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

SMILES,PolarSurfaceArea,HeteroCycles,RotatableBonds,GraphShapeCoefficient,LogP,FractionRotatableBonds,MolarRefractivity,NumberOfHal,TopologicalDiameter,MolecularWeight,KierShape1,KierShape2,HBD1,KierShape3
InChI%3D1S%2FC12H19N%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9H%2C13H2%2C1-4H3,26.02,0.0,2.0,5.0,3.5156,0.153846153846154,59.0324,0.0,6.0,158.138996124268,11.0769230769231,4.48148148148148,1.0,2.47933884297521
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,0.0,0.0,0.0,4.0,2.8398,0.0,43.948,0.0,5.0,120.109996795654,6.69421487603306,2.93877551020408,0.0,1.38271604938272
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,20.23,0.0,3.0,9.0,5.5995,0.142857142857143,86.1928,5.0,10.0,361.417990684509,16.3718820861678,6.01171875,1.0,3.27662105889352
InChI%3D1S%2FC8H17Br%2Fc1-2-3-4-5-6-7-8-9%2Fh2-8H2%2C1H3,0.0,0.0,6.0,7.0,3.7418,0.75,47.17,1.0,8.0,175.991996765137,9.0,8.0,0.0,8.0
InChI%3D1S%2FC7H5NO4%2Fc9-4-5-3-6%2810%291-2-7%285%298%2811%2912%2Fh1-4%2C10H,83.12,0.0,2.0,5.0,1.6361,0.166666666666667,42.3163,0.0,6.0,162.079996109009,10.0833333333333,4.296875,1.0,2.49307479224377
InChI%3D1S%2FC12H12N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29,82.25,1.0,2.0,7.0,1.2522,0.111111111111111,58.317,0.0,8.0,220.142994880676,13.4320987654321,5.32544378698225,2.0,2.29072315558802
InChI%3D1S%2FC9H10O%2Fc1-2-5-8-6-3-4-7-9%288%2910%2Fh2-4%2C6-7%2C10H%2C1%2C5H2,20.23,0.0,2.0,5.0,2.1207,0.2,42.0078,0.0,6.0,124.097996711731,8.1,4.0,1.0,2.28571428571429
InChI%3D1S%2FC9H10O3%2Fc1-2-12-9-5-7%286-10%293-4-8%289%2911%2Fh3-6%2C11H%2C2H2%2C1H3,46.53,0.0,3.0,6.0,1.6034,0.25,44.6633,0.0,7.0,156.095995903015,10.0833333333333,4.88888888888889,1.0,2.77777777777778
InChI%3D1S%2FC6H12O%2Fc7-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2,20.23,0.0,0.0,3.0,1.3114,0.0,29.0918,0.0,4.0,88.0649976730347,5.14285714285714,2.34375,1.0,1.5
InChI%3D1S%2FC7H5ClO%2Fc8-7-3-1-6%285-9%292-4-7%2Fh1-5H,17.07,0.0,1.0,5.0,2.1525,0.111111111111111,36.8395,1.0,6.0,135.52899646759,7.11111111111111,3.2396694214876,0.0,2.0
InChI%3D1S%2FC12H10S2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H,50.6,0.0,3.0,8.0,4.486,0.2,64.598,0.0,9.0,208.265998840332,10.5155555555556,5.77777777777778,0.0,3.59183673469388
InChI%3D1S%2FC6H7N%2Fc1-6-3-2-4-7-5-6%2Fh2-5H%2C1H3,12.89,1.0,0.0,3.0,1.39,0.0,28.974,0.0,4.0,86.072998046875,5.14285714285714,2.34375,0.0,1.5
InChI%3D1S%2FC6H7ClN.HI%2Fc1-8-5-3-2-4-6%288%297%3B%2Fh2-5H%2C1H3%3B1H%2Fq%2B1%3B%2Fp-1,3.88,1.0,0.0,3.0,1.1645,0.0,34.762,1.0,4.0,121.525997161865,6.125,2.52,0.0,1.48760330578512
InChI%3D1S%2FC8H10O2%2Fc9-6-7-10-8-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2,29.46,0.0,3.0,6.0,1.0577,0.3,39.0228,0.0,7.0,128.085996627808,8.1,4.7603305785124,1.0,3.11111111111111
InChI%3D1S%2FC18H39O7P%2Fc1-4-7-10-20-13-16-23-26%2819%2C24-17-14-21-11-8-5-2%2925-18-15-22-12-9-6-3%2Fh4-18H2%2C1-3H3,82.26,0.0,21.0,15.0,4.5944,0.84,102.6435,0.0,16.0,359.164992332458,26.0,19.7530864197531,0.0,18.1728395061728
InChI%3D1S%2FC9H10O3%2Fc1-11-8-4-3-7%286-10%299%285-8%2912-2%2Fh3-6H%2C1-2H3,35.53,0.0,3.0,6.0,1.5163,0.25,44.9335,0.0,7.0,156.095995903015,10.0833333333333,4.88888888888889,0.0,2.49307479224377
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,0.0,0.0,1.0,2.0,3.7268,0.142857142857143,40.58,6.0,3.0,236.739994049072,8.0,1.75,0.0,2.22222222222222
InChI%3D1S%2FC5H8F4O%2Fc1-4%282%2C10%295%288%2C9%293%286%297%2Fh3%2C10H%2C1-2H3,20.23,0.0,2.0,3.0,1.6577,0.222222222222222,27.2488,4.0,4.0,152.045994758606,10.0,2.56,1.0,1.99111111111111
InChI%3D1S%2FC15H24O%2Fc1-10-8-11%2814%282%2C3%294%2913%2816%2912%289-10%2915%285%2C6%297%2Fh8-9%2C16H%2C1-7H3,20.23,0.0,2.0,5.0,4.2956,0.125,70.2438,0.0,6.0,196.163994789124,14.0625,4.3491124260355,1.0,3.25
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H,40.46,0.0,0.0,3.0,1.0978,0.0,29.7716,0.0,4.0,104.063997268677,6.125,2.52,2.0,1.48760330578512
InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3H%2C%28H2%2C10%2C11%29,44.08,0.0,1.0,4.0,2.8768,0.0909090909090909,45.9195,2.0,5.0,184.988995552063,9.09090909090909,3.6,2.0,1.97530864197531
InChI%3D1S%2FC19H12O6%2Fc20-16-10-5-1-3-7-14%2810%2924-18%2822%2912%2816%299-13-17%2821%2911-6-2-4-8-15%2811%2925-19%2813%2923%2Fh1-8%2C20-21H%2C9H2,100.88,2.0,2.0,11.0,2.9014,0.0714285714285714,91.1036,0.0,12.0,324.202991485596,18.3673469387755,7.55264723378941,2.0,3.45303210463734
InChI%3D1S%2FC2H2ClN%2Fc3-1-2-4%2Fh1H2,23.79,0.0,0.0,2.0,0.74878,0.0,16.333,1.0,3.0,73.4819984436035,4.0,3.0,0.0,4.0
InChI%3D1S%2FC7H5NO4%2Fc9-6%2810%294-2-1-3-5%288-4%297%2811%2912%2Fh1-3H%2C%28H%2C9%2C10%29%28H%2C11%2C12%29,93.15,1.0,2.0,5.0,-2.1914,0.166666666666667,34.271,0.0,6.0,162.079996109009,10.0833333333333,4.296875,0.0,2.77777777777778
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,20.23,0.0,1.0,6.0,3.0592,0.0714285714285714,53.5428,0.0,7.0,160.130995750427,9.55102040816327,4.48148148148148,1.0,2.26843100189036
InChI%3D1S%2FC13H29NO4%2Fc1-6-15-12%2816-7-2%2910-14%285%2911-13%2817-8-3%2918-9-4%2Fh12-13H%2C6-11H2%2C1-5H3,41.36,0.0,12.0,9.0,0.299300000000001,0.705882352941177,72.8347,0.0,10.0,234.145994186401,18.0,12.0554016620499,1.0,9.6
InChI%3D1S%2FC10H12O%2Fc1-8%282%2910-5-3-9%287-11%294-6-10%2Fh3-8H%2C1-2H3,17.07,0.0,2.0,6.0,2.6225,0.181818181818182,45.9185,0.0,7.0,136.108996391296,9.09090909090909,4.13265306122449,0.0,2.5
InChI%3D1S%2FC7H14O%2Fc1-4-6%282%297%283%295-8%2Fh5-7H%2C4H2%2C1-3H3,17.07,0.0,3.0,4.0,1.8675,0.428571428571429,34.683,0.0,5.0,100.0759973526,8.0,3.9375,0.0,2.8125
InChI%3D1S%2FC16H25NO2%2Fc1-3-4-5-6-7-10-13-19-16-12-9-8-11-15%2816%2917-14%282%2918%2Fh8-9%2C11-12H%2C3-7%2C10%2C13H2%2C1-2H3%2C%28H%2C17%2C18%29,41.82,0.0,9.0,12.0,5.0338,0.473684210526316,80.7108,0.0,13.0,238.180994033813,17.0526315789474,10.7479338842975,1.0,8.0
InChI%3D1S%2FC4H9Br%2Fc1-2-3-4-5%2Fh2-4H2%2C1H3,0.0,0.0,2.0,3.0,2.1814,0.5,28.702,1.0,4.0,127.947998046875,5.0,4.0,0.0,4.0
InChI%3D1S%2FC9H16O2%2Fc1-3-5-6-7-8-11-9%2810%294-2%2Fh4H%2C2-3%2C5-8H2%2C1H3,26.3,0.0,7.0,8.0,2.2959,0.7,45.298,0.0,9.0,140.096996307373,11.0,8.1,0.0,7.90123456790123
InChI%3D1S%2FC10H22N2%2Fc1-9%282%2C11%298-4-6-10%283%2C12%297-5-8%2Fh8H%2C4-7%2C11-12H2%2C1-3H3,55.28,0.0,1.0,5.0,0.1977,0.0833333333333333,54.4862,0.0,6.0,148.123996734619,10.0833333333333,3.04709141274238,2.0,2.77777777777778
InChI%3D1S%2FC12H8F2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H,9.23,0.0,2.0,9.0,3.7571,0.125,52.874,2.0,10.0,198.126994132996,11.484375,5.36507936507936,0.0,3.5
InChI%3D1S%2FC5H10O%2Fc1-2-3-4-5-6%2Fh5H%2C2-4H2%2C1H3,17.07,0.0,3.0,4.0,1.3755,0.6,25.589,0.0,5.0,76.0539979934692,6.0,5.0,0.0,5.33333333333333
InChI%3D1S%2FC8H10N2O3%2Fc1-2-13-6-3-4-7%289%298%285-6%2910%2811%2912%2Fh3-5H%2C2%2C9H2%2C1H3,81.07,0.0,3.0,6.0,2.0989,0.230769230769231,50.8454,0.0,7.0,172.098996162415,11.0769230769231,5.0242214532872,1.0,3.0
InChI%3D1S%2FC8H18S2%2Fc1-9-7-5-3-4-6-8-10-2%2Fh3-8H2%2C1-2H3,50.6,0.0,7.0,8.0,3.2728,0.777777777777778,55.232,0.0,9.0,160.22200012207,10.0,9.0,0.0,9.14285714285714
InChI%3D1S%2FC3H7Br%2Fc1-2-3-4%2Fh2-3H2%2C1H3,0.0,0.0,1.0,2.0,1.7913,0.333333333333333,24.085,1.0,3.0,115.93699836731,4.0,3.0,0.0,4.0
InChI%3D1S%2FC6H12%2Fc1-2-4-6-5-3-1%2Fh1-6H2,0.0,0.0,0.0,2.0,2.3406,0.0,27.702,0.0,3.0,72.0659980773926,4.16666666666667,2.22222222222222,0.0,1.33333333333333
InChI%3D1S%2FC3H5N%2Fc1-2-3-4%2Fh2H2%2C1H3,23.79,0.0,0.0,2.0,0.91998,0.0,15.904,0.0,3.0,50.0399990081787,4.0,3.0,0.0,4.0
InChI%3D1S%2FC5H4ClNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H,33.12,1.0,0.0,3.0,1.4406,0.0,30.9118,1.0,4.0,125.513997077942,6.125,2.52,1.0,1.48760330578512
InChI%3D1S%2FC12H17NO%2Fc1-4-13%285-2%2912%2814%2911-8-6-7-10%283%299-11%2Fh6-9H%2C4-5H2%2C1-3H3,20.31,0.0,4.0,6.0,2.477,0.285714285714286,58.4305,0.0,7.0,174.13799571991,12.0714285714286,5.77777777777778,0.0,3.27272727272727
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3,9.23,0.0,1.0,2.0,1.4313,0.2,26.762,0.0,3.0,76.0539979934692,6.0,1.63265306122449,0.0,5.33333333333333
InChI%3D1S%2FC12H10N2O%2Fc15-12-8-6-11%287-9-12%2914-13-10-4-2-1-3-5-10%2Fh1-9%2C15H%2Fb14-13-,44.95,0.0,2.0,9.0,3.8076,0.125,58.7248,0.0,10.0,188.144995689392,11.484375,5.915,1.0,3.8109640831758
InChI%3D1S%2FC4H6Cl2%2Fc1-4%282-5%293-6%2Fh1-3H2,0.0,0.0,2.0,3.0,2.0202,0.4,30.58,2.0,4.0,118.949996948242,6.0,3.2,0.0,3.0
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%2C1-4H3,138.26,0.0,11.0,8.0,2.7724,0.611111111111111,77.791,0.0,9.0,311.21199798584,19.0,9.8336483931947,0.0,7.3728
InChI%3D1S%2FC10H16%2Fc1-7-2-9-4-8%281%295-10%283-7%296-9%2Fh7-10H%2C1-6H2,0.0,0.0,0.0,3.0,2.8326,0.0,41.662,0.0,4.0,120.109996795654,5.625,1.77777777777778,0.0,0.777777777777778
InChI%3D1S%2FC8H12N2%2Fc9-7-5-3-1-2-4-6-8-10%2Fh1-6H2,47.58,0.0,5.0,8.0,2.37416,0.555555555555556,38.928,0.0,9.0,124.101997375488,10.0,9.0,0.0,9.14285714285714
InChI%3D1S%2FC8H6Cl2O%2Fc1-5%2811%297-3-2-6%289%294-8%287%2910%2Fh2-4H%2C1H3,17.07,0.0,1.0,5.0,3.196,0.0909090909090909,46.4665,2.0,6.0,182.992995262146,9.09090909090909,3.6,0.0,2.21453287197232
InChI%3D1S%2FC6H12O%2Fc1-3-4-5-6%282%297%2Fh3-5H2%2C1-2H3,17.07,0.0,3.0,4.0,1.7656,0.5,30.206,0.0,5.0,88.0649976730347,7.0,4.16666666666667,0.0,6.0
InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H,12.03,0.0,2.0,7.0,3.4302,0.142857142857143,56.1667,0.0,8.0,158.138996124268,9.55102040816327,5.0242214532872,1.0,3.0
InChI%3D1S%2FC9H12O%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5%2C10H%2C1-3H3,20.23,0.0,0.0,4.0,2.3174,0.0,42.3178,0.0,5.0,124.097996711731,8.1,2.93877551020408,1.0,1.75
InChI%3D1S%2FC8H19O2PS3%2Fc1-4-9-11%2812%2C10-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3,110.96,0.0,9.0,8.0,4.4208,0.692307692307692,73.22,0.0,9.0,255.261001586914,14.0,8.32,0.0,7.04
InChI%3D1S%2FC12H16O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-3%2C6-7%2C11-13H%2C4-5%2C8-9H2%2Ft11%3F%2C12-%2Fm1%2Fs1,20.23,0.0,1.0,6.0,2.7051,0.0714285714285714,53.6578,0.0,7.0,160.130995750427,9.55102040816327,4.48148148148148,1.0,2.26843100189036
InChI%3D1S%2FC9H9N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh1-3H%2C7-9H2,4.44,0.0,3.0,5.0,-1.2291,0.333333333333333,44.1967,0.0,6.0,122.105997085571,10.0,7.11111111111111,1.0,5.53086419753086
InChI%3D1S%2FC4H11NO%2Fc1-2-5-3-4-6%2Fh5-6H%2C2-4H2%2C1H3,36.84,0.0,3.0,4.0,-1.438,0.6,26.5532,0.0,5.0,78.0499982833862,6.0,5.0,2.0,5.33333333333333
InChI%3D1S%2FC6H10%2Fc1-3-5-6-4-2%2Fh3-6H%2C1-2H3,0.0,0.0,1.0,4.0,2.1386,0.2,29.628,0.0,5.0,72.0659980773926,6.0,5.0,0.0,5.33333333333333
InChI%3D1S%2FC8H18S2%2Fc1-7%282%2C3%299-10-8%284%2C5%296%2Fh1-6H3,50.6,0.0,3.0,4.0,3.9648,0.333333333333333,54.688,0.0,5.0,160.22200012207,10.0,2.93877551020408,0.0,9.14285714285714
InChI%3D1S%2FC13H8Cl2O2%2Fc14-12-5-4-11%287-13%2812%2915%2917-10-3-1-2-9%286-10%298-16%2Fh1-8H,26.3,0.0,3.0,9.0,4.5982,0.166666666666667,68.3655,2.0,10.0,259.046993255615,13.4320987654321,6.25,0.0,3.72889417360285
InChI%3D1S%2FC10H15N%2Fc1-2-3-4-9-5-7-10%2811%298-6-9%2Fh5-8H%2C2-4%2C11H2%2C1H3,26.02,0.0,3.0,7.0,2.6114,0.272727272727273,49.4664,0.0,8.0,134.116996765137,9.09090909090909,4.79289940828402,1.0,3.26530612244898
InChI%3D1S%2FC14H18O4%2Fc1-3-17-13%2815%2912%2814%2816%2918-4-2%2910-11-8-6-5-7-9-11%2Fh5-9%2C12H%2C3-4%2C10H2%2C1-2H3,52.6,0.0,8.0,8.0,1.9715,0.444444444444444,66.902,0.0,9.0,232.149993896484,16.0555555555556,8.99173553719008,0.0,5.68047337278106
InChI%3D1S%2FC14H26O4%2Fc1-3-5-11-17-13%2815%299-7-8-10-14%2816%2918-12-6-4-2%2Fh3-12H2%2C1-2H3,52.6,0.0,13.0,14.0,3.2334,0.764705882352941,70.202,0.0,15.0,232.149993896484,18.0,13.4320987654321,0.0,13.2871972318339
InChI%3D1S%2FC8H14O%2Fc1-7%282%295-4-6-8%283%299%2Fh5H%2C4%2C6H2%2C1-3H3,17.07,0.0,3.0,5.0,2.3218,0.375,39.346,0.0,6.0,112.086997032166,9.0,4.83950617283951,0.0,8.0
InChI%3D1S%2FC7H15Br%2Fc1-2-3-4-5-6-7-8%2Fh2-7H2%2C1H3,0.0,0.0,5.0,6.0,3.3517,0.714285714285714,42.553,1.0,7.0,163.980997085571,8.0,7.0,0.0,7.2
InChI%3D1S%2FC15H24O%2Fc1-2-3-4-5-6-7-8-9-14-10-12-15%2816%2913-11-14%2Fh10-13%2C16H%2C2-9H2%2C1H3,20.23,0.0,8.0,12.0,4.6853,0.5,69.8038,0.0,13.0,196.163994789124,14.0625,9.07407407407407,1.0,7.05817174515235
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-4-2-3-5-8%287%2911%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,52.82,0.0,1.0,5.0,2.0001,0.0909090909090909,43.5046,0.0,6.0,142.09299659729,9.09090909090909,4.13265306122449,2.0,2.84444444444444
InChI%3D1S%2FC5H10O%2Fc1-5%282%293-4-6%2Fh4-5H%2C3H2%2C1-2H3,17.07,0.0,2.0,3.0,1.2314,0.4,25.519,0.0,4.0,76.0539979934692,6.0,3.2,0.0,5.33333333333333
InChI%3D1S%2FC17H19NO3%2Fc19-17%2818-10-4-1-5-11-18%297-3-2-6-14-8-9-15-16%2812-14%2921-13-20-15%2Fh2-3%2C6-9%2C12H%2C1%2C4-5%2C10-11%2C13H2%2Fb6-2-%2C7-3-,38.77,2.0,4.0,12.0,2.9351,0.173913043478261,78.9502,0.0,13.0,266.190993309021,15.8790170132325,8.02222222222222,0.0,4.48753462603878
InChI%3D1S%2FC9H10O4%2Fc1-12-6-3-8%2811%297%285-10%299%284-6%2913-2%2Fh3-5%2C11H%2C1-2H3,55.76,0.0,3.0,6.0,1.2219,0.230769230769231,46.5983,0.0,7.0,172.094995498657,11.0769230769231,5.0242214532872,1.0,2.47933884297521
InChI%3D1S%2FC5H4N2O3%2Fc8-4-2-1-3-6-5%284%297%289%2910%2Fh1-3%2C8H,78.94,1.0,1.0,4.0,1.2186,0.1,34.7238,0.0,5.0,136.065997123718,8.1,3.40828402366864,1.0,1.99111111111111
InChI%3D1S%2FC13H13NO%2Fc14-12-7-4-8-13%289-12%2915-10-11-5-2-1-3-6-11%2Fh1-9H%2C10%2C14H2,35.25,0.0,3.0,8.0,2.8478,0.1875,61.6284,0.0,9.0,186.148995399475,11.484375,5.915,1.0,3.8109640831758
InChI%3D1S%2FC12H27N%2Fc1-3-5-7-9-11-13-12-10-8-6-4-2%2Fh13H%2C3-12H2%2C1-2H3,16.61,0.0,10.0,11.0,2.7104,0.833333333333333,62.0774,0.0,12.0,158.138996124268,13.0,12.0,1.0,12.0
InChI%3D1S%2FC7H14N2O2S%2Fc1-7%282%2C12-4%295-9-11-6%2810%298-3%2Fh5H%2C1-4H3%2C%28H%2C8%2C10%29,79.48,0.0,4.0,7.0,1.6742,0.363636363636364,53.1588,0.0,8.0,176.15599822998,12.0,5.61224489795918,1.0,6.25
InChI%3D1S%2FC8H16O%2Fc1-3-4-5-6-7-8%282%299%2Fh3-7H2%2C1-2H3,17.07,0.0,5.0,6.0,2.5458,0.625,39.44,0.0,7.0,112.086997032166,9.0,6.125,0.0,8.0
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,9.23,1.0,0.0,1.0,0.7968,0.0,20.053,0.0,2.0,64.0429983139038,3.2,1.44,0.0,0.64
InChI%3D1S%2FC10H22S2%2Fc1-3-7-11-9-5-6-10-12-8-4-2%2Fh3-10H2%2C1-2H3,50.6,0.0,9.0,10.0,4.053,0.818181818181818,64.466,0.0,11.0,184.243999481201,12.0,11.0,0.0,11.1111111111111
InChI%3D1S%2FC6H8N2%2Fc7-5-3-1-2-4-6-8%2Fh1-4H2,47.58,0.0,3.0,6.0,1.59396,0.428571428571429,29.694,0.0,7.0,100.079998016357,8.0,7.0,0.0,7.2
InChI%3D1S%2FC3HBr3N2%2Fc4-1-2%285%298-3%286%297-1%2Fh%28H%2C7%2C8%29,28.68,1.0,0.0,3.0,2.6972,0.0,41.6877,3.0,4.0,303.758996963501,6.125,2.08264462809917,1.0,1.25
InChI%3D1S%2FC12H10O3%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8%2C13-14H,49.69,0.0,2.0,9.0,2.8901,0.125,56.2876,0.0,10.0,192.128994941711,11.484375,5.36507936507936,2.0,3.5
InChI%3D1S%2FC7H6O2%2Fc8-5-6-3-1-2-4-7%286%299%2Fh1-5%2C9H,37.3,0.0,1.0,4.0,1.2047,0.111111111111111,33.4943,0.0,5.0,116.074996948242,7.11111111111111,3.2396694214876,1.0,1.70414201183432
InChI%3D1S%2FC7H5BrO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H,37.3,0.0,1.0,4.0,1.9672,0.1,41.1943,1.0,5.0,195.978996276855,8.1,3.40828402366864,1.0,1.99111111111111
InChI%3D1S%2FC9H16O%2Fc1-5-9%284%2C10%297-6-8%282%293%2Fh1%2C8%2C10H%2C6-7H2%2C2-4H3,20.23,0.0,3.0,5.0,1.8068,0.333333333333333,43.5288,0.0,6.0,124.097996711731,10.0,4.0,1.0,5.53086419753086
InChI%3D1S%2FC7H8O%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5%2C8H%2C1H3,20.23,0.0,0.0,4.0,1.7006,0.0,32.8438,0.0,5.0,100.0759973526,6.125,2.52,1.0,1.8
InChI%3D1S%2FC8H8O%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-6H%2C1H3,17.07,0.0,1.0,4.0,1.8075,0.111111111111111,36.5665,0.0,5.0,112.086997032166,7.11111111111111,3.2396694214876,0.0,1.70414201183432
InChI%3D1S%2FC8H7ClO2%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5H%2C1H3,26.3,0.0,2.0,6.0,2.1266,0.181818181818182,42.7915,1.0,7.0,163.538995742798,9.09090909090909,4.13265306122449,0.0,2.5
InChI%3D1S%2FC9H14O3%2Fc1-7%282%299%2810%2912-6-8-4-3-5-11-8%2Fh8H%2C1%2C3-6H2%2C2H3,35.53,1.0,4.0,6.0,1.2847,0.333333333333333,44.747,0.0,7.0,156.095995903015,10.0833333333333,4.88888888888889,0.0,3.515625
InChI%3D1S%2FC7H4F3NO3%2Fc8-7%289%2C10%295-3-4%2812%291-2-6%285%2911%2813%2914%2Fh1-3%2C12H,66.05,0.0,2.0,5.0,2.8424,0.142857142857143,41.9308,3.0,6.0,203.074994087219,12.0714285714286,4.24489795918367,1.0,2.99432892249527
InChI%3D1S%2FC7H6O3.Na%2Fc8-6-4-2-1-3-5%286%297%289%2910%3B%2Fh1-4%2C8H%2C%28H%2C9%2C10%29%3B%2Fq%3B%2B1%2Fp-1,63.19,0.0,1.0,4.0,0.1939,0.1,31.5915,0.0,5.0,132.073996543884,8.1,3.40828402366864,0.0,1.99111111111111
InChI%3D1S%2FC3H6Br2O%2Fc4-1-3%285%292-6%2Fh3%2C6H%2C1-2H2,20.23,0.0,2.0,3.0,1.1371,0.4,33.5948,2.0,4.0,211.839997291565,6.0,3.2,1.0,3.0
InChI%3D1S%2FC2HCl5%2Fc3-1%284%292%285%2C6%297%2Fh1H,0.0,0.0,1.0,2.0,3.1603,0.166666666666667,35.784,5.0,3.0,201.286994934082,7.0,1.85185185185185,0.0,2.66666666666667
InChI%3D1S%2FC8H10O%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6%2C9H%2C2H2%2C1H3,20.23,0.0,1.0,5.0,1.9546,0.111111111111111,37.4848,0.0,6.0,112.086997032166,7.11111111111111,3.2396694214876,1.0,2.0
InChI%3D1S%2FC10H8O%2Fc11-10-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7%2C11H,20.23,0.0,0.0,4.0,2.5454,0.0,45.6128,0.0,5.0,136.108996391296,7.63888888888889,3.1640625,1.0,1.45124716553288
InChI%3D1S%2FC4H5N%2Fc1-2-3-4-5%2Fh2H%2C1%2C3H2,23.79,0.0,1.0,3.0,1.08608,0.25,20.427,0.0,4.0,62.0509986877441,5.0,4.0,0.0,4.0
InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-4H,23.79,0.0,1.0,5.0,2.57708,0.0833333333333333,36.159,3.0,6.0,167.088994979858,10.0833333333333,3.80622837370242,0.0,2.77777777777778
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,91.64,0.0,2.0,5.0,2.8578,0.153846153846154,48.823,0.0,6.0,176.086996078491,11.0769230769231,4.48148148148148,0.0,2.72108843537415
InChI%3D1S%2FC7H6BrNO%2Fc8-6-3-1-2-5%284-6%297%289%2910%2Fh1-4H%2C%28H2%2C9%2C10%29,44.08,0.0,1.0,4.0,2.3325,0.1,43.5995,1.0,5.0,193.986996650696,8.1,3.40828402366864,2.0,2.28571428571429
InChI%3D1S%2FC8H6ClNO4%2Fc1-14-8%2811%296-3-2-5%289%294-7%286%2910%2812%2913%2Fh2-4H%2C1H3,72.12,0.0,3.0,6.0,2.558,0.214285714285714,51.6135,1.0,7.0,209.543994903564,12.0714285714286,5.18559556786704,0.0,2.99432892249527
InChI%3D1S%2FC10H24N4%2Fc11-3-1-5-13-7-9-14%2810-8-13%296-2-4-12%2Fh1-12H2,64.16,1.0,6.0,10.0,-1.8278,0.428571428571429,59.378,0.0,11.0,176.137996673584,12.0714285714286,7.3125,4.0,4.88888888888889
InChI%3D1S%2FC10H18O4%2Fc1-3-13-9%2811%297-5-6-8-10%2812%2914-4-2%2Fh3-8H2%2C1-2H3,52.6,0.0,9.0,10.0,1.673,0.692307692307692,51.734,0.0,11.0,184.105995178223,14.0,9.55102040816327,0.0,9.37278106508876
InChI%3D1S%2FC6H4Cl2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H,20.23,0.0,0.0,4.0,2.699,0.0,38.1268,2.0,5.0,158.970995903015,7.11111111111111,2.72222222222222,1.0,1.70414201183432
InChI%3D1S%2FC7H12O%2Fc8-7-4-5-1-2-6%287%293-5%2Fh5-8H%2C1-4H2%2Ft5-%2C6%2B%2C7%2B%2Fm0%2Fs1,20.23,0.0,0.0,3.0,1.1673,0.0,31.4548,0.0,4.0,100.0759973526,4.83950617283951,1.49112426035503,1.0,0.622837370242215
InChI%3D1S%2FC8H19NO%2Fc1-7%282%299%285-6-10%298%283%294%2Fh7-8%2C10H%2C5-6H2%2C1-4H3,24.67,0.0,4.0,4.0,-0.3196,0.444444444444444,45.3215,0.0,5.0,126.093997001648,10.0,4.7603305785124,2.0,3.70247933884298
InChI%3D1S%2FC17H13N%2Fc1-3-8-14%289-4-1%2916-12-7-13-17%2818-16%2915-10-5-2-6-11-15%2Fh1-13H,12.89,1.0,2.0,9.0,4.4156,0.1,75.109,0.0,10.0,218.193994522095,13.005,6.43786982248521,0.0,3.32179930795848
InChI%3D1S%2FC8H19O3PS2%2Fc1-4-10-12%289%2C11-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3,95.94,0.0,9.0,8.0,3.6538,0.692307692307692,66.3155,0.0,9.0,239.192999839783,14.0,8.32,0.0,7.04
InChI%3D1S%2FC5H13N%2Fc1-4%282%295%283%296%2Fh4-5H%2C6H2%2C1-3H3,27.64,0.0,1.0,2.0,0.2728,0.2,29.3221,0.0,3.0,74.0619983673096,6.0,2.22222222222222,1.0,3.0
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%2C1-2H3,52.6,0.0,10.0,12.0,3.6004,0.5,76.823,0.0,13.0,256.171993255615,18.05,10.6875,0.0,6.54934601664685
InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3,0.0,0.0,1.0,4.0,2.81,0.111111111111111,40.531,0.0,5.0,108.098997116089,7.11111111111111,3.2396694214876,0.0,2.0
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,20.23,0.0,0.0,4.0,4.6592,0.0,53.1568,5.0,5.0,265.329993247986,10.0833333333333,3.39506172839506,1.0,1.5625
InChI%3D1S%2FC5H12ClN.ClH%2Fc1-7%282%295-3-4-6%3B%2Fh3-5H2%2C1-2H3%3B1H,4.44,0.0,3.0,4.0,-0.2402,0.5,35.1487,1.0,5.0,109.5149974823,7.0,4.16666666666667,1.0,6.0
InChI%3D1S%2FC10H9NO6%2Fc1-16-9%2812%296-3-4-7%2810%2813%2917-2%298%285-6%2911%2814%2915%2Fh3-5H%2C1-2H3,98.42,0.0,5.0,8.0,1.6912,0.294117647058824,57.943,0.0,9.0,230.110994338989,15.0588235294118,6.80529300567108,0.0,3.72889417360285
InChI%3D1S%2FC5H4BrNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H,33.12,1.0,0.0,3.0,1.5497,0.0,33.6018,1.0,4.0,169.964997291565,6.125,2.52,1.0,1.48760330578512
InChI%3D1S%2FC4H8O%2Fc1-2-3-4-5%2Fh4H%2C2-3H2%2C1H3,17.07,0.0,2.0,3.0,0.9854,0.5,20.972,0.0,4.0,64.0429983139038,5.0,4.0,0.0,4.0
InChI%3D1S%2FC7H4ClNS2%2Fc8-4-1-2-6-5%283-4%299-7%2810%2911-6%2Fh1-3H%2C%28H%2C9%2C10%29,79.93,1.0,0.0,5.0,3.2384,0.0,51.882,1.0,6.0,197.670999526978,7.63888888888889,2.80276816608997,1.0,1.45124716553288
InChI%3D1S%2FC6H3Cl4N%2Fc7-2-1-3%288%295%2810%296%2811%294%282%299%2Fh1H%2C11H2,26.02,0.0,0.0,4.0,3.8824,0.0,50.8944,4.0,5.0,227.884994506836,9.09090909090909,3.1640625,1.0,1.6
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InChI%3D1S%2FC10H17N%2Fc11-10-4-7-1-8%285-10%293-9%282-7%296-10%2Fh7-9H%2C1-6%2C11H2,27.64,0.0,0.0,3.0,1.1971,0.0,45.9251,0.0,4.0,134.116996765137,6.50887573964497,1.83673469387755,1.0,0.877914951989026
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InChI%3D1S%2FC6H5NO%2Fc8-5-6-2-1-3-7-4-6%2Fh1-5H,29.96,1.0,1.0,4.0,0.8941,0.125,29.6245,0.0,5.0,102.071997642517,6.125,3.11111111111111,0.0,1.8
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InChI%3D1S%2FC11H15NO%2Fc1-3-12%284-2%2911-7-5-10%289-13%296-8-11%2Fh5-9H%2C3-4H2%2C1-2H3,20.31,0.0,4.0,7.0,2.3453,0.307692307692308,55.3905,0.0,8.0,162.126996040344,11.0769230769231,5.671875,0.0,3.0
InChI%3D1S%2FC7H3Br2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,44.02,0.0,0.0,5.0,2.78888,0.0,48.2218,2.0,6.0,273.890995979309,9.09090909090909,3.6,1.0,1.97530864197531
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InChI%3D1S%2FC10H10N2O2S%2Fc1-9-2-4-10%285-3-9%2915%2813%2C14%2912-7-6-11-8-12%2Fh2-8H%2C1H3,60.34,1.0,2.0,7.0,2.5093,0.125,56.034,0.0,8.0,212.188997268677,11.484375,4.47258979206049,0.0,2.39714625445898
InChI%3D1S%2FC18H15OP%2Fc19-20%2816-10-4-1-5-11-16%2C17-12-6-2-7-13-17%2918-14-8-3-9-15-18%2Fh1-15H,26.88,0.0,3.0,7.0,3.326,0.136363636363636,85.8345,0.0,8.0,263.170994758606,14.9173553719008,6.84,0.0,3.12244897959184
InChI%3D1S%2FC5H6ClN3%2Fc1-3-2-4%286%299-5%287%298-3%2Fh2H%2C1H3%2C%28H2%2C7%2C8%2C9%29,52.53,1.0,0.0,3.0,0.851,0.0,34.1894,1.0,4.0,137.528997421265,7.11111111111111,2.72222222222222,2.0,2.0
InChI%3D1S%2FC10H15NO2%2Fc12-8-6-11%287-9-13%2910-4-2-1-3-5-10%2Fh1-5%2C12-13H%2C6-9H2,43.7,0.0,5.0,6.0,0.4776,0.384615384615385,52.8266,0.0,7.0,166.114995956421,11.0769230769231,6.45333333333333,2.0,3.7037037037037
InChI%3D1S%2FC8H12O%2Fc1-2-8%289%296-4-3-5-7-8%2Fh1%2C9H%2C3-7H2,20.23,0.0,0.0,4.0,1.3148,0.0,36.8678,0.0,5.0,112.086997032166,7.11111111111111,2.72222222222222,1.0,1.70414201183432
InChI%3D1S%2FC11H16N2%2Fc1-2-4-11%285-3-1%2910-13-8-6-12-7-9-13%2Fh1-5%2C12H%2C6-10H2,21.05,1.0,2.0,7.0,1.7869,0.142857142857143,51.7405,0.0,8.0,160.134996414185,9.55102040816327,5.0242214532872,2.0,3.0
InChI%3D1S%2FC6H4N2O5%2Fc9-6-4%287%2810%2911%292-1-3-5%286%298%2812%2913%2Fh1-3%2C9H,111.87,0.0,2.0,5.0,2.255,0.153846153846154,45.7508,0.0,6.0,180.074995994568,11.0769230769231,4.48148148148148,1.0,2.47933884297521
InChI%3D1S%2FC7H8ClN%2Fc1-5-2-3-7%289%296%288%294-5%2Fh2-4H%2C9H2%2C1H3,26.02,0.0,0.0,4.0,2.2306,0.0,40.6014,1.0,5.0,133.536996841431,7.11111111111111,2.72222222222222,1.0,1.70414201183432
InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh2-3H%2C1H2,17.07,0.0,1.0,2.0,0.3713,0.333333333333333,16.261,0.0,3.0,52.0319986343384,4.0,3.0,0.0,4.0
InChI%3D1S%2FC6H5NO3%2Fc8-6-3-1-5%282-4-6%297%289%2910%2Fh1-4%2C8H,66.05,0.0,1.0,5.0,1.8236,0.1,36.9288,0.0,6.0,134.069996833801,8.1,3.40828402366864,1.0,2.28571428571429
InChI%3D1S%2FC15H10O2%2Fc16-13-10-15%2811-6-2-1-3-7-11%2917-14-9-5-4-8-12%2813%2914%2Fh1-10H,30.21,1.0,1.0,8.0,3.46,0.0526315789473684,67.92,0.0,9.0,212.162994384766,12.0554016620499,5.32544378698225,0.0,2.56
InChI%3D1S%2FC10H18O%2Fc1-9%282%298-4-6-10%283%2C11-9%297-5-8%2Fh8H%2C4-7H2%2C1-3H3,9.23,1.0,0.0,3.0,2.7441,0.0,45.527,0.0,4.0,136.108996391296,7.63888888888889,2.025,0.0,1.11111111111111
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,26.02,0.0,0.0,4.0,1.9222,0.0,35.8644,1.0,5.0,121.525997161865,6.125,2.52,1.0,1.8
InChI%3D1S%2F2C9H13N.H2O4S%2Fc2%2A1-8%2810%297-9-5-3-2-4-6-9%3B1-5%282%2C3%294%2Fh2%2A2-6%2C8H%2C7%2C10H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29,27.64,0.0,2.0,5.0,0.8595,0.2,44.6301,0.0,6.0,122.105997085571,8.1,4.0,1.0,3.11111111111111
InChI%3D1S%2FC7H12O%2Fc1-3-5-6-7%288%294-2%2Fh2%2C7-8H%2C3%2C5-6H2%2C1H3,20.23,0.0,3.0,5.0,1.1707,0.428571428571429,34.3648,0.0,6.0,100.0759973526,8.0,5.14285714285714,1.0,5.0
InChI%3D1S%2FC6H7N%2Fc1-6-4-2-3-5-7-6%2Fh2-5H%2C1H3,12.89,1.0,0.0,3.0,1.39,0.0,28.974,0.0,4.0,86.072998046875,5.14285714285714,2.34375,0.0,1.5
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InChI%3D1S%2FC13H11NO2%2Fc15-12-9-5-4-8-11%2812%2913%2816%2914-10-6-2-1-3-7-10%2Fh1-9%2C15H%2C%28H%2C14%2C16%29,52.82,0.0,2.0,8.0,3.0285,0.117647058823529,63.3746,0.0,9.0,202.147994995117,12.4567474048443,6.07438016528926,2.0,3.49519890260631
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InChI%3D1S%2FC4H5N%2Fc1-2-4-5-3-1%2Fh1-5H,15.79,1.0,0.0,1.0,1.0147,0.0,20.7927,0.0,2.0,62.0509986877441,3.2,1.44,1.0,0.64
InChI%3D1S%2FC7H5ClN2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-3H%2C10H2,49.81,0.0,0.0,4.0,1.79388,0.0,40.5794,1.0,5.0,147.543996810913,8.1,3.40828402366864,1.0,1.99111111111111
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InChI%3D1S%2FC18H15O4P%2Fc19-23%2820-16-10-4-1-5-11-16%2C21-17-12-6-2-7-13-17%2922-18-14-8-3-9-15-18%2Fh1-15H,54.57,0.0,6.0,9.0,5.3315,0.24,88.8165,0.0,10.0,311.167993545532,17.8112,8.90909090909091,0.0,5.78566732412886
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InChI%3D1S%2FC10H22O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-10H2%2C1H3,20.23,0.0,8.0,9.0,3.1194,0.8,49.6958,0.0,10.0,136.108996391296,11.0,10.0,1.0,10.0
InChI%3D1S%2FC9H12O2%2Fc1-7-8%2810-2%295-4-6-9%287%2911-3%2Fh4-6H%2C1-3H3,18.46,0.0,2.0,5.0,2.0122,0.181818181818182,44.283,0.0,6.0,140.096996307373,9.09090909090909,4.13265306122449,0.0,1.97530864197531
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InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-3-2-4-8%2811%295-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,52.82,0.0,1.0,5.0,2.0001,0.0909090909090909,43.5046,0.0,6.0,142.09299659729,9.09090909090909,4.13265306122449,2.0,3.26530612244898
InChI%3D1S%2FC2H3Cl3%2Fc3-1-2%284%295%2Fh2H%2C1H2,0.0,0.0,1.0,2.0,2.0289,0.25,26.214,3.0,3.0,130.380996704102,5.0,2.25,0.0,4.0
InChI%3D1S%2FC9H13N%2Fc1-2-10-8-9-6-4-3-5-7-9%2Fh3-7%2C10H%2C2%2C8H2%2C1H3,16.61,0.0,3.0,6.0,0.7699,0.3,44.7464,0.0,7.0,122.105997085571,8.1,4.7603305785124,1.0,3.11111111111111
InChI%3D1S%2FC10H22O%2Fc1-3-5-7-9-11-10-8-6-4-2%2Fh3-10H2%2C1-2H3,9.23,0.0,8.0,9.0,3.3834,0.8,49.869,0.0,10.0,136.108996391296,11.0,10.0,0.0,10.0
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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%29,41.82,0.0,2.0,7.0,2.7624,0.125,60.5638,0.0,8.0,190.136995315552,11.484375,5.36507936507936,1.0,2.76543209876543
InChI%3D1S%2FC11H22O%2Fc1-3-4-5-6-7-8-9-10-11%282%2912%2Fh3-10H2%2C1-2H3,17.07,0.0,8.0,9.0,3.7161,0.727272727272727,53.291,0.0,10.0,148.119996070862,12.0,9.09090909090909,0.0,11.1111111111111
InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H,0.0,0.0,0.0,3.0,2.34,0.0,31.452,1.0,4.0,107.518997192383,5.14285714285714,2.34375,0.0,1.5
InChI%3D1S%2FC4H6O%2Fc1-3-4%282%295%2Fh1%2C4-5H%2C2H3,20.23,0.0,0.0,2.0,0.0003999999999999,0.0,20.5138,0.0,3.0,64.0429983139038,5.0,2.25,1.0,4.0
InChI%3D1S%2FC6H5ClO%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4%2C8H,20.23,0.0,0.0,4.0,2.0456,0.0,33.1168,1.0,5.0,123.517996788025,6.125,2.52,1.0,1.8
InChI%3D1S%2FC10H11BrO3%2Fc1-13-7-3-4-10%2814-2%298%285-7%299%2812%296-11%2Fh3-5H%2C6H2%2C1-2H3,35.53,0.0,4.0,6.0,2.2814,0.285714285714286,57.6705,1.0,7.0,248.010994911194,12.0714285714286,5.77777777777778,0.0,2.99432892249527
InChI%3D1S%2FC6H4N2O5%2Fc9-6-2-1-4%287%2810%2911%293-5%286%298%2812%2913%2Fh1-3%2C9H,111.87,0.0,2.0,5.0,2.255,0.153846153846154,45.7508,0.0,6.0,180.074995994568,11.0769230769231,4.48148148148148,1.0,2.72108843537415
InChI%3D1S%2FC6H4Cl3N%2Fc7-3-1-2-4%2810%296%289%295%283%298%2Fh1-2H%2C10H2,26.02,0.0,0.0,4.0,3.229,0.0,45.8844,3.0,5.0,192.431995391846,8.1,2.93877551020408,1.0,1.55017301038062
InChI%3D1S%2FC7H9NO%2Fc1-6%289%297-4-3-5-8%287%292%2Fh3-5H%2C1-2H3,22.0,1.0,1.0,3.0,1.2277,0.111111111111111,35.4175,0.0,4.0,114.082997322083,7.11111111111111,2.72222222222222,0.0,1.46938775510204
InChI%3D1S%2FC11H17O4PS2%2Fc1-4-13-16%2817%2C14-5-2%2915-10-6-8-11%289-7-10%2918%283%2912%2Fh6-9H%2C4-5H2%2C1-3H3,105.87,0.0,7.0,9.0,4.6166,0.388888888888889,77.3005,0.0,10.0,291.224998474121,16.0555555555556,7.55555555555556,0.0,5.26748971193416
InChI%3D1S%2FC5H8N4%2Fc1-3-4%282%298-9-5%286%297-3%2Fh1-2H3%2C%28H2%2C6%2C7%2C9%29,65.42,1.0,0.0,4.0,-0.0989999999999998,0.0,31.7114,0.0,5.0,116.082998275757,7.11111111111111,2.72222222222222,2.0,1.70414201183432
InChI%3D1S%2FC5H5BrN2%2Fc6-4-1-2-5%287%298-3-4%2Fh1-3H%2C%28H2%2C7%2C8%29,39.64,1.0,0.0,4.0,1.2567,0.0,34.3474,1.0,5.0,167.972997665405,6.125,2.52,2.0,1.8
InChI%3D1S%2FC9H20O%2Fc1-2-3-4-5-6-7-8-9-10%2Fh10H%2C2-9H2%2C1H3,20.23,0.0,7.0,8.0,2.7293,0.777777777777778,45.0788,0.0,9.0,124.097996711731,10.0,9.0,1.0,9.14285714285714
InChI%3D1S%2FC7H15NO%2Fc1-6%287%282%299%295-8%283%294%2Fh6H%2C5H2%2C1-4H3,21.51,0.0,3.0,4.0,-0.644,0.375,39.6567,0.0,5.0,114.082997322083,9.0,3.92,1.0,4.5
InChI%3D1S%2FC10H21N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3,4.44,0.0,3.0,5.0,1.2438,0.272727272727273,51.0517,0.0,6.0,134.116996765137,9.09090909090909,4.79289940828402,1.0,2.5
InChI%3D1S%2FC8H8O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-4H%2C5-6H2,9.23,1.0,0.0,3.0,1.6215,0.0,35.641,0.0,4.0,112.086997032166,5.76,2.31952662721893,0.0,0.996539792387543
InChI%3D1S%2FC5H10O2%2Fc1-3-4-7-5%282%296%2Fh3-4H2%2C1-2H3,26.3,0.0,3.0,4.0,0.9595,0.5,26.924,0.0,5.0,92.0529975891113,7.0,4.16666666666667,0.0,6.0
InChI%3D1S%2FC6H14S2%2Fc1-3-5-7-8-6-4-2%2Fh3-6H2%2C1-2H3,50.6,0.0,5.0,6.0,3.1878,0.714285714285714,45.498,0.0,7.0,136.200000762939,8.0,7.0,0.0,7.2
InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,20.23,0.0,0.0,4.0,3.3524,0.0,43.1368,3.0,5.0,194.423995018005,8.1,2.93877551020408,1.0,1.75
InChI%3D1S%2FC9H21N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh4-9H2%2C1-3H3,4.44,0.0,6.0,5.0,1.1013,0.666666666666667,48.5707,0.0,6.0,122.105997085571,10.0,7.11111111111111,1.0,5.53086419753086
InChI%3D1S%2FC8H10N4O2%2Fc1-10-4-9-6-5%2810%297%2813%2912%283%298%2814%2911%286%292%2Fh4H%2C1-3H3,61.82,2.0,0.0,5.0,-1.0293,0.0,51.196,0.0,6.0,184.113996505737,10.5155555555556,3.53875236294896,0.0,1.45454545454545
InChI%3D1S%2FC4H12N.ClH%2Fc1-5%282%2C3%294%3B%2Fh1-4H3%3B1H%2Fq%2B1%3B%2Fp-1,0.0,0.0,0.0,1.0,0.3224,0.0,23.9564,0.0,2.0,62.0509986877441,5.0,1.0,0.0,0.0
InChI%3D1S%2FC9H13N%2Fc1-10%282%298-9-6-4-3-5-7-9%2Fh3-7H%2C8H2%2C1-2H3,4.44,0.0,2.0,5.0,0.3311,0.2,45.0907,0.0,6.0,122.105997085571,8.1,4.0,1.0,3.11111111111111
InChI%3D1S%2FC6H9NO%2Fc1-4-5%282%298-6%283%297-4%2Fh1-3H3,26.03,1.0,0.0,3.0,1.5998,0.0,30.714,0.0,4.0,102.071997642517,6.125,2.08264462809917,0.0,1.25
InChI%3D1S%2FC12H12N2%2Fc1%2811-3-7-13-8-4-11%292-12-5-9-14-10-6-12%2Fh3-10H%2C1-2H2,25.78,2.0,3.0,8.0,2.2618,0.2,55.882,0.0,9.0,172.14599609375,10.5155555555556,5.77777777777778,0.0,3.59183673469388
InChI%3D1S%2FC7H10O2%2Fc1-4-5-9-7%288%296%282%293%2Fh4H%2C1-2%2C5H2%2C3H3,26.3,0.0,4.0,5.0,1.2917,0.5,35.97,0.0,6.0,116.074996948242,9.0,4.83950617283951,0.0,4.5
InChI%3D1S%2FC20H28O2%2Fc1-13%282%2914-6-8-16-15%2812-14%297-9-17-19%2816%2C3%2910-5-11-20%2817%2C4%2918%2821%2922%2Fh6%2C8%2C12-13%2C17H%2C5%2C7%2C9-11H2%2C1-4H3%2C%28H%2C21%2C22%29%2Ft17-%2C19-%2C20-%2Fm1%2Fs1,40.13,0.0,2.0,9.0,3.5702,0.0833333333333333,87.3455,0.0,10.0,272.217992782593,16.84375,5.81717451523546,0.0,2.60631001371742
InChI%3D1S%2FC5H12N2%2Fc1-7-4-2-6-3-5-7%2Fh6H%2C2-5H2%2C1H3,21.05,1.0,0.0,3.0,0.2165,0.0,27.5185,0.0,4.0,88.068998336792,5.14285714285714,2.34375,2.0,1.5
InChI%3D1S%2FC3H6O%2Fc1-2-3-4%2Fh2%2C4H%2C1%2C3H2,20.23,0.0,1.0,2.0,0.1647,0.333333333333333,17.2828,0.0,3.0,52.0319986343384,4.0,3.0,1.0,4.0
InChI%3D1S%2FC6H4N2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H,36.68,1.0,0.0,4.0,0.95328,0.0,28.952,0.0,5.0,100.079998016357,6.125,3.11111111111111,0.0,1.8
InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H,17.07,0.0,1.0,4.0,1.4991,0.125,31.8295,0.0,5.0,100.0759973526,6.125,3.11111111111111,0.0,1.8
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%29,55.12,1.0,2.0,6.0,1.9908,0.142857142857143,57.6008,1.0,7.0,248.014995574951,12.0714285714286,4.68,1.0,2.34319526627219
InChI%3D1S%2FC6H12O%2Fc1-5%282%294-6%283%297%2Fh5H%2C4H2%2C1-3H3,17.07,0.0,2.0,3.0,1.6215,0.333333333333333,30.136,0.0,4.0,88.0649976730347,7.0,3.06122448979592,0.0,6.0
InChI%3D1S%2FC7H10N2%2Fc1-9%282%297-5-3-4-6-8-7%2Fh3-6H%2C1-2H3,16.13,1.0,1.0,4.0,1.1476,0.111111111111111,38.564,0.0,5.0,112.090997695923,7.11111111111111,3.2396694214876,0.0,2.0
InChI%3D1S%2FC13H10ClNO%2Fc14-10-7-5-9%286-8-10%2913%2816%2911-3-1-2-4-12%2811%2915%2Fh1-8H%2C15H2,43.09,0.0,2.0,8.0,3.1532,0.117647058823529,65.7389,1.0,9.0,221.601994514465,12.4567474048443,5.55765595463138,1.0,3.02972651605232
InChI%3D1S%2FC8H8O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-6H%2C1H3,17.07,0.0,1.0,4.0,1.8892,0.111111111111111,36.4465,0.0,5.0,112.086997032166,7.11111111111111,3.2396694214876,0.0,2.0
InChI%3D1S%2FC8H18S%2Fc1-3-5-7-9-8-6-4-2%2Fh3-8H2%2C1-2H3,25.3,0.0,6.0,7.0,3.3198,0.75,47.141,0.0,8.0,128.154998779297,9.0,8.0,0.0,8.0
InChI%3D1S%2FC10H18O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7-8%2C11H%2C4-6H2%2C1-3H3%2Ft7-%2C8%2B%2C10%2B%2Fm0%2Fs1,20.23,0.0,0.0,3.0,2.1935,0.0,45.2358,0.0,4.0,136.108996391296,7.63888888888889,1.83673469387755,1.0,0.665972944849116
InChI%3D1S%2FC6H12O%2Fc1-3-4-6%282%295-7%2Fh5-6H%2C3-4H2%2C1-2H3,17.07,0.0,3.0,4.0,1.6215,0.5,30.136,0.0,5.0,88.0649976730347,7.0,4.16666666666667,0.0,3.84
InChI%3D1S%2FC8H18O%2Fc1-3-5-7-9-8-6-4-2%2Fh3-8H2%2C1-2H3,9.23,0.0,6.0,7.0,2.6032,0.75,40.635,0.0,8.0,112.086997032166,9.0,8.0,0.0,8.0
InChI%3D1S%2FC8H9NO2%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3%2C%28H2%2C9%2C10%29,53.31,0.0,2.0,4.0,1.5786,0.181818181818182,42.4515,0.0,5.0,142.09299659729,9.09090909090909,4.13265306122449,2.0,2.21453287197232
InChI%3D1S%2FC11H17NO%2Fc1-3-12%287-8-13%2911-6-4-5-10%282%299-11%2Fh4-6%2C9%2C13H%2C3%2C7-8H2%2C1-2H3,23.47,0.0,4.0,6.0,1.8136,0.307692307692308,56.1518,0.0,7.0,162.126996040344,11.0769230769231,5.671875,1.0,3.32409972299169
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InChI%3D1S%2FC12H10O2%2Fc13-10-6-8-12%289-7-10%2914-11-4-2-1-3-5-11%2Fh1-9%2C13H,29.46,0.0,2.0,8.0,3.1845,0.133333333333333,54.6228,0.0,9.0,176.129995346069,10.5155555555556,5.18559556786704,1.0,3.27272727272727
InChI%3D1S%2FC6H10O%2Fc7-6-4-2-1-3-5-6%2Fh1-5H2,17.07,0.0,0.0,3.0,1.5196,0.0,28.092,0.0,4.0,88.0649976730347,5.14285714285714,2.34375,0.0,1.5
InChI%3D1S%2FC6H13Br%2Fc1-2-3-4-5-6-7%2Fh2-6H2%2C1H3,0.0,0.0,4.0,5.0,2.9616,0.666666666666667,37.936,1.0,6.0,151.969997406006,7.0,6.0,0.0,6.0
InChI%3D1S%2FC7H14O%2Fc1-6%282%294-5-7%283%298%2Fh6H%2C4-5H2%2C1-3H3,17.07,0.0,3.0,4.0,2.0116,0.428571428571429,34.753,0.0,5.0,100.0759973526,8.0,3.9375,0.0,7.2
InChI%3D1S%2FC9H19NO%2Fc1-4-10%285-2%298-6-7-9%283%2911%2Fh4-8H2%2C1-3H3,21.51,0.0,6.0,6.0,0.2803,0.6,48.9607,0.0,7.0,138.104996681213,11.0,6.69421487603306,1.0,6.4
InChI%3D1S%2FC14H23N%2Fc1-2-3-4-5-6-7-8-13-9-11-14%2815%2912-10-13%2Fh9-12H%2C2-8%2C15H2%2C1H3,26.02,0.0,7.0,11.0,4.1718,0.466666666666667,67.9344,0.0,12.0,182.160995483398,13.0666666666667,8.18685121107266,1.0,6.22222222222222
InChI%3D1S%2F2C21H22N2O2.H2O4S%2Fc2%2A24-18-10-16-19-13-9-17-21%286-7-22%2817%2911-12%2813%295-8-25-16%2914-3-1-2-4-15%2814%2923%2818%2920%2819%2921%3B1-5%282%2C3%294%2Fh2%2A1-5%2C13%2C16-17%2C19-20H%2C6-11H2%3B%28H2%2C1%2C2%2C3%2C4%29%2Ft2%2A13-%2C16-%2C17-%2C19%3F%2C20-%2C21%2B%3B%2Fm00.%2Fs1,33.98,5.0,0.0,7.0,2.3096,0.0,88.9521,0.0,8.0,312.242992401123,14.9843912591051,4.88119953863898,1.0,1.6077508650519
InChI%3D1S%2FC10H12O4%2Fc1-12-8-5-10%2814-3%299%2813-2%294-7%288%296-11%2Fh4-6H%2C1-3H3,44.76,0.0,4.0,6.0,1.5249,0.285714285714286,51.4855,0.0,7.0,184.105995178223,12.0714285714286,5.77777777777778,0.0,2.75
InChI%3D1S%2FC10H18O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-7%2C10H2%2C1H3,20.23,0.0,5.0,9.0,2.3426,0.5,48.2378,0.0,10.0,136.108996391296,11.0,10.0,1.0,10.0
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InChI%3D1S%2FC7H7F%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C1H3,0.0,0.0,0.0,3.0,2.1341,0.0,31.137,1.0,4.0,103.074996948242,6.125,2.52,0.0,1.48760330578512
InChI%3D1S%2FC6H5Cl2N%2Fc7-5-2-1-4%289%293-6%285%298%2Fh1-3H%2C9H2,26.02,0.0,0.0,4.0,2.5756,0.0,40.8744,2.0,5.0,156.978996276855,7.11111111111111,2.72222222222222,1.0,1.70414201183432
InChI%3D1S%2FC8H6ClNO3%2Fc1-5%2811%296-2-3-7%289%298%284-6%2910%2812%2913%2Fh2-4H%2C1H3,62.89,0.0,2.0,5.0,2.974,0.153846153846154,50.2785,1.0,6.0,193.544995307922,11.0769230769231,4.48148148148148,0.0,2.72108843537415
InChI%3D1S%2FC6H5N3O4%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2812%2913%2Fh1-3H%2C7H2,117.66,0.0,2.0,5.0,2.1316,0.153846153846154,48.4984,0.0,6.0,178.082996368408,11.0769230769231,4.48148148148148,1.0,2.72108843537415
InChI%3D1S%2FC2H3F3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2,20.23,0.0,1.0,2.0,0.541,0.2,13.1408,3.0,3.0,97.0149965286255,6.0,1.63265306122449,1.0,5.33333333333333
InChI%3D1S%2FC6H10O3%2Fc1-3-6%288%299-4-5%282%297%2Fh3%2C5%2C7H%2C1%2C4H2%2C2H3,46.53,0.0,4.0,5.0,0.0963999999999998,0.5,32.8368,0.0,6.0,120.062996864319,9.0,4.83950617283951,1.0,5.87755102040816
InChI%3D1S%2FC9H21N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-10H2%2C1H3,27.64,0.0,7.0,8.0,1.9789,0.777777777777778,47.8821,0.0,9.0,122.105997085571,10.0,9.0,1.0,9.14285714285714
InChI%3D1S%2FC7HF5O%2Fc8-3-2%281-13%294%289%296%2811%297%2812%295%283%2910%2Fh1H,17.07,0.0,1.0,5.0,2.1946,0.0769230769230769,31.6195,5.0,6.0,195.065993309021,11.0769230769231,4.02216066481994,0.0,1.77514792899408
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh6H%2C2-5H2%2C1H3,17.07,0.0,4.0,5.0,1.7656,0.666666666666667,30.206,0.0,6.0,88.0649976730347,7.0,6.0,0.0,6.0
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%29,51.05,1.0,2.0,7.0,2.3227,0.117647058823529,61.4688,0.0,8.0,206.135994911194,12.4567474048443,4.704,1.0,2.83111111111111
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3,32.59,0.0,1.0,3.0,1.2465,0.2,25.1865,0.0,4.0,78.0499982833862,6.0,3.2,1.0,3.0
InChI%3D1S%2FC8H10O2%2Fc1-9-7-3-5-8%2810-2%296-4-7%2Fh3-6H%2C1-2H3,18.46,0.0,2.0,6.0,1.7038,0.2,39.546,0.0,7.0,128.085996627808,8.1,4.0,0.0,2.28571428571429
InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3,17.07,0.0,0.0,1.0,0.2052,0.0,11.738,0.0,2.0,40.0209989547729,3.0,2.0,0.0,0.0
InChI%3D1S%2FC9H9N%2Fc1-7-6-10-9-5-3-2-4-8%287%299%2Fh2-6%2C10H%2C1H3,15.79,1.0,0.0,4.0,2.4763,0.0,43.0357,0.0,5.0,122.105997085571,6.69421487603306,2.56,1.0,1.12
InChI%3D1S%2FC3H9NO%2Fc1-5-3-2-4%2Fh2-4H2%2C1H3,36.87,0.0,2.0,3.0,-1.1253,0.5,21.7651,0.0,4.0,66.0389986038208,5.0,4.0,1.0,4.0
InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3,3.24,0.0,1.0,4.0,1.7526,0.111111111111111,40.769,0.0,5.0,110.094997406006,7.11111111111111,3.2396694214876,0.0,2.0
InChI%3D1S%2FC6H8O%2Fc1-5-3-4-6%282%297-5%2Fh3-4H%2C1-2H3,13.14,1.0,0.0,3.0,1.8964,0.0,28.182,0.0,4.0,88.0649976730347,5.14285714285714,1.85185185185185,0.0,1.18518518518519
InChI%3D1S%2FC12H10%2Fc1-3-9-4-2-6-11-8-7-10%285-1%2912%289%2911%2Fh1-6H%2C7-8H2,0.0,0.0,0.0,4.0,2.9384,0.0,51.356,0.0,5.0,144.131996154785,7.40816326530612,2.75,0.0,1.07015457788347
InChI%3D1S%2FC5H13N%2Fc1-5%282%2C3%294-6%2Fh4%2C6H2%2C1-3H3,27.64,0.0,1.0,2.0,0.2744,0.2,29.3441,0.0,3.0,74.0619983673096,6.0,1.63265306122449,1.0,5.33333333333333
InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%297%282%295-6%2Fh3-5%2C9H%2C1-2H3,20.23,0.0,0.0,4.0,2.009,0.0,37.5808,0.0,5.0,112.086997032166,7.11111111111111,2.72222222222222,1.0,1.70414201183432
InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3,0.0,0.0,1.0,2.0,1.8525,0.25,26.035,2.0,3.0,106.938997268677,5.0,2.25,0.0,4.0
InChI%3D1S%2FC6H7N%2Fc1-6-2-4-7-5-3-6%2Fh2-5H%2C1H3,12.89,1.0,0.0,3.0,1.39,0.0,28.974,0.0,4.0,86.072998046875,5.14285714285714,2.34375,0.0,1.5
InChI%3D1S%2FC4H6O2%2Fc5-3-1-2-4-6%2Fh5-6H%2C3-4H2,40.46,0.0,0.0,4.0,-1.0256,0.0,21.9476,0.0,5.0,80.0419979095459,6.0,5.0,2.0,5.33333333333333
InChI%3D1S%2FC5H10O%2Fc1-3-4-5%282%296%2Fh3-4H2%2C1-2H3,17.07,0.0,2.0,3.0,1.3755,0.4,25.589,0.0,4.0,76.0539979934692,6.0,3.2,0.0,5.33333333333333
InChI%3D1S%2FC9H11NO%2Fc1-10%282%299-5-3-8%287-11%294-6-9%2Fh3-7H%2C1-2H3,20.31,0.0,2.0,6.0,1.5651,0.181818181818182,46.1565,0.0,7.0,138.104996681213,9.09090909090909,4.13265306122449,0.0,2.5
InChI%3D1S%2FC3H2F6O%2Fc4-2%285%2C6%291%2810%293%287%2C8%299%2Fh1%2C10H,20.23,0.0,2.0,3.0,1.4719,0.222222222222222,18.1168,6.0,4.0,166.019993782043,10.0,2.56,1.0,3.11111111111111
InChI%3D1S%2FC8H6Br4%2Fc9-7%2810%295-3-1-2-4-6%285%298%2811%2912%2Fh1-4%2C7-8H,0.0,0.0,2.0,4.0,5.2634,0.166666666666667,67.632,4.0,5.0,415.703994750977,10.0833333333333,4.296875,0.0,2.49307479224377
InChI%3D1S%2FC10H10O2%2Fc1-8%2811%297-10%2812%299-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3,34.14,0.0,3.0,6.0,1.8484,0.25,46.0705,0.0,7.0,152.107995986938,10.0833333333333,4.88888888888889,0.0,3.515625
InChI%3D1S%2FC6H6ClN%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C8H2,26.02,0.0,0.0,3.0,1.9222,0.0,35.8644,1.0,4.0,121.525997161865,6.125,2.52,1.0,1.48760330578512
InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%2811%295%289%296%2810%294%282%298%2Fh1%2C11H,20.23,0.0,0.0,4.0,4.0058,0.0,48.1468,4.0,5.0,229.876994132996,9.09090909090909,3.1640625,1.0,1.6
InChI%3D1S%2FC6H12N2%2Fc1-2-8-5-3-7%281%294-6-8%2Fh1-6H2,8.88,2.0,0.0,2.0,-0.0782,0.0,30.3658,0.0,3.0,100.079998016357,4.83950617283951,1.75,2.0,0.8
InChI%3D1S%2FC6HCl3N2O4%2Fc7-2-1-3%288%296%2811%2814%2915%294%289%295%282%2910%2812%2913%2Fh1H,91.64,0.0,2.0,5.0,4.5096,0.133333333333333,59.116,3.0,6.0,270.434993743896,13.0666666666667,4.88842975206612,0.0,2.57142857142857
InChI%3D1S%2FC14H14OS%2Fc15-16%2811-13-7-3-1-4-8-13%2912-14-9-5-2-6-10-14%2Fh1-10H%2C11-12H2,36.28,0.0,4.0,9.0,4.0012,0.235294117647059,68.5695,0.0,10.0,216.219996452332,12.4567474048443,6.66666666666667,0.0,4.42361111111111
InChI%3D1S%2FC8H6Cl2O2%2Fc1-12-8%2811%296-4-5%289%292-3-7%286%2910%2Fh2-4H%2C1H3,26.3,0.0,2.0,5.0,2.78,0.166666666666667,47.8015,2.0,6.0,198.991994857788,10.0833333333333,4.296875,0.0,2.49307479224377
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%2C1-3H3,29.54,0.0,7.0,6.0,2.9871,0.388888888888889,75.28,1.0,7.0,249.611993789673,16.0555555555556,8.22684310018904,0.0,3.99583766909469
InChI%3D1S%2FC9H14N.CH4O4S%2Fc1-10%282%2C3%299-7-5-4-6-8-9%3B1-5-6%282%2C3%294%2Fh4-8H%2C1-3H3%3B1H3%2C%28H%2C2%2C3%2C4%29%2Fq%2B1%3B%2Fp-1,0.0,0.0,1.0,4.0,1.8833,0.1,46.008,0.0,5.0,122.105997085571,8.1,2.93877551020408,0.0,2.28571428571429
InChI%3D1S%2FC6H3I3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,20.23,0.0,0.0,4.0,3.206,0.0,66.2578,3.0,5.0,468.776995658875,8.1,2.93877551020408,1.0,1.75
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,0.0,0.0,1.0,2.0,1.464,0.333333333333333,21.44,2.0,3.0,94.9279975891113,4.0,3.0,0.0,4.0
InChI%3D1S%2FC9H10O2%2Fc1-2-11-9-5-3-8%287-10%294-6-9%2Fh3-7H%2C2H2%2C1H3,26.3,0.0,3.0,7.0,1.8978,0.272727272727273,42.9985,0.0,8.0,140.096996307373,9.09090909090909,4.79289940828402,0.0,2.84444444444444
InChI%3D1S%2FC12H10OS%2Fc13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,36.28,0.0,2.0,7.0,3.719,0.133333333333333,57.6935,0.0,8.0,192.197997093201,10.5155555555556,5.18559556786704,0.0,2.75
InChI%3D1S%2FC5H12O%2Fc1-2-3-4-5-6%2Fh6H%2C2-5H2%2C1H3,20.23,0.0,3.0,4.0,1.1689,0.6,26.6108,0.0,5.0,76.0539979934692,6.0,5.0,1.0,5.33333333333333
InChI%3D1S%2FC6H6FN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,26.02,0.0,0.0,4.0,1.4079,0.0,30.8124,1.0,5.0,105.070997238159,6.125,2.52,1.0,1.8
InChI%3D1S%2FC5H8O3%2Fc1-2-5%287%298-4-3-6%2Fh2%2C6H%2C1%2C3-4H2,46.53,0.0,4.0,5.0,-0.2921,0.571428571428571,28.2418,0.0,6.0,108.051997184753,8.0,5.14285714285714,1.0,5.0
InChI%3D1S%2FC6H2F5N%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H2,26.02,0.0,0.0,4.0,1.9643,0.0,30.6444,5.0,5.0,181.062994003296,10.0833333333333,3.39506172839506,1.0,1.5625
InChI%3D1S%2FC12H18N2O3.Na%2Fc1-4-6-8%283%2912%287-5-2%299%2815%2913-11%2817%2914-10%2812%2916%3B%2Fh5%2C8H%2C2%2C4%2C6-7H2%2C1%2C3H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29%3B%2Fq%3B%2B1%2Fp-1,85.08,1.0,5.0,7.0,1.7754,0.294117647058824,59.2827,0.0,8.0,220.142994880676,15.0588235294118,6.25,1.0,2.87970615243343
InChI%3D1S%2FC13H10Cl2O2%2Fc14-10-1-3-12%2816%298%286-10%295-9-7-11%2815%292-4-13%289%2917%2Fh1-4%2C6-7%2C16-17H%2C5H2,40.46,0.0,2.0,7.0,3.9954,0.111111111111111,69.0396,2.0,8.0,259.046993255615,13.4320987654321,5.76,2.0,3.48444444444444
InChI%3D1S%2FC9H18O%2Fc1-3-5-7-9%2810%298-6-4-2%2Fh3-8H2%2C1-2H3,17.07,0.0,6.0,7.0,2.9359,0.666666666666667,44.057,0.0,8.0,124.097996711731,10.0,7.11111111111111,0.0,7.0
InChI%3D1S%2FC7H11ClO4%2Fc1-3-11-6%289%295%288%297%2810%2912-4-2%2Fh5H%2C3-4H2%2C1-2H3,52.6,0.0,6.0,7.0,0.72,0.545454545454545,42.907,1.0,8.0,183.525995254517,12.0,6.50887573964497,0.0,4.59183673469388
InChI%3D1S%2F2C4H7Cl3O.H2O%2Fc2%2A1-3%282%2C8%294%285%2C6%297%3B%2Fh2%2A8H%2C1-2H3%3B1H2,20.23,0.0,1.0,2.0,2.1275,0.142857142857143,36.5878,3.0,3.0,170.401995658875,8.0,1.75,1.0,2.22222222222222
InChI%3D1S%2FC12H8ClNO3%2Fc13-9-5-7-10%288-6-9%2917-12-4-2-1-3-11%2812%2914%2815%2916%2Fh1-8H,55.05,0.0,3.0,8.0,4.5637,0.166666666666667,66.79,1.0,9.0,241.588994026184,13.4320987654321,6.25,0.0,3.72889417360285
InChI%3D1S%2FC6H12O%2Fc1-3-5-6%287%294-2%2Fh4%2C6-7H%2C2-3%2C5H2%2C1H3,20.23,0.0,3.0,4.0,1.3334,0.5,31.1118,0.0,5.0,88.0649976730347,7.0,4.16666666666667,1.0,3.84
InChI%3D1S%2FC5Cl5N%2Fc6-1-2%287%294%289%2911-5%2810%293%281%298,12.89,1.0,0.0,4.0,4.3486,0.0,49.287,5.0,5.0,251.326993942261,9.09090909090909,3.1640625,0.0,1.6
InChI%3D1S%2FC12H27N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-13H2%2C1H3,27.64,0.0,10.0,11.0,3.1492,0.833333333333333,61.7331,0.0,12.0,158.138996124268,13.0,12.0,1.0,12.0
InChI%3D1S%2FC7H6Cl2O2%2Fc1-11-7-3-5%289%294%288%292-6%287%2910%2Fh2-3%2C10H%2C1H3,29.46,0.0,1.0,5.0,2.7076,0.0909090909090909,44.6788,2.0,6.0,186.980995178223,9.09090909090909,3.6,1.0,1.97530864197531
InChI%3D1S%2FC8H14O3%2Fc1-4-10-5-6-11-8%289%297%282%293%2Fh2%2C4-6H2%2C1%2C3H3,35.53,0.0,6.0,7.0,1.1422,0.6,42.266,0.0,8.0,144.08499622345,11.0,6.69421487603306,0.0,6.4
InChI%3D1S%2FC10H15BrO%2Fc1-9%282%296-4-5-10%289%2C3%298%2812%297%286%2911%2Fh6-7H%2C4-5H2%2C1-3H3,17.07,0.0,0.0,3.0,2.7751,0.0,52.334,1.0,4.0,216.01299571991,8.59171597633136,2.07939508506616,0.0,0.73469387755102
InChI%3D1S%2FC6H11BrO%2Fc7-5-6-3-1-2-4-8-6%2Fh6H%2C1-5H2,9.23,1.0,1.0,4.0,1.9504,0.125,37.385,1.0,5.0,167.968997001648,6.125,3.11111111111111,0.0,1.8
InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3,29.26,0.0,0.0,1.0,-0.5783,0.0,17.8744,0.0,2.0,52.0359992980957,4.0,1.33333333333333,1.0,0.0
InChI%3D1S%2FC10H10O%2Fc1-3-10%282%2C11%299-7-5-4-6-8-9%2Fh1%2C4-8%2C11H%2C2H3,20.23,0.0,1.0,5.0,1.5273,0.0909090909090909,44.8458,0.0,6.0,136.108996391296,9.09090909090909,3.6,1.0,2.21453287197232
InChI%3D1S%2FC12H22O4%2Fc1-3-5-9-15-11%2813%297-8-12%2814%2916-10-6-4-2%2Fh3-10H2%2C1-2H3,52.6,0.0,11.0,12.0,2.4532,0.733333333333333,60.968,0.0,13.0,208.127994537354,16.0,11.484375,0.0,11.3244444444444
InChI%3D1S%2FC13H10O2%2Fc14-10-11-6-8-13%289-7-11%2915-12-4-2-1-3-5-12%2Fh1-10H,26.3,0.0,3.0,9.0,3.2914,0.1875,58.3455,0.0,10.0,188.140995025635,11.484375,5.915,0.0,3.5
InChI%3D1S%2FC9H18O2%2Fc1-2-3-4-5-6-7-8-9%2810%2911%2Fh2-8H2%2C1H3%2C%28H%2C10%2C11%29,40.13,0.0,7.0,8.0,1.4869,0.7,43.6865,0.0,9.0,140.096996307373,11.0,8.1,0.0,10.0
InChI%3D1S%2FC5H12N2%2Fc1-5-4-6-2-3-7-5%2Fh5-7H%2C2-4H2%2C1H3,33.22,1.0,0.0,3.0,0.6537,0.0,27.1522,0.0,4.0,88.068998336792,5.14285714285714,2.34375,2.0,1.5
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3,29.46,0.0,1.0,5.0,1.4008,0.111111111111111,34.6588,0.0,6.0,116.074996948242,7.11111111111111,3.2396694214876,1.0,2.0
InChI%3D1S%2FC13H11NO%2Fc15-11-14%2812-7-3-1-4-8-12%2913-9-5-2-6-10-13%2Fh1-11H,20.31,0.0,3.0,7.0,2.9811,0.1875,61.087,0.0,8.0,186.148995399475,11.484375,5.915,0.0,2.98224852071006
InChI%3D1S%2FC6H13NO2%2Fc8-4-1-7-2-5-9-6-3-7%2Fh8H%2C1-6H2,33.9,1.0,2.0,5.0,-0.537,0.222222222222222,33.0877,0.0,6.0,118.070997238159,7.11111111111111,3.92,2.0,2.3801652892562
InChI%3D1S%2FC4H11N%2Fc1-3-5-4-2%2Fh5H%2C3-4H2%2C1-2H3,16.61,0.0,2.0,3.0,-0.4104,0.5,25.1414,0.0,4.0,62.0509986877441,5.0,4.0,1.0,4.0
InChI%3D1S%2FC3H7ClO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2H2%2C1H3,20.23,0.0,1.0,2.0,0.606,0.25,22.4008,1.0,3.0,87.4849977493286,5.0,2.25,1.0,4.0
InChI%3D1S%2FC11H13NO%2Fc1-12%282%2911-7-5-10%286-8-11%294-3-9-13%2Fh3-9H%2C1-2H3%2Fb4-3-,20.31,0.0,3.0,8.0,1.9647,0.230769230769231,55.867,0.0,9.0,162.126996040344,11.0769230769231,5.671875,0.0,3.7037037037037
InChI%3D1S%2FC9H17N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-8H2%2C1H3,23.79,0.0,6.0,8.0,3.26058,0.666666666666667,43.606,0.0,9.0,122.105997085571,10.0,9.0,0.0,9.14285714285714
InChI%3D1S%2FC6H10Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh5-6H%2C1-4H2%2Ft5-%2C6%3F%2Fm1%2Fs1,0.0,0.0,0.0,3.0,2.7752,0.0,37.75,2.0,4.0,142.971996307373,6.125,2.52,0.0,1.48760330578512
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,52.82,0.0,1.0,6.0,2.0001,0.0909090909090909,43.5046,0.0,7.0,142.09299659729,9.09090909090909,4.13265306122449,2.0,3.26530612244898
InChI%3D1S%2FC5H10Cl2%2Fc6-4-2-1-3-5-7%2Fh1-5H2,0.0,0.0,4.0,5.0,2.6343,0.666666666666667,35.291,2.0,6.0,130.960996627808,7.0,6.0,0.0,6.0
InChI%3D1S%2FC4H6Cl2%2Fc1-2-4%286%293-5%2Fh2%2C4H%2C1%2C3H2,0.0,0.0,2.0,3.0,2.0186,0.4,30.558,2.0,4.0,118.949996948242,6.0,3.2,0.0,3.0
InChI%3D1S%2FC5H4ClNO%2Fc6-4-1-2-5%288%297-3-4%2Fh1-3H%2C%28H%2C7%2C8%29,33.12,1.0,0.0,4.0,1.4406,0.0,30.9118,1.0,5.0,125.513997077942,6.125,2.52,1.0,1.8
InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh1%2C5H%2C3-4H2,20.23,0.0,1.0,3.0,0.00199999999999995,0.25,20.5358,0.0,4.0,64.0429983139038,5.0,4.0,1.0,4.0
InChI%3D1S%2FC6H6ClN%2Fc1-5-3-2-4-6%287%298-5%2Fh2-4H%2C1H3,12.89,1.0,0.0,3.0,2.0434,0.0,33.984,1.0,4.0,121.525997161865,6.125,2.52,0.0,1.8
InChI%3D1S%2FC9H7N%2Fc1-2-6-9-8%284-1%295-3-7-10-9%2Fh1-7H,12.89,1.0,0.0,4.0,2.2348,0.0,41.743,0.0,5.0,122.105997085571,6.69421487603306,2.93877551020408,0.0,1.38271604938272
InChI%3D1S%2FC10H14O%2Fc1-10%282%2C3%298-4-6-9%2811%297-5-8%2Fh4-7%2C11H%2C1-3H3,20.23,0.0,1.0,5.0,2.6897,0.0909090909090909,46.8068,0.0,6.0,136.108996391296,9.09090909090909,3.1640625,1.0,2.5
InChI%3D1S%2FC6H12O3%2Fc1-3-8-4-5-9-6%282%297%2Fh3-5H2%2C1-2H3,35.53,0.0,5.0,6.0,0.586,0.625,33.126,0.0,7.0,120.062996864319,9.0,6.125,0.0,8.0
InChI%3D1S%2FC7H8N2O%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H2%2C9%2C10%29,70.1,0.0,1.0,4.0,1.1522,0.1,40.3119,0.0,5.0,128.089997291565,8.1,3.40828402366864,3.0,1.99111111111111
InChI%3D1S%2FC11H17O3P%2Fc1-3-13-15%2812%2C14-4-2%2910-11-8-6-5-7-9-11%2Fh5-9H%2C3-4%2C10H2%2C1-2H3,45.34,0.0,6.0,7.0,3.4527,0.4,61.0045,0.0,8.0,211.091996192932,13.0666666666667,6.55401662049861,0.0,4.57142857142857
InChI%3D1S%2FC6H14O%2Fc1-5%282%297-6%283%294%2Fh5-6H%2C1-4H3,9.23,0.0,2.0,3.0,1.8198,0.333333333333333,31.357,0.0,4.0,88.0649976730347,7.0,3.06122448979592,0.0,6.0
InChI%3D1S%2FC7H7NO2.ClH%2Fc9-7%2810%296-8-4-2-1-3-5-8%3B%2Fh1-5H%2C6H2%3B1H,44.01,1.0,2.0,5.0,-1.276,0.2,34.4645,0.0,6.0,130.081996917725,8.1,4.0,0.0,3.11111111111111
InChI%3D1S%2FC3H6Cl2%2Fc4-2-1-3-5%2Fh1-3H2,0.0,0.0,2.0,3.0,1.8541,0.5,26.057,2.0,4.0,106.938997268677,5.0,4.0,0.0,4.0
InChI%3D1S%2FC6H5NO3%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4%2C8H,66.05,0.0,1.0,4.0,1.8236,0.1,36.9288,0.0,5.0,134.069996833801,8.1,3.40828402366864,1.0,1.99111111111111
InChI%3D1S%2FC7H14O%2Fc1-3-4-5-6-7%282%298%2Fh3-6H2%2C1-2H3,17.07,0.0,4.0,5.0,2.1557,0.571428571428571,34.823,0.0,6.0,100.0759973526,8.0,5.14285714285714,0.0,7.2
InChI%3D1S%2FC6H4Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H,0.0,0.0,0.0,3.0,2.9934,0.0,36.462,2.0,4.0,142.971996307373,6.125,2.52,0.0,1.48760330578512
InChI%3D1S%2FC4H10O%2Fc1-2-3-4-5%2Fh5H%2C2-4H2%2C1H3,20.23,0.0,2.0,3.0,0.7788,0.5,21.9938,0.0,4.0,64.0429983139038,5.0,4.0,1.0,4.0
InChI%3D1S%2FC7H6O3%2Fc8-4-5-1-2-6%289%293-7%285%2910%2Fh1-4%2C9-10H,57.53,0.0,1.0,5.0,0.9103,0.1,35.1591,0.0,6.0,132.073996543884,8.1,3.40828402366864,2.0,1.99111111111111
InChI%3D1S%2FC5H10O%2Fc1-3-5%286%294-2%2Fh3-4H2%2C1-2H3,17.07,0.0,2.0,3.0,1.3755,0.4,25.589,0.0,4.0,76.0539979934692,6.0,3.2,0.0,3.0
InChI%3D1S%2FC9H16ClNO2%2Fc10-6-7-13-9%2812%2911-8-4-2-1-3-5-8%2Fh8H%2C1-7H2%2C%28H%2C11%2C12%29,41.82,0.0,4.0,8.0,2.4885,0.307692307692308,53.6088,1.0,9.0,189.556995391846,11.0769230769231,6.45333333333333,1.0,4.6875
InChI%3D1S%2FC7H5FO%2Fc8-7-4-2-1-3-6%287%295-9%2Fh1-5H,17.07,0.0,1.0,4.0,1.6382,0.111111111111111,31.7875,1.0,5.0,119.073996543884,7.11111111111111,3.2396694214876,0.0,1.70414201183432
InChI%3D1S%2FC16H27N%2Fc1-2-3-4-5-6-7-8-9-10-15-11-13-16%2817%2914-12-15%2Fh11-14H%2C2-10%2C17H2%2C1H3,26.02,0.0,9.0,13.0,4.952,0.529411764705882,77.1684,0.0,14.0,206.182994842529,15.0588235294118,9.97229916897507,1.0,7.84
InChI%3D1S%2FC7H12O2%2Fc1-5%282%297%288%299-6%283%294%2Fh6H%2C1H2%2C2-4H3,26.3,0.0,3.0,4.0,1.5141,0.375,36.042,0.0,5.0,116.074996948242,9.0,3.92,0.0,4.5
InChI%3D1S%2FC8H10%2Fc1-7-5-3-4-6-8%287%292%2Fh3-6H%2C1-2H3,0.0,0.0,0.0,3.0,2.3034,0.0,35.916,0.0,4.0,96.0879974365234,6.125,2.52,0.0,1.48760330578512
InChI%3D1S%2FC9H11N%2Fc1-2-8-10-9-6-4-3-5-7-9%2Fh2-7%2C10H%2C1%2C8H2,12.03,0.0,3.0,6.0,2.2845,0.3,45.1287,0.0,7.0,122.105997085571,8.1,4.7603305785124,1.0,3.11111111111111
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%29,51.05,0.0,4.0,7.0,2.3964,0.266666666666667,58.8218,0.0,8.0,194.124995231628,13.0666666666667,6.55401662049861,1.0,4.57142857142857
InChI%3D1S%2FC9H18O%2Fc1-3-4-5-6-7-8-9%282%2910%2Fh3-8H2%2C1-2H3,17.07,0.0,6.0,7.0,2.9359,0.666666666666667,44.057,0.0,8.0,124.097996711731,10.0,7.11111111111111,0.0,9.14285714285714
InChI%3D1S%2FC7H8FN%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C9H%2C1H3,12.03,0.0,1.0,5.0,1.8674,0.111111111111111,35.9467,1.0,6.0,117.081996917725,7.11111111111111,3.2396694214876,1.0,2.0
InChI%3D1S%2FC8H18O%2Fc1-2-3-4-5-6-7-8-9%2Fh9H%2C2-8H2%2C1H3,20.23,0.0,6.0,7.0,2.3392,0.75,40.4618,0.0,8.0,112.086997032166,9.0,8.0,1.0,8.0
InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-4-2-1-3-6%287%295-12%2Fh1-4H,23.79,0.0,1.0,4.0,2.57708,0.0833333333333333,36.159,3.0,5.0,167.088994979858,10.0833333333333,3.80622837370242,0.0,2.49307479224377
InChI%3D1S%2FC10H14%2Fc1-3-9-6-5-7-10%284-2%298-9%2Fh5-8H%2C3-4H2%2C1-2H3,0.0,0.0,2.0,5.0,2.8114,0.2,45.198,0.0,6.0,120.109996795654,8.1,4.0,0.0,2.28571428571429
InChI%3D1S%2FC6H3Cl3%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H,0.0,0.0,0.0,4.0,3.6468,0.0,41.472,3.0,5.0,178.424995422363,7.11111111111111,2.72222222222222,0.0,1.70414201183432
InChI%3D1S%2FC10H15N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh5-9H%2C3-4H2%2C1-2H3,3.24,0.0,3.0,5.0,2.5328,0.272727272727273,50.003,0.0,6.0,134.116996765137,9.09090909090909,4.79289940828402,0.0,2.5
InChI%3D1S%2FC7H9N%2Fc1-8-7-5-3-2-4-6-7%2Fh2-6%2C8H%2C1H3,12.03,0.0,1.0,4.0,1.7283,0.125,35.9887,0.0,5.0,98.0839977264404,6.125,3.11111111111111,1.0,1.8
InChI%3D1S%2FC5H8O2%2Fc1-4%286%293-5%282%297%2Fh3H2%2C1-2H3,34.14,0.0,2.0,3.0,0.5545,0.333333333333333,25.979,0.0,4.0,92.0529975891113,7.0,3.06122448979592,0.0,6.0
InChI%3D1S%2FC6H6N2O2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H%2C7H2,71.84,0.0,1.0,5.0,1.7002,0.1,39.6764,0.0,6.0,132.077997207642,8.1,3.40828402366864,1.0,2.28571428571429
InChI%3D1S%2FC6H15N%2Fc1-2-3-4-5-6-7%2Fh2-7H2%2C1H3,27.64,0.0,4.0,5.0,0.8086,0.666666666666667,34.0311,0.0,6.0,86.072998046875,7.0,6.0,1.0,6.0
InChI%3D1S%2FC20H30O2%2Fc1-5-18%282%2912-9-15-14%2813-18%297-8-16-19%2815%2C3%2910-6-11-20%2816%2C4%2917%2821%2922%2Fh5%2C7%2C15-16H%2C1%2C6%2C8-13H2%2C2-4H3%2C%28H%2C21%2C22%29%2Ft15-%2C16%2B%2C18-%2C19%2B%2C20%2B%2Fm0%2Fs1,40.13,0.0,2.0,9.0,3.8715,0.0833333333333333,87.5935,0.0,10.0,272.217992782593,16.84375,5.52268244575937,0.0,2.51239669421488
InChI%3D1S%2FC6H2Cl4O2%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh11-12H,40.46,0.0,0.0,4.0,3.7114,0.0,49.8116,4.0,5.0,245.875993728638,10.0833333333333,3.39506172839506,2.0,1.5625
InChI%3D1S%2FC13H22N.ClH%2Fc1-4-14%285-2%2C6-3%2912-13-10-8-7-9-11-13%3B%2Fh7-11H%2C4-6%2C12H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1,0.0,0.0,5.0,6.0,3.0631,0.357142857142857,62.0294,0.0,7.0,170.149995803833,12.0714285714286,5.77777777777778,0.0,3.27272727272727
InChI%3D1S%2FC7H10%2Fc1-2-7-4-3-6%281%295-7%2Fh1-2%2C6-7H%2C3-5H2,0.0,0.0,0.0,2.0,1.9725,0.0,29.971,0.0,3.0,84.076997756958,3.9375,1.2396694214876,0.0,0.489795918367347
InChI%3D1S%2FC6H14S%2Fc1-3-5-7-6-4-2%2Fh3-6H2%2C1-2H3,25.3,0.0,4.0,5.0,2.5396,0.666666666666667,37.907,0.0,6.0,104.132999420166,7.0,6.0,0.0,6.0
InChI%3D1S%2FC3H6O2%2Fc1-3%284%295-2%2Fh1-2H3,26.3,0.0,1.0,2.0,0.1793,0.25,17.69,0.0,3.0,68.0309982299805,5.0,2.25,0.0,4.0
InChI%3D1S%2FC9H12O%2Fc1-6-4-5-7%282%299%2810%298%286%293%2Fh4-5%2C10H%2C1-3H3,20.23,0.0,0.0,4.0,2.3174,0.0,42.3178,0.0,5.0,124.097996711731,8.1,2.93877551020408,1.0,1.55017301038062
InChI%3D1S%2FC5H8O%2Fc1-3-4-5%282%296%2Fh1%2C5-6H%2C4H2%2C2H3,20.23,0.0,1.0,3.0,0.3905,0.2,25.1308,0.0,4.0,76.0539979934692,6.0,3.2,1.0,5.33333333333333
InChI%3D1S%2FC5H10O%2Fc1-3-5%282%294-6%2Fh4-5H%2C3H2%2C1-2H3,17.07,0.0,2.0,3.0,1.2314,0.4,25.519,0.0,4.0,76.0539979934692,6.0,3.2,0.0,3.0
InChI%3D1S%2FC7H6N2O3%2Fc8-7%2810%295-1-3-6%284-2-5%299%2811%2912%2Fh1-4H%2C%28H2%2C8%2C10%29,88.91,0.0,2.0,6.0,1.2169,0.166666666666667,43.7819,0.0,7.0,160.087996482849,10.0833333333333,4.296875,1.0,2.77777777777778
InChI%3D1S%2FC8H11N%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6H%2C2%2C9H2%2C1H3,26.02,0.0,1.0,5.0,1.8312,0.111111111111111,40.2324,0.0,6.0,110.094997406006,7.11111111111111,3.2396694214876,1.0,2.0
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3%2B,20.23,0.0,3.0,5.0,1.335,0.5,31.1338,0.0,6.0,88.0649976730347,7.0,6.0,1.0,6.0
InChI%3D1S%2FC11H16ClO2PS3%2Fc1-3-13-15%2816%2C14-4-2%2918-9-17-11-7-5-10%2812%296-8-11%2Fh5-8H%2C3-4%2C9H2%2C1-2H3,110.96,0.0,8.0,10.0,6.0709,0.444444444444444,87.53,1.0,11.0,326.746999740601,16.0555555555556,8.22684310018904,0.0,6.144
InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H,20.23,0.0,0.0,3.0,1.3922,0.0,28.1068,0.0,4.0,88.0649976730347,5.14285714285714,2.34375,1.0,1.5
InChI%3D1S%2FC15H26O%2Fc1-6-15%285%2C16%2912-8-11-14%284%2910-7-9-13%282%293%2Fh6%2C9%2C11%2C16H%2C1%2C7-8%2C10%2C12H2%2C2-5H3%2Fb14-11%2B,20.23,0.0,7.0,10.0,4.3963,0.466666666666667,72.4768,0.0,11.0,196.163994789124,16.0,8.14404432132964,1.0,9.953125
InChI%3D1S%2FC12H11NO3S%2Fc14-17%2815%2C16%2912-7-4-8-13%2810-12%299-11-5-2-1-3-6-11%2Fh1-8%2C10H%2C9H2,87.18,1.0,3.0,8.0,1.5718,0.166666666666667,62.0055,0.0,9.0,238.202996253967,13.4320987654321,5.76,0.0,4.0
InChI%3D1S%2FC6H10%2Fc1-5%282%296%283%294%2Fh1%2C3H2%2C2%2C4H3,0.0,0.0,1.0,2.0,2.1386,0.2,29.628,0.0,3.0,72.0659980773926,6.0,2.22222222222222,0.0,3.0
InChI%3D1S%2FC4H5NO%2Fc1-4-2-6-3-5-4%2Fh2-3H%2C1H3,26.03,1.0,0.0,2.0,0.983,0.0,21.24,0.0,3.0,78.0499982833862,4.16666666666667,1.63265306122449,0.0,0.979591836734694
InChI%3D1S%2FC14H23NO4%2Fc1-16-7-5-6-15-10-11-8-12%2817-2%2914%2819-4%2913%289-11%2918-3%2Fh8-9%2C15H%2C5-7%2C10H2%2C1-4H3,53.53,0.0,9.0,11.0,0.812299999999999,0.473684210526316,75.2214,0.0,12.0,246.156993865967,17.0526315789474,9.8336483931947,1.0,5.47919143876338
InChI%3D1S%2FC7H5NO3%2Fc9-5-6-1-3-7%284-2-6%298%2810%2911%2Fh1-5H,62.89,0.0,2.0,6.0,1.9305,0.181818181818182,40.6515,0.0,7.0,146.080996513367,9.09090909090909,4.13265306122449,0.0,2.5
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,0.0,0.0,1.0,4.0,2.249,0.125,35.82,0.0,5.0,96.0879974365234,6.125,3.11111111111111,0.0,1.8
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3-,20.23,0.0,3.0,5.0,1.335,0.5,31.1338,0.0,6.0,88.0649976730347,7.0,6.0,1.0,6.0
InChI%3D1S%2FC6H12ClN.ClH%2Fc7-3-6-8-4-1-2-5-8%3B%2Fh1-6H2%3B1H,4.44,1.0,2.0,4.0,1.4731,0.25,35.1369,1.0,5.0,121.525997161865,6.125,3.11111111111111,1.0,1.8
InChI%3D1S%2FC3H9NO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2%2C4H2%2C1H3,47.87,0.0,1.0,2.0,-1.3909,0.25,21.5699,0.0,3.0,66.0389986038208,5.0,2.25,2.0,4.0
InChI%3D1S%2FC8H14%2Fc1-7%282%295-6-8%283%294%2Fh5-6H%2C1-4H3,0.0,0.0,1.0,4.0,2.9188,0.142857142857143,38.862,0.0,5.0,96.0879974365234,8.0,3.9375,0.0,7.2
InChI%3D1S%2FC6H4Cl2O2%2Fc7-3-1-5%289%296%2810%292-4%283%298%2Fh1-2%2C9-10H,40.46,0.0,0.0,4.0,2.4046,0.0,39.7916,2.0,5.0,174.969995498657,8.1,2.93877551020408,2.0,1.75
InChI%3D1S%2FC9H13N%2Fc1-3-10-9-6-4-5-8%282%297-9%2Fh4-7%2C10H%2C3H2%2C1-2H3,12.03,0.0,2.0,5.0,2.4268,0.2,45.3427,0.0,6.0,122.105997085571,8.1,4.0,1.0,2.6508875739645
InChI%3D1S%2FC14H26O4%2Fc1-3-17-13%2815%2911-9-7-5-6-8-10-12-14%2816%2918-4-2%2Fh3-12H2%2C1-2H3,52.6,0.0,13.0,14.0,3.2334,0.764705882352941,70.202,0.0,15.0,232.149993896484,18.0,13.4320987654321,0.0,13.2871972318339
InChI%3D1S%2FC3H2N2%2Fc4-2-1-3-5%2Fh1H2,47.58,0.0,0.0,3.0,0.42366,0.0,15.843,0.0,4.0,64.0469989776611,5.0,4.0,0.0,4.0
InChI%3D1S%2FC10H14O%2Fc11-10-8-2-6-1-7%284-8%295-9%2810%293-6%2Fh6-9H%2C1-5H2,17.07,0.0,0.0,4.0,2.0116,0.0,42.052,0.0,5.0,136.108996391296,6.50887573964497,2.025,0.0,0.816326530612245
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-2-1-3-6%284-5%298%289%2910%2Fh1-4H,45.82,0.0,1.0,4.0,2.7714,0.1,40.274,1.0,5.0,153.523996353149,8.1,3.40828402366864,0.0,2.28571428571429
InChI%3D1S%2FC6H5ClN2O2%2Fc7-5-3-4%289%2810%2911%291-2-6%285%298%2Fh1-3H%2C8H2,71.84,0.0,1.0,5.0,2.3536,0.0909090909090909,44.6864,1.0,6.0,167.530996322632,9.09090909090909,3.6,1.0,2.21453287197232
InChI%3D1S%2FC2H5NO%2Fc1-2-3-4%2Fh2%2C4H%2C1H3,32.59,0.0,0.0,2.0,0.4663,0.0,15.9525,0.0,3.0,54.0279989242554,4.0,3.0,1.0,4.0
InChI%3D1S%2FC7H5ClO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H,37.3,0.0,1.0,4.0,1.8581,0.1,38.5043,1.0,5.0,151.527996063232,8.1,3.40828402366864,1.0,1.99111111111111
InChI%3D1S%2FC10H23N%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh2-11H2%2C1H3,27.64,0.0,8.0,9.0,2.369,0.8,52.4991,0.0,10.0,134.116996765137,11.0,10.0,1.0,10.0
InChI%3D1S%2FC8H14O%2Fc1-3-5-6-7-8%289%294-2%2Fh2%2C8-9H%2C3%2C5-7H2%2C1H3,20.23,0.0,4.0,6.0,1.5608,0.5,38.9818,0.0,7.0,112.086997032166,9.0,6.125,1.0,5.87755102040816
InChI%3D1S%2FC13H29N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14%2Fh2-14H2%2C1H3,27.64,0.0,11.0,12.0,3.5393,0.846153846153846,66.3501,0.0,13.0,170.149995803833,14.0,13.0,1.0,13.0909090909091
InChI%3D1S%2FC12H9NO3%2Fc14-13%2815%2910-6-8-12%289-7-10%2916-11-4-2-1-3-5-11%2Fh1-9H,55.05,0.0,3.0,9.0,3.9103,0.176470588235294,61.78,0.0,10.0,206.135994911194,12.4567474048443,6.07438016528926,0.0,3.76923076923077
InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3,20.23,0.0,1.0,3.0,0.7806,0.166666666666667,29.7478,0.0,4.0,88.0649976730347,7.0,2.34375,1.0,2.66666666666667
InChI%3D1S%2FC4H11N%2Fc1-2-3-4-5%2Fh2-5H2%2C1H3,27.64,0.0,2.0,3.0,0.0284,0.5,24.7971,0.0,4.0,62.0509986877441,5.0,4.0,1.0,4.0
InChI%3D1S%2FC6H4Br2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H,0.0,0.0,0.0,3.0,3.2116,0.0,41.842,2.0,4.0,231.873996734619,6.125,2.52,0.0,1.48760330578512
InChI%3D1S%2FCHI3%2Fc2-1%283%294%2Fh1H,0.0,0.0,0.0,1.0,2.575,0.0,45.848,3.0,2.0,392.722997665405,4.0,1.33333333333333,0.0,0.0
InChI%3D1S%2FC2H3Cl2NO%2Fc3-1%284%292%285%296%2Fh1H%2C%28H2%2C5%2C6%29,44.08,0.0,1.0,2.0,1.3254,0.2,25.8495,2.0,3.0,124.933997154236,6.0,2.22222222222222,2.0,3.0
InChI%3D1S%2FC6H13NO%2Fc1-5-3-7-4-6%282%298-5%2Fh5-7H%2C3-4H2%2C1-2H3,25.84,1.0,0.0,3.0,0.9262,0.0,31.2876,0.0,4.0,102.071997642517,6.125,2.52,1.0,1.8
InChI%3D1S%2FC8H19N%2Fc1-7%282%2C3%296-8%284%2C5%299%2Fh6%2C9H2%2C1-5H3,27.64,0.0,2.0,3.0,1.4431,0.25,43.1731,0.0,4.0,110.094997406006,9.0,2.31952662721893,1.0,8.0
InChI%3D1S%2FC8H8O3%2Fc1-11-8-4-6%285-9%292-3-7%288%2910%2Fh2-5%2C10H%2C1H3,46.53,0.0,2.0,5.0,1.2133,0.181818181818182,40.0463,0.0,6.0,144.08499622345,9.09090909090909,4.13265306122449,1.0,2.21453287197232
InChI%3D1S%2FC8H8ClNO%2Fc1-6-7%289%293-2-4-8%286%2910-5-11%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%29,32.59,0.0,1.0,5.0,2.8662,0.0909090909090909,46.9698,1.0,6.0,161.546996116638,9.09090909090909,4.13265306122449,1.0,2.21453287197232
InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3,0.0,0.0,0.0,4.0,2.6118,0.0,40.653,0.0,5.0,108.098997116089,7.11111111111111,2.72222222222222,0.0,1.70414201183432
InChI%3D1S%2FC7H12O2%2Fc1-4-7%288%299-5-6%282%293%2Fh4%2C6H%2C1%2C5H2%2C2-3H3,26.3,0.0,4.0,5.0,1.3716,0.5,35.994,0.0,6.0,116.074996948242,9.0,4.83950617283951,0.0,5.87755102040816
InChI%3D1S%2FC8H16O2%2Fc1-3-4-5-6-7-10-8%282%299%2Fh3-7H2%2C1-2H3,26.3,0.0,6.0,7.0,2.1298,0.666666666666667,40.775,0.0,8.0,128.085996627808,10.0,7.11111111111111,0.0,9.14285714285714
InChI%3D1S%2FC6H4N2O4%2Fc9-7%2810%295-1-2-6%284-3-5%298%2811%2912%2Fh1-4H,91.64,0.0,2.0,6.0,2.5494,0.166666666666667,44.086,0.0,7.0,164.075996398926,10.0833333333333,4.296875,0.0,2.77777777777778
InChI%3D1S%2FC3H6Br2%2Fc4-2-1-3-5%2Fh1-3H2,0.0,0.0,2.0,3.0,2.1663,0.5,32.205,2.0,4.0,195.840997695923,5.0,4.0,0.0,4.0
InChI%3D1S%2FC7H7NO%2Fc1-6%289%297-2-4-8-5-3-7%2Fh2-5H%2C1H3,29.96,1.0,1.0,4.0,1.2842,0.111111111111111,34.2415,0.0,5.0,114.082997322083,7.11111111111111,3.2396694214876,0.0,2.0
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,13.14,1.0,0.0,1.0,1.2796,0.0,18.708,0.0,2.0,64.0429983139038,3.2,1.44,0.0,0.64
InChI%3D1S%2FC16H22O4%2Fc1-3-5-11-19-15%2817%2913-7-9-14%2810-8-13%2916%2818%2920-12-6-4-2%2Fh7-10H%2C3-6%2C11-12H2%2C1-2H3,52.6,0.0,10.0,14.0,3.6004,0.5,76.823,0.0,15.0,256.171993255615,18.05,10.6875,0.0,7.02551020408163
InChI%3D1S%2FC9H7NO2%2Fc1-12-9%2811%298-4-2-7%286-10%293-5-8%2Fh2-5H%2C1H3,50.09,0.0,2.0,7.0,1.34488,0.166666666666667,42.4965,0.0,8.0,154.103996276855,10.0833333333333,4.88888888888889,0.0,2.77777777777778
InChI%3D1S%2FC9H15NO6%2Fc1-4-14-7%2811%2910%288%2812%2915-5-2%299%2813%2916-6-3%2Fh4-6H2%2C1-3H3,82.14,0.0,9.0,7.0,1.7579,0.6,52.905,0.0,8.0,218.099994659424,16.0,9.07407407407407,0.0,5.77777777777778
InChI%3D1S%2FC7H5F4N%2Fc8-4-1-2-6%2812%295%283-4%297%289%2C10%2911%2Fh1-3H%2C12H2,26.02,0.0,1.0,4.0,2.4267,0.0833333333333333,35.8144,4.0,5.0,174.075994491577,10.0833333333333,3.39506172839506,1.0,2.49307479224377
InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-1-2-5%287%2810%2911%296%289%293-4%2Fh1-3H%2C%28H2%2C10%2C11%29,44.08,0.0,1.0,5.0,2.8768,0.0909090909090909,45.9195,2.0,6.0,184.988995552063,9.09090909090909,3.6,2.0,2.21453287197232
InChI%3D1S%2FC3H9N%2Fc1-2-3-4%2Fh2-4H2%2C1H3,27.64,0.0,1.0,2.0,-0.3617,0.333333333333333,20.1801,0.0,3.0,50.0399990081787,4.0,3.0,1.0,4.0
InChI%3D1S%2FC7H7ClO%2Fc1-5-4-6%289%292-3-7%285%298%2Fh2-4%2C9H%2C1H3,20.23,0.0,0.0,4.0,2.354,0.0,37.8538,1.0,5.0,135.52899646759,7.11111111111111,2.72222222222222,1.0,1.70414201183432
InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2,92.07,0.0,1.0,4.0,1.4058,0.0909090909090909,41.3412,0.0,5.0,148.076996803284,9.09090909090909,3.6,2.0,2.21453287197232
InChI%3D1S%2FC2H7NO%2Fc3-1-2-4%2Fh4H%2C1-3H2,47.87,0.0,1.0,2.0,-1.7794,0.333333333333333,16.9749,0.0,3.0,54.0279989242554,4.0,3.0,2.0,4.0
InChI%3D1S%2FC11H16O%2Fc1-11%282%2C12%299-8-10-6-4-3-5-7-10%2Fh3-7%2C12H%2C8-9H2%2C1-2H3,20.23,0.0,3.0,6.0,2.3901,0.25,51.0608,0.0,7.0,148.119996070862,10.0833333333333,4.296875,1.0,4.59183673469388
InChI%3D1S%2FC12H20O4%2Fc1-3-5-9-15-11%2813%297-8-12%2814%2916-10-6-4-2%2Fh7-8H%2C3-6%2C9-10H2%2C1-2H3,52.6,0.0,10.0,12.0,2.2292,0.666666666666667,60.874,0.0,13.0,208.127994537354,16.0,11.484375,0.0,11.3244444444444
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3,54.57,0.0,12.0,9.0,4.5446,0.75,70.1865,0.0,10.0,239.10199546814,17.0,11.1111111111111,0.0,9.679012345679
InChI%3D1S%2FC10H14O%2Fc1-2-3-9-11-10-7-5-4-6-8-10%2Fh4-8H%2C2-3%2C9H2%2C1H3,9.23,0.0,4.0,7.0,2.8655,0.363636363636364,46.845,0.0,8.0,136.108996391296,9.09090909090909,5.625,0.0,3.78698224852071
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%29,35.83,0.0,2.0,7.0,3.1005,0.142857142857143,59.8728,2.0,8.0,223.017994880676,12.0714285714286,5.18559556786704,1.0,3.59183673469388
InChI%3D1S%2FC8H11N%2Fc1-3-8-5-4-7%282%299-6-8%2Fh4-6H%2C3H2%2C1-2H3,12.89,1.0,1.0,5.0,1.9524,0.111111111111111,38.352,0.0,6.0,110.094997406006,7.11111111111111,3.2396694214876,0.0,2.0
InChI%3D1S%2FC4H8Cl2%2Fc5-3-1-2-4-6%2Fh1-4H2,0.0,0.0,3.0,4.0,2.2442,0.6,30.674,2.0,5.0,118.949996948242,6.0,5.0,0.0,5.33333333333333
InChI%3D1S%2FC8H16O%2Fc1-7%282%295-6-8%283%2C4%299-7%2Fh5-6H2%2C1-4H3,9.23,1.0,0.0,3.0,2.354,0.0,38.477,0.0,4.0,112.086997032166,7.11111111111111,1.74222222222222,0.0,1.70414201183432
InChI%3D1S%2FC3H10N2%2Fc4-2-1-3-5%2Fh1-5H2,55.28,0.0,2.0,3.0,-2.1397,0.5,24.3952,0.0,4.0,64.0469989776611,5.0,4.0,2.0,4.0
InChI%3D1S%2FC6H4N2O5%2Fc9-6-3-4%287%2810%2911%291-2-5%286%298%2812%2913%2Fh1-3%2C9H,111.87,0.0,2.0,6.0,2.255,0.153846153846154,45.7508,0.0,7.0,180.074995994568,11.0769230769231,4.48148148148148,1.0,2.72108843537415
InChI%3D1S%2FC8H8O3%2Fc1-11-7-4-2-3-6%285-9%298%287%2910%2Fh2-5%2C10H%2C1H3,46.53,0.0,2.0,5.0,1.2133,0.181818181818182,40.0463,0.0,6.0,144.08499622345,9.09090909090909,4.13265306122449,1.0,1.97530864197531
InChI%3D1S%2FC12H23N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-11H2%2C1H3,23.79,0.0,9.0,11.0,4.43088,0.75,57.457,0.0,12.0,158.138996124268,13.0,12.0,0.0,12.0
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,45.82,0.0,1.0,4.0,2.118,0.111111111111111,35.264,0.0,5.0,118.070997238159,7.11111111111111,3.2396694214876,0.0,2.0
InChI%3D1S%2FC7H12O%2Fc1-5-7%284%2C8%296%282%293%2Fh1%2C6%2C8H%2C2-4H3,20.23,0.0,1.0,3.0,1.0266,0.142857142857143,34.2948,0.0,4.0,100.0759973526,8.0,2.52,1.0,2.22222222222222
InChI%3D1S%2FC11H18N2O2S.Na%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%3B%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29%3B%2Fq%3B%2B1%2Fp-1,100.1,1.0,4.0,7.0,1.7742,0.25,61.9617,0.0,8.0,224.199996948242,14.0625,5.55765595463138,1.0,2.48828125
InChI%3D1S%2FC11H9N%2Fc1-2-4-10%285-3-1%2911-6-8-12-9-7-11%2Fh1-9H,12.89,1.0,1.0,6.0,2.7486,0.0769230769230769,49.673,0.0,7.0,146.127996444702,8.59171597633136,4.296875,0.0,2.25
InChI%3D1S%2FC7H17N%2Fc1-2-3-4-5-6-7-8%2Fh2-8H2%2C1H3,27.64,0.0,5.0,6.0,1.1987,0.714285714285714,38.6481,0.0,7.0,98.0839977264404,8.0,7.0,1.0,7.2
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2%2Fb2-1%2B,0.0,0.0,1.0,3.0,1.9777,0.25,25.713,2.0,4.0,106.938997268677,5.0,4.0,0.0,4.0
InChI%3D1S%2FC9H10O3%2Fc1-6%2810%298-4-3-7%2812-2%295-9%288%2911%2Fh3-5%2C11H%2C1-2H3,46.53,0.0,2.0,6.0,1.6034,0.166666666666667,44.6633,0.0,7.0,156.095995903015,10.0833333333333,4.296875,1.0,2.49307479224377
InChI%3D1S%2FC8H7BrO3%2Fc1-12-7-3-5%284-10%292-6%289%298%287%2911%2Fh2-4%2C11H%2C1H3,46.53,0.0,2.0,5.0,1.9758,0.166666666666667,47.7463,1.0,6.0,223.988995552063,10.0833333333333,4.296875,1.0,2.25
InChI%3D1S%2FC13H10O3%2Fc14-12-9-5-4-8-11%2812%2913%2815%2916-10-6-2-1-3-7-10%2Fh1-9%2C14H,46.53,0.0,3.0,8.0,2.6114,0.176470588235294,59.5073,0.0,9.0,204.139994621277,12.4567474048443,6.07438016528926,1.0,3.49519890260631
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,13.14,1.0,0.0,3.0,2.4328,0.0,36.214,0.0,4.0,112.086997032166,5.76,2.31952662721893,0.0,0.996539792387543
InChI%3D1S%2FC7H9N%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5H%2C8H2%2C1H3,26.02,0.0,0.0,4.0,1.5772,0.0,35.5914,0.0,5.0,98.0839977264404,6.125,2.52,1.0,1.8
InChI%3D1S%2FC8H8O4%2Fc1-12-8%2811%296-3-2-5%289%294-7%286%2910%2Fh2-4%2C9-10H%2C1H3,66.76,0.0,2.0,6.0,0.8844,0.166666666666667,41.1111,0.0,7.0,160.083995819092,10.0833333333333,4.296875,2.0,2.49307479224377
InChI%3D1S%2FC12H17NO2%2Fc1-12%282%2C3%299-5-7-10%288-6-9%2915-11%2814%2913-4%2Fh5-8H%2C1-4H3%2C%28H%2C13%2C14%29,41.82,0.0,3.0,8.0,2.9067,0.2,61.7578,0.0,9.0,190.136995315552,13.0666666666667,5.36507936507936,1.0,4.16528925619835
InChI%3D1S%2FC8H9NO%2Fc1-6%2810%297-3-2-4-8%289%295-7%2Fh2-5H%2C9H2%2C1H3,43.09,0.0,1.0,4.0,1.4714,0.1,40.8589,0.0,5.0,126.093997001648,8.1,3.40828402366864,1.0,2.28571428571429
InChI%3D1S%2FC9H11NO2%2Fc1-2-12-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3,52.32,0.0,3.0,7.0,1.4455,0.25,46.8109,0.0,8.0,154.103996276855,10.0833333333333,4.88888888888889,1.0,3.11418685121107
InChI%3D1S%2FC7H4ClNO3%2Fc8-7-2-1-6%289%2811%2912%293-5%287%294-10%2Fh1-4H,62.89,0.0,2.0,5.0,2.5839,0.166666666666667,45.6615,1.0,6.0,181.533995628357,10.0833333333333,4.296875,0.0,2.49307479224377
InChI%3D1S%2FC7H6O2.Na%2Fc8-7%289%296-4-2-1-3-5-6%3B%2Fh1-5H%2C%28H%2C8%2C9%29%3B%2Fq%3B%2B1%2Fp-1,40.13,0.0,1.0,4.0,0.0501,0.111111111111111,31.459,0.0,5.0,116.074996948242,7.11111111111111,3.2396694214876,0.0,2.0
InChI%3D1S%2FC4H11N%2Fc1-3-4%282%295%2Fh4H%2C3%2C5H2%2C1-2H3,27.64,0.0,1.0,2.0,0.0268000000000002,0.25,24.7751,0.0,3.0,62.0509986877441,5.0,2.25,1.0,4.0
InChI%3D1S%2FC7H5NO3%2Fc9-5-6-3-1-2-4-7%286%298%2810%2911%2Fh1-5H,62.89,0.0,2.0,4.0,1.9305,0.181818181818182,40.6515,0.0,5.0,146.080996513367,9.09090909090909,4.13265306122449,0.0,2.21453287197232
InChI%3D1S%2FC7H6Cl2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4H%2C1H3,0.0,0.0,0.0,4.0,3.3018,0.0,41.199,2.0,5.0,154.982995986938,7.11111111111111,2.72222222222222,0.0,1.70414201183432
InChI%3D1S%2FC8H5Cl3O%2Fc1-4%2812%295-2-3-6%289%298%2811%297%285%2910%2Fh2-3H%2C1H3,17.07,0.0,1.0,5.0,3.8494,0.0833333333333333,51.4765,3.0,6.0,218.445994377136,10.0833333333333,3.80622837370242,0.0,2.04081632653061
InChI%3D1S%2FC10H20O%2Fc1-3-4-5-6-7-8-9-10%282%2911%2Fh3-9H2%2C1-2H3,17.07,0.0,7.0,8.0,3.326,0.7,48.674,0.0,9.0,136.108996391296,11.0,8.1,0.0,10.0
InChI%3D1S%2FC7H7NO2%2Fc8-7%2810%295-3-1-2-4-6%285%299%2Fh1-4%2C9H%2C%28H2%2C8%2C10%29,64.31,0.0,1.0,4.0,1.2756,0.1,37.5643,0.0,5.0,130.081996917725,8.1,3.40828402366864,3.0,1.99111111111111
InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh1%2C4H%2C3H2,20.23,0.0,0.0,2.0,-0.3881,0.0,15.9188,0.0,3.0,52.0319986343384,4.0,3.0,1.0,4.0
InChI%3D1S%2FC9H10O3%2Fc1-2-12-9%2811%297-5-3-4-6-8%287%2910%2Fh3-6%2C10H%2C2H2%2C1H3,46.53,0.0,3.0,6.0,1.5689,0.25,44.0633,0.0,7.0,156.095995903015,10.0833333333333,4.88888888888889,1.0,2.77777777777778
InChI%3D1S%2FC20H34O%2Fc1-7-19%285%2C21%2914-11-16-15%282%299-10-17-18%283%2C4%2912-8-13-20%2816%2C17%296%2Fh7%2C16-17%2C21H%2C1-2%2C8-14H2%2C3-6H3%2Ft16-%2C17%3F%2C19%2B%2C20%2B%2Fm0%2Fs1,20.23,0.0,4.0,8.0,5.5024,0.181818181818182,91.1478,0.0,9.0,256.218993186951,17.3553719008264,5.89387755102041,1.0,3.34710743801653
InChI%3D1S%2FC9H14N.HI%2Fc1-10%282%2C3%299-7-5-4-6-8-9%3B%2Fh4-8H%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1,0.0,0.0,1.0,4.0,1.8833,0.1,46.008,0.0,5.0,122.105997085571,8.1,2.93877551020408,0.0,2.28571428571429
InChI%3D1S%2FC6H15N3%2Fc7-1-4-9-5-2-8-3-6-9%2Fh8H%2C1-7H2,48.69,1.0,2.0,5.0,-1.1714,0.222222222222222,36.3506,0.0,6.0,114.08699798584,7.11111111111111,3.92,3.0,2.3801652892562
InChI%3D1S%2FC4Cl6%2Fc5-1%283%287%298%292%286%294%289%2910,0.0,0.0,1.0,4.0,4.7574,0.111111111111111,49.17,6.0,5.0,260.761993408203,10.0,4.0,0.0,3.11111111111111
InChI%3D1S%2FC11H12O2%2Fc1-9%282%2911%2812%2913-8-10-6-4-3-5-7-10%2Fh3-7H%2C1%2C8H2%2C2H3,26.3,0.0,4.0,7.0,2.3059,0.307692307692308,51.052,0.0,8.0,164.118995666504,11.0769230769231,5.671875,0.0,4.1522491349481
InChI%3D1S%2FC2H5ClO%2Fc3-1-2-4%2Fh4H%2C1-2H2,20.23,0.0,1.0,2.0,0.2175,0.333333333333333,17.8058,1.0,3.0,75.4739980697632,4.0,3.0,1.0,4.0
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,0.0,0.0,0.0,2.0,1.6866,0.0,26.442,0.0,3.0,72.0659980773926,4.16666666666667,2.22222222222222,0.0,1.33333333333333
InChI%3D1S%2FC6H3Br3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,20.23,0.0,0.0,4.0,3.6797,0.0,51.2068,3.0,5.0,327.776995658875,8.1,2.93877551020408,1.0,1.75
InChI%3D1S%2FC13H10O%2Fc14-13%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,17.07,0.0,2.0,7.0,2.9176,0.133333333333333,56.3165,0.0,8.0,172.141995429993,10.5155555555556,5.18559556786704,0.0,2.75
InChI%3D1S%2FC8H16O2%2Fc1-3-5-6-7-8%289%2910-4-2%2Fh3-7H2%2C1-2H3,26.3,0.0,6.0,7.0,2.1298,0.666666666666667,40.775,0.0,8.0,128.085996627808,10.0,7.11111111111111,0.0,7.0
InChI%3D1S%2FC8H18S%2Fc1-7%282%2C3%299-8%284%2C5%296%2Fh1-6H3,25.3,0.0,2.0,3.0,3.3166,0.25,47.097,0.0,4.0,128.154998779297,9.0,2.31952662721893,0.0,8.0
InChI%3D1S%2FC10H11NO4%2Fc1-14-9%2812%296-3-4-7%288%2811%295-6%2910%2813%2915-2%2Fh3-5H%2C11H2%2C1-2H3,78.62,0.0,4.0,8.0,0.842,0.266666666666667,53.5334,0.0,9.0,198.112995147705,13.0666666666667,5.915,1.0,3.2256
InChI%3D1S%2FC6H12O2%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H%2C7%2C8%29,40.13,0.0,4.0,5.0,0.3166,0.571428571428571,29.8355,0.0,6.0,104.063997268677,8.0,5.14285714285714,0.0,7.2
InChI%3D1S%2FC6H14O%2Fc1-4-6%283%2C7%295-2%2Fh7H%2C4-5H2%2C1-3H3,20.23,0.0,2.0,3.0,1.5574,0.333333333333333,31.2058,0.0,4.0,88.0649976730347,7.0,2.34375,1.0,2.66666666666667
InChI%3D1S%2FC6H14O%2Fc1-2-3-4-5-6-7%2Fh7H%2C2-6H2%2C1H3,20.23,0.0,4.0,5.0,1.559,0.666666666666667,31.2278,0.0,6.0,88.0649976730347,7.0,6.0,1.0,6.0
InChI%3D1S%2FC4H8O2%2Fc1-3-6-4%282%295%2Fh3H2%2C1-2H3,26.3,0.0,2.0,3.0,0.5694,0.4,22.307,0.0,4.0,80.0419979095459,6.0,3.2,0.0,5.33333333333333
InChI%3D1S%2FC5H10O%2Fc1-4%282%295%283%296%2Fh4H%2C1-3H3,17.07,0.0,1.0,2.0,1.2314,0.2,25.519,0.0,3.0,76.0539979934692,6.0,2.22222222222222,0.0,3.0
InChI%3D1S%2FC10H14N2.H2O4S%2Fc1-12-7-3-5-10%2812%299-4-2-6-11-8-9%3B1-5%282%2C3%294%2Fh2%2C4%2C6%2C8%2C10H%2C3%2C5%2C7H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29,17.33,2.0,1.0,5.0,2.0004,0.0769230769230769,47.5849,0.0,6.0,148.123996734619,8.59171597633136,3.80622837370242,1.0,1.8595041322314
InChI%3D1S%2FC8H7NO4%2Fc1-13-8%2810%296-2-4-7%285-3-6%299%2811%2912%2Fh2-5H%2C1H3,72.12,0.0,3.0,7.0,1.9046,0.230769230769231,46.6035,0.0,8.0,174.090995788574,11.0769230769231,5.0242214532872,0.0,3.0
InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3,20.23,0.0,5.0,5.0,2.1951,0.625,40.3918,0.0,6.0,112.086997032166,9.0,6.125,1.0,4.5
InChI%3D1S%2FC12H24O%2Fc1-3-4-5-6-7-8-9-10-11-12%282%2913%2Fh3-11H2%2C1-2H3,17.07,0.0,9.0,10.0,4.1062,0.75,57.908,0.0,11.0,160.130995750427,13.0,10.0833333333333,0.0,12.0
InChI%3D1S%2FC11H16O%2Fc1-4-11%282%2C3%299-5-7-10%2812%298-6-9%2Fh5-8%2C12H%2C4H2%2C1-3H3,20.23,0.0,2.0,6.0,3.0798,0.166666666666667,51.4238,0.0,7.0,148.119996070862,10.0833333333333,3.80622837370242,1.0,2.49307479224377
InChI%3D1S%2FC9H9Cl%2Fc1-2-8-4-3-5-9%286-8%297-10%2Fh2-6H%2C1%2C7H2,0.0,0.0,2.0,5.0,3.0684,0.2,46.09,1.0,6.0,143.551996231079,8.1,4.0,0.0,2.28571428571429
InChI%3D1S%2FC7H3I2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,44.02,0.0,0.0,5.0,2.47308,0.0,58.2558,2.0,6.0,367.890995979309,9.09090909090909,3.6,1.0,1.97530864197531
InChI%3D1S%2FC7H5F4N%2Fc8-6-2-1-4%2812%293-5%286%297%289%2C10%2911%2Fh1-3H%2C12H2,26.02,0.0,1.0,4.0,2.4267,0.0833333333333333,35.8144,4.0,5.0,174.075994491577,10.0833333333333,3.39506172839506,1.0,2.49307479224377
InChI%3D1S%2FC10H12N2O5%2Fc1-3-6%282%298-4-7%2811%2814%2915%295-9%2810%288%2913%2912%2816%2917%2Fh4-6%2C13H%2C3H2%2C1-2H3,111.87,0.0,4.0,6.0,3.7685,0.235294117647059,64.4568,0.0,7.0,228.11899471283,15.0588235294118,6.25,1.0,3.48444444444444
InChI%3D1S%2FC10H12N2.ClH%2Fc1-2-4-9%285-3-1%298-10-11-6-7-12-10%3B%2Fh1-5H%2C6-8H2%2C%28H%2C11%2C12%29%3B1H,24.39,1.0,2.0,6.0,0.9952,0.153846153846154,45.0881,0.0,7.0,148.123996734619,8.59171597633136,4.296875,1.0,2.49307479224377
InChI%3D1S%2FC2H8N2%2Fc3-1-2-4%2Fh1-4H2,55.28,0.0,1.0,2.0,-2.5298,0.333333333333333,19.7782,0.0,3.0,52.0359992980957,4.0,3.0,2.0,4.0
InChI%3D1S%2FC15H12Cl4O2%2Fc1-15%282%2C7-3-9%2816%2913%2820%2910%2817%294-7%298-5-11%2818%2914%2821%2912%2819%296-8%2Fh3-6%2C20-21H%2C1-2H3,40.46,0.0,2.0,9.0,6.0373,0.0909090909090909,88.3816,4.0,10.0,353.974990844727,17.3553719008264,6.24567474048443,2.0,3.34710743801653
InChI%3D1S%2FC4H3BrS%2Fc5-4-1-2-6-3-4%2Fh1-3H,28.24,1.0,0.0,2.0,2.5106,0.0,32.019,1.0,3.0,160.014999389648,4.16666666666667,1.63265306122449,0.0,0.979591836734694
InChI%3D1S%2FC8H6ClN%2Fc1-6-3-2-4-8%289%297%286%295-10%2Fh2-4H%2C1H3,23.79,0.0,0.0,4.0,2.52008,0.0,40.904,1.0,5.0,145.547996520996,8.1,3.40828402366864,0.0,1.75
InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H,0.0,0.0,0.0,2.0,2.5017,0.0,25.642,3.0,3.0,130.380996704102,5.0,2.25,0.0,4.0
InChI%3D1S%2FC11H16N2O2%2Fc1-8-7-9%2815-11%2814%2912-2%295-6-10%288%2913%283%294%2Fh5-7H%2C1-4H3%2C%28H%2C12%2C14%29,45.06,0.0,3.0,8.0,1.9836,0.2,62.1218,0.0,9.0,192.132995605469,13.0666666666667,5.915,1.0,3.8109640831758
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%2C1-2H3,82.48,1.0,6.0,8.0,5.3687,0.333333333333333,77.658,3.0,9.0,339.502995491028,16.0555555555556,6.9632,0.0,4.56599286563615
InChI%3D1S%2FC9H11NO%2Fc1-2-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3,43.09,0.0,2.0,6.0,1.8615,0.181818181818182,45.4759,0.0,7.0,138.104996681213,9.09090909090909,4.13265306122449,1.0,2.5
InChI%3D1S%2FC4H10O%2Fc1-4%282%293-5%2Fh4-5H%2C3H2%2C1-2H3,20.23,0.0,1.0,2.0,0.6347,0.25,21.9238,0.0,3.0,64.0429983139038,5.0,2.25,1.0,4.0
InChI%3D1S%2FC8H18S2%2Fc1-3-5-9-7-8-10-6-4-2%2Fh3-8H2%2C1-2H3,50.6,0.0,7.0,8.0,3.2728,0.777777777777778,55.232,0.0,9.0,160.22200012207,10.0,9.0,0.0,9.14285714285714
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,12.89,1.0,0.0,2.0,1.0816,0.0,24.237,0.0,3.0,74.0619983673096,4.16666666666667,2.22222222222222,0.0,1.33333333333333
InChI%3D1S%2FC5H13N%2Fc1-2-3-4-5-6%2Fh2-6H2%2C1H3,27.64,0.0,3.0,4.0,0.4185,0.6,29.4141,0.0,5.0,74.0619983673096,6.0,5.0,1.0,5.33333333333333
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,0.0,0.0,2.0,3.0,2.0714,0.4,31.081,3.0,4.0,142.391996383667,6.0,3.2,0.0,3.0
InChI%3D1S%2FC9H12O%2Fc1-2-3-8-4-6-9%2810%297-5-8%2Fh4-7%2C10H%2C2-3H2%2C1H3,20.23,0.0,2.0,6.0,2.3447,0.2,42.1018,0.0,7.0,124.097996711731,8.1,4.0,1.0,2.6508875739645
InChI%3D1S%2FC8H6BrNO5%2Fc1-15-8-6%2810%2813%2914%294%283-11%292-5%289%297%288%2912%2Fh2-3%2C12H%2C1H3,92.35,0.0,3.0,5.0,2.4072,0.2,56.5683,1.0,6.0,269.99399471283,13.0666666666667,5.36507936507936,1.0,2.57142857142857
InChI%3D1S%2FC7H3Cl2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,44.02,0.0,0.0,5.0,2.57068,0.0,42.8418,2.0,6.0,184.988995552063,9.09090909090909,3.6,1.0,1.97530864197531
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%29,32.59,0.0,2.0,7.0,3.9914,0.153846153846154,56.4768,2.0,8.0,209.010994911194,11.0769230769231,5.0242214532872,1.0,3.32409972299169
InChI%3D1S%2FC7H16O%2Fc1-2-3-4-5-6-7-8%2Fh8H%2C2-7H2%2C1H3,20.23,0.0,5.0,6.0,1.9491,0.714285714285714,35.8448,0.0,7.0,100.0759973526,8.0,7.0,1.0,7.2
InChI%3D1S%2FC11H8O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6H%2C1H3,34.14,0.0,0.0,5.0,2.0119,0.0,48.86,0.0,6.0,164.118995666504,9.55102040816327,3.63,0.0,1.64609053497942
InChI%3D1S%2FC6H4Cl2%2Fc7-5-2-1-3-6%288%294-5%2Fh1-4H,0.0,0.0,0.0,3.0,2.9934,0.0,36.462,2.0,4.0,142.971996307373,6.125,2.52,0.0,1.8
InChI%3D1S%2FC11H25N%2Fc1-2-3-4-5-6-7-8-9-10-11-12%2Fh2-12H2%2C1H3,27.64,0.0,9.0,10.0,2.7591,0.818181818181818,57.1161,0.0,11.0,146.127996444702,12.0,11.0,1.0,11.1111111111111
InChI%3D1S%2FC7H4ClFO%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-4H,17.07,0.0,1.0,4.0,2.2916,0.1,36.7975,2.0,5.0,154.526995658875,8.1,3.40828402366864,0.0,1.75
InChI%3D1S%2FC11H18N2O3.Na%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%3B%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29%3B%2Fq%3B%2B1%2Fp-1,85.08,1.0,4.0,7.0,1.6093,0.25,54.7597,0.0,8.0,208.131995201111,14.0625,5.55765595463138,1.0,2.48828125
InChI%3D1S%2FC12H10O%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10H,9.23,0.0,2.0,7.0,3.4789,0.142857142857143,52.958,0.0,8.0,160.130995750427,9.55102040816327,5.0242214532872,0.0,3.0
InChI%3D1S%2FC12H19NO%2Fc1-2-3-4-5-10-14-12-8-6-11%2813%297-9-12%2Fh6-9H%2C2-5%2C10%2C13H2%2C1H3,35.25,0.0,6.0,10.0,3.2279,0.428571428571429,60.4914,0.0,11.0,174.13799571991,12.0714285714286,7.3125,1.0,5.48096885813149
InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%288%296%2811%295%2810%294%282%299%2Fh1%2C11H,20.23,0.0,0.0,4.0,4.0058,0.0,48.1468,4.0,5.0,229.876994132996,9.09090909090909,3.1640625,1.0,1.6
InChI%3D1S%2FC7H12O4%2Fc1-3-10-6%288%295-7%289%2911-4-2%2Fh3-5H2%2C1-2H3,52.6,0.0,6.0,7.0,0.5027,0.6,37.883,0.0,8.0,148.072996139526,11.0,6.69421487603306,0.0,6.4
InChI%3D1S%2FC8H8N2O%2Fc1-5-3-6%282%2910-8%2811%297%285%294-9%2Fh3H%2C1-2H3%2C%28H%2C10%2C11%29,56.91,1.0,0.0,5.0,1.27568,0.0,40.0908,0.0,6.0,140.10099697113,9.09090909090909,3.6,1.0,1.97530864197531
InChI%3D1S%2FC11H18N2O3%2Fc1-4-11%286-5-7%282%293%298%2814%2912-10%2816%2913-9%2811%2915%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29,82.25,1.0,4.0,7.0,1.7368,0.25,56.702,0.0,8.0,208.131995201111,14.0625,5.55765595463138,2.0,3.02972651605232
InChI%3D1S%2FC9H19NO%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh9H%2C3-8H2%2C1-2H3,20.31,0.0,7.0,7.0,2.045,0.7,47.453,0.0,8.0,138.104996681213,11.0,8.1,0.0,6.4
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,0.0,0.0,0.0,1.0,1.9864,0.0,21.347,3.0,2.0,118.369997024536,4.0,1.33333333333333,0.0,0.0
InChI%3D1S%2FC11H15NO2%2Fc1-3-12%284-2%2910-6-5-9%288-13%2911%2814%297-10%2Fh5-8%2C14H%2C3-4H2%2C1-2H3,40.54,0.0,4.0,7.0,2.0509,0.285714285714286,57.0553,0.0,8.0,178.125995635986,12.0714285714286,5.77777777777778,1.0,2.99432892249527
InChI%3D1S%2FC8H7N%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-5H%2C1H3,23.79,0.0,0.0,4.0,1.86668,0.0,35.894,0.0,5.0,110.094997406006,7.11111111111111,3.2396694214876,0.0,1.70414201183432
InChI%3D1S%2FC6H14S2%2Fc1-5%282%297-8-6%283%294%2Fh5-6H%2C1-4H3,50.6,0.0,3.0,4.0,3.1846,0.428571428571429,45.454,0.0,5.0,136.200000762939,8.0,3.9375,0.0,7.2
InChI%3D1S%2FC7H7NO%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H%2C%28H2%2C8%2C9%29,44.08,0.0,1.0,4.0,1.57,0.111111111111111,35.8995,0.0,5.0,114.082997322083,7.11111111111111,3.2396694214876,2.0,2.0
InChI%3D1S%2FC9H11NO2.CH4O3S%2Fc1-2-12-9%2811%297-4-3-5-8%2810%296-7%3B1-5%282%2C3%294%2Fh3-6H%2C2%2C10H2%2C1H3%3B1H3%2C%28H%2C2%2C3%2C4%29,52.32,0.0,3.0,6.0,1.4455,0.25,46.8109,0.0,7.0,154.103996276855,10.0833333333333,4.88888888888889,1.0,3.11418685121107
InChI%3D1S%2FC16H22O4%2Fc1-3-5-10-19-15%2817%2913-8-7-9-14%2812-13%2916%2818%2920-11-6-4-2%2Fh7-9%2C12H%2C3-6%2C10-11H2%2C1-2H3,52.6,0.0,10.0,13.0,3.6004,0.5,76.823,0.0,14.0,256.171993255615,18.05,10.6875,0.0,7.02551020408163
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,28.68,1.0,0.0,2.0,0.7181,0.0,23.3247,0.0,3.0,76.0579986572266,4.16666666666667,1.63265306122449,1.0,0.979591836734694
InChI%3D1S%2FC7H9N%2Fc1-2-7-5-3-4-6-8-7%2Fh3-6H%2C2H2%2C1H3,12.89,1.0,1.0,4.0,1.644,0.125,33.615,0.0,5.0,98.0839977264404,6.125,3.11111111111111,0.0,1.8
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,0.0,0.0,0.0,2.0,3.0682,0.0,30.438,4.0,3.0,165.833995819092,6.0,2.22222222222222,0.0,3.0
InChI%3D1S%2FC11H16%2Fc1-2-3-5-8-11-9-6-4-7-10-11%2Fh4%2C6-7%2C9-10H%2C2-3%2C5%2C8H2%2C1H3,0.0,0.0,4.0,7.0,3.4193,0.363636363636364,49.671,0.0,8.0,132.12099647522,9.09090909090909,5.625,0.0,3.78698224852071
InChI%3D1S%2FC7H8O%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5%2C8H%2C1H3,20.23,0.0,0.0,3.0,1.7006,0.0,32.8438,0.0,4.0,100.0759973526,6.125,2.52,1.0,1.48760330578512
InChI%3D1S%2FC13H11NO3%2Fc14-9-6-7-11%2812%2815%298-9%2913%2816%2917-10-4-2-1-3-5-10%2Fh1-8%2C15H%2C14H2,72.55,0.0,3.0,9.0,2.1936,0.166666666666667,63.9197,0.0,10.0,218.146994590759,13.4320987654321,6.25,2.0,3.72889417360285
InChI%3D1S%2FC8H18S2%2Fc1-3-9-7-5-6-8-10-4-2%2Fh3-8H2%2C1-2H3,50.6,0.0,7.0,8.0,3.2728,0.777777777777778,55.232,0.0,9.0,160.22200012207,10.0,9.0,0.0,9.14285714285714
InChI%3D1S%2FC6H10O3%2Fc1-5%282%296%288%299-4-3-7%2Fh7H%2C1%2C3-4H2%2C2H3,46.53,0.0,4.0,5.0,0.0979999999999999,0.5,32.8588,0.0,6.0,120.062996864319,9.0,4.83950617283951,1.0,4.5
InChI%3D1S%2FC7H4Br2O2%2Fc8-5-1-4%283-10%297%2811%296%289%292-5%2Fh1-3%2C11H,37.3,0.0,1.0,4.0,2.7297,0.0909090909090909,48.8943,2.0,5.0,275.882995605469,9.09090909090909,3.6,1.0,1.97530864197531
InChI%3D1S%2FC6H6BrN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,26.02,0.0,0.0,4.0,2.0313,0.0,38.5544,1.0,5.0,165.976997375488,6.125,2.52,1.0,1.8
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,0.0,0.0,1.0,2.0,2.5938,0.2,30.988,4.0,3.0,165.833995819092,6.0,2.22222222222222,0.0,3.0
InChI%3D1S%2FC9H13N%2Fc1-8-4-6-9%287-5-8%2910%282%293%2Fh4-7H%2C1-3H3,3.24,0.0,1.0,5.0,2.061,0.1,45.506,0.0,6.0,122.105997085571,8.1,3.40828402366864,0.0,2.28571428571429
InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,79.48,0.0,3.0,6.0,1.2432,0.333333333333333,43.6968,0.0,7.0,152.13399887085,10.0,5.76,1.0,5.53086419753086
InChI%3D1S%2FC8H5F3O%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-5H,17.07,0.0,2.0,5.0,2.5179,0.166666666666667,36.8315,3.0,6.0,169.080994606018,10.0833333333333,3.80622837370242,0.0,2.77777777777778
InChI%3D1S%2FC6H5ClO%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C8H,20.23,0.0,0.0,3.0,2.0456,0.0,33.1168,1.0,4.0,123.517996788025,6.125,2.52,1.0,1.48760330578512
InChI%3D1S%2FC10H18%2Fc1-3-5-7-9-10-8-6-4-2%2Fh3-4H%2C1-2%2C5-10H2,0.0,0.0,7.0,8.0,3.699,0.777777777777778,48.096,0.0,9.0,120.109996795654,10.0,9.0,0.0,9.14285714285714
InChI%3D1S%2FC9H14O2%2Fc1-2-9%2810%2911-8-6-4-3-5-7-8%2Fh2%2C8H%2C1%2C3-7H2,26.3,0.0,3.0,6.0,2.0483,0.272727272727273,43.162,0.0,7.0,140.096996307373,9.09090909090909,4.79289940828402,0.0,3.26530612244898
InChI%3D1S%2FC17H18O2%2Fc1-17%282%2C3%2914-7-9-15%2810-8-14%2919-16-6-4-5-13%2811-16%2912-18%2Fh4-12H%2C1-3H3,26.3,0.0,4.0,10.0,4.5889,0.2,77.0455,0.0,11.0,236.184993743896,15.39,6.63520408163265,0.0,4.5
InChI%3D1S%2FC6H12O2%2Fc1-3-4-5-8-6%282%297%2Fh3-5H2%2C1-2H3,26.3,0.0,4.0,5.0,1.3496,0.571428571428571,31.541,0.0,6.0,104.063997268677,8.0,5.14285714285714,0.0,7.2
InChI%3D1S%2FC6H5ClO2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3%2C8-9H,40.46,0.0,0.0,4.0,1.7512,0.0,34.7816,1.0,5.0,139.516996383667,7.11111111111111,2.72222222222222,2.0,1.70414201183432
InChI%3D1S%2FC7H9N%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6%2C8H2,27.64,0.0,1.0,4.0,0.4285,0.125,35.1681,0.0,5.0,98.0839977264404,6.125,3.11111111111111,1.0,1.8
InChI%3D1S%2FC7H16O%2Fc1-5%282%297%288%296%283%294%2Fh5-8H%2C1-4H3,20.23,0.0,2.0,3.0,1.6593,0.285714285714286,35.6828,0.0,4.0,100.0759973526,8.0,3.11111111111111,1.0,2.8125
InChI%3D1S%2FC3H10N2%2Fc1-3%285%292-4%2Fh3H%2C2%2C4-5H2%2C1H3,55.28,0.0,1.0,2.0,-2.1413,0.25,24.3732,0.0,3.0,64.0469989776611,5.0,2.25,2.0,4.0
InChI%3D1S%2FC8H12N2O2S%2Fc1-3-9-6%2811%295-7%2812%2910%284-2%298%289%2913%2Fh3-5H2%2C1-2H3,72.71,1.0,2.0,5.0,0.2478,0.153846153846154,47.5494,0.0,6.0,188.166997909546,11.0769230769231,4.48148148148148,0.0,2.08333333333333
InChI%3D1S%2FC7H4Cl2O%2Fc8-6-2-1-5%284-10%297%289%293-6%2Fh1-4H,17.07,0.0,1.0,5.0,2.8059,0.1,41.8495,2.0,6.0,170.981995582581,8.1,3.40828402366864,0.0,1.99111111111111
InChI%3D1S%2FC8H11NO%2Fc10-6-2-4-8-3-1-5-9-7-8%2Fh1%2C3%2C5%2C7%2C10H%2C2%2C4%2C6H2,33.12,1.0,3.0,6.0,1.0065,0.3,39.6438,0.0,7.0,126.093997001648,8.1,4.7603305785124,1.0,3.11111111111111
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,0.0,0.0,0.0,1.0,1.4215,0.0,16.573,2.0,2.0,82.9169979095459,3.0,2.0,0.0,0.0
InChI%3D1S%2FC6H14S2%2Fc1-3-7-5-6-8-4-2%2Fh3-6H2%2C1-2H3,50.6,0.0,5.0,6.0,2.4926,0.714285714285714,45.998,0.0,7.0,136.200000762939,8.0,7.0,0.0,7.2
InChI%3D1S%2FC6H15NO%2Fc1-3-7%284-2%295-6-8%2Fh8H%2C3-6H2%2C1-2H3,24.67,0.0,4.0,4.0,-1.0966,0.571428571428571,36.1315,0.0,5.0,102.071997642517,8.0,5.14285714285714,2.0,3.6734693877551
InChI%3D1S%2FC6H4FNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H,45.82,0.0,1.0,5.0,2.2571,0.1,35.222,1.0,6.0,137.068996429443,8.1,3.40828402366864,0.0,2.28571428571429
InChI%3D1S%2FC6H12O%2Fc1-5%287%296%282%2C3%294%2Fh1-4H3,17.07,0.0,1.0,2.0,1.6215,0.166666666666667,30.136,0.0,3.0,88.0649976730347,7.0,1.85185185185185,0.0,2.66666666666667
InChI%3D1S%2FC11H14O4%2Fc1-7%2812%298-5-6-9%2813-2%2911%2815-4%2910%288%2914-3%2Fh5-6H%2C1-4H3,44.76,0.0,4.0,6.0,1.915,0.266666666666667,56.1025,0.0,7.0,196.116994857788,13.0666666666667,5.915,0.0,2.76543209876543
InChI%3D1S%2FC13H26O%2Fc1-3-4-5-6-7-8-9-10-11-12-13%282%2914%2Fh3-12H2%2C1-2H3,17.07,0.0,10.0,11.0,4.4963,0.769230769230769,62.525,0.0,12.0,172.141995429993,14.0,11.0769230769231,0.0,13.0909090909091
InChI%3D1S%2FC6H14%2Fc1-3-5-6-4-2%2Fh3-6H2%2C1-2H3,0.0,0.0,3.0,4.0,2.5866,0.6,29.816,0.0,5.0,72.0659980773926,6.0,5.0,0.0,5.33333333333333
InChI%3D1S%2FC7H4Cl4%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3%2C7H,0.0,0.0,1.0,4.0,4.4696,0.0909090909090909,50.909,4.0,5.0,225.888994216919,9.09090909090909,3.6,0.0,1.97530864197531
InChI%3D1S%2FC7H13N3O3S%2Fc1-8-7%2812%2913-9-5%2814-4%296%2811%2910%282%293%2Fh1-4H3%2C%28H%2C8%2C12%29,99.79,0.0,5.0,7.0,0.3115,0.384615384615385,56.7168,0.0,8.0,206.161997795105,14.0,7.3125,1.0,5.48096885813149
InChI%3D1S%2FC12H8BrNO%2Fc13-11-5-3-9%284-6-11%2912%2815%2910-2-1-7-14-8-10%2Fh1-8H,29.96,1.0,2.0,8.0,3.0751,0.125,61.8115,1.0,9.0,254.041995048523,11.484375,5.36507936507936,0.0,2.98224852071006
InChI%3D1S%2FC10H16O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7H%2C4-6H2%2C1-3H3,17.07,0.0,0.0,3.0,2.4017,0.0,44.236,0.0,4.0,136.108996391296,7.63888888888889,1.83673469387755,0.0,0.665972944849116
InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2,26.02,0.0,0.0,3.0,1.2688,0.0,30.8544,0.0,4.0,86.072998046875,5.14285714285714,2.34375,1.0,1.5