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

SMILES,nAtomLC,ALogP,nAtom,nRotB,MLogP,nB,AMR,XLogP,ALogp2,nAtomP
InChI%3D1S%2FC12H19N%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9H%2C13H2%2C1-4H3,3.0,0.961300015449524,32.0,2.0,2.67000007629395,13.0,60.601001739502,2.83299994468689,0.924097716808319,7.0
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,0.0,1.94780004024506,18.0,0.0,2.55999994277954,11.0,49.1528015136719,3.22399997711182,3.7939248085022,10.0
InChI%3D1S%2FC14H9Cl5O%2Fc15-11-5-1-9%282-6-11%2913%2820%2C14%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C20H,6.0,4.09600019454956,29.0,3.0,2.33999991416931,21.0,94.7104034423828,3.36500000953674,16.7772159576416,6.0
InChI%3D1S%2FC8H17Br%2Fc1-2-3-4-5-6-7-8-9%2Fh2-8H2%2C1H3,9.0,-0.776300013065338,26.0,6.0,2.23000001907349,8.0,36.6795997619629,4.93900012969971,0.602641701698303,0.0
InChI%3D1S%2FC7H5NO4%2Fc9-4-5-3-6%2810%291-2-7%285%298%2811%2912%2Fh1-4%2C10H,2.0,-0.699299991130829,17.0,2.0,1.67999994754791,12.0,11.7442998886108,1.37100005149841,0.489020496606827,12.0
InChI%3D1S%2FC12H12N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29,2.0,0.0842000022530556,29.0,2.0,2.23000001907349,18.0,64.2021026611328,2.11100006103516,0.00708964001387358,8.0
InChI%3D1S%2FC9H10O%2Fc1-2-5-8-6-3-4-7-9%288%2910%2Fh2-4%2C6-7%2C10H%2C1%2C5H2,3.0,1.67340004444122,20.0,2.0,2.33999991416931,10.0,46.2430000305176,1.98300004005432,2.80026745796204,7.0
InChI%3D1S%2FC9H10O3%2Fc1-2-12-9-5-7%286-10%293-4-8%289%2911%2Fh3-6%2C11H%2C2H2%2C1H3,3.0,0.204099997878075,22.0,3.0,2.11999988555908,12.0,48.5723991394043,1.01199996471405,0.0416568107903004,10.0
InChI%3D1S%2FC6H12O%2Fc7-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2,0.0,-1.95070004463196,19.0,0.0,2.00999999046326,7.0,20.5205001831055,1.3289999961853,3.80523037910461,0.0
InChI%3D1S%2FC7H5ClO%2Fc8-7-3-1-6%285-9%292-4-7%2Fh1-5H,2.0,1.38409996032715,14.0,1.0,2.00999999046326,9.0,40.7458000183105,1.00699996948242,1.91573286056519,8.0
InChI%3D1S%2FC12H10S2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H,2.0,3.09439992904663,24.0,3.0,2.55999994277954,15.0,76.1539993286133,2.39199995994568,9.5753116607666,6.0
InChI%3D1S%2FC6H7N%2Fc1-6-3-2-4-7-5-6%2Fh2-5H%2C1H3,0.0,0.165000006556511,14.0,0.0,2.00999999046326,7.0,31.6683006286621,0.140000000596046,0.0272250007838011,6.0
InChI%3D1S%2FC6H7ClN.HI%2Fc1-8-5-3-2-4-6%288%297%3B%2Fh2-5H%2C1H3%3B1H%2Fq%2B1%3B%2Fp-1,0.0,,17.0,0.0,1.78999996185303,8.0,,2.8989999294281,,0.0
InChI%3D1S%2FC8H10O2%2Fc9-6-7-10-8-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2,4.0,0.365399986505508,20.0,3.0,2.11999988555908,10.0,43.8916015625,0.558000028133392,0.133517161011696,7.0
InChI%3D1S%2FC18H39O7P%2Fc1-4-7-10-20-13-16-23-26%2819%2C24-17-14-21-11-8-5-2%2925-18-15-22-12-9-6-3%2Fh4-18H2%2C1-3H3,26.0,-2.03069996833801,65.0,21.0,2.55999994277954,25.0,93.4414978027344,2.78999996185303,4.12374258041382,5.0
InChI%3D1S%2FC9H10O3%2Fc1-11-8-4-3-7%286-10%299%285-8%2912-2%2Fh3-6H%2C1-2H3,2.0,0.0182000007480383,22.0,3.0,2.11999988555908,12.0,49.3166007995605,0.910000026226044,0.000331240007653832,10.0
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,8.0,3.37639999389648,8.0,1.0,1.01999998092651,7.0,41.8779983520508,3.88199996948242,11.4000768661499,0.0
InChI%3D1S%2FC5H8F4O%2Fc1-4%282%2C10%295%288%2C9%293%286%297%2Fh3%2C10H%2C1-2H3,10.0,1.22920000553131,18.0,2.0,1.46000003814697,9.0,26.5454998016357,2.16799998283386,1.5109326839447,0.0
InChI%3D1S%2FC15H24O%2Fc1-10-8-11%2814%282%2C3%294%2913%2816%2912%289-10%2915%285%2C6%297%2Fh8-9%2C16H%2C1-7H3,3.0,4.00790023803711,40.0,2.0,3.0,16.0,72.6567001342773,4.46000003814697,16.0632629394531,7.0
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H,0.0,0.277200013399124,14.0,0.0,1.89999997615814,8.0,34.1668014526367,1.08299994468689,0.076839841902256,8.0
InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3H%2C%28H2%2C10%2C11%29,3.0,1.86360001564026,16.0,1.0,1.78999996185303,11.0,47.6445007324219,1.90900003910065,3.47300505638123,9.0
InChI%3D1S%2FC19H12O6%2Fc20-16-10-5-1-3-7-14%2810%2924-18%2822%2912%2816%299-13-17%2821%2911-6-2-4-8-15%2811%2925-19%2813%2923%2Fh1-8%2C20-21H%2C9H2,0.0,0.091399997472763,41.0,2.0,2.89000010490417,28.0,94.743797302246,-0.104000002145767,0.00835395976901054,9.0
InChI%3D1S%2FC2H2ClN%2Fc3-1-2-4%2Fh1H2,4.0,0.577199995517731,6.0,0.0,1.46000003814697,3.0,16.37619972229,0.26800000667572,0.3331598341465,2.0
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%29,3.0,-0.203099995851517,17.0,2.0,1.67999994754791,12.0,40.9314994812012,-0.569000005722046,0.0412496104836464,12.0
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,0.0,1.85249996185303,23.0,1.0,2.67000007629395,14.0,61.0769004821777,2.57100009918213,3.43175625801086,13.0
InChI%3D1S%2FC13H29NO4%2Fc1-6-15-12%2816-7-2%2910-14%285%2911-13%2817-8-3%2918-9-4%2Fh12-13H%2C6-11H2%2C1-5H3,18.0,1.19749999046326,47.0,12.0,2.33999991416931,17.0,70.8125,1.34300005435944,1.43400621414185,0.0
InChI%3D1S%2FC10H12O%2Fc1-8%282%2910-5-3-9%287-11%294-6-10%2Fh3-8H%2C1-2H3,3.0,1.39269995689392,23.0,2.0,2.45000004768372,11.0,49.0773010253906,2.42300009727478,1.93961334228516,8.0
InChI%3D1S%2FC7H14O%2Fc1-4-6%282%297%283%295-8%2Fh5-7H%2C4H2%2C1-3H3,8.0,-0.000899999984540045,22.0,3.0,2.11999988555908,7.0,32.9935989379883,2.52600002288818,8.10000017281709e-07,1.0
InChI%3D1S%2FC16H25NO2%2Fc1-3-4-5-6-7-10-13-19-16-12-9-8-11-15%2816%2917-14%282%2918%2Fh8-9%2C11-12H%2C3-7%2C10%2C13H2%2C1-2H3%2C%28H%2C17%2C18%29,9.0,-1.3811000585556,44.0,9.0,2.89000010490417,19.0,73.2116012573242,4.56300020217896,1.90743720531464,10.0
InChI%3D1S%2FC4H9Br%2Fc1-2-3-4-5%2Fh2-4H2%2C1H3,5.0,0.375699996948242,14.0,2.0,1.78999996185303,4.0,25.0331993103027,2.66300010681152,0.141150489449501,0.0
InChI%3D1S%2FC9H16O2%2Fc1-3-5-6-7-8-11-9%2810%294-2%2Fh4H%2C2-3%2C5-8H2%2C1H3,11.0,-0.57940000295639,27.0,7.0,2.23000001907349,10.0,38.6211013793945,3.02099990844727,0.335704356431961,5.0
InChI%3D1S%2FC10H22N2%2Fc1-9%282%2C11%298-4-6-10%283%2C12%297-5-8%2Fh8H%2C4-7%2C11-12H2%2C1-3H3,4.0,-0.0348000004887581,34.0,1.0,2.33999991416931,12.0,50.8577003479004,1.442999958992,0.00121103995479643,0.0
InChI%3D1S%2FC12H8F2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H,0.0,1.5786999464035,23.0,2.0,2.45000004768372,16.0,62.4416999816895,1.97300004959106,2.4922935962677,13.0
InChI%3D1S%2FC5H10O%2Fc1-2-3-4-5-6%2Fh5H%2C2-4H2%2C1H3,6.0,-0.682299971580505,16.0,3.0,1.89999997615814,5.0,22.5650005340576,1.72500002384186,0.465533286333084,1.0
InChI%3D1S%2FC8H10N2O3%2Fc1-2-13-6-3-4-7%289%298%285-6%2910%2811%2912%2Fh3-5H%2C2%2C9H2%2C1H3,3.0,-0.597899973392487,23.0,3.0,1.78999996185303,13.0,18.7175006866455,2.49000000953674,0.357484400272369,11.0
InChI%3D1S%2FC8H18S2%2Fc1-9-7-5-3-4-6-8-10-2%2Fh3-8H2%2C1-2H3,10.0,0.256999999284744,28.0,7.0,2.11999988555908,9.0,48.0512008666992,3.71399998664856,0.0660490021109581,0.0
InChI%3D1S%2FC3H7Br%2Fc1-2-3-4%2Fh2-3H2%2C1H3,4.0,0.663699984550476,11.0,1.0,1.67999994754791,3.0,22.1215991973877,2.09400010108948,0.440497696399689,0.0
InChI%3D1S%2FC6H12%2Fc1-2-4-6-5-3-1%2Fh1-6H2,0.0,-1.72800004482269,18.0,0.0,2.11999988555908,6.0,17.4696006774902,3.41400003433228,2.98598408699036,0.0
InChI%3D1S%2FC3H5N%2Fc1-2-3-4%2Fh2H2%2C1H3,4.0,0.120800003409386,9.0,0.0,1.67999994754791,3.0,16.6464996337891,0.284000009298325,0.0145926401019096,1.0
InChI%3D1S%2FC5H4ClNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H,0.0,0.726499974727631,12.0,0.0,1.67999994754791,8.0,33.8956985473633,0.824000000953674,0.527802228927612,7.0
InChI%3D1S%2FC12H17NO%2Fc1-4-13%285-2%2912%2814%2911-8-6-7-10%283%299-11%2Fh6-9H%2C4-5H2%2C1-3H3,7.0,1.72479999065399,31.0,4.0,2.55999994277954,14.0,61.4402008056641,2.15199995040894,2.97493505477905,9.0
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3,6.0,0.981800019741058,18.0,1.0,1.89999997615814,5.0,26.8162994384766,1.32000005245209,0.963931262493134,0.0
InChI%3D1S%2FC12H10N2O%2Fc15-12-8-6-11%287-9-12%2914-13-10-4-2-1-3-5-10%2Fh1-9%2C15H%2Fb14-13-,2.0,1.35010004043579,25.0,2.0,2.45000004768372,16.0,62.1725006103516,2.50799989700317,1.82276999950409,15.0
InChI%3D1S%2FC4H6Cl2%2Fc1-4%282-5%293-6%2Fh1-3H2,6.0,2.02369999885559,12.0,2.0,1.67999994754791,5.0,29.5827007293701,1.47800004482269,4.09536170959473,2.0
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%2C1-4H3,19.0,1.96410000324249,38.0,11.0,1.57000005245209,18.0,77.2726974487305,2.00699996948242,3.85768890380859,4.0
InChI%3D1S%2FC10H16%2Fc1-7-2-9-4-8%281%295-10%283-7%296-9%2Fh7-10H%2C1-6H2,0.0,-0.850000023841858,26.0,0.0,2.55999994277954,12.0,40.4035987854004,4.76599979400635,0.722500026226044,0.0
InChI%3D1S%2FC8H12N2%2Fc9-7-5-3-1-2-4-6-8-10%2Fh1-6H2,10.0,-1.01300001144409,22.0,5.0,2.11999988555908,9.0,33.1419982910156,1.36600005626678,1.02616894245148,2.0
InChI%3D1S%2FC8H6Cl2O%2Fc1-5%2811%297-3-2-6%289%294-8%287%2910%2Fh2-4H%2C1H3,3.0,1.69130003452301,17.0,1.0,2.00999999046326,11.0,49.9384994506836,1.76499998569489,2.86049580574036,8.0
InChI%3D1S%2FC6H12O%2Fc1-3-4-5-6%282%297%2Fh3-5H2%2C1-2H3,7.0,-0.743799984455109,19.0,3.0,2.00999999046326,6.0,27.0415000915527,1.57599997520447,0.553238451480865,1.0
InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H,0.0,1.49279999732971,24.0,2.0,2.67000007629395,14.0,63.867000579834,1.89400005340576,2.2284517288208,13.0
InChI%3D1S%2FC9H12O%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5%2C10H%2C1-3H3,0.0,2.17950010299683,22.0,0.0,2.33999991416931,10.0,45.407299041748,1.70000004768372,4.75022029876709,7.0
InChI%3D1S%2FC8H19O2PS3%2Fc1-4-9-11%2812%2C10-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3,14.0,3.03049993515015,33.0,9.0,1.67999994754791,13.0,72.6323013305664,4.16699981689453,9.18393039703369,4.0
InChI%3D1S%2FC12H16O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-3%2C6-7%2C11-13H%2C4-5%2C8-9H2%2Ft11%3F%2C12-%2Fm1%2Fs1,0.0,-0.217399999499321,29.0,1.0,2.67000007629395,14.0,51.6875991821289,2.51300001144409,0.0472627617418766,6.0
InChI%3D1S%2FC9H9N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh1-3H%2C7-9H2,10.0,2.34270000457764,19.0,3.0,2.33999991416931,9.0,40.3272018432617,0.866999983787537,5.48824310302734,2.0
InChI%3D1S%2FC4H11NO%2Fc1-2-5-3-4-6%2Fh5-6H%2C2-4H2%2C1H3,6.0,-0.504800021648407,17.0,3.0,1.67999994754791,5.0,25.2794990539551,-0.462000012397766,0.25482302904129,0.0
InChI%3D1S%2FC6H10%2Fc1-3-5-6-4-2%2Fh3-6H%2C1-2H3,6.0,1.81459999084473,16.0,1.0,2.11999988555908,5.0,32.1021995544434,3.00399994850159,3.29277324676514,4.0
InChI%3D1S%2FC8H18S2%2Fc1-7%282%2C3%299-10-8%284%2C5%296%2Fh1-6H3,10.0,3.24839997291565,28.0,3.0,2.11999988555908,9.0,54.5880012512207,3.66599988937378,10.5521020889282,0.0
InChI%3D1S%2FC13H8Cl2O2%2Fc14-12-5-4-11%287-13%2812%2915%2917-10-3-1-2-9%286-10%298-16%2Fh1-8H,2.0,2.1085000038147,25.0,3.0,2.45000004768372,18.0,76.6922988891602,2.5090000629425,4.44577217102051,15.0
InChI%3D1S%2FC10H15N%2Fc1-2-3-4-9-5-7-10%2811%298-6-9%2Fh5-8H%2C2-4%2C11H2%2C1H3,4.0,-0.451200008392334,26.0,3.0,2.45000004768372,11.0,49.8727989196777,2.52900004386902,0.203581437468529,7.0
InChI%3D1S%2FC14H18O4%2Fc1-3-17-13%2815%2912%2814%2816%2918-4-2%2910-11-8-6-5-7-9-11%2Fh5-9%2C12H%2C3-4%2C10H2%2C1-2H3,12.0,1.90750002861023,36.0,8.0,2.55999994277954,18.0,70.6763000488281,2.86299991607666,3.63855624198914,6.0
InChI%3D1S%2FC14H26O4%2Fc1-3-5-11-17-13%2815%299-7-8-10-14%2816%2918-12-6-4-2%2Fh3-12H2%2C1-2H3,18.0,-1.71480000019073,44.0,13.0,2.55999994277954,17.0,60.3731994628906,3.34800004959106,2.94053912162781,3.0
InChI%3D1S%2FC8H14O%2Fc1-7%282%295-4-6-8%283%299%2Fh5H%2C4%2C6H2%2C1-3H3,9.0,1.59270000457764,23.0,3.0,2.23000001907349,8.0,39.8740997314453,1.7960000038147,2.53669333457947,2.0
InChI%3D1S%2FC7H15Br%2Fc1-2-3-4-5-6-7-8%2Fh2-7H2%2C1H3,8.0,-0.488299995660782,23.0,5.0,2.11999988555908,7.0,33.7680015563965,4.36999988555908,0.23843689262867,0.0
InChI%3D1S%2FC15H24O%2Fc1-2-3-4-5-6-7-8-9-14-10-12-15%2816%2913-11-14%2Fh10-13%2C16H%2C2-9H2%2C1H3,9.0,-1.25759994983673,40.0,8.0,3.0,16.0,62.486499786377,5.78499984741211,1.5815577507019,7.0
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-4-2-3-5-8%287%2911%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,4.0,0.321799993515015,20.0,1.0,2.00999999046326,11.0,45.7897987365723,0.61599999666214,0.103555239737034,10.0
InChI%3D1S%2FC5H10O%2Fc1-5%282%293-4-6%2Fh4-5H%2C3H2%2C1-2H3,6.0,0.415300011634827,16.0,2.0,1.89999997615814,5.0,25.1109008789062,1.66400003433228,0.172474086284637,1.0
InChI%3D1S%2FC17H19NO3%2Fc19-17%2818-10-4-1-5-11-18%297-3-2-6-14-8-9-15-16%2812-14%2921-13-20-15%2Fh2-3%2C6-9%2C12H%2C1%2C4-5%2C10-11%2C13H2%2Fb6-2-%2C7-3-,6.0,-0.635200023651123,40.0,4.0,2.89000010490417,23.0,82.0260009765625,2.51799988746643,0.403479039669037,15.0
InChI%3D1S%2FC9H10O4%2Fc1-12-6-3-8%2811%297%285-10%299%284-6%2913-2%2Fh3-5%2C11H%2C1-2H3,2.0,-0.544900000095367,23.0,3.0,2.00999999046326,13.0,50.9221000671387,1.25800001621246,0.296916007995605,11.0
InChI%3D1S%2FC5H4N2O3%2Fc8-4-2-1-3-6-5%284%297%289%2910%2Fh1-3%2C8H,2.0,-0.944000005722046,14.0,1.0,1.46000003814697,10.0,101.295303344727,1.13800001144409,0.89113599061966,10.0
InChI%3D1S%2FC13H13NO%2Fc14-12-7-4-8-13%289-12%2915-10-11-5-2-1-3-6-11%2Fh1-9H%2C10%2C14H2,2.0,0.825200021266937,28.0,3.0,2.67000007629395,16.0,69.9002990722656,1.65600001811981,0.680955052375793,8.0
InChI%3D1S%2FC12H27N%2Fc1-3-5-7-9-11-13-12-10-8-6-4-2%2Fh13H%2C3-12H2%2C1-2H3,13.0,-2.59859991073608,40.0,10.0,2.67000007629395,12.0,47.8146018981934,4.80000019073486,6.75272178649902,0.0
InChI%3D1S%2FC7H14N2O2S%2Fc1-7%282%2C12-4%295-9-11-6%2810%298-3%2Fh5H%2C1-4H3%2C%28H%2C8%2C10%29,12.0,1.48800003528595,26.0,4.0,1.67999994754791,11.0,50.0533981323242,2.26799988746643,2.21414399147034,6.0
InChI%3D1S%2FC8H16O%2Fc1-3-4-5-6-7-8%282%299%2Fh3-7H2%2C1-2H3,9.0,-1.31980001926422,25.0,5.0,2.23000001907349,8.0,32.8647003173828,2.71399998664856,1.74187207221985,1.0
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,0.0,-0.706900000572205,13.0,0.0,1.78999996185303,5.0,16.86669921875,0.526000022888184,0.499707609415054,0.0
InChI%3D1S%2FC10H22S2%2Fc1-3-7-11-9-5-6-10-12-8-4-2%2Fh3-10H2%2C1-2H3,12.0,0.178200006484985,34.0,9.0,2.33999991416931,11.0,57.8796005249023,4.42999982833862,0.0317552387714386,0.0
InChI%3D1S%2FC6H8N2%2Fc7-5-3-1-2-4-6-8%2Fh1-4H2,8.0,-0.437000006437302,16.0,3.0,1.89999997615814,7.0,27.3187999725342,0.228000000119209,0.190969005227089,2.0
InChI%3D1S%2FC3HBr3N2%2Fc4-1-2%285%298-3%286%297-1%2Fh%28H%2C7%2C8%29,0.0,2.13579988479614,13.0,0.0,1.24000000953674,8.0,42.9810981750488,1.71099996566772,4.56164169311523,0.0
InChI%3D1S%2FC12H10O3%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8%2C13-14H,0.0,0.63289999961853,25.0,2.0,2.45000004768372,16.0,65.397102355957,1.5789999961853,0.400562405586243,15.0
InChI%3D1S%2FC7H6O2%2Fc8-5-6-3-1-2-4-7%286%299%2Fh1-5%2C9H,2.0,0.452300012111664,15.0,1.0,2.00999999046326,9.0,37.6351013183594,0.989000022411346,0.204575285315514,9.0
InChI%3D1S%2FC7H5BrO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H,2.0,0.90499997138977,15.0,1.0,1.89999997615814,10.0,45.1693000793457,1.53100001811981,0.819024980068207,9.0
InChI%3D1S%2FC9H16O%2Fc1-5-9%284%2C10%297-6-8%282%293%2Fh1%2C8%2C10H%2C6-7H2%2C2-4H3,10.0,1.54330003261566,26.0,3.0,2.33999991416931,9.0,41.535701751709,2.40899991989136,2.38177490234375,2.0
InChI%3D1S%2FC7H8O%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5%2C8H%2C1H3,0.0,1.28670001029968,16.0,0.0,2.11999988555908,8.0,36.8432998657227,1.33800005912781,1.65559685230255,7.0
InChI%3D1S%2FC8H8O%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-6H%2C1H3,1.0,1.4617999792099,17.0,1.0,2.23000001907349,9.0,40.3115997314453,1.45500004291534,2.13685917854309,8.0
InChI%3D1S%2FC8H7ClO2%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5H%2C1H3,4.0,1.58770000934601,18.0,2.0,2.00999999046326,11.0,46.440299987793,1.24699997901917,2.52079129219055,9.0
InChI%3D1S%2FC9H14O3%2Fc1-7%282%299%2810%2912-6-8-4-3-5-11-8%2Fh8H%2C1%2C3-6H2%2C2H3,7.0,0.305500000715256,26.0,4.0,2.11999988555908,12.0,40.9855003356934,1.06700003147125,0.0933302491903305,5.0
InChI%3D1S%2FC7H4F3NO3%2Fc8-7%289%2C10%295-3-4%2812%291-2-6%285%2911%2813%2914%2Fh1-3%2C12H,3.0,0.591199994087219,18.0,2.0,1.46000003814697,14.0,11.8850002288818,2.83400011062622,0.349517434835434,10.0
InChI%3D1S%2FC7H6O3.Na%2Fc8-6-4-2-1-3-5%286%297%289%2910%3B%2Fh1-4%2C8H%2C%28H%2C9%2C10%29%3B%2Fq%3B%2B1%2Fp-1,3.0,,16.0,1.0,1.78999996185303,10.0,,1.71000003814697,,10.0
InChI%3D1S%2FC3H6Br2O%2Fc4-1-3%285%292-6%2Fh3%2C6H%2C1-2H2,6.0,1.29009997844696,12.0,2.0,1.46000003814697,5.0,32.5850982666016,1.5809999704361,1.6643580198288,0.0
InChI%3D1S%2FC2HCl5%2Fc3-1%284%292%285%2C6%297%2Fh1H,7.0,2.88779997825623,8.0,1.0,1.12999999523163,6.0,36.3208999633789,3.22900009155273,8.33938884735107,0.0
InChI%3D1S%2FC8H10O%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6%2C9H%2C2H2%2C1H3,2.0,0.951600015163422,19.0,1.0,2.23000001907349,9.0,41.6916999816895,1.80200004577637,0.905542552471161,7.0
InChI%3D1S%2FC10H8O%2Fc11-10-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7%2C11H,0.0,1.38469994068146,19.0,0.0,2.45000004768372,12.0,50.75830078125,1.87699997425079,1.91739404201508,11.0
InChI%3D1S%2FC4H5N%2Fc1-2-3-4-5%2Fh2H%2C1%2C3H2,5.0,0.77700001001358,10.0,1.0,1.78999996185303,4.0,20.8950004577637,0.675999999046326,0.603729009628296,2.0
InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-4H,3.0,2.14499998092651,16.0,1.0,1.89999997615814,12.0,41.1487998962402,1.54799997806549,4.60102510452271,8.0
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,2.0,0.548799991607666,19.0,2.0,1.57000005245209,13.0,11.273699760437,2.68199992179871,0.301181435585022,12.0
InChI%3D1S%2FC7H6BrNO%2Fc8-6-3-1-2-5%284-6%297%289%2910%2Fh1-4H%2C%28H2%2C9%2C10%29,3.0,1.57889997959137,16.0,1.0,1.89999997615814,10.0,45.7462997436523,1.50800001621246,2.49292516708374,9.0
InChI%3D1S%2FC8H6ClNO4%2Fc1-14-8%2811%296-3-2-5%289%294-7%286%2910%2812%2913%2Fh2-4H%2C1H3,4.0,0.341699987649918,20.0,3.0,1.67999994754791,14.0,39.2047996520996,0.975000023841858,0.116758890450001,12.0
InChI%3D1S%2FC10H24N4%2Fc11-3-1-5-13-7-9-14%2810-8-13%296-2-4-12%2Fh1-12H2,4.0,-1.95659995079041,38.0,6.0,2.11999988555908,14.0,57.7610015869141,-1.12999999523163,3.8282835483551,0.0
InChI%3D1S%2FC10H18O4%2Fc1-3-13-9%2811%297-5-6-8-10%2812%2914-4-2%2Fh3-8H2%2C1-2H3,14.0,0.0167999994009733,32.0,9.0,2.11999988555908,13.0,47.4860000610352,1.49399995803833,0.000282240012893453,3.0
InChI%3D1S%2FC6H4Cl2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H,0.0,1.57770001888275,13.0,0.0,1.78999996185303,9.0,41.9936981201172,1.88900005817413,2.48913717269897,7.0
InChI%3D1S%2FC7H12O%2Fc8-7-4-5-1-2-6%287%293-5%2Fh5-8H%2C1-4H2%2Ft5-%2C6%2B%2C7%2B%2Fm0%2Fs1,0.0,-0.293700009584427,20.0,0.0,2.11999988555908,9.0,29.7889003753662,1.22500002384186,0.0862596929073334,0.0
InChI%3D1S%2FC8H19NO%2Fc1-7%282%299%285-6-10%298%283%294%2Fh7-8%2C10H%2C5-6H2%2C1-4H3,10.0,-0.319499999284744,29.0,4.0,2.11999988555908,9.0,45.2775993347168,1.12000000476837,0.102080248296261,0.0
InChI%3D1S%2FC17H13N%2Fc1-3-8-14%289-4-1%2916-12-7-13-17%2818-16%2915-10-5-2-6-11-15%2Fh1-13H,0.0,2.69210004806519,31.0,2.0,3.22000002861023,20.0,85.9643020629883,2.77099990844727,7.24740219116211,18.0
InChI%3D1S%2FC8H19O3PS2%2Fc1-4-10-12%289%2C11-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3,14.0,2.1314001083374,33.0,9.0,1.67999994754791,13.0,64.6414031982422,2.21600008010864,4.54286575317383,4.0
InChI%3D1S%2FC5H13N%2Fc1-4%282%295%283%296%2Fh4-5H%2C6H2%2C1-3H3,6.0,-0.176100000739098,19.0,1.0,1.89999997615814,5.0,27.7865009307861,0.972000002861023,0.0310112107545137,0.0
InChI%3D1S%2FC16H22O4%2Fc1-3-5-11-19-15%2817%2913-9-7-8-10-14%2813%2916%2818%2920-12-6-4-2%2Fh7-10H%2C3-6%2C11-12H2%2C1-2H3,7.0,-0.196199998259544,42.0,10.0,2.77999997138977,20.0,73.9672012329102,3.64599990844727,0.0384944416582584,12.0
InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3,3.0,1.78069996833801,21.0,1.0,2.45000004768372,9.0,44.0035018920898,3.44199991226196,3.17089247703552,6.0
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,0.0,2.68379998207092,13.0,0.0,1.46000003814697,12.0,56.1422996520996,3.61999988555908,7.20278263092041,7.0
InChI%3D1S%2FC5H12ClN.ClH%2Fc1-7%282%295-3-4-6%3B%2Fh3-5H2%2C1-2H3%3B1H,7.0,0.697300016880035,21.0,3.0,1.67999994754791,6.0,32.2430000305176,1.69799995422363,0.486227303743362,0.0
InChI%3D1S%2FC10H9NO6%2Fc1-16-9%2812%296-3-4-7%2810%2813%2917-2%298%285-6%2911%2814%2915%2Fh3-5H%2C1-2H3,4.0,-0.0241999998688698,26.0,5.0,1.78999996185303,17.0,26.8626003265381,1.79900002479553,0.000585640023928136,15.0
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InChI%3D1S%2FC10H6N2O5.Na.2H2O%2Fc13-10-7-4-2-1-3-6%287%298%2811%2814%2915%295-9%2810%2912%2816%2917%3B%3B%3B%2Fh1-5%2C13H%3B%3B2%2A1H2%2Fq%3B%2B1%3B%3B%2Fp-1,3.0,,29.0,2.0,1.46000003814697,18.0,,,,17.0
InChI%3D1S%2FC10H17N%2Fc11-10-4-7-1-8%285-10%293-9%282-7%296-10%2Fh7-9H%2C1-6%2C11H2,0.0,-1.5786999464035,28.0,0.0,2.45000004768372,13.0,44.1259002685547,2.31200003623962,2.4922935962677,0.0
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InChI%3D1S%2FC5H4ClNO%2Fc6-4-2-1-3-5%288%297-4%2Fh1-3H%2C%28H%2C7%2C8%29,0.0,1.2422000169754,12.0,0.0,1.67999994754791,8.0,33.2155990600586,0.824000000953674,1.54306089878082,7.0
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InChI%3D1S%2FC8H10%2Fc1-7-3-5-8%282%296-4-7%2Fh3-6H%2C1-2H3,0.0,2.29620003700256,18.0,0.0,2.33999991416931,8.0,39.5197982788086,2.8659999370575,5.27253437042236,6.0
InChI%3D1S%2FC6H5NO%2Fc8-5-6-2-1-3-7-4-6%2Fh1-5H,2.0,-0.669399976730347,13.0,1.0,1.89999997615814,8.0,32.4600982666016,-0.426999986171722,0.448096364736557,8.0
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InChI%3D1S%2FC10H18O2%2Fc1-2-3-4-5-6-9-7-8-10%2811%2912-9%2Fh9H%2C2-8H2%2C1H3,6.0,-1.78340005874634,30.0,5.0,2.33999991416931,12.0,37.6071014404297,3.31299996376038,3.18051552772522,3.0
InChI%3D1S%2FC12H16%2Fc1-5-10-6-8-11%289-7-10%2912%282%2C3%294%2Fh5-9H%2C1H2%2C2-4H3,3.0,3.27589988708496,28.0,2.0,2.77999997138977,12.0,57.7896003723145,4.70900011062622,10.731520652771,8.0
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InChI%3D1S%2FC7H3Br2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,2.0,1.58480000495911,14.0,0.0,1.78999996185303,11.0,52.6082000732422,1.88199996948242,2.5115909576416,9.0
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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,2.0,1.91059994697571,35.0,3.0,3.22000002861023,22.0,97.8239974975586,1.97699999809265,3.65039229393005,20.0
InChI%3D1S%2FC5H6ClN3%2Fc1-3-2-4%286%299-5%287%298-3%2Fh2H%2C1H3%2C%28H2%2C7%2C8%2C9%29,0.0,-0.0907000005245209,19.0,0.0,1.57000005245209,9.0,32.6875991821289,1.33200001716614,0.00822648964822292,4.0
InChI%3D1S%2FC10H15NO2%2Fc12-8-6-11%287-9-13%2910-4-2-1-3-5-10%2Fh1-5%2C12-13H%2C6-9H2,7.0,0.095600001513958,28.0,5.0,2.23000001907349,13.0,57.1595001220703,0.14300000667572,0.00913935992866755,7.0
InChI%3D1S%2FC8H12O%2Fc1-2-8%289%296-4-3-5-7-8%2Fh1%2C9H%2C3-7H2,2.0,-0.333099991083145,21.0,0.0,2.23000001907349,9.0,30.2702007293701,1.35000002384186,0.110955610871315,2.0
InChI%3D1S%2FC11H16N2%2Fc1-2-4-11%285-3-1%2910-13-8-6-12-7-9-13%2Fh1-5%2C12H%2C6-10H2,0.0,0.85860002040863,29.0,2.0,2.45000004768372,14.0,59.494701385498,0.559000015258789,0.737193942070007,6.0
InChI%3D1S%2FC6H4N2O5%2Fc9-6-4%287%2810%2911%292-1-3-5%286%298%2812%2913%2Fh1-3%2C9H,2.0,1.02699995040894,17.0,2.0,1.35000002384186,13.0,45.1990013122559,0.903999984264374,1.05472898483276,13.0
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InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh2-3H%2C1H2,4.0,0.408399999141693,8.0,1.0,1.67999994754791,3.0,16.3659992218018,0.293000012636185,0.166790559887886,4.0
InChI%3D1S%2FC6H5NO3%2Fc8-6-3-1-5%282-4-6%297%289%2910%2Fh1-4%2C8H,2.0,-0.506900012493134,15.0,1.0,1.67999994754791,10.0,5.45039987564087,1.72000002861023,0.256947606801987,10.0
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InChI%3D1S%2F2C9H13N.H2O4S%2Fc2%2A1-8%2810%297-9-5-3-2-4-6-9%3B1-5%282%2C3%294%2Fh2%2A2-6%2C8H%2C7%2C10H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29,5.0,-2.03099989891052,53.0,4.0,2.67000007629395,24.0,49.9654006958008,5.40000009536743,4.12496089935303,6.0
InChI%3D1S%2FC7H12O%2Fc1-3-5-6-7%288%294-2%2Fh2%2C7-8H%2C3%2C5-6H2%2C1H3,8.0,-0.558499991893768,20.0,3.0,2.11999988555908,7.0,28.360200881958,1.79100000858307,0.311922252178192,2.0
InChI%3D1S%2FC6H7N%2Fc1-6-4-2-3-5-7-6%2Fh2-5H%2C1H3,0.0,-0.342900007963181,14.0,0.0,2.00999999046326,7.0,31.8628005981445,0.140000000596046,0.117580406367779,6.0
InChI%3D1S%2FC6H10O%2Fc1-3-5-6%287%294-2%2Fh3-4%2C6-7H%2C1-2%2C5H2,7.0,1.15989995002747,17.0,3.0,2.00999999046326,6.0,30.7087001800537,1.20299994945526,1.34536802768707,2.0
InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3%2Ft8-%2C9%2B%2C10-%2Fm1%2Fs1,3.0,0.656300008296967,31.0,1.0,2.45000004768372,11.0,44.9238014221191,3.21099996566772,0.430729687213898,0.0
InChI%3D1S%2FC13H11NO2%2Fc15-12-9-5-4-8-11%2812%2913%2816%2914-10-6-2-1-3-7-10%2Fh1-9%2C15H%2C%28H%2C14%2C16%29,3.0,1.519700050354,27.0,2.0,2.55999994277954,17.0,70.1010971069336,1.89600002765656,2.30948805809021,16.0
InChI%3D1S%2FC12H9NO%2Fc14-12%2810-4-2-1-3-5-10%2911-6-8-13-9-7-11%2Fh1-9H,2.0,0.467000007629395,23.0,2.0,2.55999994277954,15.0,61.2478981018066,0.776000022888184,0.218088999390602,14.0
InChI%3D1S%2FC7H7NO2%2Fc1-6-3-2-4-7%285-6%298%289%2910%2Fh2-5H%2C1H3,2.0,0.595399975776672,17.0,1.0,1.89999997615814,10.0,8.38790035247803,3.21700000762939,0.354501157999039,9.0
InChI%3D1S%2FC4H5N%2Fc1-2-4-5-3-1%2Fh1-5H,0.0,-0.973200023174286,14.0,0.0,1.78999996185303,5.0,18.5475997924805,0.330000013113022,0.94711822271347,0.0
InChI%3D1S%2FC7H5ClN2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-3H%2C10H2,2.0,0.414499998092651,15.0,0.0,1.89999997615814,10.0,44.2002983093262,0.541999995708466,0.171810254454613,9.0
InChI%3D1S%2FC6H12O2%2Fc1-5%287%298-6%282%2C3%294%2Fh1-4H3,8.0,0.952400028705597,20.0,2.0,1.89999997615814,7.0,31.2166004180908,1.54100000858307,0.907065749168396,3.0
InChI%3D1S%2FC12H8O%2Fc1-3-7-11-9%285-1%2910-6-2-4-8-12%2810%2913-11%2Fh1-8H,0.0,1.36790001392365,21.0,0.0,2.67000007629395,15.0,59.7458992004395,1.91700005531311,1.87115037441254,13.0
InChI%3D1S%2FC13H20O%2Fc1-10-6-5-9-13%283%2C4%2912%2810%298-7-11%282%2914%2Fh7-8H%2C5-6%2C9H2%2C1-4H3,5.0,1.57679998874664,34.0,2.0,2.77999997138977,14.0,60.6614990234375,3.65000009536743,2.48629832267761,6.0
InChI%3D1S%2FC18H15O4P%2Fc19-23%2820-16-10-4-1-5-11-16%2C21-17-12-6-2-7-13-17%2922-18-14-8-3-9-15-18%2Fh1-15H,5.0,2.77110004425049,38.0,6.0,2.89000010490417,25.0,101.859199523926,3.05100011825562,7.67899513244629,23.0
InChI%3D1S%2FC11H15NO%2Fc1-11%282%2C3%299-6-4-8%285-7-9%2910%2812%2913%2Fh4-7H%2C1-3H3%2C%28H2%2C12%2C13%29,4.0,1.93359994888306,28.0,2.0,2.45000004768372,13.0,55.0839004516602,2.02600002288818,3.73880887031555,9.0
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InChI%3D1S%2FC9H12O2%2Fc1-7-8%2810-2%295-4-6-9%287%2911-3%2Fh4-6H%2C1-3H3,2.0,0.85259997844696,23.0,2.0,2.23000001907349,11.0,48.5247993469238,1.47699999809265,0.726926743984222,8.0
InChI%3D1S%2FC14H20O3%2Fc1-3-4-5-6-9-17-13-8-7-12%2811-15%2910-14%2813%2916-2%2Fh7-8%2C10-11H%2C3-6%2C9H2%2C1-2H3,7.0,-1.17320001125336,37.0,8.0,2.67000007629395,17.0,65.877197265625,3.39800000190735,1.37639820575714,10.0
InChI%3D1S%2FC2H3Cl3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2,6.0,1.23950004577637,9.0,1.0,1.24000000953674,5.0,28.215799331665,1.33700001239777,1.53636026382446,0.0
InChI%3D1S%2FN3.Na%2Fc1-3-2%3B%2Fq-1%3B%2B1,3.0,,6.0,0.0,1.01999998092651,2.0,,-1.67900002002716,,3.0
InChI%3D1S%2FC7H6N2O5%2Fc1-4-2-5%288%2811%2912%293-6%287%284%2910%299%2813%2914%2Fh2-3%2C10H%2C1H3,2.0,0.0885000005364418,20.0,2.0,1.46000003814697,14.0,13.8382997512817,2.57699990272522,0.0078322496265173,13.0
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InChI%3D1S%2FC8H19N%2Fc1-2-3-4-5-6-7-8-9%2Fh2-9H2%2C1H3,9.0,-2.41499996185303,28.0,6.0,2.23000001907349,8.0,32.3026008605957,3.05999994277954,5.83222484588623,0.0
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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%29,4.0,0.321799993515015,20.0,1.0,2.00999999046326,11.0,45.7897987365723,0.61599999666214,0.103555239737034,10.0
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InChI%3D1S%2FC9H13N%2Fc1-2-10-8-9-6-4-3-5-7-9%2Fh3-7%2C10H%2C2%2C8H2%2C1H3,4.0,1.15170001983643,23.0,3.0,2.33999991416931,10.0,47.7383995056152,1.33899998664856,1.32641291618347,6.0
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InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh5H%2C4H2%2C1H3,5.0,0.783699989318848,11.0,0.0,1.78999996185303,4.0,21.3423004150391,0.368000000715256,0.614185690879822,2.0
InChI%3D1S%2FC12H11NO2%2Fc1-13-12%2814%2915-11-8-4-6-9-5-2-3-7-10%289%2911%2Fh2-8H%2C1H3%2C%28H%2C13%2C14%29,5.0,1.73619997501373,26.0,2.0,2.45000004768372,16.0,63.7247009277344,2.29200005531311,3.01439046859741,14.0
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InChI%3D1S%2FC10H11BrO3%2Fc1-13-7-3-4-10%2814-2%298%285-7%299%2812%296-11%2Fh3-5H%2C6H2%2C1-2H3,4.0,0.633800029754639,25.0,4.0,2.11999988555908,14.0,61.5298004150391,1.66600000858307,0.401702433824539,10.0
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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%2C1-3H3,9.0,1.59669995307922,35.0,7.0,1.89999997615814,18.0,83.4536972045898,1.81099998950958,2.54945087432861,13.0
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InChI%3D1S%2FC5H10O%2Fc1-3-4-5%282%296%2Fh3-4H2%2C1-2H3,6.0,-0.455799996852875,16.0,2.0,1.89999997615814,5.0,24.1298999786377,1.00699996948242,0.207753643393517,1.0
InChI%3D1S%2FC9H11NO%2Fc1-10%282%299-5-3-8%287-11%294-6-9%2Fh3-7H%2C1-2H3,3.0,0.786400020122528,22.0,2.0,2.23000001907349,11.0,49.6487007141113,0.96399998664856,0.618424952030182,9.0
InChI%3D1S%2FC3H2F6O%2Fc4-2%285%2C6%291%2810%293%287%2C8%299%2Fh1%2C10H,10.0,1.68550002574921,12.0,2.0,1.01999998092651,9.0,18.8316993713379,2.38800001144409,2.84091019630432,0.0
InChI%3D1S%2FC8H6Br4%2Fc9-7%2810%295-3-1-2-4-6%285%298%2811%2912%2Fh1-4%2C7-8H,2.0,4.25740003585815,18.0,2.0,1.89999997615814,12.0,70.5457992553711,4.25400018692017,18.1254539489746,6.0
InChI%3D1S%2FC10H10O2%2Fc1-8%2811%297-10%2812%299-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3,6.0,0.724900007247925,22.0,3.0,2.33999991416931,12.0,50.4012985229492,1.28999996185303,0.525480031967163,8.0
InChI%3D1S%2FC6H6ClN%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C8H2,0.0,0.575399994850159,14.0,0.0,1.89999997615814,8.0,39.2218017578125,0.901000022888184,0.33108514547348,7.0
InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%2811%295%289%296%2810%294%282%298%2Fh1%2C11H,0.0,2.3150999546051,13.0,0.0,1.57000005245209,11.0,51.4261016845703,3.04299998283386,5.35968780517578,7.0
InChI%3D1S%2FC6H12N2%2Fc1-2-8-5-3-7%281%294-6-8%2Fh1-6H2,0.0,0.096000000834465,20.0,0.0,1.89999997615814,9.0,34.0691986083984,-0.504000008106232,0.0092160003259778,0.0
InChI%3D1S%2FC6HCl3N2O4%2Fc7-2-1-3%288%296%2811%2814%2915%294%289%295%282%2910%2812%2913%2Fh1H,3.0,2.13969993591309,16.0,2.0,1.12999999523163,15.0,22.6184005737305,2.85800004005432,4.57831621170044,12.0
InChI%3D1S%2FC14H14OS%2Fc15-16%2811-13-7-3-1-4-8-13%2912-14-9-5-2-6-10-14%2Fh1-10H%2C11-12H2,4.0,1.91760003566742,30.0,4.0,2.77999997138977,17.0,78.0609970092773,0.935999989509583,3.67718982696533,6.0
InChI%3D1S%2FC8H6Cl2O2%2Fc1-12-8%2811%296-4-5%289%292-3-7%286%2910%2Fh2-4H%2C1H3,4.0,1.95640003681183,18.0,2.0,1.89999997615814,12.0,51.1565017700195,1.82400000095367,3.82750105857849,9.0
InChI%3D1S%2FC14H20ClNO2%2Fc1-4-11-7-6-8-12%285-2%2914%2811%2916%2810-18-3%2913%2817%299-15%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3,8.0,1.04059994220734,38.0,7.0,2.55999994277954,18.0,77.7130966186523,2.22199988365173,1.08284831047058,9.0
InChI%3D1S%2FC9H14N.CH4O4S%2Fc1-10%282%2C3%299-7-5-4-6-8-9%3B1-5-6%282%2C3%294%2Fh4-8H%2C1-3H3%3B1H3%2C%28H%2C2%2C3%2C4%29%2Fq%2B1%3B%2Fp-1,6.0,-2.22160005569458,33.0,2.0,1.89999997615814,15.0,32.7785987854004,0.619000017642975,4.93550634384155,7.0
InChI%3D1S%2FC6H3I3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,0.0,1.6878000497818,13.0,0.0,1.67999994754791,10.0,69.5197982788086,3.80399990081787,2.84866881370544,7.0
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,4.0,1.51180005073547,8.0,1.0,1.46000003814697,3.0,20.6555995941162,1.74000000953674,2.28553915023804,0.0
InChI%3D1S%2FC9H10O2%2Fc1-2-11-9-5-3-8%287-10%294-6-9%2Fh3-7H%2C2H2%2C1H3,3.0,0.767199993133545,21.0,3.0,2.23000001907349,11.0,46.9668998718262,1.09300005435944,0.588595867156982,9.0
InChI%3D1S%2FC12H10OS%2Fc13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,2.0,1.39199995994568,24.0,2.0,2.55999994277954,15.0,69.7322006225586,0.108000002801418,1.93766403198242,14.0
InChI%3D1S%2FC5H12O%2Fc1-2-3-4-5-6%2Fh6H%2C2-5H2%2C1H3,6.0,-1.26139998435974,18.0,3.0,1.89999997615814,5.0,21.9102993011475,1.41999995708466,1.59113001823425,0.0
InChI%3D1S%2FC6H6FN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,0.0,0.116499997675419,14.0,0.0,1.89999997615814,8.0,34.6333999633789,0.439999997615814,0.0135722495615482,7.0
InChI%3D1S%2FC5H8O3%2Fc1-2-5%287%298-4-3-6%2Fh2%2C6H%2C1%2C3-4H2,8.0,0.0725999996066093,16.0,4.0,1.67999994754791,7.0,28.3528003692627,-0.175999999046326,0.00527076004073024,5.0
InChI%3D1S%2FC6H2F5N%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H2,0.0,-0.244299992918968,14.0,0.0,1.46000003814697,12.0,35.1445999145508,0.903999984264374,0.0596824884414673,7.0
InChI%3D1S%2FC12H18N2O3.Na%2Fc1-4-6-8%283%2912%287-5-2%299%2815%2913-11%2817%2914-10%2812%2916%3B%2Fh5%2C8H%2C2%2C4%2C6-7H2%2C1%2C3H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29%3B%2Fq%3B%2B1%2Fp-1,5.0,,35.0,5.0,2.11999988555908,17.0,,3.2720000743866,,8.0
InChI%3D1S%2FC13H10Cl2O2%2Fc14-10-1-3-12%2816%298%286-10%295-9-7-11%2815%292-4-13%289%2917%2Fh1-4%2C6-7%2C16-17H%2C5H2,0.0,2.48300004005432,27.0,2.0,2.45000004768372,18.0,76.7157974243164,2.26699995994568,6.1652889251709,7.0
InChI%3D1S%2FC9H18O%2Fc1-3-5-7-9%2810%298-6-4-2%2Fh3-8H2%2C1-2H3,10.0,-1.24360001087189,28.0,6.0,2.33999991416931,9.0,37.8881988525391,2.96700000762939,1.54654097557068,1.0
InChI%3D1S%2FC7H11ClO4%2Fc1-3-11-6%289%295%288%297%2810%2912-4-2%2Fh5H%2C3-4H2%2C1-2H3,12.0,1.11039996147156,23.0,6.0,1.67999994754791,11.0,41.502799987793,1.38699996471405,1.23298811912537,3.0
InChI%3D1S%2F2C4H7Cl3O.H2O%2Fc2%2A1-3%282%2C8%294%285%2C6%297%3B%2Fh2%2A8H%2C1-2H3%3B1H2,8.0,3.64400005340576,33.0,2.0,1.35000002384186,14.0,74.5431976318359,3.96099996566772,13.278736114502,0.0
InChI%3D1S%2FC12H8ClNO3%2Fc13-9-5-7-10%288-6-9%2917-12-4-2-1-3-11%2812%2914%2815%2916%2Fh1-8H,3.0,0.543600022792816,25.0,3.0,2.23000001907349,18.0,10.1204996109009,4.66699981689453,0.295500963926315,16.0
InChI%3D1S%2FC6H12O%2Fc1-3-5-6%287%294-2%2Fh4%2C6-7H%2C2-3%2C5H2%2C1H3,7.0,-0.327899992465973,19.0,3.0,2.00999999046326,6.0,27.831600189209,1.56900000572205,0.107518412172794,2.0
InChI%3D1S%2FC5Cl5N%2Fc6-1-2%287%294%289%2911-5%2810%293%281%298,0.0,3.05690002441406,11.0,0.0,1.35000002384186,11.0,51.2977981567383,3.21300005912781,9.34463787078857,6.0
InChI%3D1S%2FC12H27N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-13H2%2C1H3,13.0,-3.56699991226196,40.0,10.0,2.67000007629395,12.0,43.9490013122559,5.33599996566772,12.7234888076782,0.0
InChI%3D1S%2FC7H6Cl2O2%2Fc1-11-7-3-5%289%294%288%292-6%287%2910%2Fh2-3%2C10H%2C1H3,2.0,1.07910001277924,17.0,1.0,1.78999996185303,11.0,48.6371994018555,2.12899994850159,1.16445684432983,8.0
InChI%3D1S%2FC8H14O3%2Fc1-4-10-5-6-11-8%289%297%282%293%2Fh2%2C4-6H2%2C1%2C3H3,11.0,1.28460001945496,25.0,6.0,2.00999999046326,10.0,41.7549018859863,0.947000026702881,1.65019714832306,5.0
InChI%3D1S%2FC10H15BrO%2Fc1-9%282%296-4-5-10%289%2C3%298%2812%297%286%2911%2Fh6-7H%2C4-5H2%2C1-3H3,0.0,1.66620004177094,27.0,0.0,2.33999991416931,13.0,51.1352005004883,2.53099989891052,2.77622246742249,1.0
InChI%3D1S%2FC6H11BrO%2Fc7-5-6-3-1-2-4-8-6%2Fh6H%2C1-5H2,1.0,-0.156499996781349,19.0,1.0,1.89999997615814,8.0,31.7752990722656,2.0239999294281,0.0244922507554293,0.0
InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3,4.0,-0.377700001001358,12.0,0.0,1.46000003814697,3.0,19.5755004882812,-1.38499999046326,0.142657294869423,2.0
InChI%3D1S%2FC10H10O%2Fc1-3-10%282%2C11%299-7-5-4-6-8-9%2Fh1%2C4-8%2C11H%2C2H3,5.0,1.66700005531311,21.0,1.0,2.45000004768372,11.0,48.0999984741211,1.24000000953674,2.77888894081116,6.0
InChI%3D1S%2FC12H22O4%2Fc1-3-5-9-15-11%2813%297-8-12%2814%2916-10-6-4-2%2Fh3-10H2%2C1-2H3,16.0,-1.13880002498627,38.0,11.0,2.33999991416931,15.0,54.5499992370605,2.63199996948242,1.29686546325684,3.0
InChI%3D1S%2FC13H10O2%2Fc14-10-11-6-8-13%289-7-11%2915-12-4-2-1-3-5-12%2Fh1-10H,2.0,1.37109994888306,25.0,3.0,2.67000007629395,16.0,67.2599029541016,1.56599998474121,1.87991523742676,15.0
InChI%3D1S%2FC9H18O2%2Fc1-2-3-4-5-6-7-8-9%2810%2911%2Fh2-8H2%2C1H3%2C%28H%2C10%2C11%29,11.0,-1.88170003890991,29.0,7.0,2.23000001907349,10.0,35.1367988586426,3.58699989318848,3.54079484939575,3.0
InChI%3D1S%2FC5H12N2%2Fc1-5-4-6-2-3-7-5%2Fh5-7H%2C2-4H2%2C1H3,0.0,-0.80510002374649,19.0,0.0,1.78999996185303,7.0,30.0331993103027,-0.312000006437302,0.648186028003693,0.0
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3,2.0,0.341699987649918,17.0,1.0,2.00999999046326,9.0,39.2047996520996,0.975000023841858,0.116758890450001,8.0
InChI%3D1S%2FC13H11NO%2Fc15-11-14%2812-7-3-1-4-8-12%2913-9-5-2-6-10-13%2Fh1-11H,3.0,1.20949995517731,26.0,3.0,2.67000007629395,16.0,69.3609008789062,1.40799999237061,1.46289026737213,15.0
InChI%3D1S%2FC6H13NO2%2Fc8-4-1-7-2-5-9-6-3-7%2Fh8H%2C1-6H2,3.0,-0.531599998474121,22.0,2.0,1.78999996185303,9.0,35.3549003601074,-1.0460000038147,0.282598555088043,0.0
InChI%3D1S%2FC4H11N%2Fc1-3-5-4-2%2Fh5H%2C3-4H2%2C1-2H3,5.0,0.284999996423721,16.0,2.0,1.78999996185303,4.0,23.2810001373291,0.670000016689301,0.0812250003218651,0.0
InChI%3D1S%2FC3H7ClO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2H2%2C1H3,5.0,0.296499997377396,12.0,1.0,1.57000005245209,4.0,22.1889991760254,0.726000010967255,0.0879122465848923,0.0
InChI%3D1S%2FC11H13NO%2Fc1-12%282%2911-7-5-10%286-8-11%294-3-9-13%2Fh3-9H%2C1-2H3%2Fb4-3-,4.0,1.14750003814697,26.0,3.0,2.45000004768372,13.0,59.8922004699707,1.44700002670288,1.31675624847412,11.0
InChI%3D1S%2FC9H17N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-8H2%2C1H3,10.0,-1.60720002651215,27.0,6.0,2.33999991416931,9.0,34.1161003112793,3.69799995422363,2.58309173583984,1.0
InChI%3D1S%2FC6H10Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh5-6H%2C1-4H2%2Ft5-%2C6%3F%2Fm1%2Fs1,0.0,0.235799998044968,18.0,0.0,1.89999997615814,8.0,29.6734008789062,2.71000003814697,0.055601641535759,0.0
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,4.0,0.321799993515015,20.0,1.0,2.00999999046326,11.0,45.7897987365723,0.61599999666214,0.103555239737034,10.0
InChI%3D1S%2FC5H10Cl2%2Fc6-4-2-1-3-5-7%2Fh1-5H2,7.0,0.647800028324127,17.0,4.0,1.78999996185303,6.0,29.3903999328613,2.81399989128113,0.419644832611084,0.0
InChI%3D1S%2FC4H6Cl2%2Fc1-2-4%286%293-5%2Fh2%2C4H%2C1%2C3H2,6.0,2.15729999542236,12.0,2.0,1.67999994754791,5.0,29.4885005950928,2.02500009536743,4.65394306182861,2.0
InChI%3D1S%2FC5H4ClNO%2Fc6-4-1-2-5%288%297-3-4%2Fh1-3H%2C%28H%2C7%2C8%29,0.0,0.0399000011384487,12.0,0.0,1.67999994754791,8.0,33.0279006958008,0.455000013113022,0.00159201002679765,7.0
InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh1%2C5H%2C3-4H2,5.0,0.571799993515015,11.0,1.0,1.78999996185303,4.0,19.4927997589111,-0.0729999989271164,0.326955229043961,2.0
InChI%3D1S%2FC6H6ClN%2Fc1-5-3-2-4-6%287%298-5%2Fh2-4H%2C1H3,0.0,1.22809994220734,14.0,0.0,1.89999997615814,8.0,36.7667007446289,1.08599996566772,1.50822961330414,6.0
InChI%3D1S%2FC9H7N%2Fc1-2-6-9-8%284-1%295-3-7-10-9%2Fh1-7H,0.0,1.08790004253387,17.0,0.0,2.33999991416931,11.0,46.8578987121582,0.874000012874603,1.1835263967514,10.0
InChI%3D1S%2FC10H14O%2Fc1-10%282%2C3%298-4-6-9%2811%297-5-8%2Fh4-7%2C11H%2C1-3H3,4.0,2.20090007781982,25.0,1.0,2.45000004768372,11.0,50.4679985046387,2.71799993515015,4.84396076202393,7.0
InChI%3D1S%2FC6H12O3%2Fc1-3-8-4-5-9-6%282%297%2Fh3-5H2%2C1-2H3,9.0,0.140599995851517,21.0,5.0,1.78999996185303,8.0,32.7500991821289,0.474000006914139,0.0197683591395617,3.0
InChI%3D1S%2FC7H8N2O%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H2%2C9%2C10%29,3.0,-0.0705000013113022,18.0,1.0,1.89999997615814,10.0,41.7619018554688,0.902999997138977,0.00497025018557906,10.0
InChI%3D1S%2FC11H17O3P%2Fc1-3-13-15%2812%2C14-4-2%2910-11-8-6-5-7-9-11%2Fh5-9H%2C3-4%2C10H2%2C1-2H3,9.0,1.49360001087189,32.0,6.0,2.23000001907349,15.0,63.6052017211914,1.45899999141693,2.23084092140198,6.0
InChI%3D1S%2FC6H14O%2Fc1-5%282%297-6%283%294%2Fh5-6H%2C1-4H3,7.0,-0.0496999993920326,21.0,2.0,2.00999999046326,6.0,32.0097007751465,1.78600001335144,0.00247009005397558,0.0
InChI%3D1S%2FC7H7NO2.ClH%2Fc9-7%2810%296-8-4-2-1-3-5-8%3B%2Fh1-5H%2C6H2%3B1H,4.0,-2.56329989433289,20.0,2.0,1.78999996185303,10.0,9.5034999847412,0.781000018119812,6.57050704956055,3.0
InChI%3D1S%2FC3H6Cl2%2Fc4-2-1-3-5%2Fh1-3H2,5.0,1.22379994392395,11.0,2.0,1.57000005245209,4.0,23.5671997070312,2.09800004959106,1.4976863861084,0.0
InChI%3D1S%2FC6H5NO3%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4%2C8H,2.0,-0.506900012493134,15.0,1.0,1.67999994754791,10.0,5.45039987564087,2.57800006866455,0.256947606801987,10.0
InChI%3D1S%2FC7H14O%2Fc1-3-4-5-6-7%282%298%2Fh3-6H2%2C1-2H3,8.0,-1.03180003166199,22.0,4.0,2.11999988555908,7.0,29.9531002044678,2.14499998092651,1.06461119651794,1.0
InChI%3D1S%2FC6H4Cl2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H,0.0,2.14079999923706,12.0,0.0,1.89999997615814,8.0,40.3881988525391,1.97000002861023,4.58302450180054,6.0
InChI%3D1S%2FC4H10O%2Fc1-2-3-4-5%2Fh5H%2C2-4H2%2C1H3,5.0,-0.973399996757507,15.0,2.0,1.78999996185303,4.0,18.9986991882324,0.851000010967255,0.947507560253143,0.0
InChI%3D1S%2FC7H6O3%2Fc8-4-5-1-2-6%289%293-7%285%2910%2Fh1-4%2C9-10H,2.0,-0.110799998044968,16.0,1.0,1.89999997615814,10.0,39.2406005859375,0.697000026702881,0.0122766401618719,10.0
InChI%3D1S%2FC5H10O%2Fc1-3-5%286%294-2%2Fh3-4H2%2C1-2H3,6.0,-0.0916000008583069,16.0,2.0,1.89999997615814,5.0,26.2418003082275,0.690999984741211,0.00839055981487036,1.0
InChI%3D1S%2FC9H16ClNO2%2Fc10-6-7-13-9%2812%2911-8-4-2-1-3-5-8%2Fh8H%2C1-7H2%2C%28H%2C11%2C12%29,7.0,-0.365799993276596,29.0,4.0,2.00999999046326,13.0,42.7302017211914,2.95799994468689,0.133809641003609,4.0
InChI%3D1S%2FC7H5FO%2Fc8-7-4-2-1-3-6%287%295-9%2Fh1-5H,2.0,0.92519998550415,14.0,1.0,2.00999999046326,9.0,36.157398223877,0.757000029087067,0.855995059013367,8.0
InChI%3D1S%2FC16H27N%2Fc1-2-3-4-5-6-7-8-9-10-15-11-13-16%2817%2914-12-15%2Fh11-14H%2C2-10%2C17H2%2C1H3,10.0,-2.17919993400574,44.0,9.0,3.10999989509583,17.0,67.342399597168,5.94299983978271,4.7489128112793,7.0
InChI%3D1S%2FC7H12O2%2Fc1-5%282%297%288%299-6%283%294%2Fh6H%2C1H2%2C2-4H3,9.0,1.11500000953674,21.0,3.0,2.00999999046326,8.0,35.9161987304688,1.59700000286102,1.24322497844696,5.0
InChI%3D1S%2FC8H10%2Fc1-7-5-3-4-6-8%287%292%2Fh3-6H%2C1-2H3,0.0,2.29620003700256,18.0,0.0,2.33999991416931,8.0,39.5197982788086,2.8659999370575,5.27253437042236,6.0
InChI%3D1S%2FC9H11N%2Fc1-2-8-10-9-6-4-3-5-7-9%2Fh2-7%2C10H%2C1%2C8H2,4.0,1.25530004501343,21.0,3.0,2.33999991416931,10.0,48.4429016113281,1.61300003528595,1.57577812671661,7.0
InChI%3D1S%2FC11H15NO3%2Fc1-8%282%2914-9-6-4-5-7-10%289%2915-11%2813%2912-3%2Fh4-8H%2C1-3H3%2C%28H%2C12%2C13%29,5.0,0.643100023269653,30.0,4.0,2.23000001907349,15.0,61.6697998046875,2.27300000190735,0.413577616214752,11.0
InChI%3D1S%2FC9H18O%2Fc1-3-4-5-6-7-8-9%282%2910%2Fh3-8H2%2C1-2H3,10.0,-1.60780000686646,28.0,6.0,2.33999991416931,9.0,35.7762985229492,3.28299999237061,2.58502078056335,1.0
InChI%3D1S%2FC7H8FN%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C9H%2C1H3,2.0,0.54830002784729,17.0,1.0,2.00999999046326,9.0,39.4080009460449,0.902999997138977,0.300632894039154,7.0
InChI%3D1S%2FC8H18O%2Fc1-2-3-4-5-6-7-8-9%2Fh9H%2C2-8H2%2C1H3,9.0,-2.12540006637573,27.0,6.0,2.23000001907349,8.0,30.6450996398926,3.12700009346008,4.51732492446899,0.0
InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-4-2-1-3-6%287%295-12%2Fh1-4H,3.0,2.14499998092651,16.0,1.0,1.89999997615814,12.0,41.1487998962402,1.75899994373322,4.60102510452271,8.0
InChI%3D1S%2FC10H14%2Fc1-3-9-6-5-7-10%284-2%298-9%2Fh5-8H%2C3-4H2%2C1-2H3,2.0,1.62600004673004,24.0,2.0,2.55999994277954,10.0,49.2165985107422,3.79399991035461,2.64387607574463,6.0
InChI%3D1S%2FC6H3Cl3%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H,0.0,2.50950002670288,12.0,0.0,1.78999996185303,9.0,45.1044006347656,2.54699993133545,6.2975902557373,6.0
InChI%3D1S%2FC10H15N%2Fc1-3-11%284-2%2910-8-6-5-7-9-10%2Fh5-9H%2C3-4H2%2C1-2H3,5.0,1.67519998550415,26.0,3.0,2.45000004768372,11.0,53.1624984741211,2.40700006484985,2.80629515647888,7.0
InChI%3D1S%2FC7H9N%2Fc1-8-7-5-3-2-4-6-7%2Fh2-6%2C8H%2C1H3,2.0,0.638499975204468,17.0,1.0,2.11999988555908,8.0,39.280200958252,0.998000025749207,0.407682240009308,7.0
InChI%3D1S%2FC5H8O2%2Fc1-4%286%293-5%282%297%2Fh3H2%2C1-2H3,7.0,-0.47299998998642,15.0,2.0,1.78999996185303,6.0,26.0900001525879,0.231000006198883,0.223728999495506,1.0
InChI%3D1S%2FC6H6N2O2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H%2C7H2,2.0,-0.796500027179718,16.0,1.0,1.67999994754791,10.0,7.10790014266968,1.65299999713898,0.634412229061127,10.0
InChI%3D1S%2FC6H15N%2Fc1-2-3-4-5-6-7%2Fh2-7H2%2C1H3,7.0,-1.83899998664856,22.0,4.0,2.00999999046326,6.0,26.4794006347656,1.92200005054474,3.38192105293274,0.0
InChI%3D1S%2FC20H30O2%2Fc1-5-18%282%2912-9-15-14%2813-18%297-8-16-19%2815%2C3%2910-6-11-20%2816%2C4%2917%2821%2922%2Fh5%2C7%2C15-16H%2C1%2C6%2C8-13H2%2C2-4H3%2C%28H%2C21%2C22%29%2Ft15-%2C16%2B%2C18-%2C19%2B%2C20%2B%2Fm0%2Fs1,2.0,1.96809995174408,52.0,2.0,3.44000005722046,24.0,89.8181991577148,6.31599998474121,3.8734176158905,3.0
InChI%3D1S%2FC6H2Cl4O2%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh11-12H,0.0,1.75199997425079,14.0,0.0,1.46000003814697,12.0,53.0316009521484,3.39100003242493,3.06950402259827,8.0
InChI%3D1S%2FC13H22N.ClH%2Fc1-4-14%285-2%2C6-3%2912-13-10-8-7-9-11-13%3B%2Fh7-11H%2C4-6%2C12H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1,8.0,,37.0,5.0,2.67000007629395,14.0,,4.56099987030029,,6.0
InChI%3D1S%2FC7H10%2Fc1-2-7-4-3-6%281%295-7%2Fh1-2%2C6-7H%2C3-5H2,0.0,0.429199993610382,17.0,0.0,2.23000001907349,8.0,29.6931991577148,2.99699997901917,0.184212639927864,2.0
InChI%3D1S%2FC6H14S%2Fc1-3-5-7-6-4-2%2Fh3-6H2%2C1-2H3,7.0,0.140400007367134,21.0,4.0,2.00999999046326,6.0,34.8385009765625,2.74300003051758,0.0197121594101191,0.0
InChI%3D1S%2FC3H6O2%2Fc1-3%284%295-2%2Fh1-2H3,5.0,0.0210999995470047,11.0,1.0,1.57000005245209,4.0,17.4127998352051,0.24099999666214,0.000445209996541962,3.0
InChI%3D1S%2FC9H12O%2Fc1-6-4-5-7%282%299%2810%298%286%293%2Fh4-5%2C10H%2C1-3H3,0.0,2.17950010299683,22.0,0.0,2.33999991416931,10.0,45.407299041748,1.70000004768372,4.75022029876709,7.0
InChI%3D1S%2FC5H8O%2Fc1-3-4-5%282%296%2Fh1%2C5-6H%2C4H2%2C2H3,6.0,0.367900013923645,14.0,1.0,1.89999997615814,5.0,24.4908008575439,0.386999994516373,0.135350406169891,2.0
InChI%3D1S%2FC5H10O%2Fc1-3-5%282%294-6%2Fh4-5H%2C3H2%2C1-2H3,6.0,-0.134299993515015,16.0,2.0,1.89999997615814,5.0,24.4582996368408,1.44900000095367,0.0180364903062582,1.0
InChI%3D1S%2FC7H6N2O3%2Fc8-7%2810%295-1-3-6%284-2-5%299%2811%2912%2Fh1-4H%2C%28H2%2C8%2C10%29,3.0,-0.681400001049042,18.0,2.0,1.67999994754791,12.0,10.3273000717163,1.19200003147125,0.464305967092514,12.0
InChI%3D1S%2FC8H11N%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6H%2C2%2C9H2%2C1H3,2.0,0.317999988794327,20.0,1.0,2.23000001907349,9.0,43.6360015869141,1.39100003242493,0.101124003529549,7.0
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3%2B,7.0,-0.505599975585938,19.0,3.0,2.00999999046326,6.0,29.3173007965088,1.47300004959106,0.255631357431412,2.0
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%2C1-2H3,11.0,3.98539996147156,34.0,8.0,1.89999997615814,18.0,92.4509963989258,4.23000001907349,15.8834133148193,6.0
InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H,0.0,0.840300023555756,13.0,0.0,2.00999999046326,7.0,32.5612983703613,0.94599997997284,0.706104099750519,7.0
InChI%3D1S%2FC15H26O%2Fc1-6-15%285%2C16%2912-8-11-14%284%2910-7-9-13%282%293%2Fh6%2C9%2C11%2C16H%2C1%2C7-8%2C10%2C12H2%2C2-5H3%2Fb14-11%2B,16.0,3.7014000415802,42.0,7.0,3.0,15.0,73.6714019775391,4.28999996185303,13.7003622055054,2.0
InChI%3D1S%2FC12H11NO3S%2Fc14-17%2815%2C16%2912-7-4-8-13%2810-12%299-11-5-2-1-3-6-11%2Fh1-8%2C10H%2C9H2,4.0,2.97769999504089,33.0,3.0,2.23000001907349,18.0,137.143600463867,3.79500007629395,8.86669731140137,6.0
InChI%3D1S%2FC6H10%2Fc1-5%282%296%283%294%2Fh1%2C3H2%2C2%2C4H3,6.0,2.30780005455017,16.0,1.0,2.11999988555908,5.0,28.8584003448486,2.74000000953674,5.32594060897827,4.0
InChI%3D1S%2FC4H5NO%2Fc1-4-2-6-3-5-4%2Fh2-3H%2C1H3,0.0,-0.556500017642975,15.0,0.0,1.67999994754791,6.0,23.1618003845215,0.0209999997168779,0.30969226360321,0.0
InChI%3D1S%2FC14H23NO4%2Fc1-16-7-5-6-15-10-11-8-12%2817-2%2914%2819-4%2913%289-11%2918-3%2Fh8-9%2C15H%2C5-7%2C10H2%2C1-4H3,7.0,-1.01339995861053,42.0,9.0,2.45000004768372,19.0,77.3302001953125,1.1710000038147,1.02697956562042,9.0
InChI%3D1S%2FC7H5NO3%2Fc9-5-6-1-3-7%284-2-6%298%2810%2911%2Fh1-5H,2.0,-0.238999992609024,16.0,2.0,1.78999996185303,11.0,9.17969989776611,2.33400011062622,0.0571210011839867,11.0
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,2.0,1.51470005512238,18.0,1.0,2.33999991416931,8.0,40.0862007141113,2.93799996376038,2.2943160533905,6.0
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3-,7.0,-0.505599975585938,19.0,3.0,2.00999999046326,6.0,29.3173007965088,1.47300004959106,0.255631357431412,2.0
InChI%3D1S%2FC6H12ClN.ClH%2Fc7-3-6-8-4-1-2-5-8%3B%2Fh1-6H2%3B1H,3.0,0.227899998426437,22.0,2.0,1.78999996185303,8.0,33.1856002807617,1.84599995613098,0.0519384108483791,0.0
InChI%3D1S%2FC3H9NO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2%2C4H2%2C1H3,5.0,-1.19770002365112,14.0,1.0,1.57000005245209,4.0,20.7954998016357,-0.814999997615814,1.43448531627655,0.0
InChI%3D1S%2FC8H14%2Fc1-7%282%295-6-8%283%294%2Fh5-6H%2C1-4H3,8.0,3.11240005493164,22.0,1.0,2.33999991416931,7.0,40.2053985595703,3.12800002098083,9.68703365325928,4.0
InChI%3D1S%2FC6H4Cl2O2%2Fc7-3-1-5%289%296%2810%292-4%283%298%2Fh1-2%2C9-10H,0.0,1.01460003852844,14.0,0.0,1.67999994754791,10.0,43.5992012023926,2.23699998855591,1.02941310405731,8.0
InChI%3D1S%2FC9H13N%2Fc1-3-10-9-6-4-5-8%282%297-9%2Fh4-7%2C10H%2C3H2%2C1-2H3,3.0,1.33529996871948,23.0,2.0,2.33999991416931,10.0,47.8559989929199,1.81299996376038,1.78302609920502,7.0
InChI%3D1S%2FC14H26O4%2Fc1-3-17-13%2815%2911-9-7-5-6-8-10-12-14%2816%2918-4-2%2Fh3-12H2%2C1-2H3,18.0,-1.13520002365112,44.0,13.0,2.55999994277954,17.0,59.1324005126953,3.76999998092651,1.28867900371552,3.0
InChI%3D1S%2FC3H2N2%2Fc4-2-1-3-5%2Fh1H2,5.0,0.10419999808073,7.0,0.0,1.57000005245209,4.0,16.9463996887207,-0.657000005245209,0.0108576398342848,2.0
InChI%3D1S%2FC10H14O%2Fc11-10-8-2-6-1-7%284-8%295-9%2810%293-6%2Fh6-9H%2C1-5H2,0.0,-0.853399991989136,25.0,0.0,2.45000004768372,13.0,42.521800994873,1.84200000762939,0.728291571140289,2.0
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-2-1-3-6%284-5%298%289%2910%2Fh1-4H,3.0,0.697700023651123,14.0,1.0,1.67999994754791,10.0,8.50139999389648,2.77900004386902,0.486785292625427,9.0
InChI%3D1S%2FC6H5ClN2O2%2Fc7-5-3-4%289%2810%2911%291-2-6%285%298%2Fh1-3H%2C8H2,2.0,-0.0522000007331371,16.0,1.0,1.57000005245209,11.0,12.72350025177,1.74899995326996,0.00272484007291496,10.0
InChI%3D1S%2FC2H5NO%2Fc1-2-3-4%2Fh2%2C4H%2C1H3,4.0,-0.140599995851517,9.0,0.0,1.46000003814697,3.0,15.2531995773315,0.577000021934509,0.0197683591395617,3.0
InChI%3D1S%2FC7H5ClO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H,2.0,0.82099997997284,15.0,1.0,1.89999997615814,10.0,42.3512992858887,1.35500001907349,0.674040973186493,9.0
InChI%3D1S%2FC10H23N%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh2-11H2%2C1H3,11.0,-2.9909999370575,34.0,8.0,2.45000004768372,10.0,38.1258010864258,4.19799995422363,8.94608116149902,0.0
InChI%3D1S%2FC8H14O%2Fc1-3-5-6-7-8%289%294-2%2Fh2%2C8-9H%2C3%2C5-7H2%2C1H3,9.0,-0.846499979496002,23.0,4.0,2.23000001907349,8.0,31.2717990875244,2.35999989509583,0.716562271118164,2.0
InChI%3D1S%2FC13H29N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14%2Fh2-14H2%2C1H3,0.0,-0.0993999987840652,21.0,0.0,1.89999997615814,8.0,31.9680995941162,0.940999984741211,0.00988036021590233,0.0
InChI%3D1S%2FC12H9NO3%2Fc14-13%2815%2910-6-8-12%289-7-10%2916-11-4-2-1-3-5-11%2Fh1-9H,3.0,-0.200699999928474,25.0,3.0,2.33999991416931,17.0,4.5048999786377,4.78200006484985,0.0402804911136627,16.0
InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3,7.0,0.222499996423721,17.0,1.0,2.00999999046326,6.0,27.1746006011963,0.763000011444092,0.0495062507688999,2.0
InChI%3D1S%2FC4H11N%2Fc1-2-3-4-5%2Fh2-5H2%2C1H3,5.0,-1.26300001144409,16.0,2.0,1.78999996185303,4.0,20.6562004089355,0.783999979496002,1.59516894817352,0.0
InChI%3D1S%2FC6H4Br2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H,0.0,2.30879998207092,12.0,0.0,1.89999997615814,8.0,46.0242004394531,2.32200002670288,5.33055734634399,6.0
InChI%3D1S%2FCHI3%2Fc2-1%283%294%2Fh1H,3.0,0.718400001525879,5.0,0.0,1.24000000953674,3.0,45.6068992614746,3.68799996376038,0.51609855890274,0.0
InChI%3D1S%2FC2H3Cl2NO%2Fc3-1%284%292%285%296%2Fh1H%2C%28H2%2C5%2C6%29,6.0,1.12339997291565,9.0,1.0,1.24000000953674,5.0,23.8766002655029,0.976999998092651,1.26202750205994,3.0
InChI%3D1S%2FC6H13NO%2Fc1-5-3-7-4-6%282%298-5%2Fh5-7H%2C3-4H2%2C1-2H3,0.0,-0.549499988555908,21.0,0.0,1.89999997615814,8.0,32.9366989135742,0.34400001168251,0.301950246095657,0.0
InChI%3D1S%2FC8H19N%2Fc1-7%282%2C3%296-8%284%2C5%299%2Fh6%2C9H2%2C1-5H3,9.0,1.72160005569458,28.0,2.0,2.23000001907349,8.0,41.8714981079102,2.77500009536743,2.96390652656555,0.0
InChI%3D1S%2FC8H8O3%2Fc1-11-8-4-6%285-9%292-3-7%288%2910%2Fh2-5%2C10H%2C1H3,2.0,-0.0463000014424324,19.0,2.0,2.00999999046326,11.0,44.2785987854004,0.58899998664856,0.00214368989691138,10.0
InChI%3D1S%2FC8H8ClNO%2Fc1-6-7%289%293-2-4-8%286%2910-5-11%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%29,3.0,1.62119996547699,19.0,1.0,2.00999999046326,11.0,49.1105003356934,1.21899998188019,2.62828946113586,9.0
InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3,0.0,2.74259996414185,21.0,0.0,2.45000004768372,9.0,43.8017997741699,3.25799989700317,7.52185487747192,6.0
InChI%3D1S%2FC7H12O2%2Fc1-4-7%288%299-5-6%282%293%2Fh4%2C6H%2C1%2C5H2%2C2-3H3,9.0,1.09420001506805,21.0,4.0,2.00999999046326,8.0,35.3437995910645,1.61099994182587,1.1972736120224,5.0
InChI%3D1S%2FC8H16O2%2Fc1-3-4-5-6-7-10-8%282%299%2Fh3-7H2%2C1-2H3,10.0,-1.17030000686646,26.0,6.0,2.11999988555908,9.0,33.9734001159668,2.72900009155273,1.36960208415985,3.0
InChI%3D1S%2FC6H4N2O4%2Fc9-7%2810%295-1-2-6%284-3-5%298%2811%2912%2Fh1-4H,3.0,-0.0931999981403351,16.0,2.0,1.46000003814697,12.0,5.77159976959229,2.5699999332428,0.00868623983114958,12.0
InChI%3D1S%2FC3H6Br2%2Fc4-2-1-3-5%2Fh1-3H2,5.0,1.51279997825623,11.0,2.0,1.57000005245209,4.0,29.534200668335,2.7739999294281,2.28856372833252,0.0
InChI%3D1S%2FC7H7NO%2Fc1-6%289%297-2-4-8-5-3-7%2Fh2-5H%2C1H3,3.0,-0.73089998960495,16.0,1.0,2.00999999046326,9.0,36.9365997314453,-0.24600000679493,0.534214794635773,8.0
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,0.0,-0.483700007200241,11.0,0.0,1.78999996185303,5.0,18.8031997680664,0.757000029087067,0.233965694904327,3.0
InChI%3D1S%2FC16H22O4%2Fc1-3-5-11-19-15%2817%2913-7-9-14%2810-8-13%2916%2818%2920-12-6-4-2%2Fh7-10H%2C3-6%2C11-12H2%2C1-2H3,7.0,-0.196199998259544,42.0,10.0,2.77999997138977,20.0,73.9672012329102,3.22399997711182,0.0384944416582584,12.0
InChI%3D1S%2FC9H7NO2%2Fc1-12-9%2811%298-4-2-7%286-10%293-5-8%2Fh2-5H%2C1H3,4.0,1.05809998512268,19.0,2.0,2.11999988555908,12.0,46.7025985717773,0.310999989509583,1.11957561969757,11.0
InChI%3D1S%2FC9H15NO6%2Fc1-4-14-7%2811%2910%288%2812%2915-5-2%299%2813%2916-6-3%2Fh4-6H2%2C1-3H3,16.0,1.8286999464035,31.0,9.0,1.67999994754791,15.0,51.3498992919922,1.37399995326996,3.3441436290741,10.0
InChI%3D1S%2FC7H5F4N%2Fc8-4-1-2-6%2812%295%283-4%297%289%2C10%2911%2Fh1-3H%2C12H2,3.0,1.01900005340576,17.0,1.0,1.67999994754791,12.0,39.847900390625,1.32000005245209,1.03836095333099,7.0
InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-1-2-5%287%2810%2911%296%289%293-4%2Fh1-3H%2C%28H2%2C10%2C11%29,3.0,1.86360001564026,16.0,1.0,1.78999996185303,11.0,47.6445007324219,1.90900003910065,3.47300505638123,9.0
InChI%3D1S%2FC3H9N%2Fc1-2-3-4%2Fh2-4H2%2C1H3,4.0,-0.975000023841858,13.0,1.0,1.67999994754791,3.0,17.7446002960205,0.215000003576279,0.950625002384186,0.0
InChI%3D1S%2FC7H7ClO%2Fc1-5-4-6%289%292-3-7%285%298%2Fh2-4%2C9H%2C1H3,0.0,1.6554000377655,16.0,0.0,2.00999999046326,9.0,41.5595016479492,1.49300003051758,2.74034905433655,7.0
InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2,2.0,-1.25680005550385,17.0,1.0,1.57000005245209,11.0,9.67249965667725,1.54799997806549,1.57954621315002,11.0
InChI%3D1S%2FC2H7NO%2Fc3-1-2-4%2Fh4H%2C1-3H2,4.0,-1.18700003623962,11.0,1.0,1.46000003814697,3.0,16.2110996246338,-1.27499997615814,1.40896904468536,0.0
InChI%3D1S%2FC11H16O%2Fc1-11%282%2C12%299-8-10-6-4-3-5-7-10%2Fh3-7%2C12H%2C8-9H2%2C1-2H3,6.0,1.65960001945496,28.0,3.0,2.55999994277954,12.0,55.3855018615723,2.61899995803833,2.75427222251892,6.0
InChI%3D1S%2FC12H20O4%2Fc1-3-5-9-15-11%2813%297-8-12%2814%2916-10-6-4-2%2Fh7-8H%2C3-6%2C9-10H2%2C1-2H3,16.0,-0.953999996185303,36.0,10.0,2.33999991416931,15.0,55.6199989318848,2.92600011825562,0.910116016864777,8.0
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3,17.0,-1.63800001144409,44.0,12.0,2.23000001907349,16.0,60.3110008239746,3.35999989509583,2.68304395675659,5.0
InChI%3D1S%2FC10H14O%2Fc1-2-3-9-11-10-7-5-4-6-8-10%2Fh4-8H%2C2-3%2C9H2%2C1H3,5.0,0.289400011301041,25.0,4.0,2.45000004768372,11.0,48.3367004394531,2.61700010299683,0.0837523564696312,7.0
InChI%3D1S%2FC9H10Cl2N2O%2Fc1-13%282%299%2814%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C1-2H3%2C%28H%2C12%2C14%29,6.0,1.82410001754761,24.0,2.0,1.89999997615814,14.0,62.086799621582,2.31599998474121,3.32734084129333,10.0
InChI%3D1S%2FC8H11N%2Fc1-3-8-5-4-7%282%299-6-8%2Fh4-6H%2C3H2%2C1-2H3,2.0,-0.231600001454353,20.0,1.0,2.23000001907349,9.0,40.9931983947754,0.785000026226044,0.0536385588347912,6.0
InChI%3D1S%2FC4H8Cl2%2Fc5-3-1-2-4-6%2Fh1-4H2,6.0,0.935800015926361,14.0,3.0,1.67999994754791,5.0,26.4787998199463,2.45600008964539,0.875721633434296,0.0
InChI%3D1S%2FC8H16O%2Fc1-7%282%295-6-8%283%2C4%299-7%2Fh5-6H2%2C1-4H3,0.0,1.54530000686646,25.0,0.0,2.23000001907349,9.0,38.0587005615234,2.27999997138977,2.38795208930969,0.0
InChI%3D1S%2FC3H10N2%2Fc4-2-1-3-5%2Fh1-5H2,5.0,-1.76460003852844,15.0,2.0,1.57000005245209,4.0,20.7801990509033,-0.984000027179718,3.11381316184998,0.0
InChI%3D1S%2FC6H4N2O5%2Fc9-6-3-4%287%2810%2911%291-2-5%286%298%2812%2913%2Fh1-3%2C9H,2.0,-0.55349999666214,17.0,2.0,1.35000002384186,13.0,8.33619976043701,2.46499991416931,0.306362241506577,13.0
InChI%3D1S%2FC8H8O3%2Fc1-11-7-4-2-3-6%285-9%298%287%2910%2Fh2-5%2C10H%2C1H3,2.0,-0.0463000014424324,19.0,2.0,2.00999999046326,11.0,44.2785987854004,1.01800000667572,0.00214368989691138,10.0
InChI%3D1S%2FC12H23N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-11H2%2C1H3,13.0,-2.47119998931885,36.0,9.0,2.67000007629395,12.0,42.8508987426758,5.40500020980835,6.10682964324951,1.0
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,3.0,-0.0465999990701675,14.0,1.0,1.78999996185303,9.0,2.88579988479614,2.89400005340576,0.00217155995778739,9.0
InChI%3D1S%2FC7H12O%2Fc1-5-7%284%2C8%296%282%293%2Fh1%2C6%2C8H%2C2-4H3,8.0,1.0320999622345,20.0,1.0,2.11999988555908,7.0,32.6320991516113,1.05999994277954,1.06523036956787,2.0
InChI%3D1S%2FC11H18N2O2S.Na%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%3B%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29%3B%2Fq%3B%2B1%2Fp-1,5.0,,34.0,4.0,2.00999999046326,16.0,,2.61400008201599,,8.0
InChI%3D1S%2FC11H9N%2Fc1-2-4-10%285-3-1%2911-6-8-12-9-7-11%2Fh1-9H,0.0,0.730799973011017,21.0,1.0,2.55999994277954,13.0,55.9019012451172,1.79499995708466,0.534068644046783,12.0
InChI%3D1S%2FC7H17N%2Fc1-2-3-4-5-6-7-8%2Fh2-8H2%2C1H3,8.0,-2.12700009346008,25.0,5.0,2.11999988555908,7.0,29.3910007476807,2.4909999370575,4.52412891387939,0.0
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2%2Fb2-1%2B,5.0,1.51820003986359,9.0,1.0,1.57000005245209,4.0,25.2765998840332,2.09899997711182,2.30493116378784,2.0
InChI%3D1S%2FC9H10O3%2Fc1-6%2810%298-4-3-7%2812-2%295-9%288%2911%2Fh3-5%2C11H%2C1-2H3,2.0,-0.107799999415874,22.0,2.0,2.11999988555908,12.0,48.7551002502441,1.19900000095367,0.0116208400577307,10.0
InChI%3D1S%2FC8H7BrO3%2Fc1-12-7-3-5%284-10%292-6%289%298%287%2911%2Fh2-4%2C11H%2C1H3,2.0,0.406399995088577,19.0,2.0,1.89999997615814,12.0,51.812801361084,1.34200000762939,0.165160953998566,10.0
InChI%3D1S%2FC13H10O3%2Fc14-12-9-5-4-8-11%2812%2913%2815%2916-10-6-2-1-3-7-10%2Fh1-9%2C14H,3.0,1.51020002365112,26.0,3.0,2.55999994277954,17.0,67.9163970947266,2.125,2.28070402145386,16.0
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,0.0,0.874100029468536,17.0,0.0,2.23000001907349,10.0,39.8465003967285,1.067999958992,0.764050781726837,7.0
InChI%3D1S%2FC7H9N%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5H%2C8H2%2C1H3,0.0,0.65310001373291,17.0,0.0,2.11999988555908,8.0,38.7876014709473,0.926999986171722,0.426539599895477,7.0
InChI%3D1S%2FC8H8O4%2Fc1-12-8%2811%296-3-2-5%289%294-7%286%2910%2Fh2-4%2C9-10H%2C1H3,4.0,0.092799998819828,20.0,2.0,1.89999997615814,12.0,44.9351005554199,0.936999976634979,0.00861184019595385,11.0
InChI%3D1S%2FC12H17NO2%2Fc1-12%282%2C3%299-5-7-10%288-6-9%2915-11%2814%2913-4%2Fh5-8H%2C1-4H3%2C%28H%2C13%2C14%29,5.0,2.5524001121521,32.0,3.0,2.45000004768372,15.0,63.434398651123,3.13299989700317,6.51474571228027,10.0
InChI%3D1S%2FC8H9NO%2Fc1-6%2810%297-3-2-4-8%289%295-7%2Fh2-5H%2C9H2%2C1H3,3.0,-0.242799997329712,19.0,1.0,2.11999988555908,10.0,44.0559005737305,0.119000002741814,0.0589518398046494,9.0
InChI%3D1S%2FC9H11NO2%2Fc1-2-12-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3,5.0,0.272700011730194,23.0,3.0,2.11999988555908,12.0,49.567699432373,0.601000010967255,0.0743652880191803,10.0
InChI%3D1S%2FC7H4ClNO3%2Fc8-7-2-1-6%289%2811%2912%293-5%287%294-10%2Fh1-4H,2.0,0.505299985408783,16.0,2.0,1.67999994754791,12.0,14.7952995300293,2.4300000667572,0.255328088998795,11.0
InChI%3D1S%2FC7H6O2.Na%2Fc8-7%289%296-4-2-1-3-5-6%3B%2Fh1-5H%2C%28H%2C8%2C9%29%3B%2Fq%3B%2B1%2Fp-1,3.0,,15.0,1.0,1.89999997615814,9.0,,2.18499994277954,,9.0
InChI%3D1S%2FC4H11N%2Fc1-3-4%282%295%2Fh4H%2C3%2C5H2%2C1-2H3,5.0,-0.985700011253357,16.0,1.0,1.78999996185303,4.0,22.3290004730225,0.675000011920929,0.971604466438293,0.0
InChI%3D1S%2FC7H5NO3%2Fc9-5-6-3-1-2-4-7%286%298%2810%2911%2Fh1-5H,2.0,-0.238999992609024,16.0,2.0,1.78999996185303,11.0,9.17969989776611,2.54500007629395,0.0571210011839867,11.0
InChI%3D1S%2FC7H6Cl2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4H%2C1H3,0.0,2.58719992637634,15.0,0.0,2.00999999046326,9.0,44.6702003479004,2.36199998855591,6.69360399246216,6.0
InChI%3D1S%2FC8H5Cl3O%2Fc1-4%2812%295-2-3-6%289%298%2811%297%285%2910%2Fh2-3H%2C1H3,3.0,2.05999994277954,17.0,1.0,1.89999997615814,12.0,54.6547012329102,2.34200000762939,4.2435998916626,8.0
InChI%3D1S%2FC10H20O%2Fc1-3-4-5-6-7-8-9-10%282%2911%2Fh3-9H2%2C1-2H3,11.0,-1.89579999446869,31.0,7.0,2.45000004768372,10.0,38.6879005432129,3.85199999809265,3.59405755996704,1.0
InChI%3D1S%2FC7H7NO2%2Fc8-7%2810%295-3-1-2-4-6%285%299%2Fh1-4%2C9H%2C%28H2%2C8%2C10%29,3.0,0.563099980354309,17.0,1.0,1.89999997615814,10.0,39.8176002502441,1.31400001049042,0.317081600427628,10.0
InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh1%2C4H%2C3H2,4.0,0.316199988126755,8.0,0.0,1.67999994754791,3.0,15.0410003662109,-0.231000006198883,0.0999824404716492,2.0
InChI%3D1S%2FC9H10O3%2Fc1-2-12-9%2811%297-5-3-4-6-8%287%2910%2Fh3-6%2C10H%2C2H2%2C1H3,5.0,0.906300008296967,22.0,3.0,2.11999988555908,12.0,47.6234016418457,1.65199995040894,0.821379661560059,10.0
InChI%3D1S%2FC20H34O%2Fc1-7-19%285%2C21%2914-11-16-15%282%299-10-17-18%283%2C4%2912-8-13-20%2816%2C17%296%2Fh7%2C16-17%2C21H%2C1-2%2C8-14H2%2C3-6H3%2Ft16-%2C17%3F%2C19%2B%2C20%2B%2Fm0%2Fs1,7.0,2.50430011749268,55.0,4.0,3.54999995231628,22.0,89.8442993164062,7.24399995803833,6.27151870727539,2.0
InChI%3D1S%2FC9H14N.HI%2Fc1-10%282%2C3%299-7-5-4-6-8-9%3B%2Fh4-8H%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1,4.0,,25.0,1.0,2.23000001907349,10.0,,3.46499991416931,,7.0
InChI%3D1S%2FC6H15N3%2Fc7-1-4-9-5-2-8-3-6-9%2Fh8H%2C1-7H2,3.0,-1.08749997615814,24.0,2.0,1.78999996185303,9.0,38.6932983398438,-1.30900001525879,1.18265628814697,0.0
InChI%3D1S%2FC4Cl6%2Fc5-1%283%287%298%292%286%294%289%2910,10.0,3.6340000629425,10.0,1.0,1.24000000953674,9.0,50.6963996887207,4.4520001411438,13.2059564590454,4.0
InChI%3D1S%2FC11H12O2%2Fc1-9%282%2911%2812%2913-8-10-6-4-3-5-7-10%2Fh3-7H%2C1%2C8H2%2C2H3,7.0,2.28220009803772,25.0,4.0,2.45000004768372,13.0,55.1688003540039,1.80599999427795,5.20843696594238,6.0
InChI%3D1S%2FC2H5ClO%2Fc3-1-2-4%2Fh4H%2C1-2H2,4.0,0.307200014591217,9.0,1.0,1.46000003814697,3.0,17.6046009063721,0.266000002622604,0.0943718403577805,0.0
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,0.0,1.40339994430542,12.0,0.0,2.11999988555908,6.0,30.9557991027832,2.08200001716614,1.96953153610229,6.0
InChI%3D1S%2FC6H3Br3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,0.0,2.19840002059937,13.0,0.0,1.67999994754791,10.0,55.1638984680176,2.99399995803833,4.83296251296997,7.0
InChI%3D1S%2FC13H10O%2Fc14-13%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,2.0,2.15179991722107,24.0,2.0,2.77999997138977,15.0,64.8173980712891,2.26600003242493,4.6302433013916,14.0
InChI%3D1S%2FC8H16O2%2Fc1-3-5-6-7-8%289%2910-4-2%2Fh3-7H2%2C1-2H3,10.0,-0.516300022602081,26.0,6.0,2.11999988555908,9.0,35.464900970459,2.62400007247925,0.266565680503845,3.0
InChI%3D1S%2FC8H18S%2Fc1-7%282%2C3%299-8%284%2C5%296%2Fh1-6H3,9.0,2.65779995918274,27.0,2.0,2.23000001907349,8.0,46.7944984436035,3.41100001335144,7.0639009475708,0.0
InChI%3D1S%2FC10H11NO4%2Fc1-14-9%2812%296-3-4-7%288%2811%295-6%2910%2813%2915-2%2Fh3-5H%2C11H2%2C1-2H3,4.0,-0.162100002169609,26.0,4.0,2.00999999046326,15.0,56.0421981811523,0.460999995470047,0.0262764096260071,13.0
InChI%3D1S%2FC6H12O2%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H%2C7%2C8%29,8.0,-1.01769995689392,20.0,4.0,1.89999997615814,7.0,26.4020004272461,1.87999999523163,1.03571331501007,3.0
InChI%3D1S%2FC6H14O%2Fc1-4-6%283%2C7%295-2%2Fh7H%2C4-5H2%2C1-3H3,7.0,-0.779100000858307,21.0,2.0,2.00999999046326,6.0,28.2206993103027,1.51699995994568,0.606996834278107,0.0
InChI%3D1S%2FC6H14O%2Fc1-2-3-4-5-6-7%2Fh7H%2C2-6H2%2C1H3,7.0,-1.54939997196198,21.0,4.0,2.00999999046326,6.0,24.8218994140625,1.9889999628067,2.40064024925232,0.0
InChI%3D1S%2FC4H8O2%2Fc1-3-6-4%282%295%2Fh3H2%2C1-2H3,6.0,0.271499991416931,14.0,2.0,1.67999994754791,5.0,21.706600189209,0.663999974727631,0.0737122520804405,3.0
InChI%3D1S%2FC5H10O%2Fc1-4%282%295%283%296%2Fh4H%2C1-3H3,6.0,0.480399996042252,16.0,1.0,1.89999997615814,5.0,25.8570003509521,0.731000006198883,0.23078416287899,1.0
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%29,5.0,-1.1570999622345,33.0,1.0,1.78999996185303,17.0,35.7252006530762,-0.279000014066696,1.33888041973114,6.0
InChI%3D1S%2FC8H7NO4%2Fc1-13-8%2810%296-2-4-7%285-3-6%299%2811%2912%2Fh2-5H%2C1H3,4.0,-0.0353999994695187,20.0,3.0,1.78999996185303,13.0,14.8741998672485,2.2409999370575,0.00125315994955599,12.0
InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3,9.0,-1.26059997081757,27.0,5.0,2.23000001907349,8.0,35.0635986328125,2.85500001907349,1.58911240100861,0.0
InChI%3D1S%2FC12H24O%2Fc1-3-4-5-6-7-8-9-10-11-12%282%2913%2Fh3-11H2%2C1-2H3,13.0,-2.47180008888245,37.0,9.0,2.67000007629395,12.0,44.511100769043,4.98999977111816,6.10979509353638,1.0
InChI%3D1S%2FC11H16O%2Fc1-4-11%282%2C3%299-5-7-10%2812%298-6-9%2Fh5-8%2C12H%2C4H2%2C1-3H3,5.0,1.86580002307892,28.0,2.0,2.55999994277954,12.0,55.3163986206055,3.28699994087219,3.48120975494385,7.0
InChI%3D1S%2FC9H9Cl%2Fc1-2-8-4-3-5-9%286-8%297-10%2Fh2-6H%2C1%2C7H2,2.0,2.47560000419617,19.0,2.0,2.33999991416931,10.0,48.9906005859375,2.72199988365173,6.12859535217285,8.0
InChI%3D1S%2FC7H3I2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,2.0,1.24440002441406,14.0,0.0,1.78999996185303,11.0,62.1787986755371,2.42199993133545,1.54853141307831,9.0
InChI%3D1S%2FC7H5F4N%2Fc8-6-2-1-4%2812%293-5%286%297%289%2C10%2911%2Fh1-3H%2C12H2,3.0,1.01900005340576,17.0,1.0,1.67999994754791,12.0,39.847900390625,1.32000005245209,1.03836095333099,7.0
InChI%3D1S%2FC10H12N2O5%2Fc1-3-6%282%298-4-7%2811%2814%2915%295-9%2810%288%2913%2912%2816%2917%2Fh4-6%2C13H%2C3H2%2C1-2H3,4.0,-4.31040000915527,29.0,4.0,1.78999996185303,17.0,75.2729034423828,4.0939998626709,18.5795478820801,13.0
InChI%3D1S%2FC10H12N2.ClH%2Fc1-2-4-9%285-3-1%298-10-11-6-7-12-10%3B%2Fh1-5H%2C6-8H2%2C%28H%2C11%2C12%29%3B1H,0.0,-0.642799973487854,26.0,2.0,2.23000001907349,13.0,22.4853992462158,3.64199995994568,0.413191825151443,6.0
InChI%3D1S%2FC2H8N2%2Fc3-1-2-4%2Fh1-4H2,4.0,-1.47660005092621,12.0,1.0,1.46000003814697,3.0,17.8686008453369,-1.34200000762939,2.18034744262695,0.0
InChI%3D1S%2FC15H12Cl4O2%2Fc1-15%282%2C7-3-9%2816%2913%2820%2910%2817%294-7%298-5-11%2818%2914%2821%2912%2819%296-8%2Fh3-6%2C20-21H%2C1-2H3,3.0,3.67840003967285,33.0,2.0,2.45000004768372,22.0,95.1718978881836,4.97800016403198,13.5306262969971,7.0
InChI%3D1S%2FC4H3BrS%2Fc5-4-1-2-6-3-4%2Fh1-3H,0.0,1.16419994831085,13.0,0.0,1.67999994754791,6.0,32.1264991760254,2.30599999427795,1.35536158084869,0.0
InChI%3D1S%2FC8H6ClN%2Fc1-6-3-2-4-8%289%297%286%295-10%2Fh2-4H%2C1H3,1.0,2.0576000213623,16.0,0.0,2.11999988555908,10.0,44.9324989318848,1.63699996471405,4.233717918396,8.0
InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H,5.0,1.74279999732971,6.0,0.0,1.35000002384186,4.0,25.2621994018555,2.64199995994568,3.03735184669495,2.0
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%29,5.0,1.40919995307922,31.0,3.0,2.23000001907349,15.0,63.4287986755371,1.86500000953674,1.98584461212158,11.0
InChI%3D1S%2FC9H11Cl3NO3PS%2Fc1-3-14-17%2818%2C15-4-2%2916-9-7%2811%295-6%2810%298%2812%2913-9%2Fh5H%2C3-4H2%2C1-2H3,0.0,-0.706900000572205,13.0,0.0,1.78999996185303,5.0,16.86669921875,0.526000022888184,0.499707609415054,0.0
InChI%3D1S%2FC9H11NO%2Fc1-2-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3,4.0,-0.166600003838539,22.0,2.0,2.23000001907349,11.0,49.0793991088867,0.372000008821487,0.0277555603533983,9.0
InChI%3D1S%2FC4H10O%2Fc1-4%282%293-5%2Fh4-5H%2C3H2%2C1-2H3,5.0,0.124200001358986,15.0,1.0,1.78999996185303,4.0,21.5445995330811,0.578999996185303,0.0154256401583552,0.0
InChI%3D1S%2FC8H18S2%2Fc1-3-5-9-7-8-10-6-4-2%2Fh3-8H2%2C1-2H3,10.0,0.754199981689453,28.0,7.0,2.11999988555908,9.0,52.0564002990723,3.71399998664856,0.568817615509033,0.0
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,0.0,-0.281399995088577,11.0,0.0,1.89999997615814,6.0,27.3862991333008,-0.0410000011324883,0.079185962677002,6.0
InChI%3D1S%2FC5H13N%2Fc1-2-3-4-5-6%2Fh2-6H2%2C1H3,6.0,-1.55099999904633,19.0,3.0,1.89999997615814,5.0,23.5678005218506,1.35300004482269,2.40560102462769,0.0
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,6.0,2.2056999206543,11.0,2.0,1.46000003814697,5.0,29.6690998077393,2.37899994850159,4.8651123046875,0.0
InChI%3D1S%2FC9H12O%2Fc1-2-3-8-4-6-9%2810%297-5-8%2Fh4-7%2C10H%2C2-3H2%2C1H3,3.0,0.470400005578995,22.0,2.0,2.33999991416931,10.0,45.0168991088867,2.37100005149841,0.221276164054871,7.0
InChI%3D1S%2FC8H6BrNO5%2Fc1-15-8-6%2810%2813%2914%294%283-11%292-5%289%297%288%2912%2Fh2-3%2C12H%2C1H3,2.0,0.137700006365776,21.0,3.0,1.57000005245209,15.0,27.659200668335,1.36099994182587,0.0189612898975611,13.0
InChI%3D1S%2FC7H3Cl2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,2.0,1.41680002212524,14.0,0.0,1.78999996185303,11.0,46.9721984863281,1.52999997138977,2.00732231140137,9.0
InChI%3D1S%2FC9H9Cl2NO%2Fc1-2-9%2813%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C2H2%2C1H3%2C%28H%2C12%2C13%29,5.0,1.6985000371933,22.0,2.0,2.00999999046326,13.0,58.6402015686035,2.10400009155273,2.88490223884583,9.0
InChI%3D1S%2FC7H16O%2Fc1-2-3-4-5-6-7-8%2Fh8H%2C2-7H2%2C1H3,8.0,-1.83739995956421,24.0,5.0,2.11999988555908,7.0,27.7334995269775,2.55800008773804,3.37603878974915,0.0
InChI%3D1S%2FC11H8O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6H%2C1H3,0.0,1.29209995269775,21.0,0.0,2.45000004768372,14.0,53.7331008911133,0.672999978065491,1.66952240467072,12.0
InChI%3D1S%2FC6H4Cl2%2Fc7-5-2-1-3-6%288%294-5%2Fh1-4H,0.0,2.14079999923706,12.0,0.0,1.89999997615814,8.0,40.3881988525391,1.97000002861023,4.58302450180054,6.0
InChI%3D1S%2FC11H25N%2Fc1-2-3-4-5-6-7-8-9-10-11-12%2Fh2-12H2%2C1H3,12.0,-3.27900004386902,37.0,9.0,2.55999994277954,11.0,41.0373992919922,4.76700019836426,10.7518405914307,0.0
InChI%3D1S%2FC7H4ClFO%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-4H,2.0,1.29390001296997,14.0,1.0,1.89999997615814,10.0,40.8736000061035,1.12300002574921,1.6741771697998,8.0
InChI%3D1S%2FC11H18N2O3.Na%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%3B%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29%3B%2Fq%3B%2B1%2Fp-1,5.0,,34.0,4.0,2.00999999046326,16.0,,3.06900000572205,,8.0
InChI%3D1S%2FC12H10O%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10H,0.0,1.75909996032715,23.0,2.0,2.67000007629395,14.0,62.1861000061035,2.16300010681152,3.09443283081055,13.0
InChI%3D1S%2FC12H19NO%2Fc1-2-3-4-5-10-14-12-8-6-11%2813%297-9-12%2Fh6-9H%2C2-5%2C10%2C13H2%2C1H3,7.0,-1.48329997062683,33.0,6.0,2.55999994277954,14.0,57.7097015380859,3.05200004577637,2.20017886161804,8.0
InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%288%296%2811%295%2810%294%282%299%2Fh1%2C11H,0.0,2.3150999546051,13.0,0.0,1.57000005245209,11.0,51.4261016845703,3.04299998283386,5.35968780517578,7.0
InChI%3D1S%2FC7H12O4%2Fc1-3-10-6%288%295-7%289%2911-4-2%2Fh3-5H2%2C1-2H3,11.0,0.558000028133392,23.0,6.0,1.78999996185303,10.0,37.1136016845703,1.18900001049042,0.311363995075226,3.0
InChI%3D1S%2FC8H8N2O%2Fc1-5-3-6%282%2910-8%2811%297%285%294-9%2Fh3H%2C1-2H3%2C%28H%2C10%2C11%29,1.0,0.911700010299683,19.0,0.0,2.00999999046326,11.0,42.168701171875,0.25,0.831196904182434,9.0
InChI%3D1S%2FC11H18N2O3%2Fc1-4-11%286-5-7%282%293%298%2814%2912-10%2816%2913-9%2811%2915%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29,5.0,-0.232700005173683,34.0,4.0,2.11999988555908,16.0,58.051399230957,3.06900000572205,0.0541492886841297,8.0
InChI%3D1S%2FC9H19NO%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh9H%2C3-8H2%2C1-2H3,11.0,-1.72990000247955,30.0,7.0,2.23000001907349,10.0,41.6621017456055,2.31599998474121,2.99255394935608,3.0
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,3.0,1.6172000169754,5.0,0.0,1.24000000953674,3.0,21.364200592041,2.07399988174438,2.6153359413147,0.0
InChI%3D1S%2FC11H15NO2%2Fc1-3-12%284-2%2910-6-5-9%288-13%2911%2814%297-10%2Fh5-8%2C14H%2C3-4H2%2C1-2H3,5.0,0.72409999370575,29.0,4.0,2.33999991416931,14.0,59.8418006896973,2.15799999237061,0.524320781230927,10.0
InChI%3D1S%2FC8H7N%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-5H%2C1H3,1.0,1.68889999389648,16.0,0.0,2.23000001907349,9.0,40.2163009643555,1.48199999332428,2.85238313674927,8.0
InChI%3D1S%2FC6H14S2%2Fc1-5%282%297-8-6%283%294%2Fh5-6H%2C1-4H3,8.0,1.28559994697571,22.0,3.0,1.89999997615814,7.0,45.9776000976562,2.87599992752075,1.65276730060577,0.0
InChI%3D1S%2FC7H7NO%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H%2C%28H2%2C8%2C9%29,3.0,1.12619996070862,16.0,1.0,2.00999999046326,9.0,38.212100982666,1.38800001144409,1.26832640171051,9.0
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%29,5.0,-0.927500009536743,32.0,3.0,1.78999996185303,16.0,37.1203994750977,,0.860256254673004,10.0
InChI%3D1S%2FC16H22O4%2Fc1-3-5-10-19-15%2817%2913-8-7-9-14%2812-13%2916%2818%2920-11-6-4-2%2Fh7-9%2C12H%2C3-6%2C10-11H2%2C1-2H3,7.0,-0.196199998259544,42.0,10.0,2.77999997138977,20.0,73.9672012329102,3.43499994277954,0.0384944416582584,12.0
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,0.0,-0.344300001859665,16.0,0.0,1.67999994754791,6.0,24.4801998138428,-0.174999997019768,0.118542492389679,0.0
InChI%3D1S%2FC7H9N%2Fc1-2-7-5-3-4-6-8-7%2Fh3-6H%2C2H2%2C1H3,2.0,-0.266699999570847,17.0,1.0,2.11999988555908,8.0,36.8862991333008,0.39300000667572,0.0711288899183273,6.0
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,6.0,2.42880010604858,6.0,0.0,1.24000000953674,5.0,30.9454002380371,3.02600002288818,5.89906930923462,2.0
InChI%3D1S%2FC11H16%2Fc1-2-3-5-8-11-9-6-4-7-10-11%2Fh4%2C6-7%2C9-10H%2C2-3%2C5%2C8H2%2C1H3,5.0,0.457500010728836,27.0,4.0,2.67000007629395,11.0,49.2346000671387,4.64499998092651,0.209306254982948,6.0
InChI%3D1S%2FC7H8O%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5%2C8H%2C1H3,0.0,1.28670001029968,16.0,0.0,2.11999988555908,8.0,36.8432998657227,1.12699997425079,1.65559685230255,7.0
InChI%3D1S%2FC13H11NO3%2Fc14-9-6-7-11%2812%2815%298-9%2913%2816%2917-10-4-2-1-3-5-10%2Fh1-8%2C15H%2C14H2,3.0,0.313499987125397,28.0,3.0,2.45000004768372,18.0,71.4662017822266,1.42200005054474,0.0982822477817535,17.0
InChI%3D1S%2FC8H18S2%2Fc1-3-9-7-5-6-8-10-4-2%2Fh3-8H2%2C1-2H3,10.0,1.33379995822906,28.0,7.0,2.11999988555908,9.0,50.815601348877,3.71399998664856,1.77902245521545,0.0
InChI%3D1S%2FC6H10O3%2Fc1-5%282%296%288%299-4-3-7%2Fh7H%2C1%2C3-4H2%2C2H3,9.0,0.625699996948242,19.0,4.0,1.78999996185303,8.0,32.7098999023438,0.00499999988824129,0.391500502824783,5.0
InChI%3D1S%2FC7H4Br2O2%2Fc8-5-1-4%283-10%297%2811%296%289%292-5%2Fh1-3%2C11H,2.0,1.35769999027252,15.0,1.0,1.78999996185303,11.0,52.703498840332,2.28399991989136,1.84334933757782,9.0
InChI%3D1S%2FC6H6BrN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,0.0,0.65939998626709,14.0,0.0,1.89999997615814,8.0,42.0397987365723,1.07700002193451,0.434808373451233,7.0
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,6.0,2.39919996261597,8.0,1.0,1.24000000953674,5.0,30.7637996673584,2.57599997520447,5.75616073608398,0.0
InChI%3D1S%2FC9H13N%2Fc1-8-4-6-9%287-5-8%2910%282%293%2Fh4-7H%2C1-3H3,2.0,1.62080001831055,23.0,1.0,2.33999991416931,10.0,48.8568992614746,1.95299994945526,2.62699270248413,7.0
InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,10.0,0.972699999809265,20.0,3.0,1.46000003814697,9.0,40.3573989868164,1.63300001621246,0.946145296096802,6.0
InChI%3D1S%2FC8H5F3O%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-5H,3.0,1.91789996623993,17.0,2.0,1.89999997615814,12.0,41.2440986633301,1.52100002765656,3.67834043502808,8.0
InChI%3D1S%2FC6H5ClO%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C8H,0.0,1.20899999141693,13.0,0.0,1.89999997615814,8.0,37.2775001525879,1.31200003623962,1.46168100833893,7.0
InChI%3D1S%2FC10H18%2Fc1-3-5-7-9-10-8-6-4-2%2Fh3-4H%2C1-2%2C5-10H2,10.0,0.774200022220612,28.0,7.0,2.55999994277954,9.0,40.8443984985352,5.2979998588562,0.599385619163513,2.0
InChI%3D1S%2FC9H14O2%2Fc1-2-9%2810%2911-8-6-4-3-5-7-8%2Fh2%2C8H%2C1%2C3-7H2,5.0,-0.980700016021729,25.0,3.0,2.23000001907349,11.0,34.3196983337402,2.36100006103516,0.961772501468658,5.0
InChI%3D1S%2FC17H18O2%2Fc1-17%282%2C3%2914-7-9-15%2810-8-14%2919-16-6-4-5-13%2811-16%2912-18%2Fh4-12H%2C1-3H3,4.0,2.73169994354248,37.0,4.0,3.10999989509583,20.0,85.1666030883789,3.33800005912781,7.46218490600586,15.0
InChI%3D1S%2FC6H12O2%2Fc1-3-4-5-8-6%282%297%2Fh3-5H2%2C1-2H3,8.0,-0.594299972057343,20.0,4.0,1.89999997615814,7.0,28.1501998901367,1.59099996089935,0.35319247841835,3.0
InChI%3D1S%2FC6H5ClO2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3%2C8-9H,0.0,0.645900011062622,14.0,0.0,1.78999996185303,9.0,38.882999420166,1.6599999666214,0.417186796665192,8.0
InChI%3D1S%2FC7H9N%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6%2C8H2,2.0,0.469500005245209,17.0,1.0,2.11999988555908,8.0,38.6699981689453,0.526000022888184,0.220430254936218,6.0
InChI%3D1S%2FC7H16O%2Fc1-5%282%297%288%296%283%294%2Fh5-8H%2C1-4H3,8.0,0.63510000705719,24.0,2.0,2.11999988555908,7.0,34.4981002807617,1.69400000572205,0.403352022171021,0.0
InChI%3D1S%2FC3H10N2%2Fc1-3%285%292-4%2Fh3H%2C2%2C4-5H2%2C1H3,5.0,-1.48730003833771,15.0,1.0,1.57000005245209,4.0,22.4529991149902,-0.882000029087067,2.21206140518188,0.0
InChI%3D1S%2FC8H12N2O2S%2Fc1-3-9-6%2811%295-7%2812%2910%284-2%298%289%2913%2Fh3-5H2%2C1-2H3,2.0,0.764599978923798,25.0,2.0,1.78999996185303,13.0,52.3466987609863,-0.247999995946884,0.584613144397736,8.0
InChI%3D1S%2FC7H4Cl2O%2Fc8-6-2-1-5%284-10%297%289%293-6%2Fh1-4H,2.0,1.75279998779297,14.0,1.0,1.89999997615814,10.0,45.4620018005371,1.58399999141693,3.0723078250885,8.0
InChI%3D1S%2FC8H11NO%2Fc10-6-2-4-8-3-1-5-9-7-8%2Fh1%2C3%2C5%2C7%2C10H%2C2%2C4%2C6H2,4.0,-1.15129995346069,21.0,3.0,2.11999988555908,10.0,41.2200012207031,-0.381000012159348,1.32549166679382,6.0
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,2.0,1.07290005683899,5.0,0.0,1.35000002384186,2.0,16.4382991790771,1.51900005340576,1.15111446380615,0.0
InChI%3D1S%2FC6H14S2%2Fc1-3-7-5-6-8-4-2%2Fh3-6H2%2C1-2H3,8.0,1.90980005264282,22.0,5.0,1.89999997615814,7.0,44.9924011230469,2.99799990653992,3.64733600616455,0.0
InChI%3D1S%2FC6H15NO%2Fc1-3-7%284-2%295-6-8%2Fh8H%2C3-6H2%2C1-2H3,8.0,0.28150001168251,23.0,4.0,1.89999997615814,7.0,34.8680000305176,0.200000002980232,0.0792422518134117,0.0
InChI%3D1S%2FC6H4FNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H,3.0,0.817099988460541,14.0,1.0,1.67999994754791,10.0,104.348098754883,2.72399997711182,0.667652428150177,9.0
InChI%3D1S%2FC6H12O%2Fc1-5%287%296%282%2C3%294%2Fh1-4H3,7.0,1.30229997634888,19.0,1.0,2.00999999046326,6.0,29.8971996307373,0.931999981403351,1.69598531723022,1.0
InChI%3D1S%2FC11H14O4%2Fc1-7%2812%298-5-6-9%2813-2%2911%2815-4%2910%288%2914-3%2Fh5-6H%2C1-4H3,2.0,-0.541899979114532,29.0,4.0,2.23000001907349,15.0,60.4365997314453,1.3309999704361,0.293655604124069,11.0
InChI%3D1S%2FC13H26O%2Fc1-3-4-5-6-7-8-9-10-11-12-13%282%2914%2Fh3-12H2%2C1-2H3,14.0,-2.75979995727539,40.0,10.0,2.77999997138977,13.0,47.4226989746094,5.55900001525879,7.61649608612061,1.0
InChI%3D1S%2FC6H14%2Fc1-3-5-6-4-2%2Fh3-6H2%2C1-2H3,6.0,-1.04939997196198,20.0,3.0,2.11999988555908,5.0,23.4437999725342,3.75399994850159,1.10124039649963,0.0
InChI%3D1S%2FC7H4Cl4%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3%2C7H,2.0,3.14479994773865,15.0,1.0,1.78999996185303,11.0,54.5499992370605,2.80200004577637,9.88976669311523,6.0
InChI%3D1S%2FC7H13N3O3S%2Fc1-8-7%2812%2913-9-5%2814-4%296%2811%2910%282%293%2Fh1-4H3%2C%28H%2C8%2C12%29,14.0,0.532599985599518,27.0,5.0,1.46000003814697,13.0,53.7678985595703,0.953999996185303,0.283662766218185,9.0
InChI%3D1S%2FC12H8BrNO%2Fc13-11-5-3-9%284-6-11%2912%2815%2910-2-1-7-14-8-10%2Fh1-8H,2.0,0.919700026512146,23.0,2.0,2.45000004768372,16.0,68.782096862793,0.896000027656555,0.845848083496094,14.0
InChI%3D1S%2FC10H16O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7H%2C4-6H2%2C1-3H3,0.0,0.969299972057343,27.0,0.0,2.45000004768372,12.0,43.7625007629395,2.12700009346008,0.939542472362518,1.0
InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2,0.0,0.206699997186661,14.0,0.0,2.00999999046326,7.0,34.5055999755859,0.535000026226044,0.0427248887717724,7.0