,4.0,0.0,2.3296 -InChI%3D1S%2FC16H22ClNO3%2Fc1-4-12-8-7-9-13%285-2%2916%2812%2918%2814%2819%2910-17%2911-15%2820%2921-6-3%2Fh7-9H%2C4-6%2C10-11H2%2C1-3H3,9.0,21.0,46.61,0.428571428571429,84.904,6.0,96.0,289.632992744446,21.0,1.0,0.0,19.047619047619,21.0,9.9039780521262,4.0,9.0,5.28979591836735,8.0,4.0,2.9463 -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%29,12.0,19.0,95.8,0.263157894736842,73.8415,10.0,88.0,250.21799659729,19.0,0.0,2.0,14.409972299169,18.0,6.9632,5.0,5.0,3.99583766909469,11.0,5.0,3.2569 -InChI%3D1S%2FC9H10Cl2N2O2%2Fc1-13%2815-2%299%2814%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C1-2H3%2C%28H%2C12%2C14%29,9.0,15.0,45.06,0.2,60.9578,6.0,70.0,239.016994476318,15.0,2.0,1.0,13.0666666666667,15.0,5.915,4.0,3.0,3.8109640831758,8.0,4.0,3.0321 -InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3,6.0,11.0,20.23,0.0909090909090909,47.3498,0.0,52.0,136.108996391296,11.0,0.0,1.0,9.09090909090909,11.0,3.6,1.0,1.0,2.21453287197232,5.0,1.0,2.4395 -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%2C1-2H3,9.0,18.0,82.48,0.333333333333333,77.658,6.0,86.0,339.502995491028,18.0,3.0,0.0,16.0555555555556,18.0,6.9632,5.0,6.0,4.56599286563615,8.0,5.0,5.3687 -InChI%3D1S%2FC17H16F3NO2%2Fc1-11%282%2923-13-7-5-6-12%2810-13%2921-16%2822%2914-8-3-4-9-15%2814%2917%2818%2C19%2920%2Fh3-11H%2C1-2H3%2C%28H%2C21%2C22%29,11.0,24.0,41.82,0.208333333333333,82.4758,12.0,116.0,307.185991287231,24.0,3.0,1.0,19.3263888888889,23.0,8.39273356401384,3.0,5.0,5.78566732412886,10.0,3.0,5.1289 -InChI%3D1S%2FC14H9ClF2N2O2%2Fc15-8-4-6-9%287-5-8%2918-14%2821%2919-13%2820%2912-10%2816%292-1-3-11%2812%2917%2Fh1-7H%2C%28H2%2C18%2C19%2C20%2C21%29,12.0,22.0,61.69,0.181818181818182,75.9945,12.0,104.0,301.614992141724,22.0,3.0,2.0,17.3553719008264,21.0,8.02222222222222,4.0,4.0,5.0,11.0,4.0,4.1549 -InChI%3D1S%2FC10H19N5S%2Fc1-6-11-7-12-8%2815-10%282%2C3%294%2914-9%2813-7%2916-5%2Fh6H2%2C1-5H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29,8.0,16.0,91.26,0.25,67.6434,6.0,76.0,222.21199798584,16.0,0.0,2.0,14.0625,16.0,6.07438016528926,5.0,4.0,5.26446280991736,7.0,5.0,1.6576 -InChI%3D1S%2FC15H21NO4%2Fc1-10-7-6-8-11%282%2914%2810%2916%2813%2817%299-19-4%2912%283%2915%2818%2920-5%2Fh6-8%2C12H%2C9H2%2C1-5H3,8.0,20.0,55.84,0.35,76.756,6.0,94.0,258.167993545532,20.0,0.0,0.0,18.05,20.0,8.44444444444444,5.0,7.0,4.49632653061224,7.0,5.0,1.8443 -InChI%3D1S%2FC11H15N3O2%2Fc1-12-11%2815%2916-10-6-4-5-9%287-10%2913-8-14%282%293%2Fh4-8H%2C1-3H3%2C%28H%2C12%2C15%29,10.0,16.0,57.42,0.25,64.8968,6.0,72.0,206.139995574951,16.0,0.0,1.0,14.0625,16.0,7.35,5.0,4.0,5.77777777777778,9.0,5.0,1.8306 -InChI%3D1S%2FC12H19ClNO3P%2Fc1-12%282%2C3%299-6-7-11%2810%2813%298-9%2917-18%2815%2C14-4%2916-5%2Fh6-8H%2C1-5H3%2C%28H%2C14%2C15%29,9.0,18.0,57.37,0.277777777777778,74.4552,6.0,90.0,272.56299495697,18.0,1.0,1.0,16.0555555555556,18.0,5.96982167352538,4.0,5.0,4.26666666666667,8.0,4.0,3.9902 -InChI%3D1S%2FC19H17ClN4%2Fc20-18-8-6-16%287-9-18%2910-11-19%2812-21%2C13-24-15-22-14-23-24%2917-4-2-1-3-5-17%2Fh1-9%2C14-15H%2C10-11%2C13H2,11.0,26.0,54.5,0.230769230769231,93.528,17.0,122.0,319.689992904663,26.0,1.0,0.0,18.7810650887574,24.0,9.08734693877551,3.0,6.0,5.01925925925926,10.0,4.0,4.02588 -InChI%3D1S%2FC15H11ClF3NO4%2Fc1-8%2814%2821%2922%2923-10-2-4-11%285-3-10%2924-13-12%2816%296-9%287-20-13%2915%2817%2C18%2919%2Fh2-8H%2C1H3%2C%28H%2C21%2C22%29,14.0,25.0,71.48,0.24,76.5485,12.0,122.0,350.614990234375,25.0,4.0,1.0,20.3136,24.0,8.5895061728395,4.0,6.0,6.0464009518144,13.0,5.0,3.0633 -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%29,8.0,13.0,32.59,0.153846153846154,56.4768,6.0,60.0,209.010994911194,13.0,2.0,1.0,11.0769230769231,13.0,5.0242214532872,2.0,2.0,3.32409972299169,7.0,2.0,3.9914 -InChI%3D1S%2FC20H19F3N2O4%2Fc1-13%2814-8-6-9-16%2811-14%2920%2821%2C22%2923%2924-29-12-15-7-4-5-10-17%2815%2918%2825-28-3%2919%2826%2927-2%2Fh4-11H%2C12H2%2C1-3H3,14.0,30.0,69.48,0.3,100.448,12.0,142.0,389.223989486694,30.0,3.0,0.0,25.2622222222222,29.0,12.1427721594289,6.0,9.0,7.5712,13.0,6.0,4.1697 -InChI%3D1S%2FC11H19N3O%2Fc1-4-6-7-9-8%283%2913-11%2812-5-2%2914-10%289%2915%2Fh4-7H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%29,10.0,15.0,61.27,0.266666666666667,59.7055,6.0,68.0,190.140995979309,15.0,0.0,2.0,13.0666666666667,15.0,6.55401662049861,3.0,4.0,3.8109640831758,9.0,3.0,1.6869 -InChI%3D1S%2FC9H22O4P2S4%2Fc1-5-10-14%2816%2C11-6-2%2918-9-19-15%2817%2C12-7-3%2913-8-4%2Fh5-9H2%2C1-4H3,10.0,18.0,171.32,0.666666666666667,95.575,0.0,82.0,362.311002731323,18.0,0.0,0.0,19.0,19.0,9.8336483931947,8.0,12.0,8.0,9.0,8.0,6.3065 -InChI%3D1S%2FC10H16Cl3NOS%2Fc1-6%282%2914%287%283%294%2910%2815%2916-5-8%2811%299%2812%2913%2Fh6-7H%2C5H2%2C1-4H3,8.0,15.0,45.61,0.4,74.55,0.0,70.0,288.541995048523,15.0,3.0,0.0,16.0,16.0,7.35,3.0,6.0,5.77777777777778,7.0,3.0,4.8439 -InChI%3D1S%2FC14H8Cl2N4%2Fc15-11-7-3-1-5-9%2811%2913-17-19-14%2820-18-13%2910-6-2-4-8-12%2810%2916%2Fh1-8H,11.0,22.0,51.56,0.0909090909090909,78.514,18.0,104.0,295.087993621826,22.0,2.0,0.0,14.9173553719008,20.0,6.84,4.0,2.0,3.4425,10.0,4.0,3.9074 -InChI%3D1S%2FC12H18N4O6S%2Fc1-7%282%2914%288%283%294%2912-10%2815%2817%2918%295-9%2823%2813%2C21%2922%296-11%2812%2916%2819%2920%2Fh5-8H%2C1-4H3%2C%28H2%2C13%2C21%2C22%29,8.0,23.0,163.42,0.260869565217391,88.2544,6.0,116.0,328.220994949341,23.0,0.0,0.0,21.0434782608696,23.0,7.92,8.0,6.0,4.98866213151927,7.0,4.0,3.9008 -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%2C1-2H3,15.0,28.0,35.53,0.25,103.304,12.0,136.0,371.133990287781,28.0,2.0,0.0,20.7270408163265,26.0,9.0,3.0,7.0,5.09342560553633,14.0,3.0,6.1133 -InChI%3D1S%2FC16H22ClN3O%2Fc1-15%282%2C3%2916%2821%2C10-20-12-18-11-19-20%299-8-13-4-6-14%2817%297-5-13%2Fh4-7%2C11-12%2C21H%2C8-10H2%2C1-3H3,11.0,22.0,50.94,0.272727272727273,84.1998,11.0,108.0,285.648993492126,22.0,1.0,1.0,17.3553719008264,21.0,7.05078125,3.0,6.0,4.73338203067933,10.0,4.0,3.3415 -InChI%3D1S%2FC12H11Cl2N3O2%2Fc13-9-1-2-10%2811%2814%295-9%2912%2818-3-4-19-12%296-17-8-15-7-16-17%2Fh1-2%2C5%2C7-8H%2C3-4%2C6H2,9.0,21.0,49.17,0.142857142857143,70.066,11.0,102.0,289.056993484497,21.0,2.0,0.0,13.9591836734694,19.0,5.78,4.0,3.0,2.88,8.0,5.0,2.4847 -InChI%3D1S%2FC18H16N2O8S2.2Na%2Fc1-10-7-14%2816%2828-2%299-17%2810%2930%2825%2C26%2927%2919-20-18-13-5-4-12%2829%2822%2C23%2924%298-11%2813%293-6-15%2818%2921%3B%3B%2Fh3-9%2C19H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2,14.0,32.0,181.85,0.15625,104.3885,12.0,162.0,436.337993621826,32.0,0.0,3.0,24.638671875,30.0,9.46938775510204,8.0,5.0,5.68879333512497,13.0,10.0,3.3855 -InChI%3D1S%2FC9H12NO5PS%2Fc1-7-6-8%284-5-9%287%2910%2811%2912%2915-16%2817%2C13-2%2914-3%2Fh4-6H%2C1-3H3,9.0,17.0,115.41,0.294117647058824,69.158,6.0,82.0,265.141997337341,17.0,0.0,0.0,15.0588235294118,17.0,6.25,6.0,5.0,4.0,8.0,4.0,3.9731 -InChI%3D1S%2FC11H21NOS%2Fc1-3-12%2811%2813%2914-4-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3,8.0,14.0,45.61,0.357142857142857,62.781,0.0,62.0,194.193997383118,14.0,0.0,0.0,12.0714285714286,14.0,6.47750865051903,3.0,5.0,3.59183673469388,7.0,3.0,3.5141 -InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,2.0,3.0,0.0,0.0,24.421,0.0,12.0,162.820997238159,3.0,3.0,0.0,4.0,4.0,1.33333333333333,0.0,0.0,0.0,1.0,0.0,2.1425 -InChI%3D1S%2FC6H3Cl4N%2Fc7-5-3-1-2-4%2811-5%296%288%2C9%2910%2Fh1-3H,5.0,11.0,12.89,0.0909090909090909,48.484,6.0,54.0,227.884994506836,11.0,4.0,0.0,9.09090909090909,11.0,3.1640625,1.0,1.0,2.5,4.0,1.0,3.5617 -InChI%3D1S%2FC10H18N4O4S3%2Fc1-7%2819-5%2911-17-9%2815%2913%283%2921-14%284%2910%2816%2918-12-8%282%2920-6%2Fh1-6H3,14.0,20.0,159.7,0.5,89.327,0.0,90.0,336.334999084473,20.0,0.0,0.0,21.0,21.0,11.552,11.0,10.0,9.58579881656805,13.0,11.0,3.0792 -InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-4-2-3-5-7%286%299%2Fh2-5%2C9H%2C1H3,6.0,11.0,46.53,0.181818181818182,39.4463,6.0,50.0,144.08499622345,11.0,0.0,1.0,9.09090909090909,11.0,4.13265306122449,3.0,2.0,2.21453287197232,5.0,3.0,1.1788 -InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,2.0,3.0,0.0,0.0,21.347,0.0,12.0,118.369997024536,3.0,3.0,0.0,4.0,4.0,1.33333333333333,0.0,0.0,0.0,1.0,0.0,1.9864 -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%29,10.0,20.0,106.35,0.15,73.2131,12.0,98.0,264.224996566772,20.0,0.0,1.0,15.39,19.0,6.18549346016647,6.0,3.0,4.23140495867769,9.0,6.0,2.5572 -InChI%3D1S%2FC15H16F5NO2S2%2Fc1-6%282%295-7-8%2813%2822%2924-3%2910%2812%2816%2917%2921-11%2815%2818%2C19%2920%299%287%2914%2823%2925-4%2Fh6%2C12H%2C5H2%2C1-4H3,8.0,25.0,97.63,0.32,88.429,6.0,124.0,385.293992996216,25.0,5.0,0.0,23.04,25.0,9.27392257121987,5.0,8.0,5.48960302457467,7.0,5.0,5.2429 -InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,5.0,12.0,0.0,0.0,57.846,0.0,60.0,284.783992767334,12.0,6.0,0.0,10.0833333333333,12.0,3.39506172839506,0.0,0.0,1.5625,4.0,0.0,3.6444 -InChI%3D1S%2FC17H21ClN2O2S%2Fc1-11-15%2812-7-9-13%2818%2910-8-12%2923-17%2822%2920%2811%2916%2821%2919-14-5-3-2-4-6-14%2Fh7-11%2C14-15H%2C2-6H2%2C1H3%2C%28H%2C19%2C21%29,13.0,25.0,78.2,0.12,93.198,6.0,120.0,331.718994140625,25.0,1.0,1.0,17.8112,23.0,7.92,5.0,3.0,4.15879017013232,12.0,5.0,5.123 -InChI%3D1S%2FC7H10N4O3%2Fc1-3-9-7%2813%2910-6%2812%295%284-8%2911-14-2%2Fh3H2%2C1-2H3%2C%28H2%2C9%2C10%2C12%2C13%29,9.0,13.0,110.56,0.307692307692308,50.7256,0.0,56.0,188.101996421814,13.0,0.0,2.0,14.0,14.0,8.32,7.0,4.0,6.1875,8.0,7.0,0.40278 -InChI%3D1S%2FC15H16O2%2Fc1-15%282%2C11-3-7-13%2816%298-4-11%2912-5-9-14%2817%2910-6-12%2Fh3-10%2C16-17H%2C1-2H3,10.0,18.0,40.46,0.111111111111111,68.3416,12.0,88.0,212.162994384766,18.0,0.0,2.0,13.4320987654321,17.0,5.32544378698225,2.0,2.0,3.0625,9.0,2.0,3.4237 -InChI%3D1S%2FC9H16ClN5%2Fc1-5%282%2911-8-13-7%2810%2914-9%2815-8%2912-6%283%294%2Fh5-6H%2C1-4H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29,8.0,15.0,69.19,0.133333333333333,59.3464,6.0,70.0,213.586996078491,15.0,1.0,2.0,13.0666666666667,15.0,5.915,3.0,2.0,5.04,7.0,3.0,1.0094 -InChI%3D1S%2FC22H19Br2NO3%2Fc1-22%282%2917%2812-19%2823%2924%2920%2822%2921%2826%2928-18%2813-25%2914-7-6-10-16%2811-14%2927-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,15.0,30.0,59.32,0.233333333333333,114.102,12.0,146.0,486.053990364075,30.0,2.0,0.0,22.68,28.0,9.87128177393186,4.0,7.0,5.3890306122449,14.0,4.0,6.49018 -InChI%3D1S%2FC13H17F3N4O4%2Fc1-3-5-18%286-4-2%2911-9%2819%2821%2922%297-8%2813%2814%2C15%2916%2910%2817%2912%2811%2920%2823%2924%2Fh7H%2C3-6%2C17H2%2C1-2H3,9.0,24.0,120.9,0.333333333333333,86.2954,6.0,118.0,333.160991668701,24.0,3.0,0.0,22.0416666666667,24.0,9.08734693877551,6.0,8.0,5.25,8.0,2.0,4.7768 -InChI%3D1S%2FC11H12NO4PS2%2Fc1-15-17%2818%2C16-2%2919-7-12-10%2813%298-5-3-4-6-9%288%2911%2812%2914%2Fh3-6H%2C7H2%2C1-2H3,9.0,20.0,123.04,0.25,75.7092,6.0,98.0,305.231998443604,20.0,0.0,0.0,15.39,19.0,6.18549346016647,7.0,5.0,3.02958579881657,8.0,7.0,3.0791 -InChI%3D1S%2FC6H7NO%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4%2C8H%2C7H2,5.0,8.0,46.25,0.0,32.5192,6.0,36.0,102.071997642517,8.0,0.0,1.0,6.125,8.0,2.52,2.0,0.0,1.8,4.0,2.0,0.9744 -InChI%3D1S%2FC11H10ClNO3S%2Fc1-2-16-9%2814%296-13-10-7%2812%294-3-5-8%2810%2917-11%2813%2915%2Fh3-5H%2C2%2C6H2%2C1H3,9.0,18.0,76.54,0.222222222222222,67.728,10.0,86.0,261.644995689392,18.0,1.0,0.0,13.4320987654321,17.0,5.76,3.0,4.0,2.87970615243343,8.0,5.0,2.2795 -InChI%3D1S%2FC14H18N2O4%2Fc1-10-5-4-6-11%282%2913%2810%2916%2812%2817%299-19-3%2915-7-8-20-14%2815%2918%2Fh4-6H%2C7-9H2%2C1-3H3,8.0,21.0,59.08,0.238095238095238,71.1122,6.0,100.0,260.163993835449,21.0,0.0,0.0,16.3718820861678,20.0,7.31985731272295,6.0,5.0,3.62130177514793,7.0,6.0,1.5879 -InChI%3D1S%2FC14H17Cl2NO2%2Fc1-14%287-3-2-4-8-14%2913%2819%2917-9-5-6-10%2818%2912%2816%2911%289%2915%2Fh5-6%2C18H%2C2-4%2C7-8H2%2C1H3%2C%28H%2C17%2C19%29,10.0,20.0,52.82,0.1,79.0426,6.0,98.0,285.064992904663,20.0,2.0,2.0,15.39,19.0,6.18549346016647,3.0,2.0,3.36596055514974,9.0,3.0,5.2574 -InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%295-7%286%292%2Fh3-5%2C9H%2C1-2H3,5.0,9.0,20.23,0.0,37.5808,6.0,42.0,112.086997032166,9.0,0.0,1.0,7.11111111111111,9.0,2.72222222222222,1.0,0.0,1.70414201183432,4.0,1.0,2.009 -InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3,6.0,12.0,44.76,0.166666666666667,41.265,0.0,56.0,160.083995819092,12.0,0.0,0.0,10.0833333333333,12.0,4.296875,4.0,2.0,3.515625,5.0,4.0,1.047 -InChI%3D1S%2FC9H11BrN2O2%2Fc1-12%2814-2%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29,9.0,14.0,41.57,0.285714285714286,57.9327,6.0,64.0,248.014995574951,14.0,1.0,1.0,12.0714285714286,14.0,5.77777777777778,4.0,4.0,3.96,8.0,4.0,2.4742 -InChI%3D1S%2FC13H11N3%2Fc14-10-3-1-8-5-9-2-4-11%2815%297-13%289%2916-12%288%296-10%2Fh1-7H%2C14-15H2,8.0,18.0,64.93,0.0,68.0738,16.0,88.0,198.163995742798,18.0,0.0,0.0,11.1111111111111,16.0,4.3491124260355,3.0,0.0,2.20415224913495,7.0,3.0,2.5524 -InChI%3D1S%2FC7H16N%2Fc1-8%282%296-4-3-5-7-8%2Fh3-7H2%2C1-2H3,4.0,8.0,0.0,0.0,35.0522,0.0,38.0,98.0839977264404,8.0,0.0,0.0,6.125,8.0,2.08264462809917,0.0,0.0,1.8,3.0,0.0,1.2055 -InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,3.0,5.0,0.0,0.2,30.988,0.0,22.0,165.833995819092,5.0,4.0,0.0,6.0,6.0,2.22222222222222,0.0,1.0,3.0,2.0,0.0,2.5938 -InChI%3D1S%2FC22H19Cl2NO3%2Fc1-22%282%2917%2812-19%2823%2924%2920%2822%2921%2826%2928-18%2813-25%2914-7-6-10-16%2811-14%2927-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,15.0,30.0,59.32,0.233333333333333,107.954,12.0,146.0,397.151989936829,30.0,2.0,0.0,22.68,28.0,9.87128177393186,4.0,7.0,5.3890306122449,14.0,4.0,6.17798 -InChI%3D1S%2FC14H18ClN3O2%2Fc1-14%282%2C3%2912%2819%2913%2818-9-16-8-17-18%2920-11-6-4-10%2815%295-7-11%2Fh4-9%2C12-13%2C19H%2C1-3H3,9.0,21.0,60.17,0.238095238095238,76.6008,11.0,102.0,277.625993728638,21.0,1.0,1.0,16.3718820861678,20.0,6.84,4.0,5.0,4.49632653061224,8.0,5.0,2.9161 -InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,7.0,9.0,79.48,0.333333333333333,43.6968,0.0,38.0,152.13399887085,9.0,0.0,1.0,10.0,10.0,5.76,5.0,3.0,5.53086419753086,6.0,5.0,1.2432 -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%2C1-2H3,10.0,20.0,133.44,0.25,79.918,11.0,96.0,305.235999107361,20.0,0.0,0.0,15.39,19.0,6.63520408163265,7.0,5.0,3.55555555555556,9.0,8.0,2.6501 -InChI%3D1S%2FC11H23NOS%2Fc1-6-14-11%2813%2912%287-9%282%293%298-10%284%295%2Fh9-10H%2C6-8H2%2C1-5H3,7.0,13.0,45.61,0.538461538461538,64.777,0.0,58.0,194.193997383118,13.0,0.0,0.0,14.0,14.0,7.3125,3.0,7.0,7.04,6.0,3.0,3.4735 -InChI%3D1S%2FC16H17F5N2O2S%2Fc1-7%282%296-8-9%2815%2824%2925-3%2911%2813%2817%2918%2923-12%2816%2819%2C20%2921%2910%288%2914-22-4-5-26-14%2Fh7%2C13H%2C4-6H2%2C1-3H3,8.0,27.0,76.85,0.259259259259259,85.1307,6.0,134.0,379.24499130249,27.0,5.0,0.0,22.2908093278464,26.0,9.0,5.0,7.0,5.09342560553633,7.0,5.0,3.9521 -InChI%3D1S%2FC6H3N3O6%2Fc10-7%2811%294-1-5%288%2812%2913%293-6%282-4%299%2814%2915%2Fh1-3H,6.0,15.0,137.46,0.2,52.908,6.0,72.0,210.080995559692,15.0,0.0,0.0,13.0666666666667,15.0,5.36507936507936,6.0,3.0,3.5,5.0,0.0,2.9808 -InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,6.0,10.0,54.57,0.4,42.4985,0.0,46.0,213.919996261597,10.0,2.0,0.0,11.0,11.0,4.79289940828402,4.0,4.0,4.44444444444444,5.0,4.0,2.6804 -InChI%3D1S%2FC25H24F6N4%2Fc1-23%282%2915-32-22%2833-16-23%2935-34-21%2813-7-17-3-9-19%2810-4-17%2924%2826%2C27%2928%2914-8-18-5-11-20%2812-6-18%2925%2829%2C30%2931%2Fh3-14H%2C15-16H2%2C1-2H3%2C%28H2%2C32%2C33%2C35%29,16.0,37.0,48.78,0.216216216216216,120.2498,12.0,182.0,470.290987014771,37.0,6.0,2.0,29.554419284149,35.0,12.6975308641975,4.0,8.0,10.0017236426314,15.0,4.0,6.14620000000001 -InChI%3D1S%2FP4%2Fc1-2-3%281%294%281%292,1.0,6.0,54.36,0.0,27.68,0.0,36.0,123.896003723145,6.0,0.0,0.0,1.0,4.0,0.0833333333333333,4.0,0.0,0.00694444444444444,0.0,0.0,3.4448 -InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,4.0,4.0,0.0,0.25,25.713,0.0,14.0,106.938997268677,4.0,2.0,0.0,5.0,5.0,4.0,0.0,1.0,4.0,3.0,0.0,1.9777 -InChI%3D1S%2FC49H73NO14%2Fc1-25%282%2943-28%285%2917-18-48%2864-43%2923-35-20-34%2863-48%2916-15-27%284%2944%2826%283%2913-12-14-33-24-57-46-42%2852%2929%286%2919-36%2847%2853%2960-35%2949%2833%2C46%2954%2961-40-22-38%2856-11%2945%2831%288%2959-40%2962-39-21-37%2855-10%2941%2830%287%2958-39%2950-32%289%2951%2Fh12-15%2C17-19%2C25-26%2C28%2C30-31%2C34-46%2C52%2C54H%2C16%2C20-24H2%2C1-11H3%2C%28H%2C50%2C51%29,23.0,70.0,182.42,0.114285714285714,236.2074,0.0,350.0,826.531978607178,70.0,0.0,3.0,51.84,64.0,21.9657142857143,15.0,8.0,11.4667709912465,22.0,15.0,5.9714 -InChI%3D1S%2FC7H5N3O6%2Fc1-4-6%289%2813%2914%292-5%288%2811%2912%293-7%284%2910%2815%2916%2Fh2-3H%2C1H3,6.0,16.0,137.46,0.1875,57.645,6.0,78.0,222.091995239258,16.0,0.0,0.0,14.0625,16.0,5.55765595463138,6.0,3.0,3.25,5.0,0.0,3.2892 -InChI%3D1S%2FC17H29NO3S%2Fc1-5-8-14%2818-21-6-2%2917-15%2819%2910-13%2811-16%2817%2920%299-12%284%2922-7-3%2Fh12-13%2C17H%2C5-11H2%2C1-4H3,13.0,22.0,81.03,0.409090909090909,92.408,0.0,100.0,298.257994651794,22.0,0.0,0.0,20.0454545454545,22.0,10.7142857142857,5.0,9.0,6.57439446366782,12.0,5.0,3.8751 -InChI%3D1S%2FC19H34O3%2Fc1-15%282%2922-18%2820%2914-17%284%2911-8-10-16%283%2912-9-13-19%285%2C6%2921-7%2Fh8%2C11%2C14-16H%2C9-10%2C12-13H2%2C1-7H3,15.0,21.0,35.53,0.523809523809524,92.845,0.0,96.0,276.205992698669,21.0,0.0,0.0,22.0,22.0,11.522633744856,3.0,11.0,13.1944444444444,14.0,3.0,5.062 -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%29,8.0,13.0,32.34,0.230769230769231,54.1577,6.0,60.0,187.564995765686,13.0,1.0,1.0,11.0769230769231,13.0,5.0242214532872,3.0,3.0,3.7037037037037,7.0,3.0,2.4335 -InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,2.0,2.0,0.0,0.0,16.573,0.0,6.0,82.9169979095459,2.0,2.0,0.0,3.0,3.0,2.0,0.0,0.0,0.0,1.0,0.0,1.4215 -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%2C1-2H3,9.0,19.0,54.57,0.263157894736842,78.0115,6.0,92.0,356.89199256897,19.0,4.0,0.0,17.0526315789474,19.0,7.1358024691358,4.0,5.0,4.23140495867769,8.0,4.0,5.6015 -InChI%3D1S%2FC8H10O%2Fc1-6-4-3-5-7%282%298%286%299%2Fh3-5%2C9H%2C1-2H3,4.0,9.0,20.23,0.0,37.5808,6.0,42.0,112.086997032166,9.0,0.0,1.0,7.11111111111111,9.0,2.72222222222222,1.0,0.0,1.46938775510204,3.0,1.0,2.009 -InChI%3D1S%2FC15H18Cl2N2O3%2Fc1-8%282%2921-12-7-11%289%2816%296-10%2812%2917%2919-14%2820%2922-13%2818-19%2915%283%2C4%295%2Fh6-8H%2C1-5H3,10.0,23.0,57.26,0.173913043478261,86.584,11.0,116.0,327.081992149353,23.0,2.0,0.0,18.3402646502836,22.0,6.85714285714286,3.0,4.0,4.30839002267574,9.0,5.0,4.217 -InChI%3D1S%2FC12H4Cl2F6N4OS%2Fc13-5-1-4%2811%2815%2C16%2917%292-6%2814%298%285%2924-10%2822%299%287%283-21%2923-24%2926%2825%2912%2818%2C19%2920%2Fh1-2H%2C22H2,11.0,27.0,103.91,0.148148148148148,80.3119,11.0,140.0,433.119990348816,27.0,8.0,0.0,22.2908093278464,26.0,7.78799351000541,4.0,4.0,4.54320987654321,10.0,5.0,5.14488 -InChI%3D1S%2FC17H9ClF8N2O4%2Fc18-8-6-7%284-5-11%288%2931-16%2822%2C23%2914%2821%2932-17%2824%2C25%2926%2927-15%2830%2928-13%2829%2912-9%2819%292-1-3-10%2812%2920%2Fh1-6%2C14H%2C%28H2%2C27%2C28%2C29%2C30%29,17.0,33.0,83.64,0.242424242424242,94.3106,12.0,164.0,483.633985519409,33.0,9.0,2.0,28.2387511478421,32.0,11.6201582673886,6.0,8.0,8.62809917355372,16.0,6.0,5.9721 -InChI%3D1S%2FC18H41N7%2Fc19-17%2820%2924-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18%2821%2922%2Fh23H%2C1-16H2%2C%28H4%2C19%2C20%2C24%29%28H4%2C21%2C22%2C25%29,22.0,24.0,140.41,0.833333333333333,109.031,0.0,98.0,314.246994018555,24.0,0.0,4.0,25.0,25.0,20.3136,6.0,20.0,24.0,21.0,6.0,1.1972 -InChI%3D1S%2FC6H11NO%2Fc8-6-4-2-1-3-5-7-6%2Fh1-5H2%2C%28H%2C7%2C8%29,4.0,8.0,32.59,0.0,30.59,0.0,34.0,102.071997642517,8.0,0.0,1.0,6.125,8.0,3.11111111111111,2.0,0.0,2.22222222222222,3.0,2.0,0.9525 -InChI%3D1S%2FC7H7Cl3NO3PS%2Fc1-12-15%2816%2C13-2%2914-7-5%289%293-4%288%296%2810%2911-7%2Fh3H%2C1-2H3,8.0,16.0,82.48,0.25,68.424,6.0,78.0,315.480996131897,16.0,3.0,0.0,14.0625,16.0,5.55765595463138,5.0,4.0,3.49519890260631,7.0,5.0,4.5885 -InChI%3D1S%2FC11H10Cl2F2N4O3S%2Fc1-5-16-19%2811%2820%2918%285%2910%2814%2915%299-4-8%2817-23%282%2C21%2922%296%2812%293-7%289%2913%2Fh3-4%2C10%2C17H%2C1-2H3,10.0,24.0,94.37,0.166666666666667,82.3447,11.0,122.0,377.114993095398,24.0,4.0,1.0,19.3263888888889,23.0,7.08692476260044,5.0,4.0,4.34567901234568,9.0,7.0,3.4966 -InChI%3D1S%2FC6H10O4S2%2Fc1-5-6%282%2912%289%2C10%294-3-11%285%2C7%298%2Fh3-4H2%2C1-2H3,5.0,12.0,85.04,0.0,46.036,0.0,64.0,200.195999145508,12.0,0.0,0.0,10.0833333333333,12.0,2.75,4.0,0.0,1.70132325141777,4.0,4.0,2.2426 -InChI%3D1S%2FC10H12ClNO2%2Fc1-7%282%2914-10%2813%2912-9-5-3-4-8%2811%296-9%2Fh3-7H%2C1-2H3%2C%28H%2C12%2C13%29,8.0,14.0,41.82,0.214285714285714,57.3968,6.0,64.0,201.567995071411,14.0,1.0,1.0,12.0714285714286,14.0,5.77777777777778,3.0,3.0,4.88888888888889,7.0,3.0,3.3105 -InChI%3D1S%2FC12H16ClNOS%2Fc1-3-14%284-2%2912%2815%2916-9-10-5-7-11%2813%298-6-10%2Fh5-8H%2C3-4%2C9H2%2C1-2H3,10.0,16.0,45.61,0.375,71.064,6.0,72.0,241.657996177673,16.0,1.0,0.0,14.0625,16.0,7.35,3.0,6.0,4.81663516068053,9.0,3.0,4.035 -InChI%3D1S%2FC14H16O6%2Fc1-3-18-12%2815%299-20-14%2817%2911-8-6-5-7-10%2811%2913%2816%2919-4-2%2Fh5-8H%2C3-4%2C9H2%2C1-2H3,12.0,20.0,78.9,0.45,69.314,6.0,90.0,264.147993087769,20.0,0.0,0.0,18.05,20.0,9.8496,6.0,9.0,6.12,11.0,6.0,1.5832 -InChI%3D1S%2FC3H6N6O6%2Fc10-7%2811%294-1-5%288%2812%2913%293-6%282-4%299%2814%2915%2Fh1-3H2,6.0,15.0,147.18,0.2,40.9446,0.0,72.0,216.068996429443,15.0,0.0,0.0,13.0666666666667,15.0,5.36507936507936,9.0,3.0,3.5,5.0,3.0,-0.2631 -InChI%3D1S%2FC10H7N3S%2Fc1-2-4-8-7%283-1%2912-10%2813-8%299-5-14-6-11-9%2Fh1-6H%2C%28H%2C12%2C13%29,7.0,16.0,69.81,0.0625,57.2017,15.0,76.0,194.197998046875,16.0,0.0,1.0,9.2421875,14.0,3.86776859504132,2.0,1.0,1.76,6.0,3.0,2.6864 -InChI%3D1S%2FC7H13N3O3S%2Fc1-8-7%2812%2913-9-5%2814-4%296%2811%2910%282%293%2Fh1-4H3%2C%28H%2C8%2C12%29,8.0,13.0,99.79,0.384615384615385,56.7168,0.0,58.0,206.161997795105,13.0,0.0,1.0,14.0,14.0,7.3125,7.0,5.0,5.48096885813149,7.0,7.0,0.3115 -InChI%3D1S%2FC12H14N4O4S2%2Fc1-19-11%2817%2915-9%2821%2913-7-5-3-4-6-8%287%2914-10%2822%2916-12%2818%2920-2%2Fh3-6H%2C1-2H3%2C%28H2%2C13%2C15%2C17%2C21%29%28H2%2C14%2C16%2C18%2C22%29,13.0,22.0,185.96,0.272727272727273,92.7496,6.0,100.0,328.28999710083,22.0,0.0,4.0,20.0454545454545,22.0,10.7142857142857,10.0,6.0,7.90842872008325,12.0,10.0,2.642 -InChI%3D1S%2FCH2O%2Fc1-2%2Fh1H2,1.0,1.0,17.07,0.0,7.121,0.0,2.0,28.0099992752075,1.0,0.0,0.0,2.0,2.0,0.0,1.0,0.0,0.0,0.0,1.0,-0.1849 -InChI%3D1S%2FC9H21O2PS3%2Fc1-6-10-12%2813%2C11-7-2%2915-8-14-9%283%2C4%295%2Fh6-8H2%2C1-5H3,8.0,14.0,110.96,0.571428571428571,77.565,0.0,66.0,267.272001266479,14.0,0.0,0.0,15.0,15.0,6.55401662049861,5.0,8.0,7.875,7.0,5.0,5.1569 -InChI%3D1S%2FC18H24N2O6%2Fc1-3-5-6-7-8-9-11-14-12-15%2819%2822%2923%2918%2816%2813-14%2920%2824%2925%2926-17%2821%2910-4-2%2Fh4%2C10%2C12-13H%2C3%2C5-9%2C11H2%2C1-2H3,16.0,26.0,117.94,0.461538461538462,101.615,6.0,118.0,340.205991744995,26.0,0.0,0.0,24.0384615384615,26.0,13.2231404958678,6.0,12.0,8.71005917159763,15.0,2.0,5.9339 -InChI%3D1S%2FC22H23ClN2O9%2Fc1-21%2833%2911-6%2823%294-5-7%2826%298%2811%2915%2827%299-12%2821%2917%2829%2913-14%2825%282%293%2916%2828%2910%2820%2824%2932%2919%2831%2922%2813%2C34%2918%289%2930%2Fh4-5%2C12-14%2C17%2C26-27%2C29%2C32-34H%2C24H2%2C1-3H3,11.0,37.0,203.05,0.027027027027027,117.7689,6.0,198.0,471.699988365173,37.0,1.0,7.0,27.0460189919649,34.0,8.79084287200832,10.0,1.0,3.51734072022161,10.0,10.0,-2.1639
\ No newline at end of file +SMILES,NumberOfBonds,FractionRotatableBonds,KierShape1,ZagrebIndex1,MolarRefractivity,KierShape2,AromaticBonds,KierShape3,MolecularWeight,TopologicalDiameter,NumberOfHal,PolarSurfaceArea,HeavyBonds,HBD2,GraphShapeCoefficient,NumberOfAtoms,HBA1,RotatableBonds,LogP,HBA2 +InChI%3D1S%2FC13H12BrCl2N3O%2Fc14-9-4-13%2820-5-9%2C6-19-8-17-7-18-19%2911-2-1-10%2815%293-12%2811%2916%2Fh1-3%2C7-9H%2C4-6H2,22.0,0.136363636363636,14.9173553719008,108.0,81.446,6.01171875,11.0,3.12244897959184,364.972992897034,9.0,3.0,39.94,22.0,0.0,8.0,20.0,3.0,3.0,3.6642,4.0 +InChI%3D1S%2FC12H14N2%2Fc1-13-7-3-11%284-8-13%2912-5-9-14%282%2910-6-12%2Fh3-10H%2C1-2H3,15.0,0.0,10.5155555555556,70.0,54.6724,4.68,0.0,2.75,172.14599609375,9.0,0.0,6.48,15.0,0.0,8.0,14.0,2.0,0.0,2.1044,2.0 +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,21.0,0.142857142857143,16.3718820861678,106.0,86.1928,6.01171875,12.0,3.27662105889352,361.417990684509,10.0,5.0,20.23,21.0,1.0,9.0,20.0,1.0,3.0,5.5995,1.0 +InChI%3D1S%2FC20H22N4O6S%2Fc1-28-12-17%2825%2921-16-11-14%2831-13-7-5-4-6-8-13%299-10-15%2816%2922-18%2823-19%2826%2929-2%2924-20%2827%2930-3%2Fh4-11H%2C12H2%2C1-3H3%2C%28H%2C21%2C25%29%28H2%2C22%2C23%2C24%2C26%2C27%29,32.0,0.3125,27.24609375,146.0,119.8474,15.0089232599643,12.0,10.2083333333333,424.308992385864,14.0,0.0,163.12,32.0,3.0,13.0,31.0,11.0,10.0,4.1805,11.0 +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%2C3-4H2,19.0,0.157894736842105,14.409972299169,96.0,72.5092,5.17479191438763,0.0,2.65927977839335,339.993993759155,8.0,4.0,62.68,19.0,0.0,7.0,18.0,4.0,3.0,3.4588,4.0 +InChI%3D1S%2FC7H12ClN5%2Fc1-3-9-6-11-5%288%2912-7%2813-6%2910-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29,13.0,0.153846153846154,11.0769230769231,58.0,50.1564,5.671875,6.0,3.7037037037037,189.56499671936,8.0,1.0,69.19,13.0,2.0,7.0,13.0,3.0,2.0,0.2324,3.0 +InChI%3D1S%2FC8H6Cl2O3%2Fc9-5-1-2-7%286%2810%293-5%2913-4-8%2811%2912%2Fh1-3H%2C4H2%2C%28H%2C11%2C12%29,13.0,0.230769230769231,11.0769230769231,60.0,47.6505,5.0242214532872,6.0,3.7037037037037,214.99099445343,8.0,2.0,49.36,13.0,1.0,7.0,13.0,2.0,3.0,1.1221,3.0 +InChI%3D1S%2FC15H12F3NO4S%2Fc1-24%2821%2C22%2912-6-9%2815%2816%2C17%2918%294-5-10%2812%2913%2820%2911-7-19-23-14%2811%298-2-3-8%2Fh4-8H%2C2-3H2%2C1H3,26.0,0.192307692307692,18.7810650887574,134.0,76.5085,6.622248661511,11.0,3.75887573964497,347.228992462158,10.0,3.0,85.62,26.0,0.0,9.0,24.0,4.0,5.0,4.2861,5.0 +InChI%3D1S%2FC16H12ClF4N3O4%2Fc1-2-22%288-10-11%2817%294-3-5-12%2810%2918%2915-13%2823%2825%2926%296-9%2816%2819%2C20%2921%297-14%2815%2924%2827%2928%2Fh3-7H%2C2%2C8H2%2C1H3,29.0,0.241379310344828,24.2711058263971,144.0,97.222,9.87128177393186,12.0,5.79561042524005,409.637989044189,11.0,5.0,94.88,29.0,0.0,10.0,28.0,5.0,7.0,6.3872,1.0 +InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3-8H%2C1-2H3,11.0,0.181818181818182,9.09090909090909,48.0,47.702,4.79289940828402,6.0,2.84444444444444,136.108996391296,8.0,0.0,9.23,11.0,0.0,7.0,11.0,1.0,2.0,2.7283,1.0 +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%2C1-4H3,28.0,0.571428571428571,26.0357142857143,124.0,113.619,15.7889273356401,6.0,10.0535395597858,352.259990692139,17.0,0.0,52.6,28.0,0.0,16.0,28.0,4.0,16.0,6.43300000000001,4.0 +InChI%3D1S%2FC15H11BrClF3N2O%2Fc1-2-23-8-22-13%289-3-5-10%2817%296-4-9%2911%287-21%2912%2816%2914%2822%2915%2818%2C19%2920%2Fh3-6H%2C2%2C8H2%2C1H3,24.0,0.208333333333333,19.3263888888889,118.0,83.921,7.92,11.0,4.15879017013232,396.528990745544,10.0,5.0,37.95,24.0,0.0,9.0,23.0,2.0,5.0,5.45548,3.0 +InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,6.0,0.166666666666667,7.0,30.0,27.4046,1.85185185185185,0.0,2.66666666666667,162.378995895386,3.0,3.0,40.46,6.0,2.0,2.0,7.0,2.0,1.0,1.5911,2.0 +InChI%3D1S%2FC14H16ClN5O5S%2Fc1-9-16-12%2819-14%2817-9%2924-2%2918-13%2821%2920-26%2822%2C23%2911-6-4-3-5-10%2811%2925-8-7-15%2Fh3-6H%2C7-8H2%2C1-2H3%2C%28H2%2C16%2C17%2C18%2C19%2C20%2C21%29,27.0,0.259259259259259,22.2908093278464,128.0,93.1855,10.518626734843,12.0,6.84297520661157,385.703993797302,14.0,1.0,147.5,27.0,2.0,13.0,26.0,9.0,7.0,2.0237,9.0 +InChI%3D1S%2FC19H22FN3O%2Fc20-17-8-6-16%287-9-17%2918%2824%294-3-11-22-12-14-23%2815-13-22%2919-5-1-2-10-21-19%2Fh1-2%2C5-10H%2C3-4%2C11-15H2,26.0,0.230769230769231,18.7810650887574,120.0,88.3976,9.62975778546713,12.0,5.76190476190476,305.226992607117,16.0,1.0,37.64,26.0,1.0,15.0,24.0,3.0,6.0,3.2229,3.0 +InChI%3D1S%2FC10H14NO5PS%2Fc1-3-14-17%2818%2C15-4-2%2916-10-7-5-9%286-8-10%2911%2812%2913%2Fh5-8H%2C3-4H2%2C1-2H3,18.0,0.388888888888889,16.0555555555556,84.0,73.655,7.55555555555556,6.0,5.26748971193416,277.152997016907,10.0,0.0,115.41,18.0,0.0,9.0,18.0,6.0,7.0,4.4449,4.0 +InChI%3D1S%2FC17H14ClF7O2%2Fc1-6-11%2819%2913%2821%297%2814%2822%2912%286%2920%295-27-15%2826%2910-8%2816%2810%2C2%293%294-9%2818%2917%2823%2C24%2925%2Fh4%2C8%2C10H%2C5H2%2C1-3H3,28.0,0.214285714285714,23.280612244898,146.0,81.559,8.02469135802469,6.0,4.30221200804367,404.623987197876,13.0,8.0,26.3,28.0,0.0,12.0,27.0,2.0,6.0,5.5518,2.0 +InChI%3D1S%2FC14H12FNO3%2Fc1-7-2-3-8-4-9%2815%295-10-12%288%2916%287%296-11%2813%2810%2917%2914%2818%2919%2Fh4-7H%2C2-3H2%2C1H3%2C%28H%2C18%2C19%29,21.0,0.0476190476190476,13.9591836734694,106.0,66.215,5.080078125,11.0,2.27555555555556,249.155993461609,7.0,1.0,62.13,21.0,1.0,6.0,19.0,2.0,1.0,1.0113,4.0 +InChI%3D1S%2FC13H15N3O3%2Fc1-7%282%2913%283%2912%2819%2915-10%2816-13%299-8%2811%2817%2918%295-4-6-14-9%2Fh4-7H%2C1-3H3%2C%28H%2C17%2C18%29%28H%2C15%2C16%2C19%29,20.0,0.15,15.39,100.0,61.8141,5.78,6.0,2.88,246.160994529724,8.0,0.0,94.48,20.0,2.0,7.0,19.0,5.0,3.0,-0.499399999999999,6.0 +InChI%3D1S%2FC9H7N3S%2Fc1-6-3-2-4-7-8%286%2912-5-10-11-9%2812%2913-7%2Fh2-5H%2C1H3,15.0,0.0,8.32,74.0,53.107,3.0,14.0,1.171875,182.18699836731,6.0,0.0,58.43,15.0,0.0,5.0,13.0,2.0,0.0,2.2524,4.0 +InChI%3D1S%2FC2H7O3P%2Fc1-4-6%283%295-2%2Fh6H%2C1-2H3,5.0,0.4,6.0,20.0,21.6245,3.2,0.0,3.0,102.992999076843,4.0,0.0,69.67,5.0,0.0,3.0,6.0,4.0,2.0,0.9366,3.0 +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%2C1H3,22.0,0.227272727272727,17.3553719008264,106.0,82.5358,7.51300728407908,12.0,3.85484830458061,311.078991889954,10.0,2.0,46.53,22.0,1.0,9.0,21.0,3.0,5.0,3.7924,3.0 +InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,14.0,0.0714285714285714,9.55102040816327,64.0,53.5428,4.48148148148148,12.0,2.26843100189036,160.130995750427,7.0,0.0,20.23,14.0,1.0,6.0,13.0,1.0,1.0,3.0592,1.0 +InChI%3D1S%2FC11H15NO2%2Fc1-7-5-10%2814-11%2813%2912-4%296-8%282%299%287%293%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,14.0,0.142857142857143,12.0714285714286,66.0,57.2688,5.18559556786704,6.0,3.27272727272727,178.125995635986,8.0,0.0,41.82,14.0,1.0,7.0,14.0,3.0,2.0,2.5344,3.0 +InChI%3D1S%2FC9H16N4OS%2Fc1-9%282%2C3%296-11-12-8%2815-6%2913%285%297%2814%2910-4%2Fh1-5H3%2C%28H%2C10%2C14%29,15.0,0.2,13.0666666666667,74.0,62.9998,4.88842975206612,5.0,3.2256,212.192997932434,8.0,0.0,89.85,15.0,1.0,7.0,15.0,5.0,3.0,1.8156,6.0 +InChI%3D1S%2FC11H15NO2S%2Fc1-7-5-9%2814-11%2813%2912-3%296-8%282%2910%287%2915-4%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,15.0,0.2,13.0666666666667,70.0,64.3128,5.915,6.0,3.5,210.19299697876,9.0,0.0,67.12,15.0,1.0,8.0,15.0,4.0,3.0,2.9479,4.0 +InChI%3D1S%2FC22H28N2O3%2Fc1-14-11-15%282%2913-17%2812-14%2921%2826%2924%2822%284%2C5%296%2923-20%2825%2918-9-8-10-19%2827-7%2916%2818%293%2Fh8-13H%2C1-7H3%2C%28H%2C23%2C25%29,28.0,0.214285714285714,23.280612244898,138.0,108.7353,9.66686496133254,12.0,5.9904,340.252991676331,12.0,0.0,62.13,28.0,1.0,11.0,27.0,5.0,6.0,4.7809,5.0 +InChI%3D1S%2FC6H8N2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H%2C7-8H2,9.0,0.0,7.11111111111111,42.0,36.9316,2.72222222222222,6.0,1.70414201183432,116.078997612,5.0,0.0,72.27,9.0,1.0,4.0,9.0,3.0,0.0,0.5566,3.0 +InChI%3D1S%2FC14H16ClN3O2%2Fc1-14%282%2C3%2912%2819%2913%2818-9-16-8-17-18%2920-11-6-4-10%2815%295-7-11%2Fh4-9%2C13H%2C1-3H3,21.0,0.238095238095238,16.3718820861678,102.0,75.601,6.84,11.0,4.49632653061224,277.625993728638,9.0,1.0,57.01,21.0,0.0,8.0,20.0,4.0,5.0,3.1243,5.0 +InChI%3D1S%2FC12H10Cl2F3NO%2Fc13-5-7-6-18%2811%2819%2910%287%2914%299-3-1-2-8%284-9%2912%2815%2C16%2917%2Fh1-4%2C7%2C10H%2C5-6H2,20.0,0.15,15.39,100.0,64.4482,5.78,6.0,3.19113573407202,302.037991523743,9.0,5.0,20.31,20.0,0.0,8.0,19.0,2.0,3.0,3.5794,2.0 +InChI%3D1S%2FC8H10N2O4S%2Fc1-14-8%2811%2910-15%2812%2C13%297-4-2-6%289%293-5-7%2Fh2-5H%2C9H2%2C1H3%2C%28H%2C10%2C11%29,15.0,0.2,13.0666666666667,72.0,55.1572,5.36507936507936,6.0,3.8109640831758,220.16499710083,9.0,0.0,110.36,15.0,1.0,8.0,15.0,6.0,3.0,1.5987,6.0 +InChI%3D1S%2FC17H9Cl3N4O2%2Fc18-10-3-1-9%282-4-10%2911%287-21%2915-12%2819%295-6-13%2816%2815%2920%2924-17%2826%2923-14%2825%298-22-24%2Fh1-6%2C8%2C11H%2C%28H%2C23%2C25%2C26%29,28.0,0.107142857142857,20.7270408163265,136.0,98.2218,9.0,18.0,4.54320987654321,398.571990966797,13.0,3.0,91.8,28.0,1.0,12.0,26.0,5.0,3.0,3.94878,6.0 +InChI%3D1S%2FC5H5N3O%2Fc6-5%289%294-3-7-1-2-8-4%2Fh1-3H%2C%28H2%2C6%2C9%29,9.0,0.111111111111111,7.11111111111111,40.0,31.4895,3.2396694214876,6.0,2.0,118.074997901917,5.0,0.0,69.86,9.0,2.0,4.0,9.0,4.0,1.0,0.36,4.0 +InChI%3D1S%2FC7H14NO5P%2Fc1-6%285-7%289%298-2%2913-14%2810%2C11-3%2912-4%2Fh5H%2C1-4H3%2C%28H%2C8%2C9%29,13.0,0.384615384615385,14.0,60.0,52.4543,6.47750865051903,0.0,5.48096885813149,209.052996635437,8.0,0.0,87.16,13.0,1.0,7.0,14.0,6.0,5.0,1.894,6.0 +InChI%3D1S%2FC4H6O2%2Fc1-3%282%294%285%296%2Fh1H2%2C2H3%2C%28H%2C5%2C6%29,5.0,0.2,6.0,22.0,20.5075,2.22222222222222,0.0,3.0,80.0419979095459,3.0,0.0,40.13,5.0,1.0,2.0,6.0,1.0,1.0,-0.6876,2.0 +InChI%3D1S%2FC22H18N2O4%2Fc1-22%2816-12-14-19%2815-13-16%2927-18-10-6-3-7-11-18%2920%2825%2924%2821%2826%2928-22%2923-17-8-4-2-5-9-17%2Fh2-15%2C23H%2C1H3,31.0,0.161290322580645,21.2403746097815,150.0,101.4819,9.42768595041322,18.0,4.85492674518816,356.251991271973,16.0,0.0,67.87,31.0,1.0,15.0,28.0,6.0,5.0,4.6379,6.0 +InChI%3D1S%2FC19H15ClF3NO7%2Fc1-3-29-17%2825%2910%282%2930-18%2826%2913-9-12%285-7-15%2813%2924%2827%2928%2931-16-8-11%2819%2821%2C22%2923%294-6-14%2816%2920%2Fh4-10H%2C3H2%2C1-2H3,32.0,0.3125,27.24609375,156.0,103.3025,11.9234404536862,12.0,7.77520661157025,446.655987739563,15.0,4.0,107.65,32.0,0.0,14.0,31.0,7.0,10.0,5.6909,5.0 +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%2C1-4H3,18.0,0.611111111111111,19.0,82.0,77.791,9.8336483931947,0.0,7.3728,311.21199798584,9.0,0.0,138.26,18.0,0.0,8.0,19.0,8.0,11.0,2.7724,8.0 +InChI%3D1S%2FC22H17ClF3N3O7%2Fc1-33-18%2830%2921-10-12-9-13%2823%293-8-16%2812%2917%2821%2927-28%2811-35-21%2919%2831%2929%2820%2832%2934-2%2914-4-6-15%287-5-14%2936-22%2824%2C25%2926%2Fh3-9H%2C10-11H2%2C1-2H3,39.0,0.230769230769231,28.9940828402367,196.0,112.6074,11.6230968112611,12.0,6.11248197404262,510.702986717224,16.0,4.0,106.97,39.0,0.0,15.0,36.0,10.0,9.0,3.4668,10.0 +InChI%3D1S%2FC15H17N5O6S%2Fc1-9-16-13%2818-14%2817-9%2926-4%2920%282%2915%2822%2919-27%2823%2C24%2911-8-6-5-7-10%2811%2912%2821%2925-3%2Fh5-8H%2C1-4H3%2C%28H%2C19%2C22%29,28.0,0.25,23.280612244898,136.0,94.5943,10.15625,12.0,5.9904,378.26099395752,13.0,0.0,152.55,28.0,1.0,12.0,27.0,11.0,7.0,1.7951,11.0 +InChI%3D1S%2FC11H14ClNO%2Fc1-9%282%2913%2811%2814%298-12%2910-6-4-3-5-7-10%2Fh3-7%2C9H%2C8H2%2C1-2H3,14.0,0.285714285714286,12.0714285714286,64.0,59.784,5.77777777777778,6.0,3.27272727272727,197.579995155334,7.0,1.0,20.31,14.0,0.0,6.0,14.0,2.0,4.0,2.6668,2.0 +InChI%3D1S%2FC9H9ClO3%2Fc1-6-4-7%2810%292-3-8%286%2913-5-9%2811%2912%2Fh2-4H%2C5H2%2C1H3%2C%28H%2C11%2C12%29,13.0,0.230769230769231,11.0769230769231,60.0,47.3775,5.0242214532872,6.0,3.7037037037037,191.548995018005,8.0,1.0,49.36,13.0,1.0,7.0,13.0,2.0,3.0,0.7771,3.0 +InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3,12.0,0.25,10.0833333333333,56.0,42.8718,4.296875,5.0,2.25,162.083996772766,6.0,0.0,83.87,12.0,1.0,5.0,12.0,4.0,3.0,0.6152,3.0 +InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H,14.0,0.142857142857143,9.55102040816327,62.0,56.1667,5.0242214532872,12.0,3.0,158.138996124268,8.0,0.0,12.03,14.0,1.0,7.0,13.0,1.0,2.0,3.4302,0.0 +InChI%3D1S%2FC15H15F3N2O2%2Fc1-10%282%2914%2821%2C12-7-19-9-20-8-12%2911-3-5-13%286-4-11%2922-15%2816%2C17%2918%2Fh3-10%2C21H%2C1-2H3,23.0,0.217391304347826,18.3402646502836,114.0,72.9938,7.26643598615917,12.0,4.52111838191553,297.170991897583,11.0,3.0,55.24,23.0,1.0,10.0,22.0,4.0,5.0,3.2671,4.0 +InChI%3D1S%2FC19H15ClF3NO7%2Fc1-3-29-17%2825%2910%282%2930-18%2826%2913-9-12%285-6-15%2813%2924%2827%2928%2931-16-7-4-11%288-14%2816%2920%2919%2821%2C22%2923%2Fh4-10H%2C3H2%2C1-2H3,32.0,0.3125,27.24609375,156.0,103.3025,11.9234404536862,12.0,7.77520661157025,446.655987739563,16.0,4.0,107.65,32.0,0.0,15.0,31.0,7.0,10.0,5.6909,5.0 +InChI%3D1S%2FC15H21ClN2O2%2Fc1-4-12-7-6-8-13%285-2%2915%2812%2918%2814%2820%299-16%2910-17-11%283%2919%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3%2C%28H%2C17%2C19%29,20.0,0.35,18.05,92.0,84.0088,9.10650887573964,6.0,5.05785123966942,275.629993438721,8.0,1.0,52.9,20.0,1.0,7.0,20.0,4.0,7.0,3.3171,4.0 +InChI%3D1S%2FC20H33NO%2Fc1-15%2812-21-13-16%282%2922-17%283%2914-21%2911-18-7-9-19%2810-8-18%2920%284%2C5%296%2Fh7-10%2C15-17H%2C11-14H2%2C1-6H3,23.0,0.217391304347826,18.3402646502836,112.0,93.2019,7.71349862258953,6.0,5.8641975308642,270.225993156433,12.0,0.0,13.67,23.0,1.0,11.0,22.0,1.0,5.0,4.424,1.0 +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%29,16.0,0.1875,14.0625,76.0,60.8114,6.07438016528926,6.0,4.81663516068053,227.593996047974,9.0,1.0,89.75,16.0,2.0,8.0,16.0,5.0,3.0,1.09278,5.0 +InChI%3D1S%2FC8H19O2PS3%2Fc1-4-9-11%2812%2C10-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3,13.0,0.692307692307692,14.0,56.0,73.22,8.32,0.0,7.04,255.261001586914,9.0,0.0,110.96,13.0,0.0,8.0,14.0,5.0,9.0,4.4208,5.0 +InChI%3D1S%2FC22H28N2O2%2Fc1-7-17-8-10-18%2811-9-17%2920%2825%2923-24%2822%284%2C5%296%2921%2826%2919-13-15%282%2912-16%283%2914-19%2Fh8-14H%2C7H2%2C1-6H3%2C%28H%2C23%2C25%29,27.0,0.259259259259259,22.2908093278464,132.0,105.1247,9.46745562130178,12.0,6.26086956521739,324.253992080688,13.0,0.0,49.41,27.0,1.0,12.0,26.0,4.0,7.0,4.4515,4.0 +InChI%3D1S%2FC16H16N2O4%2Fc1-11-5-3-6-12%289-11%2918-16%2820%2922-14-8-4-7-13%2810-14%2917-15%2819%2921-2%2Fh3-10H%2C1-2H3%2C%28H%2C17%2C19%29%28H%2C18%2C20%29,23.0,0.217391304347826,18.3402646502836,106.0,84.7056,9.33333333333333,12.0,6.57439446366782,284.18599319458,13.0,0.0,83.64,23.0,2.0,12.0,22.0,6.0,5.0,3.8114,6.0 +InChI%3D1S%2FC18H34O6%2Fc1-2-3-4-5-6-7-8-9-10-11-16%2821%2923-13-15%2820%2918-17%2822%2914%2819%2912-24-18%2Fh14-15%2C17-20%2C22H%2C2-13H2%2C1H3,24.0,0.583333333333333,22.0416666666667,106.0,90.5634,13.2366230677765,0.0,9.33333333333333,312.19199180603,18.0,0.0,96.22,24.0,3.0,17.0,24.0,6.0,14.0,1.932,6.0 +InChI%3D1S%2FC11H20N3O3PS%2Fc1-6-14%287-2%2911-12-9%283%298-10%2813-11%2917-18%2819%2C15-4%2916-5%2Fh8H%2C6-7H2%2C1-5H3,19.0,0.368421052631579,17.0526315789474,90.0,79.487,7.69526627218935,6.0,4.79500520291363,285.179997444153,9.0,0.0,98.61,19.0,0.0,8.0,19.0,7.0,7.0,3.1779,7.0 +InChI%3D1S%2FC18H19NO4%2Fc1-13-8-4-7-11-16%2813%2923-12-14-9-5-6-10-15%2814%2917%2819-22-3%2918%2820%2921-2%2Fh4-11H%2C12H2%2C1-3H3,24.0,0.291666666666667,19.3263888888889,110.0,87.515,10.0957336108221,12.0,5.5,294.200992584229,11.0,0.0,57.12,24.0,0.0,10.0,23.0,5.0,7.0,3.0975,5.0 +InChI%3D1S%2FC10H17N2O4PS%2Fc1-5-8-11-9%2815-6-2%297-10%2812-8%2916-17%2818%2C13-3%2914-4%2Fh7H%2C5-6H2%2C1-4H3,18.0,0.388888888888889,16.0555555555556,84.0,71.736,7.55555555555556,6.0,4.89795918367347,275.160997390747,9.0,0.0,104.6,18.0,0.0,8.0,18.0,7.0,7.0,2.9844,7.0 +InChI%3D1S%2FC9H20N2O2%2Fc1-4-8-13-9%2812%2910-6-5-7-11%282%293%2Fh4-8H2%2C1-3H3%2C%28H%2C10%2C12%29,12.0,0.583333333333333,13.0,50.0,55.6025,8.59171597633136,0.0,9.91735537190083,168.110996246338,10.0,0.0,46.26,12.0,2.0,9.0,13.0,3.0,7.0,-0.1384,3.0 +InChI%3D1S%2FC10H14N2O5%2Fc13-4-3-11-9-2-1-8%2812%2815%2916%297-10%289%2917-6-5-14%2Fh1-2%2C7%2C11%2C13-14H%2C3-6H2,17.0,0.411764705882353,15.0588235294118,76.0,63.4203,8.16326530612245,6.0,5.0176,228.11899471283,9.0,0.0,107.54,17.0,3.0,8.0,17.0,6.0,7.0,0.8933,4.0 +InChI%3D1S%2FC7H5NS2%2Fc9-7-8-5-3-1-2-4-6%285%2910-7%2Fh1-4H%2C%28H%2C8%2C9%29,11.0,0.0,6.69421487603306,52.0,46.872,2.56,10.0,1.2409972299169,162.218000411987,5.0,0.0,79.93,11.0,1.0,4.0,10.0,2.0,0.0,2.585,3.0 +InChI%3D1S%2FC9H6Cl6O3S%2Fc10-5-6%2811%298%2813%294-2-18-19%2816%2917-1-3%284%297%285%2C12%299%288%2C14%2915%2Fh3-4H%2C1-2H2,21.0,0.0,13.9591836734694,116.0,77.4985,3.79985390796202,0.0,1.28,400.88099193573,7.0,6.0,54.74,21.0,0.0,6.0,19.0,3.0,0.0,4.5555,3.0 +InChI%3D1S%2FC17H18N4O6S%2Fc1-10-7-11%282%2919-16%2818-10%2920-17%2823%2921-28%2824%2C25%2914-6-4-3-5-13%2814%2915%2822%2927-12-8-26-9-12%2Fh3-7%2C12H%2C8-9H2%2C1-2H3%2C%28H2%2C18%2C19%2C20%2C21%2C23%29,30.0,0.233333333333333,22.68,146.0,98.06,9.87128177393186,12.0,6.25,388.275993347168,14.0,0.0,148.45,30.0,2.0,13.0,28.0,10.0,7.0,2.2538,10.0 +InChI%3D1S%2FC14H20N3O5PS%2Fc1-5-19-14%2818%2911-9-17-12%2815-10%2811%294%298-13%2816-17%2922-23%2824%2C20-6-2%2921-7-3%2Fh8-9H%2C5-7H2%2C1-4H3,25.0,0.36,20.3136,120.0,92.0715,9.08734693877551,10.0,5.25,353.210995674133,13.0,0.0,126.08,25.0,0.0,12.0,24.0,8.0,9.0,3.5413,9.0 +InChI%3D1S%2FC7H14N2O2S%2Fc1-7%282%2C12-4%295-9-11-6%2810%298-3%2Fh5H%2C1-4H3%2C%28H%2C8%2C10%29,11.0,0.363636363636364,12.0,50.0,53.1588,5.61224489795918,0.0,6.25,176.15599822998,8.0,0.0,79.48,11.0,1.0,7.0,12.0,5.0,4.0,1.6742,5.0 +InChI%3D1S%2FC10H16N4O2S%2Fc1-10%282%2C3%297-11-12-8%2817-7%2914-6%2815%295-13%284%299%2814%2916%2Fh6%2C15H%2C5H2%2C1-4H3,18.0,0.111111111111111,13.4320987654321,92.0,59.7012,4.59183673469388,5.0,2.56,240.202997207642,8.0,0.0,97.8,18.0,1.0,7.0,17.0,6.0,2.0,1.0287,7.0 +InChI%3D1S%2FBrHO3%2Fc2-1%283%294%2Fh%28H%2C2%2C3%2C4%29%2Fp-1,3.0,0.0,4.0,12.0,10.9865,1.33333333333333,0.0,0.0,127.90099811554,2.0,1.0,57.2,3.0,1.0,1.0,4.0,2.0,0.0,0.4892,3.0 +InChI%3D1S%2FC14H21N3O4%2Fc1-6-9%282%2915-13-11%2816%2818%2919%297-10%2814%283%2C4%295%298-12%2813%2917%2820%2921%2Fh7-9%2C15H%2C6H2%2C1-5H3,21.0,0.285714285714286,19.047619047619,104.0,86.1617,7.51300728407908,6.0,5.0,274.170993804932,9.0,0.0,103.67,21.0,1.0,8.0,21.0,5.0,6.0,5.0573,1.0 +InChI%3D1S%2FC6H11N2O4PS3%2Fc1-10-5-7-8%286%289%2916-5%294-15-13%2814%2C11-2%2912-3%2Fh4H2%2C1-3H3,16.0,0.375,14.0625,76.0,69.046,6.07438016528926,5.0,3.76923076923077,291.251001358032,9.0,0.0,158.02,16.0,0.0,8.0,16.0,7.0,6.0,2.172,9.0 +InChI%3D1S%2FC8H11NO2%2Fc1-10-6-3-4-7%289%298%285-6%2911-2%2Fh3-5H%2C9H2%2C1-2H3,11.0,0.181818181818182,9.09090909090909,50.0,43.9584,4.13265306122449,6.0,2.21453287197232,142.09299659729,6.0,0.0,44.48,11.0,0.0,5.0,11.0,3.0,2.0,1.286,3.0 +InChI%3D1S%2FC3H8O3%2Fc4-1-3%286%292-5%2Fh3-6H%2C1-2H2,5.0,0.4,6.0,20.0,20.1784,3.2,0.0,3.0,84.0299978256226,4.0,0.0,60.69,5.0,3.0,3.0,6.0,3.0,2.0,-1.6681,3.0 +InChI%3D1S%2FC12H9Cl%2Fc13-12-8-4-7-11%289-12%2910-5-2-1-3-6-10%2Fh1-9H,14.0,0.0714285714285714,9.55102040816327,64.0,56.888,4.48148148148148,12.0,2.47933884297521,179.584995269775,7.0,1.0,0.0,14.0,0.0,6.0,13.0,0.0,1.0,4.007,0.0 +InChI%3D1S%2FC5H10N2S2%2Fc1-6-3-7%282%295%288%299-4-6%2Fh3-4H2%2C1-2H3,9.0,0.0,7.11111111111111,42.0,41.9721,2.72222222222222,0.0,1.70414201183432,152.203001022339,5.0,0.0,65.07,9.0,1.0,4.0,9.0,3.0,0.0,0.8867,3.0 +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%2C1-2H3,35.0,0.285714285714286,27.585306122449,164.0,118.057,13.921231326392,18.0,8.56123662306778,428.28498840332,18.0,2.0,68.55,35.0,0.0,17.0,33.0,5.0,10.0,6.62798000000001,5.0 +InChI%3D1S%2FC19H21ClN2O%2Fc20-16-12-10-15%2811-13-16%2914-22%2818-8-4-5-9-18%2919%2823%2921-17-6-2-1-3-7-17%2Fh1-3%2C6-7%2C10-13%2C18H%2C4-5%2C8-9%2C14H2%2C%28H%2C21%2C23%29,25.0,0.2,17.8112,116.0,95.4168,8.90909090909091,12.0,5.23497917906008,307.67499256134,12.0,1.0,35.83,25.0,1.0,11.0,23.0,3.0,5.0,5.3303,3.0 +InChI%3D1S%2FC23H22ClF3O2%2Fc1-14-16%2810-7-11-17%2814%2915-8-5-4-6-9-15%2913-29-21%2828%2920-18%2822%2820%2C2%293%2912-19%2824%2923%2825%2C26%2927%2Fh4-12%2C18%2C20H%2C13H2%2C1-3H3,31.0,0.225806451612903,23.6586888657648,156.0,107.163,9.24038026256225,12.0,5.08680462241333,400.697988510132,15.0,4.0,26.3,31.0,0.0,14.0,29.0,2.0,7.0,6.66240000000001,2.0 +InChI%3D1S%2FC10H5Cl2NO2%2Fc11-6-3-5-1-2-7%2812%298%2810%2814%2915%299%285%2913-4-6%2Fh1-4H%2C%28H%2C14%2C15%29,16.0,0.0625,11.484375,78.0,56.78,4.47258979206049,11.0,2.24,237.020994186401,7.0,2.0,53.02,16.0,1.0,6.0,15.0,2.0,1.0,1.9051,3.0 +InChI%3D1S%2FC8H8Cl3O3PS%2Fc1-12-15%2816%2C13-2%2914-8-4-6%2810%295%289%293-7%288%2911%2Fh3-4H%2C1-2H3,16.0,0.25,14.0625,78.0,70.629,5.55765595463138,6.0,3.49519890260631,313.48499584198,8.0,3.0,69.59,16.0,0.0,7.0,16.0,4.0,4.0,5.1935,4.0 +InChI%3D1S%2FC10H13Cl2FN2O2S2%2Fc1-8-4-6-9%287-5-8%2915%2818-10%2811%2C12%2913%2919%2816%2C17%2914%282%293%2Fh4-7H%2C1-3H3,19.0,0.263157894736842,17.0526315789474,96.0,79.445,6.18549346016647,6.0,4.79500520291363,334.159996032715,8.0,3.0,74.3,19.0,0.0,7.0,19.0,5.0,5.0,4.3952,5.0 +InChI%3D1S%2FC12H10%2Fc1-3-7-11%288-4-1%2912-9-5-2-6-10-12%2Fh1-10H,13.0,0.0769230769230769,8.59171597633136,58.0,51.878,4.296875,12.0,2.25,144.131996154785,7.0,0.0,0.0,13.0,0.0,6.0,12.0,0.0,1.0,3.3536,0.0 +InChI%3D1S%2FC12H6Cl4O2S%2Fc13-7-1-3-8%284-2-7%2919%2817%2C18%2912-6-10%2815%299%2814%295-11%2812%2916%2Fh1-6H,20.0,0.1,15.39,100.0,78.42,5.78,12.0,3.19113573407202,350.008993148804,10.0,4.0,42.52,20.0,0.0,9.0,19.0,2.0,2.0,6.2138,2.0 +InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29,6.0,0.0,4.16666666666667,26.0,18.7931,1.63265306122449,5.0,0.979591836734694,80.0499992370605,3.0,0.0,68.32,6.0,3.0,2.0,6.0,2.0,0.0,-0.7827,2.0 +InChI%3D1S%2FC20H23NO3%2Fc1-14-9-8-10-15%282%2919%2814%2921%2816%283%2920%2823%2924-4%2918%2822%2913-17-11-6-5-7-12-17%2Fh5-12%2C16H%2C13H2%2C1-4H3,25.0,0.28,20.3136,118.0,95.026,9.62975778546713,12.0,5.25,302.223992347717,10.0,0.0,46.61,25.0,0.0,9.0,24.0,4.0,7.0,3.4406,4.0 +InChI%3D1S%2FC16H23N3OS%2Fc1-12%282%2919-14%2817-16%283%2C4%295%2921-11-18%2815%2819%2920%2913-9-7-6-8-10-13%2Fh6-10%2C12H%2C11H2%2C1-5H3,22.0,0.136363636363636,17.3553719008264,108.0,85.5184,7.05078125,6.0,4.48753462603878,282.26299571991,10.0,0.0,61.21,22.0,0.0,9.0,21.0,5.0,3.0,4.1851,5.0 +InChI%3D1S%2FC10H19ClNO5P%2Fc1-6-12%287-2%2910%2813%299%2811%298%283%2917-18%2814%2C15-4%2916-5%2Fh6-7H2%2C1-5H3,17.0,0.470588235294118,18.0,80.0,69.1905,8.22684310018904,0.0,5.26748971193416,280.538994789124,9.0,1.0,74.88,17.0,0.0,8.0,18.0,6.0,8.0,2.7426,6.0 +InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,13.0,0.153846153846154,11.0769230769231,62.0,48.823,4.48148148148148,6.0,2.72108843537415,176.086996078491,6.0,0.0,91.64,13.0,0.0,5.0,13.0,4.0,2.0,2.8578,0.0 +InChI%3D1S%2FC12H9Cl2NO3%2Fc1-3-12%282%2910%2816%2915%2811%2817%2918-12%299-5-7%2813%294-8%2814%296-9%2Fh3-6H%2C1H2%2C2H3,19.0,0.105263157894737,14.409972299169,96.0,65.8312,5.17479191438763,6.0,2.65927977839335,277.041993141174,8.0,2.0,46.61,19.0,0.0,7.0,18.0,4.0,2.0,3.4863,4.0 +InChI%3D1S%2FC10H10O4%2Fc1-13-9%2811%297-5-3-4-6-8%287%2910%2812%2914-2%2Fh3-6H%2C1-2H3,14.0,0.285714285714286,12.0714285714286,64.0,49.121,5.77777777777778,6.0,2.99432892249527,184.105995178223,7.0,0.0,52.6,14.0,0.0,6.0,14.0,4.0,4.0,1.2598,4.0 +InChI%3D1S%2FC19H25NO4%2Fc1-11%282%299-14-15%2819%2814%2C3%294%2918%2823%2924-10-20-16%2821%2912-7-5-6-8-13%2812%2917%2820%2922%2Fh9%2C14-15H%2C5-8%2C10H2%2C1-4H3,26.0,0.192307692307692,18.7810650887574,132.0,86.2782,6.9575,0.0,3.24107142857143,306.211992263794,12.0,0.0,63.68,26.0,0.0,11.0,24.0,5.0,5.0,2.9028,5.0 +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%2C1-2H3,20.0,0.5,18.05,88.0,76.823,10.6875,6.0,6.54934601664685,256.171993255615,13.0,0.0,52.6,20.0,0.0,12.0,20.0,4.0,10.0,3.6004,4.0 +InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3,9.0,0.111111111111111,7.11111111111111,40.0,40.531,3.2396694214876,6.0,2.0,108.098997116089,5.0,0.0,0.0,9.0,0.0,4.0,9.0,0.0,1.0,2.81,0.0 +InChI%3D1S%2FC14H17ClNO4PS2%2Fc1-3-19-21%2822%2C20-4-2%2923-12%289-15%2916-13%2817%2910-7-5-6-8-11%2810%2914%2816%2918%2Fh5-8%2C12H%2C3-4%2C9H2%2C1-2H3,24.0,0.333333333333333,19.3263888888889,116.0,94.5842,8.39273356401384,6.0,4.15879017013232,376.71799659729,10.0,1.0,123.04,24.0,0.0,9.0,23.0,7.0,8.0,4.4667,7.0 +InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,12.0,0.0,10.0833333333333,60.0,53.1568,3.39506172839506,6.0,1.5625,265.329993247986,5.0,5.0,20.23,12.0,1.0,4.0,12.0,1.0,0.0,4.6592,1.0 +InChI%3D1S%2FC19H23ClN2O2S%2Fc1-2-3-4-5-6-10-13-25-19%2823%2924-16-14-17%2820%2921-22-18%2816%2915-11-8-7-9-12-15%2Fh7-9%2C11-12%2C14H%2C2-6%2C10%2C13H2%2C1H3,26.0,0.423076923076923,21.301775147929,116.0,104.336,12.3984375,12.0,8.04432132963989,355.740993499756,16.0,1.0,77.38,26.0,0.0,15.0,25.0,5.0,11.0,6.3895,5.0 +InChI%3D1S%2FC17H21NO2%2Fc1-4-18%285-2%2917%2819%2913%283%2920-16-12-8-10-14-9-6-7-11-15%2814%2916%2Fh6-13H%2C4-5H2%2C1-3H3,21.0,0.285714285714286,16.3718820861678,98.0,81.966,7.85204081632653,11.0,4.02337472607743,250.191993713379,10.0,0.0,29.54,21.0,0.0,9.0,20.0,3.0,6.0,3.4755,3.0 +InChI%3D1S%2FC21H22ClNO4%2Fc1-25-19-8-5-16%2813-20%2819%2926-2%2918%2815-3-6-17%2822%297-4-15%2914-21%2824%2923-9-11-27-12-10-23%2Fh3-8%2C13-14H%2C9-12H2%2C1-2H3,29.0,0.206896551724138,21.7027348394768,136.0,103.2562,10.6837606837607,12.0,5.75778546712803,365.686990737915,12.0,1.0,48.0,29.0,0.0,11.0,27.0,5.0,6.0,3.5856,5.0 +InChI%3D1S%2FC15H22ClNO2%2Fc1-5-13-8-6-7-11%282%2915%2813%2917%2814%2818%299-16%2912%283%2910-19-4%2Fh6-8%2C12H%2C5%2C9-10H2%2C1-4H3,19.0,0.368421052631579,17.0526315789474,88.0,80.101,8.3232,6.0,4.23140495867769,261.622993469238,8.0,1.0,29.54,19.0,0.0,7.0,19.0,3.0,7.0,3.1641,3.0 +InChI%3D1S%2FC4H7Br2Cl2O4P%2Fc1-10-13%289%2C11-2%2912-3%285%294%286%2C7%298%2Fh3H%2C1-2H3,12.0,0.416666666666667,13.0,60.0,58.7885,4.48148148148148,0.0,4.1522491349481,373.727994918823,6.0,4.0,54.57,12.0,0.0,5.0,13.0,4.0,5.0,3.6512,4.0 +InChI%3D1S%2FC22H18Cl2FNO3%2Fc1-22%282%2915%2811-19%2823%2924%2920%2822%2921%2827%2929-18%2812-26%2913-8-9-16%2825%2917%2810-13%2928-14-6-4-3-5-7-14%2Fh3-11%2C15%2C18%2C20H%2C1-2H3,31.0,0.225806451612903,23.6586888657648,152.0,107.912,10.08,12.0,5.43751795461074,416.149989128113,15.0,3.0,59.32,31.0,0.0,14.0,29.0,4.0,7.0,6.31708,4.0 +InChI%3D1S%2FC13H13Cl2N3O3%2Fc1-7%282%2916-12%2820%2917-6-11%2819%2918%2813%2817%2921%2910-4-8%2814%293-9%2815%295-10%2Fh3-5%2C7H%2C6H2%2C1-2H3%2C%28H%2C16%2C20%29,22.0,0.136363636363636,17.3553719008264,108.0,75.8302,7.05078125,6.0,4.05,317.066992759705,10.0,2.0,73.21,22.0,1.0,9.0,21.0,6.0,3.0,3.0873,6.0 +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%2C1-5H3,19.0,0.368421052631579,17.0526315789474,90.0,79.249,7.69526627218935,6.0,5.47919143876338,283.183997154236,9.0,0.0,95.37,19.0,0.0,8.0,19.0,6.0,7.0,4.2353,6.0 +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-1,11.0,0.181818181818182,9.09090909090909,52.0,39.7501,3.6,0.0,3.78698224852071,166.136998176575,6.0,0.0,77.61,11.0,2.0,5.0,11.0,3.0,2.0,1.4497,4.0 +InChI%3D1S%2FC10H15OPS2%2Fc1-3-11-12%2813%2C4-2%2914-10-8-6-5-7-9-10%2Fh5-9H%2C3-4H2%2C1-2H3,14.0,0.357142857142857,12.0714285714286,64.0,68.977,5.77777777777778,6.0,3.96,231.217000007629,8.0,0.0,76.43,14.0,0.0,7.0,14.0,3.0,5.0,4.7952,3.0 +InChI%3D1S%2FC12H13NO2S%2Fc1-9-11%2816-8-7-15-9%2912%2814%2913-10-5-3-2-4-6-10%2Fh2-6H%2C7-8H2%2C1H3%2C%28H%2C13%2C14%29,17.0,0.117647058823529,12.4567474048443,78.0,67.2758,6.07438016528926,6.0,3.49519890260631,222.203996658325,9.0,0.0,67.12,17.0,1.0,8.0,16.0,4.0,2.0,3.2695,4.0 +InChI%3D1S%2FC19H22FN3O3%2Fc1-2-21-5-7-22%288-6-21%2917-10-16-13%289-15%2817%2920%2918%2824%2914%2819%2825%2926%2911-23%2816%2912-3-4-12%2Fh9-12H%2C2-8H2%2C1H3%2C%28H%2C25%2C26%29,29.0,0.137931034482759,19.3222354340071,144.0,91.3241,7.78799351000541,11.0,3.56033324375168,337.224991798401,13.0,1.0,69.81,29.0,2.0,12.0,26.0,3.0,4.0,1.198,5.0 +InChI%3D1S%2FC12H12N2%2Fc1-3-7-13-9-10-14-8-4-2-6-12%2814%2911%2813%295-1%2Fh1-8H%2C9-10H2,16.0,0.0,9.2421875,76.0,52.5584,3.86776859504132,0.0,1.64828303850156,172.14599609375,7.0,0.0,6.48,16.0,0.0,6.0,14.0,2.0,0.0,1.8584,2.0 +InChI%3D1S%2FC17H16Br2O3%2Fc1-11%282%2922-16%2820%2917%2821%2C12-3-7-14%2818%298-4-12%2913-5-9-15%2819%2910-6-13%2Fh3-11%2C21H%2C1-2H3,23.0,0.217391304347826,18.3402646502836,112.0,92.5108,7.71349862258953,12.0,4.30839002267574,411.991991996765,10.0,2.0,46.53,23.0,1.0,9.0,22.0,3.0,5.0,4.3991,3.0 +InChI%3D1S%2FC7H13O6P%2Fc1-6%285-7%288%2910-2%2913-14%289%2C11-3%2912-4%2Fh5H%2C1-4H3,13.0,0.461538461538462,14.0,60.0,48.4825,6.47750865051903,0.0,5.48096885813149,211.044996261597,8.0,0.0,80.87,13.0,0.0,7.0,14.0,6.0,6.0,1.4807,6.0 +InChI%3D1S%2FC15H31N3O2%2Fc1-14%2819%2920-13-11-9-7-5-3-2-4-6-8-10-12-18-15%2816%2917%2Fh2-13H2%2C1H3%2C%28H4%2C16%2C17%2C18%29,19.0,0.789473684210526,20.0,78.0,82.7198,15.39,0.0,19.0588235294118,254.183994293213,17.0,0.0,88.2,19.0,2.0,16.0,20.0,5.0,15.0,2.9336,5.0 +InChI%3D1S%2FC19H24O3%2Fc1-7-8-13-12%284%2916%2810-15%2813%2920%2922-18%2821%2917-14%289-11%282%293%2919%2817%2C5%296%2Fh1%2C9%2C14%2C16-17H%2C8%2C10H2%2C2-6H3,23.0,0.217391304347826,18.3402646502836,116.0,85.846,6.85714285714286,0.0,3.44047080126754,276.205992698669,12.0,0.0,43.37,23.0,0.0,11.0,22.0,3.0,5.0,3.4492,3.0 +InChI%3D1S%2FC19H20F3NO4%2Fc1-3-4-11-25-18%2824%2913%282%2926-15-6-8-16%289-7-15%2927-17-10-5-14%2812-23-17%2919%2820%2C21%2922%2Fh5-10%2C12-13H%2C3-4%2C11H2%2C1-2H3,28.0,0.357142857142857,23.280612244898,132.0,91.712,11.2534626038781,12.0,8.09951325040563,363.205989837646,18.0,3.0,57.65,28.0,0.0,17.0,27.0,5.0,10.0,5.0033,5.0 +InChI%3D1S%2FC15H15ClN4O6S%2Fc1-3-26-13%2821%299-6-4-5-7-10%289%2927%2823%2C24%2920-15%2822%2919-14-17-11%2816%298-12%2818-14%2925-2%2Fh4-8H%2C3H2%2C1-2H3%2C%28H2%2C17%2C18%2C19%2C20%2C22%29,28.0,0.285714285714286,23.280612244898,134.0,96.082,10.6837606837607,12.0,6.77953825260299,399.706993103027,14.0,1.0,148.45,28.0,2.0,13.0,27.0,10.0,8.0,2.9201,10.0 +InChI%3D1S%2FC14H15N5O6S%2Fc1-8-15-12%2818-14%2816-8%2925-3%2917-13%2821%2919-26%2822%2C23%2910-7-5-4-6-9%2810%2911%2820%2924-2%2Fh4-7H%2C1-3H3%2C%28H2%2C15%2C16%2C17%2C18%2C19%2C21%29,27.0,0.222222222222222,22.2908093278464,130.0,88.31,9.97229916897507,12.0,6.26086956521739,366.249994277954,13.0,0.0,164.57,27.0,2.0,12.0,26.0,10.0,6.0,1.1927,10.0 +InChI%3D1S%2FC12H14N2%2Fc13-8-9-14-12-7-3-5-10-4-1-2-6-11%2810%2912%2Fh1-7%2C14H%2C8-9%2C13H2,15.0,0.2,10.5155555555556,68.0,62.3268,5.18559556786704,11.0,2.5344,172.14599609375,8.0,0.0,39.67,15.0,1.0,7.0,14.0,1.0,3.0,1.4936,1.0 +InChI%3D1S%2FC19H14F3NO%2Fc1-23-11-16%2813-6-3-2-4-7-13%2918%2824%2917%2812-23%2914-8-5-9-15%2810-14%2919%2820%2C21%2922%2Fh2-12H%2C1H3,26.0,0.115384615384615,18.7810650887574,128.0,87.557,7.70914127423823,18.0,4.41145833333333,315.20899105072,11.0,3.0,22.0,26.0,0.0,10.0,24.0,1.0,3.0,4.7381,2.0 +InChI%3D1S%2FC15H11ClF3NO4%2Fc1-2-23-14-8-10%284-5-12%2814%2920%2821%2922%2924-13-6-3-9%287-11%2813%2916%2915%2817%2C18%2919%2Fh3-8H%2C2H2%2C1H3,25.0,0.24,20.3136,122.0,82.961,8.5895061728395,12.0,5.49702541914548,350.614990234375,12.0,4.0,64.28,25.0,0.0,11.0,24.0,4.0,6.0,5.9812,2.0 +InChI%3D1S%2FC7H4Cl3NO3%2Fc8-3-1-4%289%297%2811-6%283%2910%2914-2-5%2812%2913%2Fh1H%2C2H2%2C%28H%2C12%2C13%29,14.0,0.214285714285714,12.0714285714286,66.0,50.4555,5.18559556786704,6.0,3.59183673469388,252.439993858337,8.0,3.0,62.25,14.0,1.0,7.0,14.0,3.0,3.0,1.1705,4.0 +InChI%3D1S%2FC6H8O6%2Fc7-1-2%288%295-3%289%294%2810%296%2811%2912-5%2Fh2%2C5%2C7-10H%2C1H2,12.0,0.166666666666667,10.0833333333333,58.0,35.2562,3.80622837370242,0.0,1.8595041322314,168.059995651245,6.0,0.0,107.22,12.0,4.0,5.0,12.0,6.0,2.0,-1.4074,6.0 +InChI%3D1S%2FC7H7NO2%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H%2C9%2C10%29,10.0,0.1,8.1,46.0,35.8714,3.40828402366864,6.0,1.99111111111111,130.081996917725,5.0,0.0,66.15,10.0,1.0,4.0,10.0,2.0,1.0,-0.3677,3.0 +InChI%3D1S%2FC14H16F3N3O4%2Fc1-2-5-18%288-9-3-4-9%2913-11%2819%2821%2922%296-10%2814%2815%2C16%2917%297-12%2813%2920%2823%2924%2Fh6-7%2C9H%2C2-5%2C8H2%2C1H3,25.0,0.32,20.3136,124.0,84.316,8.13148283418554,6.0,4.80340264650284,331.164991378784,9.0,3.0,94.88,25.0,0.0,8.0,24.0,5.0,8.0,5.1946,1.0 +InChI%3D1S%2FC7H5Cl2FN2O3%2Fc8-3-5%2811%294%289%297%2812-6%283%2910%2915-1-2%2813%2914%2Fh1H2%2C%28H2%2C11%2C12%29%28H%2C13%2C14%29,15.0,0.2,13.0666666666667,72.0,49.8159,5.36507936507936,6.0,3.2256,249.991993904114,8.0,3.0,88.27,15.0,1.0,7.0,15.0,4.0,3.0,0.2384,5.0 +InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,8.0,0.0,6.125,36.0,35.8644,2.52,6.0,1.8,121.525997161865,5.0,1.0,26.02,8.0,0.0,4.0,8.0,1.0,0.0,1.9222,1.0 +InChI%3D1S%2FC2I4%2Fc3-1%284%292%285%296,5.0,0.0,6.0,22.0,63.106,2.22222222222222,0.0,3.0,531.637996673584,3.0,4.0,0.0,5.0,0.0,2.0,6.0,0.0,0.0,3.853,0.0 +InChI%3D1S%2FC12H14O3%2Fc1-3-14-11%2813%2910-12%282%2C15-10%299-7-5-4-6-8-9%2Fh4-8%2C10H%2C3H2%2C1-2H3,16.0,0.25,11.484375,78.0,55.3,4.47258979206049,6.0,1.96875,192.128994941711,9.0,0.0,38.83,16.0,0.0,8.0,15.0,3.0,4.0,1.8637,3.0 +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%2C25-26%2C30-32H%2C7%2C23H2%2C1-3H3,35.0,0.0285714285714286,25.1036734693878,186.0,111.3691,8.29369797859691,6.0,3.37035123966942,420.247989654541,11.0,0.0,182.82,35.0,6.0,10.0,32.0,9.0,1.0,-1.7881,9.0 +InChI%3D1S%2FC2H7O3P%2Fc1-2-5-6%283%294%2Fh6H%2C2H2%2C1H3%2C%28H%2C3%2C4%29,5.0,0.4,6.0,20.0,21.4513,3.2,0.0,5.33333333333333,102.992999076843,4.0,0.0,80.67,5.0,1.0,3.0,6.0,4.0,2.0,0.6726,3.0 +InChI%3D1S%2FC9H19NOS%2Fc1-4-7-10%288-5-2%299%2811%2912-6-3%2Fh4-8H2%2C1-3H3,11.0,0.636363636363636,12.0,46.0,55.683,7.63888888888889,0.0,5.32544378698225,170.171998023987,7.0,0.0,45.61,11.0,0.0,6.0,12.0,3.0,7.0,2.9815,3.0 +InChI%3D1S%2FC13H16F3N3O4%2Fc1-7%282%2917%288%283%294%2912-10%2818%2820%2921%295-9%2813%2814%2C15%2916%296-11%2812%2919%2822%2923%2Fh5-8H%2C1-4H3,23.0,0.260869565217391,21.0434782608696,116.0,81.839,7.92,6.0,4.98866213151927,319.153991699219,8.0,3.0,94.88,23.0,0.0,7.0,23.0,5.0,6.0,5.1914,1.0 +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,20.0,0.15,15.39,98.0,85.037,6.18549346016647,12.0,3.98615916955017,345.418991088867,10.0,5.0,0.0,20.0,0.0,9.0,19.0,0.0,3.0,6.4955,0.0 +InChI%3D1S%2FC10H12N2O3S%2Fc1-7%282%2912-10%2813%298-5-3-4-6-9%288%2911-16%2812%2C14%2915%2Fh3-7%2C11H%2C1-2H3,17.0,0.0588235294117647,12.4567474048443,86.0,54.7336,4.3491124260355,6.0,2.20415224913495,228.187996864319,7.0,0.0,74.86,17.0,1.0,6.0,16.0,5.0,1.0,2.3642,5.0 +InChI%3D1S%2FC23H26O3%2Fc1-16%282%2913-20-21%2823%2820%2C3%294%2922%2824%2925-15-17-9-8-12-19%2814-17%2926-18-10-6-5-7-11-18%2Fh5-14%2C20-21H%2C15H2%2C1-4H3,28.0,0.25,20.7270408163265,136.0,102.946,9.0,12.0,5.09342560553633,324.249991416931,15.0,0.0,35.53,28.0,0.0,14.0,26.0,3.0,7.0,5.76050000000001,3.0 +InChI%3D1S%2FC9H9N3O2%2Fc1-14-9%2813%2912-8-10-6-4-2-3-5-7%286%2911-8%2Fh2-5H%2C1H3%2C%28H2%2C10%2C11%2C12%2C13%29,15.0,0.133333333333333,10.5155555555556,70.0,52.8265,4.68,10.0,2.5344,182.11799621582,8.0,0.0,70.5,15.0,2.0,7.0,14.0,4.0,2.0,1.7548,4.0 +InChI%3D1S%2FC12H12ClN5O4S%2Fc1-7-14-10%2817-12%2815-7%2922-2%2916-11%2819%2918-23%2820%2C21%299-6-4-3-5-8%289%2913%2Fh3-6H%2C1-2H3%2C%28H2%2C14%2C15%2C16%2C17%2C18%2C19%29,24.0,0.166666666666667,19.3263888888889,116.0,81.9805,8.39273356401384,12.0,5.5,345.682994842529,12.0,1.0,138.27,24.0,2.0,11.0,23.0,8.0,4.0,2.0595,8.0 +InChI%3D1S%2FC10H12O3%2Fc1-2-7-13-10%2812%298-3-5-9%2811%296-4-8%2Fh3-6%2C11H%2C2%2C7H2%2C1H3,13.0,0.307692307692308,11.0769230769231,58.0,48.6803,5.671875,6.0,3.7037037037037,168.106995582581,9.0,0.0,46.53,13.0,1.0,8.0,13.0,3.0,4.0,1.959,3.0 +InChI%3D1S%2FCCl3F%2Fc2-1%283%2C4%295,4.0,0.0,5.0,20.0,21.398,1.0,0.0,0.0,137.36799621582,2.0,4.0,0.0,4.0,0.0,1.0,5.0,0.0,0.0,2.2836,0.0 +InChI%3D1S%2FC10H11F3N2O%2Fc1-15%282%299%2816%2914-8-5-3-4-7%286-8%2910%2811%2C12%2913%2Fh3-6H%2C1-2H3%2C%28H%2C14%2C16%29,16.0,0.1875,14.0625,78.0,54.8548,5.55765595463138,6.0,4.42361111111111,221.116993904114,8.0,3.0,35.83,16.0,1.0,7.0,16.0,3.0,3.0,2.8125,3.0 +InChI%3D1S%2FC48H72O14%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%2C17-19%2C25-26%2C28%2C30-31%2C33-45%2C49-50%2C52H%2C11%2C16%2C20-24H2%2C1-10H3%2Ft25-%2C26-%2C28-%2C30-%2C31-%2C33%2B%2C34-%2C35-%2C36-%2C37-%2C38-%2C39-%2C40%2B%2C41-%2C42-%2C43%2B%2C44-%2C45%3F%2C47%2B%2C48%3F%2Fm0%2Fs1,68.0,0.117647058823529,49.8923010380623,340.0,227.3054,21.1072664359862,0.0,10.6835672249887,800.51397895813,22.0,0.0,170.06,68.0,3.0,21.0,62.0,14.0,8.0,5.3774,14.0 +InChI%3D1S%2FC8H19O2PS2%2Fc1-4-7-12-11%289%2C10-6-3%2913-8-5-2%2Fh4-8H2%2C1-3H3,12.0,0.666666666666667,13.0,52.0,64.7305,7.40816326530612,0.0,6.12244897959184,223.194000244141,8.0,0.0,86.71,12.0,0.0,7.0,13.0,4.0,8.0,4.4174,4.0 +InChI%3D1S%2FC12H6F2N2O2%2Fc13-12%2814%2917-10-3-1-2-8%2811%2810%2918-12%299-6-16-5-7%289%294-15%2Fh1-3%2C5-6%2C16H,20.0,0.05,13.005,100.0,57.1467,4.83555555555556,11.0,2.4,242.139993667603,8.0,2.0,58.04,20.0,1.0,7.0,18.0,3.0,1.0,2.87488,3.0 +InChI%3D1S%2FC4H10NO3PS%2Fc1-4%286%295-9%287%2C8-2%2910-3%2Fh1-3H3%2C%28H%2C5%2C6%2C7%29,9.0,0.333333333333333,10.0,42.0,43.8683,4.0,0.0,3.70247933884298,173.08899974823,5.0,0.0,94.0,9.0,1.0,4.0,10.0,5.0,3.0,2.0803,5.0 +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%29,25.0,0.2,20.3136,124.0,76.809,8.13148283418554,12.0,5.25,354.602990150452,12.0,4.0,95.18,25.0,1.0,11.0,24.0,4.0,5.0,3.946,3.0 +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%29,16.0,0.125,11.484375,74.0,60.5638,5.36507936507936,11.0,2.76543209876543,190.136995315552,8.0,0.0,41.82,16.0,1.0,7.0,15.0,3.0,2.0,2.7624,3.0 +InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H,7.0,0.0,5.14285714285714,30.0,31.452,2.34375,6.0,1.5,107.518997192383,4.0,1.0,0.0,7.0,0.0,3.0,7.0,0.0,0.0,2.34,0.0 +InChI%3D1S%2FC24H40O3%2Fc1-15%284-9-22%2826%2927%2919-7-8-20-18-6-5-16-14-17%2825%2910-12-23%2816%2C2%2921%2818%2911-13-24%2819%2C20%293%2Fh15-21%2C25H%2C4-14H2%2C1-3H3%2C%28H%2C26%2C27%29,30.0,0.133333333333333,20.28,154.0,105.3153,7.35626980534178,0.0,3.33615504566719,336.260991096497,14.0,0.0,60.36,30.0,2.0,13.0,27.0,2.0,4.0,4.1724,3.0 +InChI%3D1S%2FC19H18ClN3O4%2Fc1-25-19%2824%2923%2826-2%2917-6-4-3-5-14%2817%2913-27-18-11-12-22%2821-18%2916-9-7-15%2820%298-10-16%2Fh3-12H%2C13H2%2C1-2H3,29.0,0.275862068965517,21.7027348394768,136.0,101.241,10.6837606837607,17.0,5.75778546712803,369.678991317749,15.0,1.0,65.82,29.0,0.0,14.0,27.0,6.0,8.0,4.2389,7.0 +InChI%3D1S%2FC4H8Cl3O4P%2Fc1-10-12%289%2C11-2%293%288%294%285%2C6%297%2Fh3%2C8H%2C1-2H3,11.0,0.363636363636364,12.0,56.0,47.9213,3.80622837370242,0.0,2.77777777777778,249.372995376587,5.0,3.0,65.57,11.0,1.0,4.0,12.0,4.0,4.0,2.1609,4.0 +InChI%3D1S%2FC14H18N4O3%2Fc1-3-4-9-15-13%2819%2918-11-8-6-5-7-10%2811%2916-12%2818%2917-14%2820%2921-2%2Fh5-8H%2C3-4%2C9H2%2C1-2H3%2C%28H%2C15%2C19%29%28H%2C16%2C17%2C20%29,22.0,0.272727272727273,17.3553719008264,102.0,81.7026,8.58501783590963,10.0,4.48753462603878,272.178994178772,11.0,0.0,92.23,22.0,2.0,10.0,21.0,6.0,6.0,2.7904,7.0 +InChI%3D1S%2FC12H13ClF3N3O4%2Fc1-2-4-17%285-3-13%2911-9%2818%2820%2921%296-8%2812%2814%2C15%2916%297-10%2811%2919%2822%2923%2Fh6-7H%2C2-5H2%2C1H3,23.0,0.347826086956522,21.0434782608696,112.0,82.312,8.90909090909091,6.0,5.5,342.595991134644,9.0,4.0,94.88,23.0,0.0,8.0,23.0,5.0,8.0,5.0234,1.0 +InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3,10.0,0.0,8.1,48.0,45.0654,2.93877551020408,6.0,1.75,122.105997085571,5.0,0.0,26.02,10.0,0.0,4.0,10.0,1.0,0.0,2.194,1.0 +InChI%3D1S%2FCCl2F2%2Fc2-1%283%2C4%295,4.0,0.0,5.0,20.0,16.653,1.0,0.0,0.0,120.912996292114,2.0,4.0,0.0,4.0,0.0,1.0,5.0,0.0,0.0,2.0143,0.0 +InChI%3D1S%2FC17H12Cl2N2O%2Fc18-14-7-5-12%286-8-14%2917%2822%2C13-9-20-11-21-10-13%2915-3-1-2-4-16%2815%2919%2Fh1-11%2C22H,24.0,0.125,16.84375,116.0,87.0368,7.26643598615917,18.0,3.44047080126754,319.1059923172,9.0,2.0,46.01,24.0,1.0,8.0,22.0,3.0,3.0,4.0676,3.0 +InChI%3D1S%2FC12H14ClNO2%2Fc1-12%282%298-16-14%2811%2812%2915%297-9-5-3-4-6-10%289%2913%2Fh3-6H%2C7-8H2%2C1-2H3,17.0,0.117647058823529,12.4567474048443,84.0,59.5152,4.704,6.0,2.65140478668054,225.589994430542,8.0,1.0,29.54,17.0,0.0,7.0,16.0,3.0,2.0,2.5779,3.0 +InChI%3D1S%2FC19H20FN3O3%2Fc1-21-7-12-4-11%2821%298-22%2812%2917-6-16-13%285-15%2817%2920%2918%2824%2914%2819%2825%2926%299-23%2816%2910-2-3-10%2Fh5-6%2C9-12H%2C2-4%2C7-8H2%2C1H3%2C%28H%2C25%2C26%29,30.0,0.1,18.0555555555556,154.0,89.1661,6.51878678134903,11.0,2.78260869565217,337.224991798401,12.0,1.0,69.81,30.0,2.0,11.0,26.0,3.0,3.0,0.948800000000001,5.0 +InChI%3D1S%2FC17H17N2%2Fc1-18-16%2814-9-5-3-6-10-14%2913-17%2819%2818%292%2915-11-7-4-8-12-15%2Fh3-13H%2C1-2H3,21.0,0.0952380952380952,13.9591836734694,100.0,74.6884,6.18549346016647,12.0,2.88,232.200994491577,10.0,0.0,6.48,21.0,0.0,9.0,19.0,2.0,2.0,3.4368,2.0 +InChI%3D1S%2FC10H12O5%2Fc1-2-3-15-10%2814%296-4-7%2811%299%2813%298%2812%295-6%2Fh4-5%2C11-13H%2C2-3H2%2C1H3,15.0,0.266666666666667,13.0666666666667,70.0,52.0099,5.915,6.0,3.5,200.104994773865,9.0,0.0,86.99,15.0,3.0,8.0,15.0,5.0,4.0,1.3702,5.0 +InChI%3D1S%2FC8H10NO5PS%2Fc1-12-15%2816%2C13-2%2914-8-5-3-7%284-6-8%299%2810%2911%2Fh3-6H%2C1-2H3,16.0,0.3125,14.0625,76.0,64.421,6.07438016528926,6.0,4.0768,253.130997657776,9.0,0.0,115.41,16.0,0.0,8.0,16.0,6.0,5.0,3.6647,4.0 +InChI%3D1S%2FC16H13ClF3NO4%2Fc1-9%2815%2822%2923-2%2924-11-3-5-12%286-4-11%2925-14-13%2817%297-10%288-21-14%2916%2818%2C19%2920%2Fh3-9H%2C1-2H3,26.0,0.269230769230769,21.301775147929,126.0,82.871,9.27392257121987,12.0,6.2823147647377,362.62598991394,15.0,4.0,57.65,26.0,0.0,14.0,25.0,5.0,7.0,4.4864,5.0 +InChI%3D1S%2FC10H6Cl4O4%2Fc1-17-9%2815%293-5%2811%297%2813%294%2810%2816%2918-2%298%2814%296%283%2912%2Fh1-2H3,18.0,0.222222222222222,16.0555555555556,88.0,69.161,6.43786982248521,6.0,2.96296296296296,325.917991638184,9.0,4.0,52.6,18.0,0.0,8.0,18.0,4.0,4.0,3.8734,4.0 +InChI%3D1S%2FC8H11NO2%2Fc9-5-8%2811%296-1-3-7%2810%294-2-6%2Fh1-4%2C8%2C10-11H%2C5%2C9H2,11.0,0.181818181818182,9.09090909090909,50.0,42.9557,4.13265306122449,6.0,2.5,142.09299659729,7.0,0.0,68.1,11.0,2.0,6.0,11.0,2.0,2.0,-0.3325,2.0 +InChI%3D1S%2FC15H14O2%2Fc1-2-6-12%287-3-1%2914-8-4-5-9-15%2814%2917-11-13-10-16-13%2Fh1-9%2C13H%2C10-11H2,19.0,0.210526315789474,12.0554016620499,88.0,67.113,5.76,12.0,2.87970615243343,212.162994384766,9.0,0.0,21.76,19.0,0.0,8.0,17.0,2.0,4.0,3.1312,2.0 +InChI%3D1S%2FC7H8N2O2%2Fc1-5-2-3-6%289%2810%2911%294-7%285%298%2Fh2-4H%2C8H2%2C1H3,11.0,0.0909090909090909,9.09090909090909,52.0,44.4134,3.6,6.0,2.21453287197232,144.088996887207,6.0,0.0,71.84,11.0,0.0,5.0,11.0,3.0,1.0,2.0086,1.0 +InChI%3D1S%2FC12H15ClNO4PS2%2Fc1-3-16-19%2820%2C17-4-2%2921-8-14-10-6-5-9%2813%297-11%2810%2918-12%2814%2915%2Fh5-7H%2C3-4%2C8H2%2C1-2H3,22.0,0.318181818181818,17.3553719008264,106.0,90.838,7.51300728407908,10.0,4.2603550295858,352.695997238159,11.0,1.0,120.8,22.0,0.0,10.0,21.0,5.0,7.0,4.8867,7.0 +InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5%2C9H%2C1H3,11.0,0.181818181818182,9.09090909090909,50.0,39.4463,4.13265306122449,6.0,2.5,144.08499622345,7.0,0.0,46.53,11.0,1.0,6.0,11.0,3.0,2.0,1.1788,3.0 +InChI%3D1S%2FC15H24NO4PS%2Fc1-6-18-21%2822%2C16-11%282%293%2920-14-10-8-7-9-13%2814%2915%2817%2919-12%284%295%2Fh7-12H%2C6H2%2C1-5H3%2C%28H%2C16%2C22%29,22.0,0.409090909090909,20.0454545454545,104.0,92.0302,9.33333333333333,6.0,6.97887970615243,321.208995819092,10.0,0.0,98.69,22.0,1.0,9.0,22.0,6.0,9.0,4.5402,6.0 +InChI%3D1S%2FC11H18N4O2%2Fc1-7-8%282%2912-10%2814%283%294%2913-9%287%2917-11%2816%2915%285%296%2Fh1-6H3,17.0,0.235294117647059,15.0588235294118,82.0,65.544,6.25,6.0,4.0,220.146995544434,8.0,0.0,58.56,17.0,0.0,7.0,17.0,6.0,4.0,1.2198,6.0 +InChI%3D1S%2FC24H46O6%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22%2827%2929-19-21%2826%2924-23%2828%2920%2825%2918-30-24%2Fh20-21%2C23-26%2C28H%2C2-19H2%2C1H3,30.0,0.666666666666667,28.0333333333333,130.0,118.2654,18.56,0.0,13.9171597633136,384.257989883423,24.0,0.0,96.22,30.0,3.0,23.0,30.0,6.0,20.0,4.27260000000001,6.0 +InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3,10.0,0.1,8.1,48.0,36.767,2.93877551020408,5.0,1.55017301038062,134.073997497559,5.0,0.0,63.64,10.0,0.0,4.0,10.0,3.0,1.0,1.1599,2.0 +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%29,14.0,0.142857142857143,12.0714285714286,68.0,57.6008,4.68,6.0,2.34319526627219,248.014995574951,7.0,1.0,55.12,14.0,1.0,6.0,14.0,3.0,2.0,1.9908,4.0 +InChI%3D1S%2FC22H19Br4NO3%2Fc1-21%282%2917%2819%2823%2922%2824%2C25%2926%2918%2821%2920%2828%2930-16%2812-27%2913-7-6-10-15%2811-13%2929-14-8-4-3-5-9-14%2Fh3-11%2C16-19H%2C1-2H3,32.0,0.25,24.638671875,160.0,130.392,9.86805555555556,12.0,5.50676378772112,645.861989021301,15.0,4.0,59.32,32.0,0.0,14.0,30.0,4.0,8.0,7.46098,4.0 +InChI%3D1S%2FC9H10ClN5O2%2Fc10-8-2-1-7%285-12-8%296-14-4-3-11-9%2814%2913-15%2816%2917%2Fh1-2%2C5H%2C3-4%2C6H2%2C%28H%2C11%2C13%29,18.0,0.222222222222222,13.4320987654321,84.0,59.2281,6.25,6.0,4.0,245.584995269775,10.0,1.0,86.34,18.0,1.0,9.0,17.0,6.0,4.0,0.5846,4.0 +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,25.0,0.0,13.44,164.0,92.452,2.22222222222222,0.0,0.473372781065089,510.092987060547,6.0,11.0,0.0,25.0,0.0,5.0,21.0,0.0,0.0,5.8616,0.0 +InChI%3D1S%2FC12H16N3O3PS%2Fc1-3-16-19%2820%2C17-4-2%2918-12-13-10-15%2814-12%2911-8-6-5-7-9-11%2Fh5-10H%2C3-4H2%2C1-2H3,21.0,0.333333333333333,16.3718820861678,98.0,79.75,7.85204081632653,11.0,4.76470588235294,297.190997123718,11.0,0.0,100.3,21.0,0.0,10.0,20.0,6.0,7.0,3.5942,7.0 +InChI%3D1S%2FC8Cl4N2%2Fc9-5-3%281-13%296%2810%298%2812%297%2811%294%285%292-14,14.0,0.0,12.0714285714286,68.0,55.912,4.68,6.0,2.02040816326531,265.913993835449,6.0,4.0,47.58,14.0,0.0,5.0,14.0,2.0,0.0,4.04356,2.0 +InChI%3D1S%2FC9H18N2O2S%2Fc1-9%282%2C3%297%286-14-5%2911-13-8%2812%2910-4%2Fh6H2%2C1-5H3%2C%28H%2C10%2C12%29,13.0,0.384615384615385,14.0,60.0,62.3448,6.47750865051903,0.0,6.1875,200.177997589111,8.0,0.0,79.48,13.0,1.0,7.0,14.0,5.0,5.0,2.3119,5.0 +InChI%3D1S%2FC16H15F2N3Si%2Fc1-22%2812-21-11-19-10-20-21%2C15-6-2-13%2817%293-7-15%2916-8-4-14%2818%295-9-16%2Fh2-11H%2C12H2%2C1H3,24.0,0.166666666666667,16.84375,116.0,77.7782,7.26643598615917,17.0,3.92561983471074,300.278993606567,10.0,2.0,30.71,24.0,0.0,9.0,22.0,3.0,4.0,2.2549,3.0 +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%2C1H2,20.0,0.0,13.005,114.0,81.216,3.17896274653031,0.0,0.998959417273673,403.733989715576,6.0,8.0,0.0,20.0,0.0,5.0,18.0,0.0,0.0,5.6828,0.0 +InChI%3D1S%2FC9H4Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-4H,17.0,0.117647058823529,12.4567474048443,86.0,62.6032,4.3491124260355,6.0,2.48828125,292.5299949646,7.0,3.0,62.68,17.0,0.0,6.0,16.0,4.0,2.0,3.1964,4.0 +InChI%3D1S%2FC6H10O%2Fc7-6-4-2-1-3-5-6%2Fh1-5H2,7.0,0.0,5.14285714285714,30.0,28.092,2.34375,0.0,1.5,88.0649976730347,4.0,0.0,17.07,7.0,0.0,3.0,7.0,1.0,0.0,1.5196,1.0 +InChI%3D1S%2FC17H12ClFN2O%2Fc18-16-4-2-1-3-15%2816%2917%2822%2C13-9-20-11-21-10-13%2912-5-7-14%2819%298-6-12%2Fh1-11%2C22H,24.0,0.125,16.84375,116.0,81.9848,7.26643598615917,18.0,3.44047080126754,302.650992393494,9.0,2.0,46.01,24.0,1.0,8.0,22.0,3.0,3.0,3.5533,3.0 +InChI%3D1S%2FC15H16Cl3N3O2%2Fc1-2-4-20%2815%2822%2921-5-3-19-10-21%296-7-23-14-12%2817%298-11%2816%299-13%2814%2918%2Fh3%2C5%2C8-10H%2C2%2C4%2C6-7H2%2C1H3,24.0,0.333333333333333,19.3263888888889,112.0,91.852,9.474609375,11.0,5.5,360.542991638184,12.0,3.0,47.36,24.0,0.0,11.0,23.0,4.0,8.0,4.6024,5.0 +InChI%3D1S%2FC22H17N3O5%2Fc1-27-13-17%2822%2826%2928-2%2916-8-4-6-10-19%2816%2930-21-11-20%2824-14-25-21%2929-18-9-5-3-7-15%2818%2912-23%2Fh3-11%2C13-14H%2C1-2H3,32.0,0.25,24.638671875,148.0,106.781,12.8888888888889,18.0,6.99768595041322,386.257990837097,14.0,0.0,103.56,32.0,0.0,13.0,30.0,8.0,8.0,4.09318,8.0 +InChI%3D1S%2FC15H17Cl2N3O%2Fc1-15%282%2C3%2914%2821%2913%2820-9-18-8-19-20%296-10-4-5-11%2816%297-12%2810%2917%2Fh4-9%2C14%2C21H%2C1-3H3,22.0,0.181818181818182,17.3553719008264,108.0,86.1128,7.05078125,11.0,4.48753462603878,309.090992927551,9.0,2.0,50.94,22.0,1.0,8.0,21.0,3.0,4.0,3.99,4.0 +InChI%3D1S%2FC6H3Cl3N2O2%2Fc7-1-3%2810%292%288%295%289%2911-4%281%296%2812%2913%2Fh%28H2%2C10%2C11%29%28H%2C12%2C13%29,13.0,0.0769230769230769,11.0769230769231,64.0,48.6964,4.02216066481994,6.0,2.08333333333333,238.436994552612,6.0,3.0,79.04,13.0,1.0,5.0,13.0,3.0,1.0,0.9875,4.0 +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%2C3-4H2,17.0,0.117647058823529,12.4567474048443,86.0,62.8682,4.3491124260355,0.0,2.48828125,292.5299949646,7.0,3.0,62.68,17.0,0.0,6.0,16.0,4.0,2.0,2.8514,4.0 +InChI%3D1S%2FC21H28O2%2Fc1-13%282%2917-11-15%287-9-19%2817%2922%2921%285%2C6%2916-8-10-20%2823%2918%2812-16%2914%283%294%2Fh7-14%2C22-23H%2C1-6H3,24.0,0.166666666666667,19.3263888888889,120.0,96.5196,7.48611111111111,12.0,4.15879017013232,284.228992462158,10.0,0.0,40.46,24.0,2.0,9.0,23.0,2.0,4.0,5.6705,2.0 +InChI%3D1S%2FC24H17N5O7%2Fc1-36-21-10-9-17%2829%2834%2935%2913-20%2821%2926-27-22-18-8-3-2-5-14%2818%2911-19%2823%2822%2930%2924%2831%2925-15-6-4-7-16%2812-15%2928%2832%2933%2Fh2-13%2C30H%2C1H3%2C%28H%2C25%2C31%29,39.0,0.179487179487179,28.9940828402367,188.0,135.6946,13.3752066115702,23.0,7.15856633514731,470.291989326477,16.0,0.0,178.41,39.0,2.0,15.0,36.0,10.0,7.0,7.4685,6.0 +InChI%3D1S%2FC14H17Cl2N3O%2Fc1-2-3-6-14%2820%2C8-19-10-17-9-18-19%2912-5-4-11%2815%297-13%2812%2916%2Fh4-5%2C7%2C9-10%2C20H%2C2-3%2C6%2C8H2%2C1H3,21.0,0.285714285714286,16.3718820861678,100.0,79.9058,7.31985731272295,11.0,4.25,297.079993247986,9.0,2.0,50.94,21.0,1.0,8.0,20.0,3.0,6.0,3.6629,4.0 +InChI%3D1S%2FC10H13ClO%2Fc1-10%282%2C3%297-4-5-9%2812%298%2811%296-7%2Fh4-6%2C12H%2C1-3H3,12.0,0.0833333333333333,10.0833333333333,60.0,51.8168,3.39506172839506,6.0,2.49307479224377,171.561995506287,6.0,1.0,20.23,12.0,1.0,5.0,12.0,1.0,1.0,3.3431,1.0 +InChI%3D1S%2FC12H14O4%2Fc1-3-15-11%2813%299-7-5-6-8-10%289%2912%2814%2916-4-2%2Fh5-8H%2C3-4H2%2C1-2H3,16.0,0.375,14.0625,72.0,58.355,7.35,6.0,4.0768,208.127994537354,9.0,0.0,52.6,16.0,0.0,8.0,16.0,4.0,6.0,2.04,4.0 +InChI%3D1S%2FC8H5Cl3O3%2Fc9-4-1-6%2811%297%282-5%284%2910%2914-3-8%2812%2913%2Fh1-2H%2C3H2%2C%28H%2C12%2C13%29,14.0,0.214285714285714,12.0714285714286,66.0,52.6605,5.18559556786704,6.0,3.59183673469388,250.44399356842,8.0,3.0,49.36,14.0,1.0,7.0,14.0,2.0,3.0,1.7755,3.0 +InChI%3D1S%2FC5H13ClN%2Fc1-7%282%2C3%295-4-6%2Fh4-5H2%2C1-3H3,6.0,0.333333333333333,7.0,28.0,33.6194,2.34375,0.0,6.0,109.5149974823,4.0,1.0,0.0,6.0,0.0,3.0,7.0,0.0,2.0,0.9314,0.0 +InChI%3D1S%2FC9H9ClO3%2Fc1-6%289%2811%2912%2913-8-4-2-3-7%2810%295-8%2Fh2-6H%2C1H3%2C%28H%2C11%2C12%29,13.0,0.230769230769231,11.0769230769231,60.0,47.2355,5.0242214532872,6.0,3.7037037037037,191.548995018005,7.0,1.0,49.36,13.0,1.0,6.0,13.0,2.0,3.0,0.857199999999999,3.0 +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%29,17.0,0.117647058823529,12.4567474048443,84.0,61.4688,4.704,6.0,2.83111111111111,206.135994911194,8.0,0.0,51.05,17.0,1.0,7.0,16.0,4.0,2.0,2.3227,4.0 +InChI%3D1S%2FC16H17NO%2Fc1-17%282%2916%2818%2915%2813-9-5-3-6-10-13%2914-11-7-4-8-12-14%2Fh3-12%2C15H%2C1-2H3,19.0,0.210526315789474,14.409972299169,88.0,73.421,6.9632,12.0,3.75,222.181994438171,8.0,0.0,20.31,19.0,0.0,7.0,18.0,2.0,4.0,2.9067,2.0 +InChI%3D1S%2FC9H13N%2Fc1-8%2810%297-9-5-3-2-4-6-9%2Fh2-6%2C8H%2C7%2C10H2%2C1H3,10.0,0.2,8.1,44.0,44.6301,4.0,6.0,3.11111111111111,122.105997085571,6.0,0.0,27.64,10.0,0.0,5.0,10.0,0.0,2.0,0.8595,0.0 +InChI%3D1S%2FC31H42O2%2Fc1-24%2814-9-10-15-25%282%2918-12-19-28%285%2930%2832%2933-8%2916-11-17-26%283%2921-22-29-27%284%2920-13-23-31%2829%2C6%297%2Fh9-12%2C14-19%2C21-22H%2C13%2C20%2C23H2%2C1-8H3,33.0,0.303030303030303,31.030303030303,152.0,143.936,16.6316928069227,0.0,13.0375735626981,404.338989257812,22.0,0.0,26.3,33.0,0.0,21.0,33.0,2.0,10.0,8.696,2.0 +InChI%3D1S%2FC7H5NO3S%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%2Fh1-4H%2C%28H%2C8%2C9%29,13.0,0.0,8.59171597633136,66.0,40.029,2.75,6.0,1.33136094674556,178.14799785614,5.0,0.0,75.11,13.0,1.0,4.0,12.0,4.0,0.0,1.2099,4.0 +InChI%3D1S%2FC8H6Cl2O3%2Fc1-13-7-5%2810%293-2-4%289%296%287%298%2811%2912%2Fh2-3H%2C1H3%2C%28H%2C11%2C12%29,13.0,0.153846153846154,11.0769230769231,62.0,48.031,4.48148148148148,6.0,2.26843100189036,214.99099445343,5.0,2.0,49.36,13.0,1.0,4.0,13.0,2.0,2.0,1.3655,3.0 +InChI%3D1S%2FC17H27NO3S%2Fc1-3-6-14%2818-21-4-2%2917-15%2819%299-13%2810-16%2817%2920%2912-7-5-8-22-11-12%2Fh12-13%2C18H%2C3-11H2%2C1-2H3,23.0,0.260869565217391,18.3402646502836,106.0,89.4827,9.33333333333333,0.0,4.99671268902038,298.257994651794,12.0,0.0,80.7,23.0,1.0,11.0,22.0,5.0,6.0,3.2731,5.0 +InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-4%288%296-5-3%2Fh1-2H%2C%28H%2C5%2C7%29%28H%2C6%2C8%29,8.0,0.0,6.125,36.0,25.3616,2.52,6.0,1.8,108.055997848511,5.0,0.0,66.24,8.0,2.0,4.0,8.0,4.0,0.0,-0.1122,4.0 +InChI%3D1S%2FC14H19NO%2Fc1-5-16-11-6-7-13-12%288-11%2910%282%299-14%283%2C4%2915-13%2Fh6-9%2C15H%2C5H2%2C1-4H3,17.0,0.117647058823529,12.4567474048443,84.0,65.5829,4.704,6.0,2.83111111111111,198.159995079041,9.0,0.0,21.26,17.0,1.0,8.0,16.0,2.0,2.0,3.8307,2.0 +InChI%3D1S%2FC14H7ClF3NO5.Na%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%3B%2Fh1-6H%2C%28H%2C20%2C21%29%3B%2Fq%3B%2B1%2Fp-1,25.0,0.2,20.3136,124.0,76.809,8.13148283418554,12.0,5.25,354.602990150452,12.0,4.0,95.18,25.0,1.0,11.0,24.0,4.0,5.0,3.946,3.0 +InChI%3D1S%2FC12H9ClF3N3O%2Fc1-17-9-6-18-19%2811%2820%2910%289%2913%298-4-2-3-7%285-8%2912%2814%2C15%2916%2Fh2-6%2C17H%2C1H3,21.0,0.142857142857143,16.3718820861678,104.0,69.3927,6.40582726326743,12.0,3.62130177514793,294.598992347717,10.0,4.0,46.92,21.0,1.0,9.0,20.0,3.0,3.0,2.9464,4.0 +InChI%3D1S%2FC15H17Cl2N3O2%2Fc1-2-3-12-7-21-15%2822-12%2C8-20-10-18-9-19-20%2913-5-4-11%2816%296-14%2813%2917%2Fh4-6%2C9-10%2C12H%2C2-3%2C7-8H2%2C1H3,24.0,0.208333333333333,16.84375,116.0,83.895,7.26643598615917,11.0,3.75308641975309,325.089992523193,10.0,2.0,49.17,24.0,0.0,9.0,22.0,4.0,5.0,3.6534,5.0 +InChI%3D1S%2FC17H16Cl2O3%2Fc1-11%282%2922-16%2820%2917%2821%2C12-3-7-14%2818%298-4-12%2913-5-9-15%2819%2910-6-13%2Fh3-11%2C21H%2C1-2H3,23.0,0.217391304347826,18.3402646502836,112.0,87.1308,7.71349862258953,12.0,4.30839002267574,323.089991569519,10.0,2.0,46.53,23.0,1.0,9.0,22.0,3.0,5.0,4.1809,3.0 +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%2C1-3H3,18.0,0.388888888888889,16.0555555555556,82.0,75.28,8.22684310018904,6.0,3.99583766909469,249.611993789673,7.0,1.0,29.54,18.0,0.0,6.0,18.0,3.0,7.0,2.9871,3.0 +InChI%3D1S%2FC13H11Cl2NO2%2Fc1-12-6-13%2812%2C2%2911%2818%2916%2810%2812%2917%299-4-7%2814%293-8%2815%295-9%2Fh3-5H%2C6H2%2C1-2H3,20.0,0.05,13.005,108.0,66.5862,3.76470588235294,6.0,1.47635524798155,273.053993225098,7.0,2.0,37.38,20.0,0.0,6.0,18.0,3.0,1.0,3.3479,3.0 +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,19.0,0.0,12.0554016620499,108.0,76.098,2.93877551020408,0.0,0.900890548692904,368.280990600586,6.0,7.0,0.0,19.0,0.0,5.0,17.0,0.0,0.0,5.2415,0.0 +InChI%3D1S%2FC9H8Cl2O3%2Fc1-5%289%2812%2913%2914-8-3-2-6%2810%294-7%288%2911%2Fh2-5H%2C1H3%2C%28H%2C12%2C13%29,14.0,0.214285714285714,12.0714285714286,66.0,52.2455,5.18559556786704,6.0,3.59183673469388,227.001994132996,8.0,2.0,49.36,14.0,1.0,7.0,14.0,2.0,3.0,1.5106,3.0 +InChI%3D1S%2FC2H6N4S2%2Fc3-1%287%295-6-2%284%298%2Fh%28H3%2C3%2C5%2C7%29%28H3%2C4%2C6%2C8%29,7.0,0.428571428571429,8.0,30.0,39.6968,3.9375,0.0,7.2,144.184001922607,5.0,0.0,149.36,7.0,6.0,4.0,8.0,6.0,3.0,-0.1902,6.0 +InChI%3D1S%2FC48H81NO17%2Fc1-15-35-32%2823-60-45-42%2859-14%2941%2858-13%2938%2854%2928%285%2961-45%2920-25%282%2916-17-33%2851%2926%283%2921-31%2818-19-50%2939%2827%284%2934%2852%2922-36%2853%2962-35%2966-48%2810%2944%2856%2937%2849%2811%2912%2940%2829%286%2964-48%2965-47%289%2924-46%288%2C57%2943%2855%2930%287%2963-47%2Fh16-17%2C19-20%2C26-32%2C34-35%2C37-45%2C52%2C54-57H%2C15%2C18%2C21-24H2%2C1-14H3,69.0,0.188405797101449,58.5696282293636,344.0,240.8297,25.0956734847771,0.0,14.5880490700435,862.517977714539,25.0,0.0,239.87,69.0,6.0,24.0,66.0,17.0,13.0,1.1966,17.0 +InChI%3D1S%2FC13H17NO4%2Fc1-3-7-17-12%2815%2910-5-6-11%2814-9-10%2913%2816%2918-8-4-2%2Fh5-6%2C9H%2C3-4%2C7-8H2%2C1-2H3,18.0,0.444444444444444,16.0555555555556,80.0,65.384,8.99173553719008,6.0,5.68047337278106,234.145994186401,13.0,0.0,65.49,18.0,0.0,12.0,18.0,5.0,8.0,2.2152,5.0 +InChI%3D1S%2FC8H10N6%2Fc9-3-5-6%2810%2913-8%2814-7%285%2911%2912-4-1-2-4%2Fh4H%2C1-2H2%2C%28H5%2C10%2C11%2C12%2C13%2C14%29,15.0,0.0666666666666667,10.5155555555556,72.0,48.7105,4.24489795918367,6.0,2.17283950617284,180.129997253418,8.0,0.0,117.6,15.0,3.0,7.0,14.0,4.0,1.0,-0.66072,4.0 +InChI%3D1S%2FC42H71NO9%2Fc1-10-27-12-11-13-35%2852-38-17-16-34%2843%285%296%2925%284%2949-38%2924%283%2939%2845%2933-21-31-29%2832%2833%2922-37%2844%2951-27%2915-14-26-19-28%2820-30%2826%2931%2950-36-18-23%282%2940%2846-7%2942%2848-9%2941%2836%2947-8%2Fh23-36%2C38%2C40-42H%2C10-22H2%2C1-9H3,57.0,0.157894736842105,41.6288088642659,280.0,198.8427,18.5077660037741,0.0,9.10374554102259,662.459982872009,22.0,0.0,103.19,57.0,1.0,21.0,52.0,9.0,9.0,5.0378,9.0 +InChI%3D1S%2FC22H23NO3%2Fc1-21%282%2919%2822%2821%2C3%294%2920%2824%2926-18%2814-23%2915-9-8-12-17%2813-15%2925-16-10-6-5-7-11-16%2Fh5-13%2C18-19H%2C1-4H3,28.0,0.214285714285714,20.7270408163265,140.0,98.456,8.16326530612245,12.0,4.07756232686981,326.245991706848,13.0,0.0,59.32,28.0,0.0,12.0,26.0,4.0,6.0,5.26898000000001,4.0 +InChI%3D1S%2FC7H3Cl2N%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-3H,10.0,0.0,8.1,46.0,41.177,3.40828402366864,6.0,1.75,168.989995956421,5.0,2.0,23.79,10.0,0.0,4.0,10.0,1.0,0.0,2.86508,1.0 +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%2C3H2,21.0,0.0,11.7959183673469,120.0,78.054,2.86127547666009,0.0,0.855424370683894,356.849990844727,6.0,6.0,0.0,21.0,0.0,5.0,18.0,0.0,0.0,5.2702,0.0 +InChI%3D1S%2FC10H6N2OS2%2Fc1-5-2-3-6-7%284-5%2912-9-8%2811-6%2914-10%2813%2915-9%2Fh2-4H%2C1H3,17.0,0.0,10.1730103806228,84.0,63.805,3.7856,15.0,1.85123966942149,228.256999015808,8.0,0.0,99.33,17.0,0.0,7.0,15.0,3.0,0.0,2.5746,5.0 +InChI%3D1S%2FCHBr2Cl%2Fc2-1%283%294%2Fh1H,3.0,0.0,4.0,12.0,27.495,1.33333333333333,0.0,0.0,207.271997451782,2.0,3.0,0.0,3.0,0.0,1.0,4.0,0.0,0.0,2.2986,0.0 +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%29,14.0,0.142857142857143,12.0714285714286,64.0,54.7514,5.77777777777778,6.0,4.38781163434903,201.575996398926,8.0,1.0,69.19,14.0,2.0,7.0,14.0,3.0,2.0,0.6209,3.0 +InChI%3D1S%2FC16H15Cl3O2%2Fc1-20-13-7-3-11%284-8-13%2915%2816%2817%2C18%2919%2912-5-9-14%2821-2%2910-6-12%2Fh3-10%2C15H%2C1-2H3,22.0,0.227272727272727,17.3553719008264,106.0,88.121,7.51300728407908,12.0,4.48753462603878,330.532991409302,12.0,3.0,18.46,22.0,0.0,11.0,21.0,2.0,5.0,5.2059,2.0 +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%2C1H2,23.0,0.0,11.6370510396975,134.0,77.575,2.68698347107438,0.0,0.757396449704142,372.848990440369,6.0,6.0,12.53,23.0,0.0,5.0,19.0,1.0,0.0,4.4814,1.0 +InChI%3D1S%2FC5H13ClN%2Fc1-7%282%2C3%295-4-6%2Fh4-5H2%2C1-3H3%2Fq%2B1,6.0,0.333333333333333,7.0,28.0,33.6194,2.34375,0.0,6.0,109.5149974823,4.0,1.0,0.0,6.0,0.0,3.0,7.0,0.0,2.0,0.9314,0.0 +InChI%3D1S%2FC9H17NOS%2Fc1-2-12-9%2811%2910-7-5-3-4-6-8-10%2Fh2-8H2%2C1H3,12.0,0.25,10.0833333333333,52.0,51.3492,5.61224489795918,0.0,3.515625,170.171998023987,7.0,0.0,45.61,12.0,0.0,6.0,12.0,3.0,3.0,2.6734,3.0 +InChI%3D1S%2FC18H24N2O4%2Fc1-6-18%283%2C7-2%2914-11-15%2824-20-14%2919-17%2821%2916-12%2822-4%299-8-10-13%2816%2923-5%2Fh8-11H%2C6-7H2%2C1-5H3%2C%28H%2C19%2C21%29,25.0,0.32,20.3136,120.0,91.9362,9.08734693877551,11.0,4.60117700316885,308.207992553711,11.0,0.0,73.59,25.0,1.0,10.0,24.0,5.0,8.0,4.0218,6.0 +InChI%3D1S%2FC17H26ClNO3S%2Fc1-4-14%2819-22-8-6-7-18%2917-15%2820%2910-13%2811-16%2817%2921%299-12%283%2923-5-2%2Fh6-7%2C12-13%2C19H%2C4-5%2C8-11H2%2C1-3H3,23.0,0.391304347826087,21.0434782608696,104.0,96.3467,11.5362663495838,0.0,7.18367346938776,333.710993766785,15.0,1.0,80.7,23.0,1.0,14.0,23.0,5.0,9.0,4.0041,5.0 +InChI%3D1S%2FC19H26O4S%2Fc1-5-14-21-24%2820%2923-18-9-7-6-8-17%2818%2922-16-12-10-15%2811-13-16%2919%282%2C3%294%2Fh1%2C10-13%2C17-18H%2C6-9%2C14H2%2C2-4H3,25.0,0.28,20.3136,118.0,95.9615,9.62975778546713,6.0,6.68244575936884,324.271993637085,14.0,0.0,63.97,25.0,0.0,13.0,24.0,4.0,7.0,4.7849,4.0 +InChI%3D1S%2FC14H16ClO5PS%2Fc1-4-17-21%2822%2C18-5-2%2920-10-6-7-11-9%283%2913%2815%2914%2816%2919-12%2811%298-10%2Fh6-8H%2C4-5H2%2C1-3H3,23.0,0.260869565217391,18.3402646502836,112.0,90.622,7.71349862258953,11.0,4.30839002267574,346.642994880676,11.0,1.0,99.8,23.0,0.0,10.0,22.0,5.0,6.0,5.0817,6.0 +InChI%3D1S%2FC18H16ClNO5%2Fc1-3-22-17%2821%2911%282%2923-13-5-7-14%288-6-13%2924-18-20-15-9-4-12%2819%2910-16%2815%2925-18%2Fh4-11H%2C3H2%2C1-2H3,27.0,0.259259259259259,19.7530864197531,128.0,92.258,9.27392257121987,16.0,5.48960302457467,345.652991294861,16.0,1.0,70.79,27.0,0.0,15.0,25.0,5.0,7.0,4.6039,6.0 +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%2C1-3H3,22.0,0.136363636363636,14.9173553719008,106.0,85.2199,6.40582726326743,12.0,3.12244897959184,264.267995834351,8.0,0.0,32.98,22.0,1.0,7.0,20.0,2.0,3.0,2.8873,1.0 +InChI%3D1S%2FC28H31N2O3%2Fc1-6-29-23-15-25-21%2813-17%2823%294%2927%2819-11-9-10-12-20%2819%2928%2831%2932-8-3%2922-14-18%285%2924%2830-7-2%2916-26%2822%2933-25%2Fh9-16%2C29-30H%2C6-8H2%2C1-5H3,36.0,0.222222222222222,26.0740740740741,174.0,134.1029,11.8231449442522,18.0,5.55555555555556,412.318989753723,13.0,0.0,59.59,36.0,2.0,12.0,33.0,5.0,8.0,6.6296,5.0 +InChI%3D1S%2FC10H15O3PS2%2Fc1-8-7-9%285-6-10%288%2916-4%2913-14%2815%2C11-2%2912-3%2Fh5-7H%2C1-4H3,16.0,0.3125,14.0625,76.0,72.117,6.07438016528926,6.0,3.76923076923077,263.214999198914,9.0,0.0,94.89,16.0,0.0,8.0,16.0,5.0,5.0,4.2636,5.0 +InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H,7.0,0.142857142857143,5.14285714285714,30.0,24.0955,2.34375,5.0,1.18518518518519,92.0529975891113,4.0,0.0,30.21,7.0,0.0,3.0,7.0,1.0,1.0,1.0921,2.0 +InChI%3D1S%2FC10H5Cl7O%2Fc11-3-1-2%284-5%283%2918-4%299%2815%297%2813%296%2812%298%281%2C14%2910%289%2C16%2917%2Fh1-5H,21.0,0.0,11.7959183673469,122.0,75.619,2.72,0.0,0.783673469387755,384.279990196228,6.0,7.0,12.53,21.0,0.0,5.0,18.0,1.0,0.0,4.4527,1.0 +InChI%3D1S%2FC9H14O%2Fc1-7-4-8%2810%296-9%282%2C3%295-7%2Fh4H%2C5-6H2%2C1-3H3,10.0,0.0,8.1,50.0,41.779,2.56,0.0,2.28571428571429,124.097996711731,4.0,0.0,17.07,10.0,0.0,3.0,10.0,1.0,0.0,2.3218,1.0 +InChI%3D1S%2FC7H9NO%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5H%2C8H2%2C1H3,9.0,0.111111111111111,7.11111111111111,40.0,37.4064,3.2396694214876,6.0,2.0,114.082997322083,6.0,0.0,35.25,9.0,0.0,5.0,9.0,2.0,1.0,1.2774,2.0 +InChI%3D1S%2FC8H18NO4PS2%2Fc1-9-8%2810%294-5-15-6-7-16-14%2811%2C12-2%2913-3%2Fh4-7H2%2C1-3H3%2C%28H%2C9%2C10%29,15.0,0.6,16.0,66.0,72.0123,9.07407407407407,0.0,7.8641975308642,269.198999404907,11.0,0.0,128.53,15.0,1.0,10.0,16.0,7.0,9.0,2.8301,7.0 +InChI%3D1S%2FC39H42N3O6S2%2Fc1-5-41%2827-29-9-7-11-37%2825-29%2949%2843%2C44%2945%2935-21-15-32%2816-22-35%2939%2831-13-19-34%2820-14-31%2940%283%294%2933-17-23-36%2824-18-33%2942%286-2%2928-30-10-8-12-38%2826-30%2950%2846%2C47%2948%2Fh7-26H%2C5-6%2C27-28H2%2C1-4H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29,54.0,0.240740740740741,41.1694101508916,264.0,198.2655,18.5562130177515,24.0,11.2753019575177,670.577987670898,22.0,0.0,142.08,54.0,3.0,21.0,50.0,6.0,13.0,7.1504,8.0 +InChI%3D1S%2FC5H12NO4P%2Fc1-11%289%2C10%293-2-4%286%295%287%298%2Fh4H%2C2-3%2C6H2%2C1H3%2C%28H%2C7%2C8%29%28H%2C9%2C10%29,10.0,0.4,11.0,48.0,39.7369,4.13265306122449,0.0,6.4,169.031997680664,6.0,0.0,114.88,10.0,2.0,5.0,11.0,3.0,4.0,-2.3629,4.0 +InChI%3D1S%2FC12H8Cl6O%2Fc13-8-9%2814%293-1-4-5%282%283%297-6%281%2919-7%2911%289%2C16%2912%2817%2C18%2910%284%2C8%2915%2Fh1-8H,24.0,0.0,10.6875,146.0,75.941,2.16659725114536,0.0,0.532778355879292,372.848990440369,6.0,6.0,12.53,24.0,0.0,5.0,19.0,1.0,0.0,3.6169,1.0 +InChI%3D1S%2FC9H7NO%2Fc11-8-5-1-3-7-4-2-6-10-9%287%298%2Fh1-6%2C11H,12.0,0.0,7.63888888888889,56.0,43.4078,3.1640625,11.0,1.45124716553288,138.104996681213,5.0,0.0,33.12,12.0,1.0,4.0,11.0,2.0,0.0,1.9404,2.0 +InChI%3D1S%2FC20H32N2O3S%2Fc1-6-8-13-22%2814-9-7-2%2926-21%285%2919%2823%2924-17-12-10-11-16-15-20%283%2C4%2925-18%2816%2917%2Fh10-12H%2C6-9%2C13-15H2%2C1-5H3,27.0,0.407407407407407,22.2908093278464,128.0,107.62,10.518626734843,6.0,6.84297520661157,348.297993659973,13.0,0.0,67.31,27.0,0.0,12.0,26.0,6.0,11.0,5.2961,6.0 +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%2C1-2H3,25.0,0.52,20.3136,110.0,92.762,12.3688888888889,6.0,7.42439737034332,308.203991889954,16.0,0.0,46.15,25.0,0.0,15.0,24.0,5.0,13.0,3.7177,5.0 +InChI%3D1S%2FC19H26O3%2Fc1-7-8-13-12%284%2916%2810-15%2813%2920%2922-18%2821%2917-14%289-11%282%293%2919%2817%2C5%296%2Fh7%2C9%2C14%2C16-17H%2C1%2C8%2C10H2%2C2-6H3,23.0,0.260869565217391,18.3402646502836,116.0,87.21,6.85714285714286,0.0,3.44047080126754,276.205992698669,12.0,0.0,43.37,23.0,0.0,11.0,22.0,3.0,6.0,4.002,3.0 +InChI%3D1S%2FC10H14Cl6N4O2%2Fc11-9%2812%2C13%297%2817-5-21%2919-1-2-20%284-3-19%298%2818-6-22%2910%2814%2C15%2916%2Fh5-8H%2C1-4H2%2C%28H%2C17%2C21%29%28H%2C18%2C22%29,22.0,0.272727272727273,20.0454545454545,108.0,91.0294,8.203125,0.0,5.8641975308642,420.85399055481,11.0,6.0,74.06,22.0,4.0,10.0,22.0,4.0,6.0,3.4734,4.0 +InChI%3D1S%2FC14H24NO4PS3%2Fc1-12%282%2918-20%2821%2C19-13%283%294%2922-11-10-15-23%2816%2C17%2914-8-6-5-7-9-14%2Fh5-9%2C12-13%2C15H%2C10-11H2%2C1-4H3,23.0,0.434782608695652,21.0434782608696,110.0,101.0857,9.474609375,6.0,8.08080808080808,373.331998825073,12.0,0.0,140.21,23.0,1.0,11.0,23.0,7.0,10.0,5.504,7.0 +InChI%3D1S%2FC2H2Cl2%2Fc1-2%283%294%2Fh1H2,3.0,0.0,4.0,12.0,20.846,1.33333333333333,0.0,0.0,94.9279975891113,2.0,2.0,0.0,3.0,0.0,1.0,4.0,0.0,0.0,1.9352,0.0 +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%2918,26.0,0.0,14.3520710059172,172.0,97.546,2.33333333333333,0.0,0.478710002519526,545.545986175537,6.0,12.0,0.0,26.0,0.0,5.0,22.0,0.0,0.0,6.223,0.0 +InChI%3D1S%2FC12H27OPS3%2Fc1-4-7-10-15-14%2813%2C16-11-8-5-2%2917-12-9-6-3%2Fh4-12H2%2C1-3H3,16.0,0.75,17.0,68.0,89.7045,11.1111111111111,0.0,9.679012345679,287.306000709534,10.0,0.0,102.78,16.0,0.0,9.0,17.0,4.0,12.0,6.6944,4.0 +InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3,6.0,0.5,7.0,24.0,26.83,4.16666666666667,0.0,3.84,92.0529975891113,5.0,0.0,26.3,6.0,0.0,4.0,7.0,2.0,3.0,0.7355,2.0 +InChI%3D1S%2FC2H6O2%2Fc3-1-2-4%2Fh3-4H%2C1-2H2,3.0,0.333333333333333,4.0,10.0,14.1716,3.0,0.0,4.0,56.019998550415,3.0,0.0,40.46,3.0,2.0,2.0,4.0,2.0,1.0,-1.029,2.0 +InChI%3D1S%2FC17H17N3O3%2Fc1-9%282%2917%283%2916%2823%2919-14%2820-17%2913-11%2815%2821%2922%298-10-6-4-5-7-12%2810%2918-13%2Fh4-9H%2C1-3H3%2C%28H%2C21%2C22%29%28H%2C19%2C20%2C23%29,25.0,0.12,17.8112,126.0,79.3201,6.71883656509695,11.0,3.25443786982249,294.204993247986,10.0,0.0,94.48,25.0,2.0,9.0,23.0,5.0,3.0,0.653800000000002,6.0 +InChI%3D1S%2FC12H20N4O2%2Fc1-14%282%2910-13-11%2817%2916%2812%2818%2915%2810%293%299-7-5-4-6-8-9%2Fh9H%2C4-8H2%2C1-3H3,19.0,0.105263157894737,14.409972299169,92.0,70.187,5.96982167352538,6.0,2.96296296296296,232.157995223999,9.0,0.0,60.13,19.0,0.0,8.0,18.0,4.0,2.0,0.513199999999999,6.0 +InChI%3D1S%2FC15H17ClN4%2Fc1-2-3-8-15%289-17%2C10-20-12-18-11-19-20%2913-4-6-14%2816%297-5-13%2Fh4-7%2C11-12H%2C2-3%2C8%2C10H2%2C1H3,21.0,0.285714285714286,16.3718820861678,98.0,78.29,7.85204081632653,11.0,4.25,271.645994186401,9.0,1.0,54.5,21.0,0.0,8.0,20.0,3.0,6.0,3.58328,4.0 +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%29,15.0,0.266666666666667,13.0666666666667,68.0,58.8218,6.55401662049861,6.0,4.57142857142857,194.124995231628,8.0,0.0,51.05,15.0,1.0,7.0,15.0,4.0,4.0,2.3964,4.0 +InChI%3D1S%2FC15H11ClO3%2Fc1-19-14%2817%2915%2818%2912-5-3-2-4-10%2812%2911-7-6-9%2816%298-13%2811%2915%2Fh2-8%2C18H%2C1H3,21.0,0.0952380952380952,13.9591836734694,106.0,71.9028,5.080078125,12.0,2.0,263.614993095398,7.0,1.0,46.53,21.0,1.0,6.0,19.0,3.0,2.0,2.7293,3.0 +InChI%3D1S%2FC2H3ClO2%2Fc3-1-2%284%295%2Fh1H2%2C%28H%2C4%2C5%29,4.0,0.25,5.0,16.0,16.4135,2.25,0.0,4.0,91.4729976654053,3.0,1.0,40.13,4.0,1.0,2.0,5.0,1.0,1.0,-1.0249,2.0 +InChI%3D1S%2FC14H6Cl2F4N2O2%2Fc15-5-4-8%2812%2820%2910%2816%2911%285%2919%2921-14%2824%2922-13%2823%299-6%2817%292-1-3-7%289%2918%2Fh1-4H%2C%28H2%2C21%2C22%2C23%2C24%29,25.0,0.12,20.3136,122.0,81.6256,8.5895061728395,12.0,4.80340264650284,375.063989639282,12.0,6.0,65.18,25.0,2.0,11.0,24.0,4.0,3.0,5.1001,4.0 +InChI%3D1S%2FC4H4O4%2Fc5-3%286%291-2-4%287%298%2Fh1-2H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29,7.0,0.285714285714286,8.0,30.0,20.527,3.9375,0.0,7.2,112.03999710083,5.0,0.0,80.26,7.0,2.0,4.0,8.0,2.0,2.0,-2.9576,4.0 +InChI%3D1S%2FC22H14Cl2I2N2O2%2Fc1-11-6-15%2817%2810-27%2912-2-4-13%2823%295-3-12%2918%2824%299-20%2811%2928-22%2830%2916-7-14%2825%298-19%2826%2921%2816%2929%2Fh2-9%2C17%2C29H%2C1H3%2C%28H%2C28%2C30%29,32.0,0.15625,24.638671875,156.0,136.591,10.7448015122873,18.0,5.88,648.967988967896,15.0,4.0,73.12,32.0,2.0,14.0,30.0,4.0,5.0,7.12438,4.0 +InChI%3D1S%2FC20H23N3O2%2Fc1-20%282%2C3%2918%2824%2919%2823-14-21-13-22-23%2925-17-11-9-16%2810-12-17%2915-7-5-4-6-8-15%2Fh4-14%2C18-19%2C24H%2C1-3H3,27.0,0.222222222222222,19.7530864197531,130.0,97.0268,8.79224376731302,17.0,5.25848800362155,314.23899269104,12.0,0.0,60.17,27.0,1.0,11.0,25.0,4.0,6.0,3.9297,5.0 +InChI%3D1S%2FC27H20N4O9S2%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%2Fh1-13%2C32-34H%2C14H2%2C%28H%2C35%2C36%2C37%29%28H%2C38%2C39%2C40%29,46.0,0.152173913043478,33.3657844990548,230.0,147.9572,13.7786179374081,28.0,7.37240075614367,588.449990272522,18.0,0.0,241.29,46.0,5.0,17.0,42.0,11.0,7.0,7.6971,13.0 +InChI%3D1S%2FC8H10O5%2Fc9-7%2810%295-3-1-2-4%2813-3%296%285%298%2811%2912%2Fh3-6H%2C1-2H2%2C%28H%2C9%2C10%29%28H%2C11%2C12%29,14.0,0.142857142857143,9.55102040816327,70.0,36.262,3.29251700680272,0.0,1.4268727705113,176.082995414734,5.0,0.0,89.49,14.0,2.0,4.0,13.0,3.0,2.0,-2.7202,5.0 +InChI%3D1S%2FC18H22N2O2%2Fc1-12%282%2919-10-13%2821%2911-22-17-9-5-8-16-18%2817%2914-6-3-4-7-15%2814%2920-16%2Fh3-9%2C12-13%2C19-21H%2C10-11H2%2C1-2H3,24.0,0.25,16.84375,114.0,91.3689,7.71349862258953,15.0,4.11032990805841,276.209993362427,12.0,0.0,61.86,24.0,2.0,11.0,22.0,2.0,6.0,2.0326,2.0 +InChI%3D1S%2FC17H19NO4%2Fc1-2-20-17%2819%2918-12-13-21-14-8-10-16%2811-9-14%2922-15-6-4-3-5-7-15%2Fh3-11H%2C2%2C12-13H2%2C1H3%2C%28H%2C18%2C19%29,23.0,0.347826086956522,18.3402646502836,102.0,85.0098,10.7142857142857,12.0,7.421875,282.189992904663,16.0,0.0,60.28,23.0,1.0,15.0,22.0,5.0,8.0,3.8082,5.0 +InChI%3D1S%2FC16H20N2O3%2Fc1-9%282%2916%284%2915%2820%2917-13%2818-16%2912-8-10%283%296-7-11%2812%2914%2819%2921-5%2Fh6-9H%2C1-5H3%2C%28H%2C17%2C18%2C20%29,22.0,0.181818181818182,17.3553719008264,110.0,75.0786,6.62993572084481,6.0,3.34710743801653,268.186993598938,9.0,0.0,67.76,22.0,1.0,8.0,21.0,5.0,4.0,1.8371,5.0 +InChI%3D1S%2FC15H16F3N5O4S%2Fc1-9-19-12%2822-14%2820-9%2927-2%2921-13%2824%2923-28%2825%2C26%2911-6-4-3-5-10%2811%297-8-15%2816%2C17%2918%2Fh3-6H%2C7-8H2%2C1-2H3%2C%28H2%2C19%2C20%2C21%2C22%2C23%2C24%29,29.0,0.241379310344828,24.2711058263971,142.0,91.3465,10.3469387755102,12.0,7.98676748582231,403.256992340088,14.0,3.0,138.27,29.0,2.0,13.0,28.0,8.0,7.0,2.901,8.0 +InChI%3D1S%2FC8H8Cl2O2%2Fc1-11-7-3-6%2810%298%2812-2%294-5%287%299%2Fh3-4H%2C1-2H3,12.0,0.166666666666667,10.0833333333333,56.0,49.566,4.296875,6.0,2.25,198.991994857788,7.0,2.0,18.46,12.0,0.0,6.0,12.0,2.0,2.0,3.0106,2.0 +InChI%3D1S%2FC11H9Cl2NO2%2Fc12-6-1-2-7-16-11%2815%2914-10-5-3-4-9%2813%298-10%2Fh3-5%2C8H%2C6-7H2%2C%28H%2C14%2C15%29,16.0,0.1875,14.0625,70.0,65.6238,8.14404432132964,6.0,6.37,249.031993865967,11.0,2.0,41.82,16.0,1.0,10.0,16.0,3.0,3.0,3.1443,3.0 +InChI%3D1S%2FC14H12Cl2N2O%2Fc1-19-18-14%287-10-3-2-6-17-9-10%2912-5-4-11%2815%298-13%2812%2916%2Fh2-6%2C8-9H%2C7H2%2C1H3,20.0,0.2,15.39,92.0,77.949,7.69526627218935,12.0,4.5,283.072993278503,10.0,2.0,34.48,20.0,0.0,9.0,19.0,3.0,4.0,3.9816,3.0 +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%2C1H2,22.0,0.0909090909090909,17.3553719008264,110.0,89.0796,6.62993572084481,12.0,3.34710743801653,400.858989715576,8.0,6.0,40.46,22.0,2.0,7.0,21.0,2.0,2.0,6.609,2.0 +InChI%3D1S%2FCHN%2Fc1-2%2Fh1H,1.0,0.0,2.0,2.0,6.67,0.0,0.0,0.0,26.0179996490479,1.0,0.0,23.79,1.0,0.0,0.0,2.0,1.0,0.0,0.13978,1.0 +InChI%3D1S%2FC7H17O2PS3%2Fc1-4-8-10%2811%2C9-5-2%2913-7-12-6-3%2Fh4-7H2%2C1-3H3,12.0,0.666666666666667,13.0,52.0,68.353,7.40816326530612,0.0,6.12244897959184,243.250001907349,8.0,0.0,110.96,12.0,0.0,7.0,13.0,5.0,8.0,4.3783,5.0 +InChI%3D1S%2FC13H14F3N3O4%2Fc1-4-17%287-8%282%293%2912-10%2818%2820%2921%295-9%2813%2814%2C15%2916%296-11%2812%2919%2822%2923%2Fh5-6H%2C2%2C4%2C7H2%2C1%2C3H3,23.0,0.304347826086957,21.0434782608696,114.0,81.789,8.39273356401384,6.0,5.5,319.153991699219,9.0,3.0,94.88,23.0,0.0,8.0,23.0,5.0,7.0,4.9706,1.0 +InChI%3D1S%2FC2H8NO2PS%2Fc1-5-6%283%2C4%297-2%2Fh1-2H3%2C%28H2%2C3%2C4%29,6.0,0.333333333333333,7.0,28.0,32.3179,2.34375,0.0,2.66666666666667,133.068000793457,4.0,0.0,87.43,6.0,0.0,3.0,7.0,4.0,2.0,1.0626,4.0 +InChI%3D1S%2FC6H10N6%2Fc7-4-10-5%288%2912-6%2811-4%299-3-1-2-3%2Fh3H%2C1-2H2%2C%28H5%2C7%2C8%2C9%2C10%2C11%2C12%29,13.0,0.0769230769230769,8.59171597633136,62.0,39.7885,3.39506172839506,6.0,2.04081632653061,156.107997894287,6.0,0.0,107.43,13.0,5.0,5.0,12.0,3.0,1.0,-1.307,3.0 +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%2C1-2H3,18.0,0.444444444444444,16.0555555555556,82.0,87.53,8.22684310018904,6.0,6.144,326.746999740601,11.0,1.0,110.96,18.0,0.0,10.0,18.0,5.0,8.0,6.0709,5.0 +InChI%3D1S%2FC14H4N2O2S2%2Fc15-5-9-10%286-16%2920-14-12%2818%298-4-2-1-3-7%288%2911%2817%2913%2814%2919-9%2Fh1-4H,22.0,0.0,14.9173553719008,108.0,76.972,6.01171875,15.0,2.493435943866,292.299997329712,9.0,0.0,138.2,22.0,0.0,8.0,20.0,4.0,0.0,2.15136,6.0 +InChI%3D1S%2FAsH3O4%2Fc2-1%283%2C4%295%2Fh%28H3%2C2%2C3%2C4%2C5%29%2Fp-3,4.0,0.0,5.0,20.0,2.3652,1.0,0.0,0.0,138.917995452881,2.0,0.0,86.25,4.0,3.0,1.0,5.0,2.0,0.0,-0.856,4.0 +InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H,7.0,0.0,5.14285714285714,30.0,28.1068,2.34375,6.0,1.5,88.0649976730347,4.0,0.0,20.23,7.0,1.0,3.0,7.0,1.0,0.0,1.3922,1.0 +InChI%3D1S%2FCBrN%2Fc2-1-3,2.0,0.0,3.0,6.0,14.54,2.0,0.0,0.0,105.921998977661,2.0,1.0,23.79,2.0,0.0,1.0,3.0,1.0,0.0,0.86238,1.0 +InChI%3D1S%2FC18H13ClF3NO7%2Fc1-2-28-16%2824%299-29-17%2825%2912-8-11%284-5-14%2812%2923%2826%2927%2930-15-6-3-10%287-13%2815%2919%2918%2820%2C21%2922%2Fh3-8H%2C2%2C9H2%2C1H3,31.0,0.32258064516129,26.2539021852237,150.0,98.7075,11.7438016528926,12.0,7.82840236686391,434.644988059998,16.0,4.0,107.65,31.0,0.0,15.0,30.0,7.0,10.0,5.3024,5.0 +InChI%3D1S%2FC20H19NO3%2Fc1-16%2823-20-9-5-6-14-21-20%2915-22-17-10-12-19%2813-11-17%2924-18-7-3-2-4-8-18%2Fh2-14%2C16H%2C15H2%2C1H3,26.0,0.269230769230769,18.7810650887574,118.0,92.78,10.2222222222222,18.0,6.68244575936884,302.223992347717,16.0,0.0,40.58,26.0,0.0,15.0,24.0,4.0,7.0,4.7202,4.0 +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%2C1H3,24.0,0.375,19.3263888888889,108.0,87.194,10.78,12.0,6.42804967129291,292.204992294312,14.0,0.0,52.6,24.0,0.0,13.0,23.0,4.0,9.0,4.0005,4.0 +InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,8.0,0.125,6.125,34.0,35.82,3.11111111111111,6.0,1.8,96.0879974365234,5.0,0.0,0.0,8.0,0.0,4.0,8.0,0.0,1.0,2.249,0.0 +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%2C1H3,24.0,0.0,19.3263888888889,112.0,86.6789,9.474609375,6.0,6.09418282548476,296.192992210388,10.0,0.0,86.99,24.0,3.0,9.0,23.0,5.0,0.0,3.2908,5.0 +InChI%3D1S%2FC19H23N3%2Fc1-14-6-8-18%2816%283%2910-14%2920-12-22%285%2913-21-19-9-7-15%282%2911-17%2819%294%2Fh6-13H%2C1-5H3,23.0,0.173913043478261,18.3402646502836,108.0,95.899,8.74089490114464,12.0,5.8641975308642,270.22999382019,14.0,0.0,27.96,23.0,0.0,13.0,22.0,3.0,4.0,4.8718,3.0 +InChI%3D1S%2FC15H14Cl2F3N3O3%2Fc1-3-26-13%2824%2910%2817%294-8-5-12%2811%2818%296-9%288%2916%2923-15%2825%2922%2814%2819%2920%297%282%2921-23%2Fh5-6%2C10%2C14H%2C3-4H2%2C1-2H3,27.0,0.259259259259259,22.2908093278464,132.0,88.76,9.46745562130178,11.0,5.09342560553633,398.082989692688,13.0,5.0,66.12,27.0,0.0,12.0,26.0,4.0,7.0,3.243,6.0 +InChI%3D1S%2FC24H27N3O4%2Fc1-17-21%2822%2827%285%2926-17%2930-20-9-7-6-8-10-20%2915-25-29-16-18-11-13-19%2814-12-18%2923%2828%2931-24%282%2C3%294%2Fh6-15H%2C16H2%2C1-5H3,33.0,0.272727272727273,25.6198347107438,158.0,118.4545,11.9234404536862,17.0,8.06584362139918,394.280990600586,18.0,0.0,74.94,33.0,0.0,17.0,31.0,6.0,9.0,5.02680000000001,7.0 +InChI%3D1S%2FC11H13F3N2O3S%2Fc1-6-4-7%282%2910%285-9%286%2915-8%283%2917%2916-20%2818%2C19%2911%2812%2C13%2914%2Fh4-5%2C16H%2C1-3H3%2C%28H%2C15%2C17%29,20.0,0.2,18.05,102.0,69.9555,6.40582726326743,6.0,4.76470588235294,297.192994117737,9.0,3.0,87.14,20.0,2.0,8.0,20.0,5.0,4.0,4.2536,5.0 +InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3,6.0,0.166666666666667,7.0,28.0,29.7478,2.34375,0.0,2.66666666666667,88.0649976730347,4.0,0.0,20.23,6.0,1.0,3.0,7.0,1.0,1.0,0.7806,1.0 +InChI%3D1S%2FC8H14N4OS%2Fc1-8%282%2C3%295-6%2813%2912%289%297%2814-4%2911-10-5%2Fh9H2%2C1-4H3,14.0,0.142857142857143,12.0714285714286,70.0,56.9234,4.24489795918367,6.0,2.5344,200.181998252869,7.0,0.0,99.1,14.0,0.0,6.0,14.0,5.0,2.0,0.3715,6.0 +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,24.0,0.0416666666666667,16.84375,120.0,76.244,6.48148148148148,17.0,3.16534777176177,292.157992362976,10.0,0.0,131.36,24.0,5.0,9.0,22.0,6.0,1.0,1.988,7.0 +InChI%3D1S%2FC8H7N3O5%2Fc1-4-6%288%289%2912%292-5%2810%2813%2914%293-7%284%2911%2815%2916%2Fh2-3H%2C1H3%2C%28H2%2C9%2C12%29,16.0,0.1875,14.0625,78.0,58.2805,5.55765595463138,6.0,3.25,218.103995323181,6.0,0.0,135.72,16.0,2.0,5.0,16.0,6.0,3.0,2.7412,2.0 +InChI%3D1S%2FC10H23O2PS2%2Fc1-6-9%284%2914-13%2811%2C12-8-3%2915-10%285%297-2%2Fh9-10H%2C6-8H2%2C1-5H3,14.0,0.571428571428571,15.0,64.0,73.9205,7.30246913580247,0.0,6.22222222222222,247.215999603271,8.0,0.0,86.71,14.0,0.0,7.0,15.0,4.0,8.0,5.1944,4.0 +InChI%3D1S%2FC16H12N2O4S%2Fc19-15-9-6-11-10-13%2823%2820%2C21%2922%297-8-14%2811%2916%2815%2918-17-12-4-2-1-3-5-12%2Fh1-10%2C19H%2C%28H%2C20%2C21%2C22%29,25.0,0.12,17.8112,122.0,84.2382,7.48611111111111,17.0,4.34567901234568,316.252994537354,12.0,0.0,110.53,25.0,2.0,11.0,23.0,5.0,3.0,4.9457,6.0 +InChI%3D1S%2FC5H12NO3PS2%2Fc1-6-5%287%294-12-10%2811%2C8-2%299-3%2Fh4H2%2C1-3H3%2C%28H%2C6%2C7%29,11.0,0.454545454545455,12.0,50.0,56.9748,5.61224489795918,0.0,4.59183673469388,217.167000770569,7.0,0.0,118.25,11.0,1.0,6.0,12.0,6.0,5.0,2.4738,6.0 +InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,6.0,0.0,4.16666666666667,26.0,23.9281,1.63265306122449,0.0,0.979591836734694,96.1140003204346,3.0,0.0,63.19,6.0,2.0,2.0,6.0,3.0,0.0,-0.3602,3.0 +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%29,15.0,0.4,13.0666666666667,66.0,60.9252,7.30246913580247,6.0,6.22222222222222,190.144996643066,10.0,0.0,97.78,15.0,4.0,9.0,15.0,5.0,6.0,0.2366,5.0 +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%2C1-4H3,25.0,0.76,26.0,106.0,106.998,18.3673469387755,0.0,15.7526753864447,328.237991333008,19.0,0.0,52.6,25.0,0.0,18.0,26.0,4.0,19.0,6.06600000000001,4.0 +InChI%3D1S%2FC6Cl5NO2%2Fc7-1-2%288%294%2810%296%2812%2813%2914%295%2811%293%281%299,14.0,0.0714285714285714,12.0714285714286,70.0,60.314,4.24489795918367,6.0,2.02040816326531,295.33599281311,6.0,5.0,45.82,14.0,0.0,5.0,14.0,2.0,1.0,5.385,0.0 +InChI%3D1S%2FC15H13N3O2S%2Fc1-20-15%2819%2918-14-16-12-8-7-11%289-13%2812%2917-14%2921-10-5-3-2-4-6-10%2Fh2-9H%2C1H3%2C%28H2%2C16%2C17%2C18%2C19%29,23.0,0.173913043478261,15.8790170132325,108.0,83.3915,7.51300728407908,16.0,4.2603550295858,286.250995635986,13.0,0.0,95.8,23.0,2.0,12.0,21.0,5.0,4.0,3.906,5.0 +InChI%3D1S%2FC10H7Cl5O%2Fc11-7-1-6%282-8%2812%293-7%299%285-16-9%294-10%2813%2C14%2915%2Fh1-3H%2C4-5H2,17.0,0.176470588235294,12.4567474048443,88.0,68.999,4.03292181069959,6.0,2.65140478668054,313.373991966248,7.0,5.0,12.53,17.0,0.0,6.0,16.0,1.0,3.0,4.9792,1.0 +InChI%3D1S%2FC13H22NO3PS%2Fc1-6-16-18%2815%2C14-10%282%293%2917-12-7-8-13%2819-5%2911%284%299-12%2Fh7-10H%2C6H2%2C1-5H3%2C%28H%2C14%2C15%29,19.0,0.368421052631579,17.0526315789474,90.0,81.0922,7.69526627218935,6.0,5.47919143876338,281.187996864319,10.0,0.0,82.67,19.0,1.0,9.0,19.0,5.0,7.0,4.2383,5.0 +InChI%3D1S%2FC26H22ClF3N2O3%2Fc1-16%282%2924%2832-22-12-11-18%2814-21%2822%2927%2926%2828%2C29%2930%2925%2833%2935-23%2815-31%2917-7-6-10-20%2813-17%2934-19-8-4-3-5-9-19%2Fh3-14%2C16%2C23-24%2C32H%2C1-2H3,37.0,0.27027027027027,29.554419284149,178.0,126.1067,13.6930473372781,18.0,8.77198286722096,480.743987083435,18.0,4.0,71.35,37.0,1.0,17.0,35.0,5.0,10.0,7.39568000000001,5.0 +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%2C1-4H3,27.0,0.259259259259259,19.7530864197531,132.0,97.944,8.34714003944773,11.0,4.6464,312.238991737366,15.0,0.0,39.44,27.0,0.0,14.0,25.0,2.0,7.0,5.152,3.0 +InChI%3D1S%2FC15H13N3O3S%2Fc1-21-15%2819%2918-14-16-12-8-7-11%289-13%2812%2917-14%2922%2820%2910-5-3-2-4-6-10%2Fh2-9H%2C1H3%2C%28H2%2C16%2C17%2C18%2C19%29,24.0,0.166666666666667,16.84375,114.0,84.078,7.71349862258953,16.0,4.11032990805841,302.249995231628,13.0,0.0,106.78,24.0,2.0,12.0,22.0,5.0,4.0,3.7872,5.0 +InChI%3D1S%2FC10H10ClNO2%2Fc1-7%2813%2912-9-4-2-8%283-5-9%2910%2814%296-11%2Fh2-5H%2C6H2%2C1H3%2C%28H%2C12%2C13%29,14.0,0.214285714285714,12.0714285714286,64.0,56.8903,5.77777777777778,6.0,3.96,201.567995071411,9.0,1.0,49.66,14.0,1.0,8.0,14.0,3.0,3.0,2.716,3.0 +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%29,14.0,0.142857142857143,12.0714285714286,66.0,59.8728,5.18559556786704,6.0,3.59183673469388,223.017994880676,8.0,2.0,35.83,14.0,1.0,7.0,14.0,3.0,2.0,3.1005,3.0 +InChI%3D1S%2FC14H15N3%2Fc1-10-9-13%2811-7-8-11%2917-14%2815-10%2916-12-5-3-2-4-6-12%2Fh2-6%2C9%2C11H%2C7-8H2%2C1H3%2C%28H%2C15%2C16%2C17%29,19.0,0.157894736842105,12.0554016620499,90.0,68.4687,5.32544378698225,12.0,2.87970615243343,210.174995422363,9.0,0.0,37.81,19.0,1.0,8.0,17.0,3.0,3.0,3.406,2.0 +InChI%3D1S%2FC14H20ClNO2%2Fc1-4-12-8-6-7-11%283%2914%2812%2916%2810-18-5-2%2913%2817%299-15%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3,18.0,0.388888888888889,16.0555555555556,82.0,75.256,8.22684310018904,6.0,4.26666666666667,249.611993789673,8.0,1.0,29.54,18.0,0.0,7.0,18.0,3.0,7.0,3.1232,3.0 +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%29,14.0,0.214285714285714,12.0714285714286,64.0,57.4212,5.77777777777778,6.0,3.96,180.121995925903,9.0,0.0,67.84,14.0,1.0,8.0,14.0,4.0,3.0,2.2754,4.0 +InChI%3D1S%2FC3H4Cl2O2%2Fc1-3%284%2C5%292%286%297%2Fh1H3%2C%28H%2C6%2C7%29,6.0,0.166666666666667,7.0,30.0,25.8045,1.85185185185185,0.0,2.66666666666667,138.936996459961,3.0,2.0,40.13,6.0,1.0,2.0,7.0,1.0,1.0,-0.0699000000000001,2.0 +InChI%3D1S%2FC12H14Cl3O4P%2Fc1-3-17-20%2816%2C18-4-2%2919-12%288-13%2910-6-5-9%2814%297-11%2810%2915%2Fh5-8H%2C3-4H2%2C1-2H3,20.0,0.35,18.05,94.0,82.2355,8.44444444444444,6.0,5.37890625,345.46099281311,10.0,3.0,54.57,20.0,0.0,9.0,20.0,4.0,7.0,5.7283,4.0 +InChI%3D1S%2FC12H13N5O6S2%2Fc1-6-13-10%2816-12%2814-6%2923-3%2915-11%2819%2917-25%2820%2C21%297-4-5-24-8%287%299%2818%2922-2%2Fh4-5H%2C1-3H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%2C19%29,26.0,0.230769230769231,21.301775147929,126.0,86.187,9.27392257121987,11.0,5.7362962962963,374.294996261597,13.0,0.0,192.81,26.0,2.0,12.0,25.0,10.0,6.0,1.2542,11.0 +InChI%3D1S%2FC14H18N2O5%2Fc1-21-14%2820%2911%287-9-5-3-2-4-6-9%2916-13%2819%2910%2815%298-12%2817%2918%2Fh2-6%2C10-11H%2C7-8%2C15H2%2C1H3%2C%28H%2C16%2C19%29%28H%2C17%2C18%29,21.0,0.380952380952381,19.047619047619,96.0,75.1344,9.9039780521262,6.0,7.2,276.162993431091,11.0,0.0,126.66,21.0,2.0,10.0,21.0,5.0,8.0,-1.5223,6.0 +InChI%3D1S%2FC10H22O3%2Fc1-4-5-6-12-8-10%283%2913-7-9%282%2911%2Fh9-11H%2C4-8H2%2C1-3H3,12.0,0.666666666666667,13.0,50.0,52.8218,8.59171597633136,0.0,9.91735537190083,168.106995582581,10.0,0.0,38.69,12.0,1.0,9.0,13.0,3.0,8.0,1.589,3.0 +InChI%3D1S%2FC36H53NO13%2Fc1-21-13-11-9-7-6-8-10-12-14-24%2848-35%285%2931%2842%2929%2837%2930%2841%2922%282%2947-35%2919-34%284%2928%2832%2843%2944%2925%2839%2920-36%2845%2C50-34%2918-23%2838%2917-33%283%2926%2849-33%2915-16-27%2840%2946-21%2Fh6-12%2C14-16%2C21-26%2C28-31%2C38-39%2C41-42%2C45H%2C13%2C17-20%2C37H2%2C1-5H3%2C%28H%2C43%2C44%29,53.0,0.0566037735849057,42.7376290494838,266.0,177.9026,17.64,0.0,10.8288,654.389983177185,19.0,0.0,235.44,53.0,6.0,18.0,50.0,12.0,3.0,-0.761499999999991,13.0 +InChI%3D1S%2FC31H52O3%2Fc1-21%282%2913-10-14-22%283%2915-11-16-23%284%2917-12-19-31%289%2920-18-28-26%287%2929%2833-27%288%2932%2924%285%2925%286%2930%2828%2934-31%2Fh21-23H%2C10-20H2%2C1-9H3,35.0,0.4,30.225306122449,168.0,144.035,14.0741357767597,6.0,9.43638525564804,420.337988853455,21.0,0.0,35.53,35.0,0.0,20.0,34.0,3.0,14.0,9.0599,3.0 +InChI%3D1S%2FC9H17ClN3O3PS%2Fc1-5-14-17%2818%2C15-6-2%2916-9-11-8%2810%2913%2812-9%297%283%294%2Fh7H%2C5-6H2%2C1-4H3,18.0,0.388888888888889,16.0555555555556,86.0,73.808,6.9632,5.0,4.56599286563615,296.610997200012,9.0,1.0,100.3,18.0,0.0,8.0,18.0,6.0,7.0,3.8393,7.0 +InChI%3D1S%2FC8H4O3%2Fc9-7-5-3-1-2-4-6%285%298%2810%2911-7%2Fh1-4H,12.0,0.0,7.63888888888889,58.0,36.188,2.80276816608997,6.0,1.20982986767486,144.08499622345,5.0,0.0,43.37,12.0,0.0,4.0,11.0,3.0,0.0,0.9972,3.0 +InChI%3D1S%2FC9H5Cl3N4%2Fc10-5-3-1-2-4-6%285%2913-9-15-7%2811%2914-8%2812%2916-9%2Fh1-4H%2C%28H%2C13%2C14%2C15%2C16%29,17.0,0.0588235294117647,12.4567474048443,80.0,63.0777,5.55765595463138,12.0,3.49519890260631,270.485994338989,8.0,3.0,53.93,17.0,1.0,7.0,16.0,3.0,1.0,2.9973,3.0 +InChI%3D1S%2FC15H18ClN3O%2Fc1-15%282%2C3%2914%2820%2913%2819-10-17-9-18-19%298-11-4-6-12%2816%297-5-11%2Fh4-10%2C14%2C20H%2C1-3H3,21.0,0.19047619047619,16.3718820861678,102.0,81.1028,6.84,11.0,4.49632653061224,273.637993812561,9.0,1.0,50.94,21.0,1.0,8.0,20.0,3.0,4.0,3.3366,4.0 +InChI%3D1S%2FC11H15NO2%2Fc1-7-5-8%282%299%283%2910%286-7%2914-11%2813%2912-4%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,14.0,0.142857142857143,12.0714285714286,66.0,57.2688,5.18559556786704,6.0,3.27272727272727,178.125995635986,7.0,0.0,41.82,14.0,1.0,6.0,14.0,3.0,2.0,2.5344,3.0 +InChI%3D1S%2FC42H70O35%2Fc43-1-8-29-15%2850%2922%2857%2936%2864-8%2972-30-9%282-44%2966-38%2824%2859%2917%2830%2952%2974-32-11%284-46%2968-40%2826%2861%2919%2832%2954%2976-34-13%286-48%2970-42%2828%2863%2921%2834%2956%2977-35-14%287-49%2969-41%2827%2862%2920%2835%2955%2975-33-12%285-47%2967-39%2825%2860%2918%2833%2953%2973-31-10%283-45%2965-37%2871-29%2923%2858%2916%2831%2951%2Fh8-63H%2C1-7H2,84.0,0.0833333333333333,63.031746031746,420.0,228.4338,26.9274376417234,0.0,12.5641830696776,1064.42697238922,19.0,0.0,554.05,84.0,21.0,18.0,77.0,35.0,7.0,-15.2306,35.0 +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%2C1-2H3,32.0,0.25,24.638671875,150.0,116.435,12.2963764196863,18.0,7.25925925925926,397.731989860535,16.0,1.0,59.32,32.0,0.0,15.0,30.0,4.0,8.0,6.67998,4.0 +InChI%3D1S%2FC2H6ClO3P%2Fc3-1-2-7%284%2C5%296%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,6.0,0.333333333333333,7.0,28.0,24.5665,2.34375,0.0,6.0,138.445998191833,4.0,1.0,73.0,6.0,2.0,3.0,7.0,1.0,2.0,1.2793,3.0 +InChI%3D1S%2FC12H19O2PS3%2Fc1-4-10-18-15%2816%2C13-5-2%2914-11-6-8-12%2817-3%299-7-11%2Fh6-9H%2C4-5%2C10H2%2C1-3H3,18.0,0.444444444444444,16.0555555555556,82.0,87.737,8.22684310018904,6.0,5.68047337278106,303.305000305176,11.0,0.0,110.96,18.0,0.0,10.0,18.0,5.0,8.0,5.8421,5.0 +InChI%3D1S%2FC3H8NO5P%2Fc5-3%286%291-4-2-10%287%2C8%299%2Fh4H%2C1-2H2%2C%28H%2C5%2C6%29%28H2%2C7%2C8%2C9%29,9.0,0.444444444444444,10.0,42.0,28.4664,4.0,0.0,9.14285714285714,161.008997917175,6.0,0.0,129.74,9.0,3.0,5.0,10.0,2.0,4.0,-2.6887,5.0 +InChI%3D1S%2FC10H14O2%2Fc1-10%282%2C3%298-6-7%2811%294-5-9%288%2912%2Fh4-6%2C11-12H%2C1-3H3,12.0,0.0833333333333333,10.0833333333333,60.0,48.4716,3.39506172839506,6.0,2.49307479224377,152.107995986938,5.0,0.0,40.46,12.0,2.0,4.0,12.0,2.0,1.0,2.3953,2.0 +InChI%3D1S%2FC6H7N3O2%2Fc7-4-1-2-5%288%296%283-4%299%2810%2911%2Fh1-3H%2C7-8H2,11.0,0.0909090909090909,9.09090909090909,52.0,44.0888,3.6,6.0,2.21453287197232,146.084997177124,5.0,0.0,97.86,11.0,0.0,4.0,11.0,4.0,1.0,1.2824,2.0 +InChI%3D1S%2FC12H8Cl2O3S%2Fc13-9-1-5-11%286-2-9%2917-18%2815%2C16%2912-7-3-10%2814%294-8-12%2Fh1-8H,19.0,0.157894736842105,14.409972299169,92.0,70.762,5.96982167352538,12.0,3.99583766909469,295.101994514465,11.0,2.0,51.75,19.0,0.0,10.0,18.0,3.0,3.0,4.8419,3.0 +InChI%3D1S%2F3C6H5.Sn.H%2Fc3%2A1-2-4-6-5-3-1%3B%3B%2Fh3%2A1-5H%3B%3B,6.0,0.0,4.16666666666667,24.0,26.442,2.22222222222222,6.0,1.33333333333333,72.0659980773926,3.0,0.0,0.0,6.0,0.0,2.0,6.0,0.0,0.0,1.6866,0.0 +InChI%3D1S%2FC18H26O2%2Fc1-13%282%2918-10-9-17%284%2C20-18%2916%2811-18%2919-12-15-8-6-5-7-14%2815%293%2Fh5-8%2C13%2C16H%2C9-12H2%2C1-4H3,22.0,0.181818181818182,14.9173553719008,112.0,80.666,5.32525951557093,6.0,2.60302457466919,248.195993423462,10.0,0.0,18.46,22.0,0.0,9.0,20.0,2.0,4.0,4.2478,2.0 +InChI%3D1S%2FC6H12N2S4%2Fc1-7%282%295%289%2911-12-6%2810%298%283%294%2Fh1-4H3,11.0,0.454545454545455,12.0,50.0,67.752,5.61224489795918,0.0,5.32544378698225,228.348003387451,7.0,0.0,121.26,11.0,0.0,6.0,12.0,6.0,5.0,2.0608,6.0 +InChI%3D1S%2FC12H18N2O2%2Fc1-8-6-10%2816-12%2815%2913-3%297-9%282%2911%288%2914%284%295%2Fh6-7H%2C1-5H3%2C%28H%2C13%2C15%29,16.0,0.1875,14.0625,76.0,66.8588,6.07438016528926,6.0,3.76923076923077,204.143995285034,9.0,0.0,45.06,16.0,1.0,8.0,16.0,4.0,3.0,2.292,4.0 +InChI%3D1S%2FC7H6N2O4%2Fc8-6-3-4%289%2812%2913%291-2-5%286%297%2810%2911%2Fh1-3H%2C8H2%2C%28H%2C10%2C11%29,13.0,0.153846153846154,11.0769230769231,62.0,44.6934,4.48148148148148,6.0,2.72108843537415,176.086996078491,7.0,0.0,111.97,13.0,1.0,6.0,13.0,4.0,2.0,0.0637000000000001,3.0 +InChI%3D1S%2FC14H14Cl2N2O%2Fc1-2-7-19-14%289-18-6-5-17-10-18%2912-4-3-11%2815%298-13%2812%2916%2Fh2-6%2C8%2C10%2C14H%2C1%2C7%2C9H2,20.0,0.3,15.39,92.0,77.579,7.69526627218935,11.0,4.5,283.072993278503,9.0,2.0,27.05,20.0,0.0,8.0,19.0,2.0,6.0,4.1338,3.0 +InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,2.0,0.0,3.0,6.0,16.05,2.0,0.0,0.0,59.4749984741211,2.0,1.0,0.0,2.0,0.0,1.0,3.0,0.0,0.0,1.3687,0.0 +InChI%3D1S%2FC10H7NO2%2Fc12-11%2813%2910-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7H,14.0,0.0714285714285714,9.55102040816327,66.0,52.77,4.02216066481994,11.0,1.92,166.114995956421,6.0,0.0,45.82,14.0,0.0,5.0,13.0,2.0,1.0,3.2712,0.0 +InChI%3D1S%2FC9H8N4OS%2Fc14-9%2812-8-6-10-13-15-8%2911-7-4-2-1-3-5-7%2Fh1-6H%2C%28H2%2C11%2C12%2C14%29,16.0,0.1875,11.484375,72.0,59.6975,5.915,11.0,3.8109640831758,212.192997932434,9.0,0.0,98.64,16.0,2.0,8.0,15.0,5.0,3.0,2.1957,6.0 +InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,12.0,0.0,10.0833333333333,60.0,56.502,3.39506172839506,6.0,1.5625,284.783992767334,5.0,6.0,0.0,12.0,0.0,4.0,12.0,0.0,0.0,5.607,0.0 +InChI%3D1S%2FC15H12F4N4O7S%2Fc1-28-11%2824%297-4-2-3-5-8%287%2931%2826%2C27%2923-15%2825%2922-14-20-9%2829-12%2816%2917%296-10%2821-14%2930-13%2818%2919%2Fh2-6%2C12-13H%2C1H3%2C%28H2%2C20%2C21%2C22%2C23%2C25%29,32.0,0.3125,27.24609375,154.0,93.167,12.4592592592593,12.0,8.69822485207101,456.244990348816,14.0,4.0,157.68,32.0,2.0,13.0,31.0,11.0,10.0,3.0708,11.0 +InChI%3D1S%2FC23H19ClF3NO3%2Fc1-22%282%2917%2812-19%2824%2923%2825%2C26%2927%2920%2822%2921%2829%2931-18%2813-28%2914-7-6-10-16%2811-14%2930-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,33.0,0.242424242424242,25.6198347107438,164.0,108.156,10.5081216159933,12.0,6.11862643080125,430.703988075256,16.0,4.0,59.32,33.0,0.0,15.0,31.0,4.0,8.0,6.54398,4.0 +InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,8.0,0.0,6.125,36.0,36.462,2.52,6.0,1.8,142.971996307373,5.0,2.0,0.0,8.0,0.0,4.0,8.0,0.0,0.0,2.9934,0.0 +InChI%3D1S%2FC9H7Cl3O3%2Fc1-4%289%2813%2914%2915-8-3-6%2811%295%2810%292-7%288%2912%2Fh2-4H%2C1H3%2C%28H%2C13%2C14%29,15.0,0.2,13.0666666666667,72.0,57.2555,5.36507936507936,6.0,3.5,262.454993247986,8.0,3.0,49.36,15.0,1.0,7.0,15.0,2.0,3.0,2.164,3.0 +InChI%3D1S%2FC19H17ClN2O4%2Fc1-3-24-19%2823%2912%282%2925-14-5-7-15%288-6-14%2926-18-11-21-17-10-13%2820%294-9-16%2817%2922-18%2Fh4-12H%2C3H2%2C1-2H3,28.0,0.25,20.7270408163265,132.0,97.787,9.97229916897507,17.0,5.9972838388411,355.671991348267,17.0,1.0,70.54,28.0,0.0,16.0,26.0,6.0,7.0,4.4059,6.0 +InChI%3D1S%2FC6H13N%2Fc7-6-4-2-1-3-5-6%2Fh6H%2C1-5%2C7H2,7.0,0.0,5.14285714285714,30.0,31.8951,2.34375,0.0,1.5,86.072998046875,4.0,0.0,27.64,7.0,0.0,3.0,7.0,0.0,0.0,0.561,0.0 +InChI%3D1S%2FC7H10N2O4S%2Fc1-5-4-6%288%292-3-7%285%299-13-14%2810%2C11%2912%2Fh2-4%2C9H%2C8H2%2C1H3%2C%28H%2C10%2C11%2C12%29,14.0,0.214285714285714,12.0714285714286,68.0,50.0405,4.68,6.0,4.38781163434903,208.153997421265,8.0,0.0,112.86,14.0,2.0,7.0,14.0,5.0,3.0,1.4617,6.0 +InChI%3D1S%2FC10H10O4%2Fc1-13-9%2811%297-3-5-8%286-4-7%2910%2812%2914-2%2Fh3-6H%2C1-2H3,14.0,0.285714285714286,12.0714285714286,64.0,49.121,5.77777777777778,6.0,3.27272727272727,184.105995178223,9.0,0.0,52.6,14.0,0.0,8.0,14.0,4.0,4.0,1.2598,4.0 +InChI%3D1S%2FC15H10ClF3N2O6S%2Fc1-28%2825%2C26%2920-14%2822%2910-7-9%283-4-12%2810%2921%2823%2924%2927-13-5-2-8%286-11%2813%2916%2915%2817%2C18%2919%2Fh2-7H%2C1H3%2C%28H%2C20%2C22%29,29.0,0.206896551724138,24.2711058263971,146.0,95.8458,9.42768595041322,12.0,7.0387338608913,428.686990737915,13.0,4.0,130.16,29.0,1.0,12.0,28.0,7.0,6.0,5.9275,5.0 +InChI%3D1S%2FC25H28O3%2Fc1-4-27-22-15-13-21%2814-16-22%2925%282%2C3%2919-26-18-20-9-8-12-24%2817-20%2928-23-10-6-5-7-11-23%2Fh5-17H%2C4%2C18-19H2%2C1-3H3,30.0,0.3,22.68,140.0,113.251,11.4075,18.0,7.33506944444444,348.271990776062,18.0,0.0,27.69,30.0,0.0,17.0,28.0,3.0,9.0,6.37200000000001,3.0 +InChI%3D1S%2FC6H4Cl2N2O2%2Fc7-4-1-3%2810%2811%2912%292-5%288%296%284%299%2Fh1-2H%2C9H2,12.0,0.0833333333333333,10.0833333333333,58.0,49.6964,3.80622837370242,6.0,2.25,202.983995437622,6.0,2.0,71.84,12.0,0.0,5.0,12.0,3.0,1.0,3.007,1.0 +InChI%3D1S%2FC16H18N4O7S%2Fc1-25-12-8-13%2826-2%2918-15%2817-12%2919-16%2822%2920-28%2823%2C24%299-10-6-4-5-7-11%2810%2914%2821%2927-3%2Fh4-8H%2C9H2%2C1-3H3%2C%28H2%2C17%2C18%2C19%2C20%2C22%29,29.0,0.310344827586207,24.2711058263971,138.0,98.445,11.4075,12.0,7.65052059755546,392.263993263245,14.0,0.0,157.68,29.0,2.0,13.0,28.0,11.0,9.0,2.0263,11.0 +InChI%3D1S%2FCClN%2Fc2-1-3,2.0,0.0,3.0,6.0,11.466,2.0,0.0,0.0,61.4709987640381,2.0,1.0,23.79,2.0,0.0,1.0,3.0,1.0,0.0,0.70628,1.0 +InChI%3D1S%2FC15H12F2N3Si%2Fc16-12-1-5-14%286-2-12%2921%2811-20-10-18-9-19-20%2915-7-3-13%2817%294-8-15%2Fh1-10H%2C11H2,23.0,0.130434782608696,15.8790170132325,108.0,74.0632,7.51300728407908,11.0,4.2603550295858,288.267993927002,10.0,2.0,30.71,23.0,0.0,9.0,21.0,3.0,3.0,1.843,3.0 +InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,8.0,0.125,6.125,34.0,36.533,3.11111111111111,6.0,1.8,96.0879974365234,5.0,0.0,0.0,8.0,0.0,4.0,8.0,0.0,1.0,2.3296,0.0 +InChI%3D1S%2FC16H22ClNO3%2Fc1-4-12-8-7-9-13%285-2%2916%2812%2918%2814%2819%2910-17%2911-15%2820%2921-6-3%2Fh7-9H%2C4-6%2C10-11H2%2C1-3H3,21.0,0.428571428571429,19.047619047619,96.0,84.904,9.9039780521262,6.0,5.28979591836735,289.632992744446,9.0,1.0,46.61,21.0,0.0,8.0,21.0,4.0,9.0,2.9463,4.0 +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%29,19.0,0.263157894736842,14.409972299169,88.0,73.8415,6.9632,10.0,3.99583766909469,250.21799659729,12.0,0.0,95.8,19.0,2.0,11.0,18.0,5.0,5.0,3.2569,5.0 +InChI%3D1S%2FC9H10Cl2N2O2%2Fc1-13%2815-2%299%2814%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C1-2H3%2C%28H%2C12%2C14%29,15.0,0.2,13.0666666666667,70.0,60.9578,5.915,6.0,3.8109640831758,239.016994476318,9.0,2.0,45.06,15.0,1.0,8.0,15.0,4.0,3.0,3.0321,4.0 +InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3,11.0,0.0909090909090909,9.09090909090909,52.0,47.3498,3.6,0.0,2.21453287197232,136.108996391296,6.0,0.0,20.23,11.0,1.0,5.0,11.0,1.0,1.0,2.4395,1.0 +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%2C1-2H3,18.0,0.333333333333333,16.0555555555556,86.0,77.658,6.9632,6.0,4.56599286563615,339.502995491028,9.0,3.0,82.48,18.0,0.0,8.0,18.0,5.0,6.0,5.3687,5.0 +InChI%3D1S%2FC17H16F3NO2%2Fc1-11%282%2923-13-7-5-6-12%2810-13%2921-16%2822%2914-8-3-4-9-15%2814%2917%2818%2C19%2920%2Fh3-11H%2C1-2H3%2C%28H%2C21%2C22%29,24.0,0.208333333333333,19.3263888888889,116.0,82.4758,8.39273356401384,12.0,5.78566732412886,307.185991287231,11.0,3.0,41.82,24.0,1.0,10.0,23.0,3.0,5.0,5.1289,3.0 +InChI%3D1S%2FC14H9ClF2N2O2%2Fc15-8-4-6-9%287-5-8%2918-14%2821%2919-13%2820%2912-10%2816%292-1-3-11%2812%2917%2Fh1-7H%2C%28H2%2C18%2C19%2C20%2C21%29,22.0,0.181818181818182,17.3553719008264,104.0,75.9945,8.02222222222222,12.0,5.0,301.614992141724,12.0,3.0,61.69,22.0,2.0,11.0,21.0,4.0,4.0,4.1549,4.0 +InChI%3D1S%2FC10H19N5S%2Fc1-6-11-7-12-8%2815-10%282%2C3%294%2914-9%2813-7%2916-5%2Fh6H2%2C1-5H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29,16.0,0.25,14.0625,76.0,67.6434,6.07438016528926,6.0,5.26446280991736,222.21199798584,8.0,0.0,91.26,16.0,2.0,7.0,16.0,5.0,4.0,1.6576,5.0 +InChI%3D1S%2FC15H21NO4%2Fc1-10-7-6-8-11%282%2914%2810%2916%2813%2817%299-19-4%2912%283%2915%2818%2920-5%2Fh6-8%2C12H%2C9H2%2C1-5H3,20.0,0.35,18.05,94.0,76.756,8.44444444444444,6.0,4.49632653061224,258.167993545532,8.0,0.0,55.84,20.0,0.0,7.0,20.0,5.0,7.0,1.8443,5.0 +InChI%3D1S%2FC11H15N3O2%2Fc1-12-11%2815%2916-10-6-4-5-9%287-10%2913-8-14%282%293%2Fh4-8H%2C1-3H3%2C%28H%2C12%2C15%29,16.0,0.25,14.0625,72.0,64.8968,7.35,6.0,5.77777777777778,206.139995574951,10.0,0.0,57.42,16.0,1.0,9.0,16.0,5.0,4.0,1.8306,5.0 +InChI%3D1S%2FC12H19ClNO3P%2Fc1-12%282%2C3%299-6-7-11%2810%2813%298-9%2917-18%2815%2C14-4%2916-5%2Fh6-8H%2C1-5H3%2C%28H%2C14%2C15%29,18.0,0.277777777777778,16.0555555555556,90.0,74.4552,5.96982167352538,6.0,4.26666666666667,272.56299495697,9.0,1.0,57.37,18.0,1.0,8.0,18.0,4.0,5.0,3.9902,4.0 +InChI%3D1S%2FC19H17ClN4%2Fc20-18-8-6-16%287-9-18%2910-11-19%2812-21%2C13-24-15-22-14-23-24%2917-4-2-1-3-5-17%2Fh1-9%2C14-15H%2C10-11%2C13H2,26.0,0.230769230769231,18.7810650887574,122.0,93.528,9.08734693877551,17.0,5.01925925925926,319.689992904663,11.0,1.0,54.5,26.0,0.0,10.0,24.0,3.0,6.0,4.02588,4.0 +InChI%3D1S%2FC15H11ClF3NO4%2Fc1-8%2814%2821%2922%2923-10-2-4-11%285-3-10%2924-13-12%2816%296-9%287-20-13%2915%2817%2C18%2919%2Fh2-8H%2C1H3%2C%28H%2C21%2C22%29,25.0,0.24,20.3136,122.0,76.5485,8.5895061728395,12.0,6.0464009518144,350.614990234375,14.0,4.0,71.48,25.0,1.0,13.0,24.0,4.0,6.0,3.0633,5.0 +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%29,13.0,0.153846153846154,11.0769230769231,60.0,56.4768,5.0242214532872,6.0,3.32409972299169,209.010994911194,8.0,2.0,32.59,13.0,1.0,7.0,13.0,2.0,2.0,3.9914,2.0 +InChI%3D1S%2FC20H19F3N2O4%2Fc1-13%2814-8-6-9-16%2811-14%2920%2821%2C22%2923%2924-29-12-15-7-4-5-10-17%2815%2918%2825-28-3%2919%2826%2927-2%2Fh4-11H%2C12H2%2C1-3H3,30.0,0.3,25.2622222222222,142.0,100.448,12.1427721594289,12.0,7.5712,389.223989486694,14.0,3.0,69.48,30.0,0.0,13.0,29.0,6.0,9.0,4.1697,6.0 +InChI%3D1S%2FC11H19N3O%2Fc1-4-6-7-9-8%283%2913-11%2812-5-2%2914-10%289%2915%2Fh4-7H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%29,15.0,0.266666666666667,13.0666666666667,68.0,59.7055,6.55401662049861,6.0,3.8109640831758,190.140995979309,10.0,0.0,61.27,15.0,2.0,9.0,15.0,3.0,4.0,1.6869,3.0 +InChI%3D1S%2FC9H22O4P2S4%2Fc1-5-10-14%2816%2C11-6-2%2918-9-19-15%2817%2C12-7-3%2913-8-4%2Fh5-9H2%2C1-4H3,18.0,0.666666666666667,19.0,82.0,95.575,9.8336483931947,0.0,8.0,362.311002731323,10.0,0.0,171.32,18.0,0.0,9.0,19.0,8.0,12.0,6.3065,8.0 +InChI%3D1S%2FC10H16Cl3NOS%2Fc1-6%282%2914%287%283%294%2910%2815%2916-5-8%2811%299%2812%2913%2Fh6-7H%2C5H2%2C1-4H3,15.0,0.4,16.0,70.0,74.55,7.35,0.0,5.77777777777778,288.541995048523,8.0,3.0,45.61,15.0,0.0,7.0,16.0,3.0,6.0,4.8439,3.0 +InChI%3D1S%2FC14H8Cl2N4%2Fc15-11-7-3-1-5-9%2811%2913-17-19-14%2820-18-13%2910-6-2-4-8-12%2810%2916%2Fh1-8H,22.0,0.0909090909090909,14.9173553719008,104.0,78.514,6.84,18.0,3.4425,295.087993621826,11.0,2.0,51.56,22.0,0.0,10.0,20.0,4.0,2.0,3.9074,4.0 +InChI%3D1S%2FC12H18N4O6S%2Fc1-7%282%2914%288%283%294%2912-10%2815%2817%2918%295-9%2823%2813%2C21%2922%296-11%2812%2916%2819%2920%2Fh5-8H%2C1-4H3%2C%28H2%2C13%2C21%2C22%29,23.0,0.260869565217391,21.0434782608696,116.0,88.2544,7.92,6.0,4.98866213151927,328.220994949341,8.0,0.0,163.42,23.0,0.0,7.0,23.0,8.0,6.0,3.9008,4.0 +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%2C1-2H3,28.0,0.25,20.7270408163265,136.0,103.304,9.0,12.0,5.09342560553633,371.133990287781,15.0,2.0,35.53,28.0,0.0,14.0,26.0,3.0,7.0,6.1133,3.0 +InChI%3D1S%2FC16H22ClN3O%2Fc1-15%282%2C3%2916%2821%2C10-20-12-18-11-19-20%299-8-13-4-6-14%2817%297-5-13%2Fh4-7%2C11-12%2C21H%2C8-10H2%2C1-3H3,22.0,0.272727272727273,17.3553719008264,108.0,84.1998,7.05078125,11.0,4.73338203067933,285.648993492126,11.0,1.0,50.94,22.0,1.0,10.0,21.0,3.0,6.0,3.3415,4.0 +InChI%3D1S%2FC12H11Cl2N3O2%2Fc13-9-1-2-10%2811%2814%295-9%2912%2818-3-4-19-12%296-17-8-15-7-16-17%2Fh1-2%2C5%2C7-8H%2C3-4%2C6H2,21.0,0.142857142857143,13.9591836734694,102.0,70.066,5.78,11.0,2.88,289.056993484497,9.0,2.0,49.17,21.0,0.0,8.0,19.0,4.0,3.0,2.4847,5.0 +InChI%3D1S%2FC18H16N2O8S2.2Na%2Fc1-10-7-14%2816%2828-2%299-17%2810%2930%2825%2C26%2927%2919-20-18-13-5-4-12%2829%2822%2C23%2924%298-11%2813%293-6-15%2818%2921%3B%3B%2Fh3-9%2C19H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29%3B%3B%2Fq%3B2%2A%2B1%2Fp-2,32.0,0.15625,24.638671875,162.0,104.3885,9.46938775510204,12.0,5.68879333512497,436.337993621826,14.0,0.0,181.85,32.0,3.0,13.0,30.0,8.0,5.0,3.3855,10.0 +InChI%3D1S%2FC9H12NO5PS%2Fc1-7-6-8%284-5-9%287%2910%2811%2912%2915-16%2817%2C13-2%2914-3%2Fh4-6H%2C1-3H3,17.0,0.294117647058824,15.0588235294118,82.0,69.158,6.25,6.0,4.0,265.141997337341,9.0,0.0,115.41,17.0,0.0,8.0,17.0,6.0,5.0,3.9731,4.0 +InChI%3D1S%2FC11H21NOS%2Fc1-3-12%2811%2813%2914-4-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3,14.0,0.357142857142857,12.0714285714286,62.0,62.781,6.47750865051903,0.0,3.59183673469388,194.193997383118,8.0,0.0,45.61,14.0,0.0,7.0,14.0,3.0,5.0,3.5141,3.0 +InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,3.0,0.0,4.0,12.0,24.421,1.33333333333333,0.0,0.0,162.820997238159,2.0,3.0,0.0,3.0,0.0,1.0,4.0,0.0,0.0,2.1425,0.0 +InChI%3D1S%2FC6H3Cl4N%2Fc7-5-3-1-2-4%2811-5%296%288%2C9%2910%2Fh1-3H,11.0,0.0909090909090909,9.09090909090909,54.0,48.484,3.1640625,6.0,2.5,227.884994506836,5.0,4.0,12.89,11.0,0.0,4.0,11.0,1.0,1.0,3.5617,1.0 +InChI%3D1S%2FC10H18N4O4S3%2Fc1-7%2819-5%2911-17-9%2815%2913%283%2921-14%284%2910%2816%2918-12-8%282%2920-6%2Fh1-6H3,20.0,0.5,21.0,90.0,89.327,11.552,0.0,9.58579881656805,336.334999084473,14.0,0.0,159.7,20.0,0.0,13.0,21.0,11.0,10.0,3.0792,11.0 +InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-4-2-3-5-7%286%299%2Fh2-5%2C9H%2C1H3,11.0,0.181818181818182,9.09090909090909,50.0,39.4463,4.13265306122449,6.0,2.21453287197232,144.08499622345,6.0,0.0,46.53,11.0,1.0,5.0,11.0,3.0,2.0,1.1788,3.0 +InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,3.0,0.0,4.0,12.0,21.347,1.33333333333333,0.0,0.0,118.369997024536,2.0,3.0,0.0,3.0,0.0,1.0,4.0,0.0,0.0,1.9864,0.0 +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%29,20.0,0.15,15.39,98.0,73.2131,6.18549346016647,12.0,4.23140495867769,264.224996566772,10.0,0.0,106.35,20.0,1.0,9.0,19.0,6.0,3.0,2.5572,6.0 +InChI%3D1S%2FC15H16F5NO2S2%2Fc1-6%282%295-7-8%2813%2822%2924-3%2910%2812%2816%2917%2921-11%2815%2818%2C19%2920%299%287%2914%2823%2925-4%2Fh6%2C12H%2C5H2%2C1-4H3,25.0,0.32,23.04,124.0,88.429,9.27392257121987,6.0,5.48960302457467,385.293992996216,8.0,5.0,97.63,25.0,0.0,7.0,25.0,5.0,8.0,5.2429,5.0 +InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,12.0,0.0,10.0833333333333,60.0,57.846,3.39506172839506,0.0,1.5625,284.783992767334,5.0,6.0,0.0,12.0,0.0,4.0,12.0,0.0,0.0,3.6444,0.0 +InChI%3D1S%2FC17H21ClN2O2S%2Fc1-11-15%2812-7-9-13%2818%2910-8-12%2923-17%2822%2920%2811%2916%2821%2919-14-5-3-2-4-6-14%2Fh7-11%2C14-15H%2C2-6H2%2C1H3%2C%28H%2C19%2C21%29,25.0,0.12,17.8112,120.0,93.198,7.92,6.0,4.15879017013232,331.718994140625,13.0,1.0,78.2,25.0,1.0,12.0,23.0,5.0,3.0,5.123,5.0 +InChI%3D1S%2FC7H10N4O3%2Fc1-3-9-7%2813%2910-6%2812%295%284-8%2911-14-2%2Fh3H2%2C1-2H3%2C%28H2%2C9%2C10%2C12%2C13%29,13.0,0.307692307692308,14.0,56.0,50.7256,8.32,0.0,6.1875,188.101996421814,9.0,0.0,110.56,13.0,2.0,8.0,14.0,7.0,4.0,0.40278,7.0 +InChI%3D1S%2FC15H16O2%2Fc1-15%282%2C11-3-7-13%2816%298-4-11%2912-5-9-14%2817%2910-6-12%2Fh3-10%2C16-17H%2C1-2H3,18.0,0.111111111111111,13.4320987654321,88.0,68.3416,5.32544378698225,12.0,3.0625,212.162994384766,10.0,0.0,40.46,18.0,2.0,9.0,17.0,2.0,2.0,3.4237,2.0 +InChI%3D1S%2FC9H16ClN5%2Fc1-5%282%2911-8-13-7%2810%2914-9%2815-8%2912-6%283%294%2Fh5-6H%2C1-4H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29,15.0,0.133333333333333,13.0666666666667,70.0,59.3464,5.915,6.0,5.04,213.586996078491,8.0,1.0,69.19,15.0,2.0,7.0,15.0,3.0,2.0,1.0094,3.0 +InChI%3D1S%2FC22H19Br2NO3%2Fc1-22%282%2917%2812-19%2823%2924%2920%2822%2921%2826%2928-18%2813-25%2914-7-6-10-16%2811-14%2927-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,30.0,0.233333333333333,22.68,146.0,114.102,9.87128177393186,12.0,5.3890306122449,486.053990364075,15.0,2.0,59.32,30.0,0.0,14.0,28.0,4.0,7.0,6.49018,4.0 +InChI%3D1S%2FC13H17F3N4O4%2Fc1-3-5-18%286-4-2%2911-9%2819%2821%2922%297-8%2813%2814%2C15%2916%2910%2817%2912%2811%2920%2823%2924%2Fh7H%2C3-6%2C17H2%2C1-2H3,24.0,0.333333333333333,22.0416666666667,118.0,86.2954,9.08734693877551,6.0,5.25,333.160991668701,9.0,3.0,120.9,24.0,0.0,8.0,24.0,6.0,8.0,4.7768,2.0 +InChI%3D1S%2FC11H12NO4PS2%2Fc1-15-17%2818%2C16-2%2919-7-12-10%2813%298-5-3-4-6-9%288%2911%2812%2914%2Fh3-6H%2C7H2%2C1-2H3,20.0,0.25,15.39,98.0,75.7092,6.18549346016647,6.0,3.02958579881657,305.231998443604,9.0,0.0,123.04,20.0,0.0,8.0,19.0,7.0,5.0,3.0791,7.0 +InChI%3D1S%2FC6H7NO%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4%2C8H%2C7H2,8.0,0.0,6.125,36.0,32.5192,2.52,6.0,1.8,102.071997642517,5.0,0.0,46.25,8.0,1.0,4.0,8.0,2.0,0.0,0.9744,2.0 +InChI%3D1S%2FC11H10ClNO3S%2Fc1-2-16-9%2814%296-13-10-7%2812%294-3-5-8%2810%2917-11%2813%2915%2Fh3-5H%2C2%2C6H2%2C1H3,18.0,0.222222222222222,13.4320987654321,86.0,67.728,5.76,10.0,2.87970615243343,261.644995689392,9.0,1.0,76.54,18.0,0.0,8.0,17.0,3.0,4.0,2.2795,5.0 +InChI%3D1S%2FC14H18N2O4%2Fc1-10-5-4-6-11%282%2913%2810%2916%2812%2817%299-19-3%2915-7-8-20-14%2815%2918%2Fh4-6H%2C7-9H2%2C1-3H3,21.0,0.238095238095238,16.3718820861678,100.0,71.1122,7.31985731272295,6.0,3.62130177514793,260.163993835449,8.0,0.0,59.08,21.0,0.0,7.0,20.0,6.0,5.0,1.5879,6.0 +InChI%3D1S%2FC14H17Cl2NO2%2Fc1-14%287-3-2-4-8-14%2913%2819%2917-9-5-6-10%2818%2912%2816%2911%289%2915%2Fh5-6%2C18H%2C2-4%2C7-8H2%2C1H3%2C%28H%2C17%2C19%29,20.0,0.1,15.39,98.0,79.0426,6.18549346016647,6.0,3.36596055514974,285.064992904663,10.0,2.0,52.82,20.0,2.0,9.0,19.0,3.0,2.0,5.2574,3.0 +InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%295-7%286%292%2Fh3-5%2C9H%2C1-2H3,9.0,0.0,7.11111111111111,42.0,37.5808,2.72222222222222,6.0,1.70414201183432,112.086997032166,5.0,0.0,20.23,9.0,1.0,4.0,9.0,1.0,0.0,2.009,1.0 +InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3,12.0,0.166666666666667,10.0833333333333,56.0,41.265,4.296875,0.0,3.515625,160.083995819092,6.0,0.0,44.76,12.0,0.0,5.0,12.0,4.0,2.0,1.047,4.0 +InChI%3D1S%2FC9H11BrN2O2%2Fc1-12%2814-2%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29,14.0,0.285714285714286,12.0714285714286,64.0,57.9327,5.77777777777778,6.0,3.96,248.014995574951,9.0,1.0,41.57,14.0,1.0,8.0,14.0,4.0,4.0,2.4742,4.0 +InChI%3D1S%2FC13H11N3%2Fc14-10-3-1-8-5-9-2-4-11%2815%297-13%289%2916-12%288%296-10%2Fh1-7H%2C14-15H2,18.0,0.0,11.1111111111111,88.0,68.0738,4.3491124260355,16.0,2.20415224913495,198.163995742798,8.0,0.0,64.93,18.0,0.0,7.0,16.0,3.0,0.0,2.5524,3.0 +InChI%3D1S%2FC7H16N%2Fc1-8%282%296-4-3-5-7-8%2Fh3-7H2%2C1-2H3,8.0,0.0,6.125,38.0,35.0522,2.08264462809917,0.0,1.8,98.0839977264404,4.0,0.0,0.0,8.0,0.0,3.0,8.0,0.0,0.0,1.2055,0.0 +InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,5.0,0.2,6.0,22.0,30.988,2.22222222222222,0.0,3.0,165.833995819092,3.0,4.0,0.0,5.0,0.0,2.0,6.0,0.0,1.0,2.5938,0.0 +InChI%3D1S%2FC22H19Cl2NO3%2Fc1-22%282%2917%2812-19%2823%2924%2920%2822%2921%2826%2928-18%2813-25%2914-7-6-10-16%2811-14%2927-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,30.0,0.233333333333333,22.68,146.0,107.954,9.87128177393186,12.0,5.3890306122449,397.151989936829,15.0,2.0,59.32,30.0,0.0,14.0,28.0,4.0,7.0,6.17798,4.0 +InChI%3D1S%2FC14H18ClN3O2%2Fc1-14%282%2C3%2912%2819%2913%2818-9-16-8-17-18%2920-11-6-4-10%2815%295-7-11%2Fh4-9%2C12-13%2C19H%2C1-3H3,21.0,0.238095238095238,16.3718820861678,102.0,76.6008,6.84,11.0,4.49632653061224,277.625993728638,9.0,1.0,60.17,21.0,1.0,8.0,20.0,4.0,5.0,2.9161,5.0 +InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,9.0,0.333333333333333,10.0,38.0,43.6968,5.76,0.0,5.53086419753086,152.13399887085,7.0,0.0,79.48,9.0,1.0,6.0,10.0,5.0,3.0,1.2432,5.0 +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%2C1-2H3,20.0,0.25,15.39,96.0,79.918,6.63520408163265,11.0,3.55555555555556,305.235999107361,10.0,0.0,133.44,20.0,0.0,9.0,19.0,7.0,5.0,2.6501,8.0 +InChI%3D1S%2FC11H23NOS%2Fc1-6-14-11%2813%2912%287-9%282%293%298-10%284%295%2Fh9-10H%2C6-8H2%2C1-5H3,13.0,0.538461538461538,14.0,58.0,64.777,7.3125,0.0,7.04,194.193997383118,7.0,0.0,45.61,13.0,0.0,6.0,14.0,3.0,7.0,3.4735,3.0 +InChI%3D1S%2FC16H17F5N2O2S%2Fc1-7%282%296-8-9%2815%2824%2925-3%2911%2813%2817%2918%2923-12%2816%2819%2C20%2921%2910%288%2914-22-4-5-26-14%2Fh7%2C13H%2C4-6H2%2C1-3H3,27.0,0.259259259259259,22.2908093278464,134.0,85.1307,9.0,6.0,5.09342560553633,379.24499130249,8.0,5.0,76.85,27.0,0.0,7.0,26.0,5.0,7.0,3.9521,5.0 +InChI%3D1S%2FC6H3N3O6%2Fc10-7%2811%294-1-5%288%2812%2913%293-6%282-4%299%2814%2915%2Fh1-3H,15.0,0.2,13.0666666666667,72.0,52.908,5.36507936507936,6.0,3.5,210.080995559692,6.0,0.0,137.46,15.0,0.0,5.0,15.0,6.0,3.0,2.9808,0.0 +InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,10.0,0.4,11.0,46.0,42.4985,4.79289940828402,0.0,4.44444444444444,213.919996261597,6.0,2.0,54.57,10.0,0.0,5.0,11.0,4.0,4.0,2.6804,4.0 +InChI%3D1S%2FC25H24F6N4%2Fc1-23%282%2915-32-22%2833-16-23%2935-34-21%2813-7-17-3-9-19%2810-4-17%2924%2826%2C27%2928%2914-8-18-5-11-20%2812-6-18%2925%2829%2C30%2931%2Fh3-14H%2C15-16H2%2C1-2H3%2C%28H2%2C32%2C33%2C35%29,37.0,0.216216216216216,29.554419284149,182.0,120.2498,12.6975308641975,12.0,10.0017236426314,470.290987014771,16.0,6.0,48.78,37.0,2.0,15.0,35.0,4.0,8.0,6.14620000000001,4.0 +InChI%3D1S%2FP4%2Fc1-2-3%281%294%281%292,6.0,0.0,1.0,36.0,27.68,0.0833333333333333,0.0,0.00694444444444444,123.896003723145,1.0,0.0,54.36,6.0,0.0,0.0,4.0,4.0,0.0,3.4448,0.0 +InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,4.0,0.25,5.0,14.0,25.713,4.0,0.0,4.0,106.938997268677,4.0,2.0,0.0,4.0,0.0,3.0,5.0,0.0,1.0,1.9777,0.0 +InChI%3D1S%2FC49H73NO14%2Fc1-25%282%2943-28%285%2917-18-48%2864-43%2923-35-20-34%2863-48%2916-15-27%284%2944%2826%283%2913-12-14-33-24-57-46-42%2852%2929%286%2919-36%2847%2853%2960-35%2949%2833%2C46%2954%2961-40-22-38%2856-11%2945%2831%288%2959-40%2962-39-21-37%2855-10%2941%2830%287%2958-39%2950-32%289%2951%2Fh12-15%2C17-19%2C25-26%2C28%2C30-31%2C34-46%2C52%2C54H%2C16%2C20-24H2%2C1-11H3%2C%28H%2C50%2C51%29,70.0,0.114285714285714,51.84,350.0,236.2074,21.9657142857143,0.0,11.4667709912465,826.531978607178,23.0,0.0,182.42,70.0,3.0,22.0,64.0,15.0,8.0,5.9714,15.0 +InChI%3D1S%2FC7H5N3O6%2Fc1-4-6%289%2813%2914%292-5%288%2811%2912%293-7%284%2910%2815%2916%2Fh2-3H%2C1H3,16.0,0.1875,14.0625,78.0,57.645,5.55765595463138,6.0,3.25,222.091995239258,6.0,0.0,137.46,16.0,0.0,5.0,16.0,6.0,3.0,3.2892,0.0 +InChI%3D1S%2FC17H29NO3S%2Fc1-5-8-14%2818-21-6-2%2917-15%2819%2910-13%2811-16%2817%2920%299-12%284%2922-7-3%2Fh12-13%2C17H%2C5-11H2%2C1-4H3,22.0,0.409090909090909,20.0454545454545,100.0,92.408,10.7142857142857,0.0,6.57439446366782,298.257994651794,13.0,0.0,81.03,22.0,0.0,12.0,22.0,5.0,9.0,3.8751,5.0 +InChI%3D1S%2FC19H34O3%2Fc1-15%282%2922-18%2820%2914-17%284%2911-8-10-16%283%2912-9-13-19%285%2C6%2921-7%2Fh8%2C11%2C14-16H%2C9-10%2C12-13H2%2C1-7H3,21.0,0.523809523809524,22.0,96.0,92.845,11.522633744856,0.0,13.1944444444444,276.205992698669,15.0,0.0,35.53,21.0,0.0,14.0,22.0,3.0,11.0,5.062,3.0 +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%29,13.0,0.230769230769231,11.0769230769231,60.0,54.1577,5.0242214532872,6.0,3.7037037037037,187.564995765686,8.0,1.0,32.34,13.0,1.0,7.0,13.0,3.0,3.0,2.4335,3.0 +InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,2.0,0.0,3.0,6.0,16.573,2.0,0.0,0.0,82.9169979095459,2.0,2.0,0.0,2.0,0.0,1.0,3.0,0.0,0.0,1.4215,0.0 +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%2C1-2H3,19.0,0.263157894736842,17.0526315789474,92.0,78.0115,7.1358024691358,6.0,4.23140495867769,356.89199256897,9.0,4.0,54.57,19.0,0.0,8.0,19.0,4.0,5.0,5.6015,4.0 +InChI%3D1S%2FC8H10O%2Fc1-6-4-3-5-7%282%298%286%299%2Fh3-5%2C9H%2C1-2H3,9.0,0.0,7.11111111111111,42.0,37.5808,2.72222222222222,6.0,1.46938775510204,112.086997032166,4.0,0.0,20.23,9.0,1.0,3.0,9.0,1.0,0.0,2.009,1.0 +InChI%3D1S%2FC15H18Cl2N2O3%2Fc1-8%282%2921-12-7-11%289%2816%296-10%2812%2917%2919-14%2820%2922-13%2818-19%2915%283%2C4%295%2Fh6-8H%2C1-5H3,23.0,0.173913043478261,18.3402646502836,116.0,86.584,6.85714285714286,11.0,4.30839002267574,327.081992149353,10.0,2.0,57.26,23.0,0.0,9.0,22.0,3.0,4.0,4.217,5.0 +InChI%3D1S%2FC12H4Cl2F6N4OS%2Fc13-5-1-4%2811%2815%2C16%2917%292-6%2814%298%285%2924-10%2822%299%287%283-21%2923-24%2926%2825%2912%2818%2C19%2920%2Fh1-2H%2C22H2,27.0,0.148148148148148,22.2908093278464,140.0,80.3119,7.78799351000541,11.0,4.54320987654321,433.119990348816,11.0,8.0,103.91,27.0,0.0,10.0,26.0,4.0,4.0,5.14488,5.0 +InChI%3D1S%2FC17H9ClF8N2O4%2Fc18-8-6-7%284-5-11%288%2931-16%2822%2C23%2914%2821%2932-17%2824%2C25%2926%2927-15%2830%2928-13%2829%2912-9%2819%292-1-3-10%2812%2920%2Fh1-6%2C14H%2C%28H2%2C27%2C28%2C29%2C30%29,33.0,0.242424242424242,28.2387511478421,164.0,94.3106,11.6201582673886,12.0,8.62809917355372,483.633985519409,17.0,9.0,83.64,33.0,2.0,16.0,32.0,6.0,8.0,5.9721,6.0 +InChI%3D1S%2FC18H41N7%2Fc19-17%2820%2924-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18%2821%2922%2Fh23H%2C1-16H2%2C%28H4%2C19%2C20%2C24%29%28H4%2C21%2C22%2C25%29,24.0,0.833333333333333,25.0,98.0,109.031,20.3136,0.0,24.0,314.246994018555,22.0,0.0,140.41,24.0,4.0,21.0,25.0,6.0,20.0,1.1972,6.0 +InChI%3D1S%2FC6H11NO%2Fc8-6-4-2-1-3-5-7-6%2Fh1-5H2%2C%28H%2C7%2C8%29,8.0,0.0,6.125,34.0,30.59,3.11111111111111,0.0,2.22222222222222,102.071997642517,4.0,0.0,32.59,8.0,1.0,3.0,8.0,2.0,0.0,0.9525,2.0 +InChI%3D1S%2FC7H7Cl3NO3PS%2Fc1-12-15%2816%2C13-2%2914-7-5%289%293-4%288%296%2810%2911-7%2Fh3H%2C1-2H3,16.0,0.25,14.0625,78.0,68.424,5.55765595463138,6.0,3.49519890260631,315.480996131897,8.0,3.0,82.48,16.0,0.0,7.0,16.0,5.0,4.0,4.5885,5.0 +InChI%3D1S%2FC11H10Cl2F2N4O3S%2Fc1-5-16-19%2811%2820%2918%285%2910%2814%2915%299-4-8%2817-23%282%2C21%2922%296%2812%293-7%289%2913%2Fh3-4%2C10%2C17H%2C1-2H3,24.0,0.166666666666667,19.3263888888889,122.0,82.3447,7.08692476260044,11.0,4.34567901234568,377.114993095398,10.0,4.0,94.37,24.0,1.0,9.0,23.0,5.0,4.0,3.4966,7.0 +InChI%3D1S%2FC6H10O4S2%2Fc1-5-6%282%2912%289%2C10%294-3-11%285%2C7%298%2Fh3-4H2%2C1-2H3,12.0,0.0,10.0833333333333,64.0,46.036,2.75,0.0,1.70132325141777,200.195999145508,5.0,0.0,85.04,12.0,0.0,4.0,12.0,4.0,0.0,2.2426,4.0 +InChI%3D1S%2FC10H12ClNO2%2Fc1-7%282%2914-10%2813%2912-9-5-3-4-8%2811%296-9%2Fh3-7H%2C1-2H3%2C%28H%2C12%2C13%29,14.0,0.214285714285714,12.0714285714286,64.0,57.3968,5.77777777777778,6.0,4.88888888888889,201.567995071411,8.0,1.0,41.82,14.0,1.0,7.0,14.0,3.0,3.0,3.3105,3.0 +InChI%3D1S%2FC12H16ClNOS%2Fc1-3-14%284-2%2912%2815%2916-9-10-5-7-11%2813%298-6-10%2Fh5-8H%2C3-4%2C9H2%2C1-2H3,16.0,0.375,14.0625,72.0,71.064,7.35,6.0,4.81663516068053,241.657996177673,10.0,1.0,45.61,16.0,0.0,9.0,16.0,3.0,6.0,4.035,3.0 +InChI%3D1S%2FC14H16O6%2Fc1-3-18-12%2815%299-20-14%2817%2911-8-6-5-7-10%2811%2913%2816%2919-4-2%2Fh5-8H%2C3-4%2C9H2%2C1-2H3,20.0,0.45,18.05,90.0,69.314,9.8496,6.0,6.12,264.147993087769,12.0,0.0,78.9,20.0,0.0,11.0,20.0,6.0,9.0,1.5832,6.0 +InChI%3D1S%2FC3H6N6O6%2Fc10-7%2811%294-1-5%288%2812%2913%293-6%282-4%299%2814%2915%2Fh1-3H2,15.0,0.2,13.0666666666667,72.0,40.9446,5.36507936507936,0.0,3.5,216.068996429443,6.0,0.0,147.18,15.0,0.0,5.0,15.0,9.0,3.0,-0.2631,3.0 +InChI%3D1S%2FC10H7N3S%2Fc1-2-4-8-7%283-1%2912-10%2813-8%299-5-14-6-11-9%2Fh1-6H%2C%28H%2C12%2C13%29,16.0,0.0625,9.2421875,76.0,57.2017,3.86776859504132,15.0,1.76,194.197998046875,7.0,0.0,69.81,16.0,1.0,6.0,14.0,2.0,1.0,2.6864,3.0 +InChI%3D1S%2FC7H13N3O3S%2Fc1-8-7%2812%2913-9-5%2814-4%296%2811%2910%282%293%2Fh1-4H3%2C%28H%2C8%2C12%29,13.0,0.384615384615385,14.0,58.0,56.7168,7.3125,0.0,5.48096885813149,206.161997795105,8.0,0.0,99.79,13.0,1.0,7.0,14.0,7.0,5.0,0.3115,7.0 +InChI%3D1S%2FC12H14N4O4S2%2Fc1-19-11%2817%2915-9%2821%2913-7-5-3-4-6-8%287%2914-10%2822%2916-12%2818%2920-2%2Fh3-6H%2C1-2H3%2C%28H2%2C13%2C15%2C17%2C21%29%28H2%2C14%2C16%2C18%2C22%29,22.0,0.272727272727273,20.0454545454545,100.0,92.7496,10.7142857142857,6.0,7.90842872008325,328.28999710083,13.0,0.0,185.96,22.0,4.0,12.0,22.0,10.0,6.0,2.642,10.0 +InChI%3D1S%2FCH2O%2Fc1-2%2Fh1H2,1.0,0.0,2.0,2.0,7.121,0.0,0.0,0.0,28.0099992752075,1.0,0.0,17.07,1.0,0.0,0.0,2.0,1.0,0.0,-0.1849,1.0 +InChI%3D1S%2FC9H21O2PS3%2Fc1-6-10-12%2813%2C11-7-2%2915-8-14-9%283%2C4%295%2Fh6-8H2%2C1-5H3,14.0,0.571428571428571,15.0,66.0,77.565,6.55401662049861,0.0,7.875,267.272001266479,8.0,0.0,110.96,14.0,0.0,7.0,15.0,5.0,8.0,5.1569,5.0 +InChI%3D1S%2FC18H24N2O6%2Fc1-3-5-6-7-8-9-11-14-12-15%2819%2822%2923%2918%2816%2813-14%2920%2824%2925%2926-17%2821%2910-4-2%2Fh4%2C10%2C12-13H%2C3%2C5-9%2C11H2%2C1-2H3,26.0,0.461538461538462,24.0384615384615,118.0,101.615,13.2231404958678,6.0,8.71005917159763,340.205991744995,16.0,0.0,117.94,26.0,0.0,15.0,26.0,6.0,12.0,5.9339,2.0 +InChI%3D1S%2FC22H23ClN2O9%2Fc1-21%2833%2911-6%2823%294-5-7%2826%298%2811%2915%2827%299-12%2821%2917%2829%2913-14%2825%282%293%2916%2828%2910%2820%2824%2932%2919%2831%2922%2813%2C34%2918%289%2930%2Fh4-5%2C12-14%2C17%2C26-27%2C29%2C32-34H%2C24H2%2C1-3H3,37.0,0.027027027027027,27.0460189919649,198.0,117.7689,8.79084287200832,6.0,3.51734072022161,471.699988365173,11.0,1.0,203.05,37.0,7.0,10.0,34.0,10.0,1.0,-2.1639,10.0
\ No newline at end of file |