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

SMILES,XLogP,AMR,ALogp2,nAtom,nAtomP,nB,nAtomLC,ALogP,nRotB,MLogP
InChI%3D1S%2FC13H12BrCl2N3O%2Fc14-9-4-13%2820-5-9%2C6-19-8-17-7-18-19%2911-2-1-10%2815%293-12%2811%2916%2Fh1-3%2C7-9H%2C4-6H2,1.83399999141693,86.92919921875,3.26452612876892,36.0,6.0,22.0,0.0,1.80680000782013,3.0,2.11999988555908
InChI%3D1S%2FC12H14N2%2Fc1-13-7-3-11%284-8-13%2912-5-9-14%282%2910-6-12%2Fh3-10H%2C1-2H3,-0.225999996066093,61.7238006591797,1.89447700977325,36.0,2.0,15.0,0.0,1.37639999389648,0.0,2.55999994277954
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,3.36500000953674,94.7104034423828,16.7772159576416,29.0,6.0,21.0,6.0,4.09600019454956,3.0,2.33999991416931
InChI%3D1S%2FC20H22N4O6S%2Fc1-28-12-17%2825%2921-16-11-14%2831-13-7-5-4-6-8-13%299-10-15%2816%2922-18%2823-19%2826%2929-2%2924-20%2827%2930-3%2Fh4-11H%2C12H2%2C1-3H3%2C%28H%2C21%2C25%29%28H2%2C22%2C23%2C24%2C26%2C27%29,0.966000020503998,124.218597412109,2.81803369522095,53.0,19.0,32.0,12.0,1.67869997024536,10.0,2.45000004768372
InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2,2.76999998092651,77.7978973388672,7.41854190826416,27.0,5.0,19.0,7.0,2.72370004653931,3.0,1.67999994754791
InChI%3D1S%2FC7H12ClN5%2Fc1-3-9-6-11-5%288%2912-7%2813-6%2910-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29,1.65799999237061,48.8867988586426,0.717917263507843,27.0,7.0,13.0,3.0,0.847299993038177,2.0,1.57000005245209
InChI%3D1S%2FC8H6Cl2O3%2Fc9-5-1-2-7%286%2810%293-5%2913-4-8%2811%2912%2Fh1-3H%2C4H2%2C%28H%2C11%2C12%29,1.59200000762939,53.1162986755371,1.20626294612885,19.0,7.0,13.0,5.0,1.09829998016357,3.0,1.78999996185303
InChI%3D1S%2FC15H12F3NO4S%2Fc1-24%2821%2C22%2912-6-9%2815%2816%2C17%2918%294-5-10%2812%2913%2820%2911-7-19-23-14%2811%298-2-3-8%2Fh4-8H%2C2-3H2%2C1H3,1.64499998092651,82.3193969726562,0.27447122335434,40.0,11.0,26.0,4.0,0.523899972438812,5.0,2.11999988555908
InChI%3D1S%2FC16H12ClF4N3O4%2Fc1-2-22%288-10-11%2817%294-3-5-12%2810%2918%2915-13%2823%2825%2926%296-9%2816%2819%2C20%2921%297-14%2815%2924%2827%2928%2Fh3-7H%2C2%2C8H2%2C1H3,6.03599977493286,36.2949981689453,6.79332113265991,40.0,13.0,29.0,4.0,2.60640001296997,7.0,1.89999997615814
InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3-8H%2C1-2H3,2.64599990844727,52.4303016662598,2.61307215690613,23.0,9.0,11.0,3.0,1.61650002002716,2.0,2.45000004768372
InChI%3D1S%2FC24H38O4%2Fc1-5-9-13-19%287-3%2917-27-23%2825%2921-15-11-12-16-22%2821%2924%2826%2928-18-20%288-4%2914-10-6-2%2Fh11-12%2C15-16%2C19-20H%2C5-10%2C13-14%2C17-18H2%2C1-4H3,7.65399980545044,106.09700012207,0.59382438659668,66.0,12.0,28.0,11.0,-0.770600020885468,16.0,3.66000008583069
InChI%3D1S%2FC15H11BrClF3N2O%2Fc1-2-23-8-22-13%289-3-5-10%2817%296-4-9%2911%287-21%2912%2816%2914%2822%2915%2818%2C19%2920%2Fh3-6H%2C2%2C8H2%2C1H3,3.32200002670288,88.2409973144531,12.3868799209595,38.0,6.0,24.0,4.0,3.51950001716614,5.0,2.23000001907349
InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,0.801999986171722,29.2457008361816,0.809640049934387,10.0,0.0,6.0,7.0,0.89980000257492,1.0,1.12999999523163
InChI%3D1S%2FC14H16ClN5O5S%2Fc1-9-16-12%2819-14%2817-9%2924-2%2918-13%2821%2920-26%2822%2C23%2911-6-4-3-5-10%2811%2925-8-7-15%2Fh3-6H%2C7-8H2%2C1-2H3%2C%28H2%2C16%2C17%2C18%2C19%2C20%2C21%29,1.52100002765656,96.6485977172852,0.00853776000440121,46.0,17.0,27.0,7.0,0.092399999499321,7.0,1.67999994754791
InChI%3D1S%2FC19H22FN3O%2Fc20-17-8-6-16%287-9-17%2918%2824%294-3-11-22-12-14-23%2815-13-22%2919-5-1-2-10-21-19%2Fh1-2%2C5-10H%2C3-4%2C11-15H2,0.96100002527237,97.663200378418,0.00270400010049343,46.0,8.0,26.0,5.0,-0.0520000010728836,6.0,3.0
InChI%3D1S%2FC10H14NO5PS%2Fc1-3-14-17%2818%2C15-4-2%2916-10-7-5-9%286-8-10%2911%2812%2913%2Fh5-8H%2C3-4H2%2C1-2H3,4.32600021362305,41.8664016723633,2.12926459312439,32.0,14.0,18.0,9.0,1.4592000246048,7.0,1.67999994754791
InChI%3D1S%2FC17H14ClF7O2%2Fc1-6-11%2819%2913%2821%297%2814%2822%2912%286%2920%295-27-15%2826%2910-8%2816%2810%2C2%293%294-9%2818%2917%2823%2C24%2925%2Fh4%2C8%2C10H%2C5H2%2C1-3H3,4.20900011062622,88.0281982421875,14.3421268463135,41.0,6.0,28.0,7.0,3.78710007667542,6.0,2.23000001907349
InChI%3D1S%2FC14H12FNO3%2Fc1-7-2-3-8-4-9%2815%295-10-12%288%2916%287%296-11%2813%2810%2917%2914%2818%2919%2Fh4-7H%2C2-3H2%2C1H3%2C%28H%2C18%2C19%29,1.21099996566772,68.841796875,0.139128997921944,33.0,9.0,21.0,2.0,-0.372999995946884,1.0,2.45000004768372
InChI%3D1S%2FC13H15N3O3%2Fc1-7%282%2913%283%2912%2819%2915-10%2816-13%299-8%2811%2817%2918%295-4-6-14-9%2Fh4-7H%2C1-3H3%2C%28H%2C17%2C18%29%28H%2C15%2C16%2C19%29,0.982999980449677,69.1834030151367,0.367599695920944,34.0,14.0,20.0,3.0,-0.606299996376038,3.0,2.23000001907349
InChI%3D1S%2FC9H7N3S%2Fc1-6-3-2-4-7-8%286%2912-5-10-11-9%2812%2913-7%2Fh2-5H%2C1H3,-0.5,32.0351982116699,0.161684408783913,22.0,11.0,15.0,0.0,-0.402099996805191,0.0,2.00999999046326
InChI%3D1S%2FC2H7O3P%2Fc1-4-6%283%295-2%2Fh6H%2C1-2H3,-0.741999983787537,15.5367002487183,0.060565210878849,13.0,4.0,5.0,6.0,0.24609999358654,2.0,1.24000000953674
InChI%3D1S%2FC16H14Cl2O3%2Fc1-2-21-15%2819%2916%2820%2C11-3-7-13%2817%298-4-11%2912-5-9-14%2818%2910-6-12%2Fh3-10%2C20H%2C2H2%2C1H3,1.82099997997284,90.053596496582,7.12569618225098,35.0,6.0,22.0,7.0,2.66939997673035,5.0,2.67000007629395
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,2.57100009918213,61.0769004821777,3.43175625801086,23.0,13.0,14.0,0.0,1.85249996185303,1.0,2.67000007629395
InChI%3D1S%2FC11H15NO2%2Fc1-7-5-10%2814-11%2813%2912-4%296-8%282%299%287%293%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,1.22099995613098,30.2247009277344,0.916997730731964,21.0,0.0,9.0,0.0,0.957599997520447,0.0,1.78999996185303
InChI%3D1S%2FC9H16N4OS%2Fc1-9%282%2C3%296-11-12-8%2815-6%2913%285%297%2814%2910-4%2Fh1-5H3%2C%28H%2C10%2C14%29,2.59899997711182,49.0110015869141,3.76592826843262,32.0,9.0,15.0,6.0,1.94060003757477,3.0,1.78999996185303
InChI%3D1S%2FC11H15NO2S%2Fc1-7-5-9%2814-11%2813%2912-3%296-8%282%2910%287%2915-4%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,2.20900011062622,66.9095993041992,5.43216228485107,30.0,10.0,15.0,5.0,2.3306999206543,3.0,2.23000001907349
InChI%3D1S%2FC22H28N2O3%2Fc1-14-11-15%282%2913-17%2812-14%2921%2826%2924%2822%284%2C5%296%2923-20%2825%2918-9-8-10-19%2827-7%2916%2818%293%2Fh8-13H%2C1-7H3%2C%28H%2C23%2C25%29,4.36899995803833,114.379302978516,12.7691879272461,55.0,19.0,28.0,10.0,3.57340002059937,6.0,3.32999992370605
InChI%3D1S%2FC6H8N2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H%2C7-8H2,0.180000007152557,39.6609001159668,2.4121196269989,17.0,9.0,9.0,0.0,-1.55309998989105,0.0,1.78999996185303
InChI%3D1S%2FC14H16ClN3O2%2Fc1-14%282%2C3%2912%2819%2913%2818-9-16-8-17-18%2920-11-6-4-10%2815%295-7-11%2Fh4-9%2C13H%2C1-3H3,1.98199999332428,82.2531967163086,3.18479704856873,40.0,7.0,21.0,8.0,1.78460001945496,5.0,2.33999991416931
InChI%3D1S%2FC12H10Cl2F3NO%2Fc13-5-7-6-18%2811%2819%2910%287%2914%299-3-1-2-8%284-9%2912%2815%2C16%2917%2Fh1-4%2C7%2C10H%2C5-6H2,2.31100010871887,69.720703125,5.16607427597046,29.0,9.0,20.0,3.0,2.27290010452271,3.0,2.00999999046326
InChI%3D1S%2FC8H10N2O4S%2Fc1-14-8%2811%2910-15%2812%2C13%297-4-2-6%289%293-5-7%2Fh2-5H%2C9H2%2C1H3%2C%28H%2C10%2C11%29,-0.231000006198883,57.7993011474609,0.547599971294403,25.0,14.0,15.0,8.0,-0.740000009536743,3.0,1.57000005245209
InChI%3D1S%2FC17H9Cl3N4O2%2Fc18-10-3-1-9%282-4-10%2911%287-21%2915-12%2819%295-6-13%2816%2815%2920%2924-17%2826%2923-14%2825%298-22-24%2Fh1-6%2C8%2C11H%2C%28H%2C23%2C25%2C26%29,1.88699996471405,106.464797973633,2.56096005439758,39.0,11.0,28.0,3.0,1.60029995441437,3.0,2.33999991416931
InChI%3D1S%2FC5H5N3O%2Fc6-5%289%294-3-7-1-2-8-4%2Fh1-3H%2C%28H2%2C6%2C9%29,-0.958999991416931,31.4822998046875,1.80983209609985,14.0,9.0,9.0,3.0,-1.34529995918274,1.0,1.57000005245209
InChI%3D1S%2FC7H14NO5P%2Fc1-6%285-7%289%298-2%2913-14%2810%2C11-3%2912-4%2Fh5H%2C1-4H3%2C%28H%2C8%2C9%29,0.096000000834465,51.5987014770508,0.02076480910182,28.0,10.0,13.0,14.0,0.144099995493889,5.0,1.46000003814697
InChI%3D1S%2FC4H6O2%2Fc1-3%282%294%285%296%2Fh1H2%2C2H3%2C%28H%2C5%2C6%29,0.39300000667572,21.6485004425049,0.835578799247742,12.0,5.0,5.0,6.0,0.914099991321564,1.0,1.67999994754791
InChI%3D1S%2FC22H18N2O4%2Fc1-22%2816-12-14-19%2815-13-16%2927-18-10-6-3-7-11-18%2920%2825%2924%2821%2826%2928-22%2923-17-8-4-2-5-9-17%2Fh2-15%2C23H%2C1H3,3.21099996566772,116.319297790527,4.18939018249512,46.0,13.0,31.0,0.0,2.04679989814758,5.0,3.22000002861023
InChI%3D1S%2FC19H15ClF3NO7%2Fc1-3-29-17%2825%2910%282%2930-18%2826%2913-9-12%285-7-15%2813%2924%2827%2928%2931-16-8-11%2819%2821%2C22%2923%294-6-14%2816%2920%2Fh4-10H%2C3H2%2C1-2H3,5.99100017547607,48.3504981994629,2.91180086135864,46.0,19.0,32.0,10.0,1.70640003681183,10.0,2.23000001907349
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%2C1-4H3,2.00699996948242,77.2726974487305,3.85768890380859,38.0,4.0,18.0,19.0,1.96410000324249,11.0,1.57000005245209
InChI%3D1S%2FC22H17ClF3N3O7%2Fc1-33-18%2830%2921-10-12-9-13%2823%293-8-16%2812%2917%2821%2927-28%2811-35-21%2919%2831%2929%2820%2832%2934-2%2914-4-6-15%287-5-14%2936-22%2824%2C25%2926%2Fh3-9H%2C10-11H2%2C1-2H3,5.29500007629395,67.4766006469727,6.37057590484619,53.0,22.0,39.0,7.0,2.5239999294281,9.0,2.33999991416931
InChI%3D1S%2FC15H17N5O6S%2Fc1-9-16-13%2818-14%2817-9%2926-4%2920%282%2915%2822%2919-27%2823%2C24%2911-8-6-5-7-10%2811%2912%2821%2925-3%2Fh5-8H%2C1-4H3%2C%28H%2C19%2C22%29,-0.159999996423721,96.6369018554688,0.854700267314911,44.0,23.0,28.0,8.0,-0.924499988555908,7.0,1.78999996185303
InChI%3D1S%2FC11H14ClNO%2Fc1-9%282%2913%2811%2814%298-12%2910-6-4-3-5-7-10%2Fh3-7%2C9H%2C8H2%2C1-2H3,1.86800003051758,63.097900390625,0.839972257614136,28.0,9.0,14.0,8.0,0.916499972343445,4.0,2.33999991416931
InChI%3D1S%2FC9H9ClO3%2Fc1-6-4-7%2810%292-3-8%286%2913-5-9%2811%2912%2Fh2-4H%2C5H2%2C1H3%2C%28H%2C11%2C12%29,1.19599997997284,52.6820983886719,1.38297605514526,22.0,7.0,13.0,5.0,1.17599999904633,3.0,2.00999999046326
InChI%3D1S%2FC6H9N3O3%2Fc1-5-7-4-6%289%2811%2912%298%285%292-3-10%2Fh4%2C10H%2C2-3H2%2C1H3,0.017000000923872,23.6714992523193,0.175728633999825,25.0,2.0,12.0,3.0,-0.419200003147125,3.0,1.46000003814697
InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H,1.89400005340576,63.867000579834,2.2284517288208,24.0,13.0,14.0,0.0,1.49279999732971,2.0,2.67000007629395
InChI%3D1S%2FC15H15F3N2O2%2Fc1-10%282%2914%2821%2C12-7-19-9-20-8-12%2911-3-5-13%286-4-11%2922-15%2816%2C17%2918%2Fh3-10%2C21H%2C1-2H3,1.23099994659424,79.899299621582,1.33333206176758,37.0,7.0,23.0,5.0,1.15470004081726,5.0,2.33999991416931
InChI%3D1S%2FC19H15ClF3NO7%2Fc1-3-29-17%2825%2910%282%2930-18%2826%2913-9-12%285-6-15%2813%2924%2827%2928%2931-16-7-4-11%288-14%2816%2920%2919%2821%2C22%2923%2Fh4-10H%2C3H2%2C1-2H3,5.99100017547607,48.3504981994629,2.91180086135864,46.0,19.0,32.0,10.0,1.70640003681183,10.0,2.23000001907349
InChI%3D1S%2FC15H21ClN2O2%2Fc1-4-12-7-6-8-13%285-2%2915%2812%2918%2814%2820%299-16%2910-17-11%283%2919%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3%2C%28H%2C17%2C19%29,2.32999992370605,84.361099243164,0.00801024958491325,41.0,9.0,20.0,10.0,-0.0895000025629997,7.0,2.55999994277954
InChI%3D1S%2FC20H33NO%2Fc1-15%2812-21-13-16%282%2922-17%283%2914-21%2911-18-7-9-19%2810-8-18%2920%284%2C5%296%2Fh7-10%2C15-17H%2C11-14H2%2C1-6H3,4.89300012588501,98.17919921875,8.51880931854248,55.0,6.0,23.0,4.0,2.9186999797821,5.0,3.44000005722046
InChI%3D1S%2FC9H13ClN6%2Fc1-4-12-7-13-6%2810%2914-8%2815-7%2916-9%282%2C3%295-11%2Fh4H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29,0.544000029563904,60.3378982543945,1.40043556690216,33.0,4.0,16.0,6.0,1.18340003490448,3.0,1.67999994754791
InChI%3D1S%2FC8H19O2PS3%2Fc1-4-9-11%2812%2C10-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3,4.16699981689453,72.6323013305664,9.18393039703369,33.0,4.0,13.0,14.0,3.03049993515015,9.0,1.67999994754791
InChI%3D1S%2FC22H28N2O2%2Fc1-7-17-8-10-18%2811-9-17%2920%2825%2923-24%2822%284%2C5%296%2921%2826%2919-13-15%282%2912-16%283%2914-19%2Fh8-14H%2C7H2%2C1-6H3%2C%28H%2C23%2C25%29,4.5460000038147,111.549301147461,10.1359453201294,54.0,18.0,27.0,10.0,3.18370008468628,7.0,3.44000005722046
InChI%3D1S%2FC16H16N2O4%2Fc1-11-5-3-6-12%289-11%2918-16%2820%2922-14-8-4-7-13%2810-14%2917-15%2819%2921-2%2Fh3-10H%2C1-2H3%2C%28H%2C17%2C19%29%28H%2C18%2C20%29,2.20799994468689,89.5288009643555,8.72316265106201,38.0,20.0,23.0,5.0,2.95350003242493,5.0,2.55999994277954
InChI%3D1S%2FC18H34O6%2Fc1-2-3-4-5-6-7-8-9-10-11-16%2821%2923-13-15%2820%2918-17%2822%2914%2819%2912-24-18%2Fh14-15%2C17-20%2C22H%2C2-13H2%2C1H3,4.0939998626709,75.2729034423828,18.5795478820801,58.0,3.0,24.0,17.0,-4.31040000915527,14.0,2.77999997138977
InChI%3D1S%2FC11H20N3O3PS%2Fc1-6-14%287-2%2911-12-9%283%298-10%2813-11%2917-18%2819%2C15-4%2916-5%2Fh8H%2C6-7H2%2C1-5H3,2.46000003814697,79.1855010986328,1.90633249282837,39.0,12.0,19.0,7.0,1.38069999217987,7.0,1.78999996185303
InChI%3D1S%2FC18H19NO4%2Fc1-13-8-4-7-11-16%2813%2923-12-14-9-5-6-10-15%2814%2917%2819-22-3%2918%2820%2921-2%2Fh4-11H%2C12H2%2C1-3H3,2.63499999046326,95.3197021484375,4.52200222015381,42.0,12.0,24.0,8.0,2.12649989128113,7.0,2.89000010490417
InChI%3D1S%2FC10H17N2O4PS%2Fc1-5-8-11-9%2815-6-2%297-10%2812-8%2916-17%2818%2C13-3%2914-4%2Fh7H%2C5-6H2%2C1-4H3,2.20700001716614,72.6631011962891,1.61239206790924,35.0,12.0,18.0,7.0,1.26979994773865,7.0,1.67999994754791
InChI%3D1S%2FC9H20N2O2%2Fc1-4-8-13-9%2812%2910-6-5-7-11%282%293%2Fh4-8H2%2C1-3H3%2C%28H%2C10%2C12%29,1.29100000858307,49.7907981872559,0.00073441001586616,33.0,4.0,12.0,13.0,-0.0271000005304813,7.0,2.00999999046326
InChI%3D1S%2FC10H14N2O5%2Fc13-4-3-11-9-2-1-8%2812%2815%2916%297-10%289%2917-6-5-14%2Fh1-2%2C7%2C11%2C13-14H%2C3-6H2,0.526000022888184,16.86669921875,0.499707609415054,31.0,11.0,17.0,4.0,-0.706900000572205,7.0,1.78999996185303
InChI%3D1S%2FC7H5NS2%2Fc9-7-8-5-3-1-2-4-6%285%2910-7%2Fh1-4H%2C%28H%2C8%2C9%29,1.20200002193451,52.7841987609863,3.64580845832825,17.0,7.0,11.0,0.0,1.90939998626709,0.0,1.89999997615814
InChI%3D1S%2FC9H6Cl6O3S%2Fc10-5-6%2811%298%2813%294-2-18-19%2816%2917-1-3%284%297%285%2C12%299%288%2C14%2915%2Fh3-4H%2C1-2H2,0.83899998664856,76.9888000488281,4.69155597686768,25.0,4.0,21.0,0.0,2.16599988937378,0.0,1.35000002384186
InChI%3D1S%2FC17H18N4O6S%2Fc1-10-7-11%282%2919-16%2818-10%2920-17%2823%2921-28%2824%2C25%2914-6-4-3-5-13%2814%2915%2822%2927-12-8-26-9-12%2Fh3-7%2C12H%2C8-9H2%2C1-2H3%2C%28H2%2C18%2C19%2C20%2C21%2C23%29,-0.727999985218048,102.546501159668,0.242359295487404,46.0,22.0,30.0,7.0,-0.492300003767014,7.0,2.11999988555908
InChI%3D1S%2FC14H20N3O5PS%2Fc1-5-19-14%2818%2911-9-17-12%2815-10%2811%294%298-13%2816-17%2922-23%2824%2C20-6-2%2921-7-3%2Fh8-9H%2C5-7H2%2C1-4H3,2.65799999237061,91.6577987670898,0.6146559715271,52.0,5.0,25.0,9.0,0.783999979496002,9.0,1.89999997615814
InChI%3D1S%2FC7H14N2O2S%2Fc1-7%282%2C12-4%295-9-11-6%2810%298-3%2Fh5H%2C1-4H3%2C%28H%2C8%2C10%29,2.26799988746643,50.0533981323242,2.21414399147034,26.0,6.0,11.0,12.0,1.48800003528595,4.0,1.67999994754791
InChI%3D1S%2FC10H16N4O2S%2Fc1-10%282%2C3%297-11-12-8%2817-7%2914-6%2815%295-13%284%299%2814%2916%2Fh6%2C15H%2C5H2%2C1-4H3,0.728999972343445,53.0139007568359,1.70276403427124,34.0,9.0,18.0,3.0,1.30490005016327,2.0,1.78999996185303
InChI%3D1S%2FBrHO3%2Fc2-1%283%294%2Fh%28H%2C2%2C3%2C4%29%2Fp-1,0.0520000010728836,2.88579988479614,0.70677649974823,4.0,4.0,3.0,4.0,-0.840699970722198,0.0,1.01999998092651
InChI%3D1S%2FC14H21N3O4%2Fc1-6-9%282%2915-13-11%2816%2818%2919%297-10%2814%283%2C4%295%298-12%2813%2917%2820%2921%2Fh7-9%2C15H%2C6H2%2C1-5H3,6.89300012588501,46.3053016662598,0.650926232337952,42.0,13.0,21.0,5.0,0.80680000782013,6.0,2.23000001907349
InChI%3D1S%2FC6H11N2O4PS3%2Fc1-10-5-7-8%286%289%2916-5%294-15-13%2814%2C11-2%2912-3%2Fh4H2%2C1-3H3,1.46399998664856,70.3099975585938,5.2399787902832,29.0,4.0,16.0,8.0,2.28909993171692,6.0,1.01999998092651
InChI%3D1S%2FC8H11NO2%2Fc1-10-6-3-4-7%289%298%285-6%2911-2%2Fh3-5H%2C9H2%2C1-2H3,0.80400002002716,47.7925987243652,0.624890267848969,22.0,9.0,11.0,2.0,-0.790499985218048,2.0,2.00999999046326
InChI%3D1S%2FC3H8O3%2Fc4-1-3%286%292-5%2Fh3-6H%2C1-2H2,-1.87999999523163,20.5160999298096,1.98274564743042,14.0,0.0,5.0,6.0,-1.40810000896454,2.0,1.46000003814697
InChI%3D1S%2FC12H9Cl%2Fc13-12-8-4-7-11%289-12%2910-5-2-1-3-6-10%2Fh1-9H,3.44000005722046,64.1875991821289,7.75232648849487,22.0,12.0,14.0,0.0,2.78430008888245,1.0,2.67000007629395
InChI%3D1S%2FC5H10N2S2%2Fc1-6-3-7%282%295%288%299-4-6%2Fh3-4H2%2C1-2H3,-0.46000000834465,78.5476989746094,3.13183808326721,47.0,5.0,27.0,5.0,-1.769700050354,8.0,1.67999994754791
InChI%3D1S%2FC26H23F2NO4%2Fc1-17%282%2924%2818-11-13-21%2814-12-18%2932-26%2827%2928%2925%2830%2933-23%2816-29%2919-7-6-10-22%2815-19%2931-20-8-4-3-5-9-20%2Fh3-15%2C17%2C23-24%2C26H%2C1-2H3,7.9559998512268,42.6431999206543,0.690062463283539,56.0,13.0,35.0,10.0,0.830699980258942,10.0,3.54999995231628
InChI%3D1S%2FC19H21ClN2O%2Fc20-16-12-10-15%2811-13-16%2914-22%2818-8-4-5-9-18%2919%2823%2921-17-6-2-1-3-7-17%2Fh1-3%2C6-7%2C10-13%2C18H%2C4-5%2C8-9%2C14H2%2C%28H%2C21%2C23%29,3.66799998283386,95.4693984985352,1.60731685161591,44.0,10.0,25.0,5.0,1.26779997348785,5.0,3.10999989509583
InChI%3D1S%2FC23H22ClF3O2%2Fc1-14-16%2810-7-11-17%2814%2915-8-5-4-6-9-15%2913-29-21%2828%2920-18%2822%2820%2C2%293%2912-19%2824%2923%2825%2C26%2927%2Fh4-12%2C18%2C20H%2C13H2%2C1-3H3,6.42500019073486,116.032600402832,26.6266326904297,51.0,12.0,31.0,7.0,5.16009998321533,7.0,3.32999992370605
InChI%3D1S%2FC10H5Cl2NO2%2Fc11-6-3-5-1-2-7%2812%298%2810%2814%2915%299%285%2913-4-6%2Fh1-4H%2C%28H%2C14%2C15%29,1.35000002384186,62.3646011352539,2.23981165885925,20.0,13.0,16.0,3.0,1.49660003185272,1.0,2.00999999046326
InChI%3D1S%2FC8H8Cl3O3PS%2Fc1-12-15%2816%2C13-2%2914-8-4-6%2810%295%289%293-7%288%2911%2Fh3-4H%2C1-2H3,4.02799987792969,74.8251037597656,9.41078281402588,24.0,11.0,16.0,7.0,3.06769990921021,4.0,1.46000003814697
InChI%3D1S%2FC10H13Cl2FN2O2S2%2Fc1-8-4-6-9%287-5-8%2915%2818-10%2811%2C12%2913%2919%2816%2C17%2914%282%293%2Fh4-7H%2C1-3H3,3.20499992370605,83.4717025756836,12.6921186447144,32.0,11.0,19.0,12.0,3.56259989738464,5.0,1.57000005245209
InChI%3D1S%2FC12H10%2Fc1-3-7-11%288-4-1%2912-9-5-2-6-10-12%2Fh1-10H,3.91799998283386,59.4714012145996,5.83512353897095,22.0,12.0,13.0,0.0,2.41560006141663,1.0,2.77999997138977
InChI%3D1S%2FC12H6Cl4O2S%2Fc13-7-1-3-8%284-2-7%2919%2817%2C18%2912-6-10%2815%299%2814%295-11%2812%2916%2Fh1-6H,2.80200004577637,88.0734024047852,8.77818393707275,25.0,15.0,20.0,3.0,2.96280002593994,2.0,2.00999999046326
InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29,0.347000002861023,18.7336006164551,0.782163381576538,12.0,5.0,6.0,0.0,-0.884400010108948,0.0,1.24000000953674
InChI%3D1S%2FC20H23NO3%2Fc1-14-9-8-10-15%282%2919%2814%2921%2816%283%2920%2823%2924-4%2918%2822%2913-17-11-6-5-7-12-17%2Fh5-12%2C16H%2C13H2%2C1-4H3,2.67199993133545,101.783798217773,5.58187866210938,47.0,9.0,25.0,10.0,2.36260008811951,7.0,3.22000002861023
InChI%3D1S%2FC16H23N3OS%2Fc1-12%282%2919-14%2817-16%283%2C4%295%2921-11-18%2815%2819%2920%2913-9-7-6-8-10-13%2Fh6-10%2C12H%2C11H2%2C1-5H3,2.43300008773804,93.1490020751953,6.57358312606812,44.0,12.0,22.0,5.0,2.56389999389648,3.0,2.67000007629395
InChI%3D1S%2FC10H19ClNO5P%2Fc1-6-12%287-2%2910%2813%299%2811%298%283%2917-18%2814%2C15-4%2916-5%2Fh6-7H2%2C1-5H3,1.07700002193451,69.9196014404297,1.01143252849579,37.0,10.0,17.0,18.0,1.00569999217987,8.0,1.67999994754791
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,2.68199992179871,11.273699760437,0.301181435585022,19.0,12.0,13.0,2.0,0.548799991607666,2.0,1.57000005245209
InChI%3D1S%2FC12H9Cl2NO3%2Fc1-3-12%282%2910%2816%2915%2811%2817%2918-12%299-5-7%2813%294-8%2814%296-9%2Fh3-6H%2C1H2%2C2H3,2.18799996376038,71.6328964233398,5.51592206954956,27.0,12.0,19.0,2.0,2.34859991073608,2.0,2.11999988555908
InChI%3D1S%2FC10H10O4%2Fc1-13-9%2811%297-5-3-4-6-8%287%2910%2812%2914-2%2Fh3-6H%2C1-2H3,0.94599997997284,52.4924011230469,1.07039713859558,24.0,12.0,14.0,4.0,1.03460001945496,4.0,2.11999988555908
InChI%3D1S%2FC19H25NO4%2Fc1-11%282%299-14-15%2819%2814%2C3%294%2918%2823%2924-10-20-16%2821%2912-7-5-6-8-13%2812%2917%2820%2922%2Fh9%2C14-15H%2C5-8%2C10H2%2C1-4H3,3.19700002670288,87.4697036743164,0.953161716461182,49.0,7.0,26.0,4.0,0.97630000114441,5.0,3.0
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%2C1-2H3,3.64599990844727,73.9672012329102,0.0384944416582584,42.0,12.0,20.0,7.0,-0.196199998259544,10.0,2.77999997138977
InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3,3.44199991226196,44.0035018920898,3.17089247703552,21.0,6.0,9.0,3.0,1.78069996833801,1.0,2.45000004768372
InChI%3D1S%2FC14H17ClNO4PS2%2Fc1-3-19-21%2822%2C20-4-2%2923-12%289-15%2916-13%2817%2910-7-5-6-8-11%2810%2914%2816%2918%2Fh5-8%2C12H%2C3-4%2C9H2%2C1-2H3,3.19300007820129,99.8277969360352,10.2784357070923,40.0,11.0,24.0,12.0,3.20600008964539,8.0,2.00999999046326
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,3.61999988555908,56.1422996520996,7.20278263092041,13.0,7.0,12.0,0.0,2.68379998207092,0.0,1.46000003814697
InChI%3D1S%2FC19H23ClN2O2S%2Fc1-2-3-4-5-6-10-13-25-19%2823%2924-16-14-17%2820%2921-22-18%2816%2915-11-8-7-9-12-15%2Fh7-9%2C11-12%2C14H%2C2-6%2C10%2C13H2%2C1H3,7.46600008010864,95.372200012207,1.20450627803802,48.0,15.0,26.0,12.0,1.0974999666214,11.0,2.89000010490417
InChI%3D1S%2FC17H21NO2%2Fc1-4-18%285-2%2917%2819%2913%283%2920-16-12-8-10-14-9-6-7-11-15%2814%2916%2Fh6-13H%2C4-5H2%2C1-3H3,2.8840000629425,86.7435989379883,1.72055685520172,41.0,11.0,21.0,10.0,1.31169998645782,6.0,3.0
InChI%3D1S%2FC21H22ClNO4%2Fc1-25-19-8-5-16%2813-20%2819%2926-2%2918%2815-3-6-17%2822%297-4-15%2914-21%2824%2923-9-11-27-12-10-23%2Fh3-8%2C13-14H%2C9-12H2%2C1-2H3,1.99100005626678,114.407402038574,1.46434199810028,49.0,19.0,29.0,4.0,1.21010005474091,6.0,3.10999989509583
InChI%3D1S%2FC15H22ClNO2%2Fc1-5-13-8-6-7-11%282%2915%2813%2917%2814%2818%299-16%2912%283%2910-19-4%2Fh6-8%2C12H%2C5%2C9-10H2%2C1-4H3,2.08100008964539,82.6396026611328,1.91185927391052,41.0,9.0,19.0,10.0,1.38269996643066,7.0,2.67000007629395
InChI%3D1S%2FC4H7Br2Cl2O4P%2Fc1-10-13%289%2C11-2%2912-3%285%294%286%2C7%298%2Fh3H%2C1-2H3,2.26600003242493,58.2458992004395,8.26735019683838,20.0,5.0,12.0,13.0,2.87529993057251,5.0,0.910000026226044
InChI%3D1S%2FC22H18Cl2FNO3%2Fc1-22%282%2915%2811-19%2823%2924%2920%2822%2921%2827%2929-18%2812-26%2913-8-9-16%2825%2917%2810-13%2928-14-6-4-3-5-7-14%2Fh3-11%2C15%2C18%2C20H%2C1-2H3,4.00799989700317,118.564903259277,11.2004013061523,47.0,13.0,31.0,6.0,3.34669995307922,7.0,3.10999989509583
InChI%3D1S%2FC13H13Cl2N3O3%2Fc1-7%282%2916-12%2820%2917-6-11%2819%2918%2813%2817%2921%2910-4-8%2814%293-9%2815%295-10%2Fh3-5%2C7H%2C6H2%2C1-2H3%2C%28H%2C16%2C20%29,2.11100006103516,82.7414016723633,1.24970042705536,34.0,15.0,22.0,6.0,1.11790001392365,3.0,2.00999999046326
InChI%3D1S%2FC12H21N2O3PS%2Fc1-6-15-18%2819%2C16-7-2%2917-11-8-10%285%2913-12%2814-11%299%283%294%2Fh8-9H%2C6-7H2%2C1-5H3,3.07500004768372,81.5680999755859,4.06869220733643,40.0,11.0,19.0,9.0,2.0171000957489,7.0,2.00999999046326
InChI%3D1S%2FC10H15OPS2%2Fc1-3-11-12%2813%2C4-2%2914-10-8-6-5-7-9-10%2Fh5-9H%2C3-4H2%2C1-2H3,3.66199994087219,72.3348007202148,4.59888029098511,29.0,6.0,14.0,8.0,2.14450001716614,5.0,2.11999988555908
InChI%3D1S%2FC12H13NO2S%2Fc1-9-11%2816-8-7-15-9%2912%2814%2913-10-5-3-2-4-6-10%2Fh2-6H%2C7-8H2%2C1H3%2C%28H%2C13%2C14%29,3.7739999294281,42.0199012756348,0.153507232666016,29.0,12.0,17.0,3.0,0.391799986362457,2.0,2.33999991416931
InChI%3D1S%2FC19H22FN3O3%2Fc1-2-21-5-7-22%288-6-21%2917-10-16-13%289-15%2817%2920%2918%2824%2914%2819%2825%2926%2911-23%2816%2912-3-4-12%2Fh9-12H%2C2-8H2%2C1H3%2C%28H%2C25%2C26%29,1.85500001907349,96.1724014282227,0.360480159521103,50.0,10.0,29.0,2.0,-0.600399971008301,4.0,2.77999997138977
InChI%3D1S%2FC12H12N2%2Fc1-3-7-13-9-10-14-8-4-2-6-12%2814%2911%2813%295-1%2Fh1-8H%2C9-10H2,2.5699999332428,54.1688003540039,0.987638413906097,34.0,4.0,16.0,0.0,-0.993799984455109,0.0,2.55999994277954
InChI%3D1S%2FC17H16Br2O3%2Fc1-11%282%2922-16%2820%2917%2821%2C12-3-7-14%2818%298-4-12%2913-5-9-15%2819%2910-6-13%2Fh3-11%2C21H%2C1-2H3,2.63299989700317,100.894401550293,6.43586158752441,38.0,6.0,23.0,8.0,2.53690004348755,5.0,2.77999997138977
InChI%3D1S%2FC7H13O6P%2Fc1-6%285-7%288%2910-2%2913-14%289%2C11-3%2912-4%2Fh5H%2C1-4H3,0.0430000014603138,49.6941986083984,0.221746817231178,27.0,10.0,13.0,14.0,0.470899999141693,6.0,1.46000003814697
InChI%3D1S%2FC15H31N3O2%2Fc1-14%2819%2920-13-11-9-7-5-3-2-4-6-8-10-12-18-15%2816%2917%2Fh2-13H2%2C1H3%2C%28H4%2C16%2C17%2C18%29,4.69399976730347,61.4561996459961,11.6110563278198,51.0,4.0,19.0,20.0,-3.40750002861023,15.0,2.55999994277954
InChI%3D1S%2FC19H24O3%2Fc1-7-8-13-12%284%2916%2810-15%2813%2920%2922-18%2821%2917-14%289-11%282%293%2919%2817%2C5%296%2Fh1%2C9%2C14%2C16-17H%2C8%2C10H2%2C2-6H3,2.9449999332428,86.4591979980469,14.1676959991455,46.0,4.0,23.0,4.0,3.76399993896484,5.0,3.22000002861023
InChI%3D1S%2FC19H20F3NO4%2Fc1-3-4-11-25-18%2824%2913%282%2926-15-6-8-16%289-7-15%2927-17-10-5-14%2812-23-17%2919%2820%2C21%2922%2Fh5-10%2C12-13H%2C3-4%2C11H2%2C1-2H3,3.58299994468689,95.7761993408203,0.135497614741325,47.0,14.0,28.0,10.0,0.368099987506866,10.0,2.67000007629395
InChI%3D1S%2FC15H15ClN4O6S%2Fc1-3-26-13%2821%299-6-4-5-7-10%289%2927%2823%2C24%2920-15%2822%2919-14-17-11%2816%298-12%2818-14%2925-2%2Fh4-8H%2C3H2%2C1-2H3%2C%28H2%2C17%2C18%2C19%2C20%2C22%29,0.513000011444092,98.4304962158203,0.654480993747711,42.0,23.0,28.0,7.0,0.809000015258789,8.0,1.78999996185303
InChI%3D1S%2FC14H15N5O6S%2Fc1-8-15-12%2818-14%2816-8%2925-3%2917-13%2821%2919-26%2822%2C23%2910-7-5-4-6-9%2810%2911%2820%2924-2%2Fh4-7H%2C1-3H3%2C%28H2%2C15%2C16%2C17%2C18%2C19%2C21%29,0.580999970436096,91.4300994873047,0.0668739601969719,45.0,19.0,27.0,7.0,-0.258599996566772,6.0,1.67999994754791
InChI%3D1S%2FC12H14N2%2Fc13-8-9-14-12-7-3-5-10-4-1-2-6-11%2810%2912%2Fh1-7%2C14H%2C8-9%2C13H2,1.15299999713898,65.427001953125,0.125245213508606,28.0,11.0,15.0,4.0,0.353899985551834,3.0,2.55999994277954
InChI%3D1S%2FC19H14F3NO%2Fc1-23-11-16%2813-6-3-2-4-7-13%2918%2824%2917%2812-23%2914-8-5-9-15%2810-14%2919%2820%2C21%2922%2Fh2-12H%2C1H3,2.32299995422363,95.2941970825195,8.43089294433594,42.0,6.0,26.0,3.0,2.90359997749329,3.0,3.0
InChI%3D1S%2FC15H11ClF3NO4%2Fc1-2-23-14-8-10%284-5-12%2814%2920%2821%2922%2924-13-6-3-9%287-11%2813%2916%2915%2817%2C18%2919%2Fh3-8H%2C2H2%2C1H3,2.47099995613098,50.7649993896484,1.08201599121094,35.0,17.0,25.0,3.0,1.04019999504089,6.0,2.11999988555908
InChI%3D1S%2FC7H4Cl3NO3%2Fc8-3-1-4%289%297%2811-6%283%2910%2914-2-5%2812%2913%2Fh1H%2C2H2%2C%28H%2C12%2C13%29,1.47000002861023,53.8456993103027,2.58212757110596,18.0,7.0,14.0,5.0,1.60689997673035,3.0,1.46000003814697
InChI%3D1S%2FC6H8O6%2Fc7-1-2%288%295-3%289%294%2810%296%2811%2912-5%2Fh2%2C5%2C7-10H%2C1H2,-0.178000003099442,36.4584999084473,3.09513640403748,20.0,7.0,12.0,4.0,-1.75929999351501,2.0,1.46000003814697
InChI%3D1S%2FC7H7NO2%2Fc8-6-4-2-1-3-5%286%297%289%2910%2Fh1-4H%2C8H2%2C%28H%2C9%2C10%29,0.497000008821487,40.5047988891602,0.0523036904633045,17.0,10.0,10.0,2.0,-0.228699997067451,1.0,1.89999997615814
InChI%3D1S%2FC14H16F3N3O4%2Fc1-2-5-18%288-9-3-4-9%2913-11%2819%2821%2922%296-10%2814%2815%2C16%2917%297-12%2813%2920%2823%2924%2Fh6-7%2C9H%2C2-5%2C8H2%2C1H3,4.80200004577637,45.0452995300293,1.01949405670166,40.0,13.0,25.0,5.0,1.00969994068146,8.0,1.89999997615814
InChI%3D1S%2FC7H5Cl2FN2O3%2Fc8-3-5%2811%294%289%297%2812-6%283%2910%2915-1-2%2813%2914%2Fh1H2%2C%28H2%2C11%2C12%29%28H%2C13%2C14%29,0.727999985218048,52.4916000366211,0.0960380136966705,20.0,8.0,15.0,5.0,0.309899985790253,3.0,1.35000002384186
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,0.901000022888184,39.2218017578125,0.33108514547348,14.0,7.0,8.0,0.0,0.575399994850159,0.0,1.89999997615814
InChI%3D1S%2FC2I4%2Fc3-1%284%292%285%296,4.80999994277954,59.7634010314941,11.2600517272949,6.0,2.0,5.0,6.0,3.35560011863708,0.0,1.24000000953674
InChI%3D1S%2FC12H14O3%2Fc1-3-14-11%2813%2910-12%282%2C15-10%299-7-5-4-6-8-9%2Fh4-8%2C10H%2C3H2%2C1-2H3,1.34399998188019,58.9953002929688,1.72344386577606,29.0,6.0,16.0,5.0,1.3128000497818,4.0,2.45000004768372
InChI%3D1S%2FC22H24N2O8%2Fc1-21%2831%298-5-4-6-11%2825%2912%288%2916%2826%2913-9%2821%297-10-15%2824%282%293%2917%2827%2914%2820%2823%2930%2919%2829%2922%2810%2C32%2918%2813%2928%2Fh4-6%2C9-10%2C15%2C25-26%2C30-32H%2C7%2C23H2%2C1-3H3,0.987999975681305,87.268798828125,11.5294198989868,55.0,15.0,35.0,3.0,-3.39549994468689,1.0,2.77999997138977
InChI%3D1S%2FC2H7O3P%2Fc1-2-5-6%283%294%2Fh6H%2C2H2%2C1H3%2C%28H%2C3%2C4%29,-0.837999999523163,15.0614004135132,0.0602702498435974,13.0,4.0,5.0,6.0,0.24549999833107,2.0,1.24000000953674
InChI%3D1S%2FC9H19NOS%2Fc1-4-7-10%288-5-2%299%2811%2912-6-3%2Fh4-8H2%2C1-3H3,2.28800010681152,52.271598815918,0.141902893781662,31.0,3.0,11.0,12.0,0.376700013875961,7.0,2.11999988555908
InChI%3D1S%2FC13H16F3N3O4%2Fc1-7%282%2917%288%283%294%2912-10%2818%2820%2921%295-9%2813%2814%2C15%2916%296-11%2812%2919%2822%2923%2Fh5-8H%2C1-4H3,5.04899978637695,45.494800567627,1.2600063085556,39.0,13.0,23.0,7.0,1.12249994277954,6.0,1.78999996185303
InChI%3D1S%2FC14H9Cl5%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13H,4.05600023269653,93.4157028198242,23.1062870025635,28.0,6.0,20.0,5.0,4.80690002441406,3.0,2.45000004768372
InChI%3D1S%2FC10H12N2O3S%2Fc1-7%282%2912-10%2813%298-5-3-4-6-9%288%2911-16%2812%2C14%2915%2Fh3-7%2C11H%2C1-2H3,0.444000005722046,62.8418006896973,0.574715614318848,28.0,13.0,17.0,3.0,-0.758099973201752,1.0,1.89999997615814
InChI%3D1S%2FC23H26O3%2Fc1-16%282%2913-20-21%2823%2820%2C3%294%2922%2824%2925-15-17-9-8-12-19%2814-17%2926-18-10-6-5-7-11-18%2Fh5-14%2C20-21H%2C15H2%2C1-4H3,4.44899988174438,113.098602294922,13.5335693359375,52.0,13.0,28.0,4.0,3.67880010604858,7.0,3.66000008583069
InChI%3D1S%2FC9H9N3O2%2Fc1-14-9%2813%2912-8-10-6-4-2-3-5-7%286%2911-8%2Fh2-5H%2C1H3%2C%28H2%2C10%2C11%2C12%2C13%29,1.87199997901917,54.2915000915527,0.992016017436981,25.0,8.0,15.0,5.0,0.995999991893768,2.0,1.89999997615814
InChI%3D1S%2FC12H12ClN5O4S%2Fc1-7-14-10%2817-12%2815-7%2922-2%2916-11%2819%2918-23%2820%2C21%299-6-4-3-5-8%289%2913%2Fh3-6H%2C1-2H3%2C%28H2%2C14%2C15%2C16%2C17%2C18%2C19%29,1.09300005435944,85.3779983520508,0.0867302492260933,39.0,16.0,24.0,7.0,0.29449999332428,4.0,1.57000005245209
InChI%3D1S%2FC10H12O3%2Fc1-2-7-13-10%2812%298-3-5-9%2811%296-4-8%2Fh3-6%2C11H%2C2%2C7H2%2C1H3,1.37000000476837,51.1553993225098,0.107912249863148,25.0,10.0,13.0,6.0,0.328500002622604,4.0,2.23000001907349
InChI%3D1S%2FCCl3F%2Fc2-1%283%2C4%295,2.72699999809265,22.2140007019043,10.8754844665527,5.0,0.0,4.0,5.0,3.29780006408691,0.0,1.12999999523163
InChI%3D1S%2FC10H11F3N2O%2Fc1-15%282%299%2816%2914-8-5-3-4-7%286-8%2910%2811%2C12%2913%2Fh3-6H%2C1-2H3%2C%28H%2C14%2C16%29,2.04200005531311,57.8689002990723,3.95691657066345,27.0,10.0,16.0,6.0,1.98919999599457,3.0,1.89999997615814
InChI%3D1S%2FC8H19O2PS2%2Fc1-4-7-12-11%289%2C10-6-3%2913-8-5-2%2Fh4-8H2%2C1-3H3,2.62700009346008,60.9308013916016,0.846768021583557,32.0,3.0,12.0,13.0,0.920199990272522,8.0,1.78999996185303
InChI%3D1S%2FC12H6F2N2O2%2Fc13-12%2814%2917-10-3-1-2-8%2811%2810%2918-12%299-6-16-5-7%289%294-15%2Fh1-3%2C5-6%2C16H,0.736999988555908,62.2831001281738,1.51905620098114,28.0,8.0,20.0,2.0,1.23249995708466,1.0,2.11999988555908
InChI%3D1S%2FC4H10NO3PS%2Fc1-4%286%295-9%287%2C8-2%2910-3%2Fh1-3H3%2C%28H%2C5%2C6%2C7%29,0.314999997615814,41.1959991455078,0.0074304398149252,20.0,6.0,9.0,10.0,-0.0861999988555908,3.0,1.24000000953674
InChI%3D1S%2FC14H7ClF3NO5%2Fc15-10-5-7%2814%2816%2C17%2918%291-4-12%2810%2924-8-2-3-11%2819%2822%2923%299%286-8%2913%2820%2921%2Fh1-6H%2C%28H%2C20%2C21%29,-3.09400010108948,39.0512008666992,0.972590446472168,20.0,3.0,10.0,11.0,-0.986199975013733,5.0,1.35000002384186
InChI%3D1S%2FC12H11NO2%2Fc1-13-12%2814%2915-11-8-4-6-9-5-2-3-7-10%289%2911%2Fh2-8H%2C1H3%2C%28H%2C13%2C14%29,2.29200005531311,63.7247009277344,3.01439046859741,26.0,14.0,16.0,5.0,1.73619997501373,2.0,2.45000004768372
InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H,1.60399997234344,35.6720008850098,3.14033842086792,12.0,6.0,7.0,0.0,1.77209997177124,0.0,2.00999999046326
InChI%3D1S%2FC24H40O3%2Fc1-15%284-9-22%2826%2927%2919-7-8-20-18-6-5-16-14-17%2825%2910-12-23%2816%2C2%2921%2818%2911-13-24%2819%2C20%293%2Fh15-21%2C25H%2C4-14H2%2C1-3H3%2C%28H%2C26%2C27%29,8.26299953460693,102.640800476074,0.762129008769989,67.0,3.0,30.0,7.0,0.873000025749207,4.0,3.76999998092651
InChI%3D1S%2FC19H18ClN3O4%2Fc1-25-19%2824%2923%2826-2%2917-6-4-3-5-14%2817%2913-27-18-11-12-22%2821-18%2916-9-7-15%2820%298-10-16%2Fh3-12H%2C13H2%2C1-2H3,1.91199994087219,109.198997497559,1.84660923480988,49.0,11.0,29.0,7.0,1.35889995098114,8.0,2.67000007629395
InChI%3D1S%2FC4H8Cl3O4P%2Fc1-10-12%289%2C11-2%293%288%294%285%2C6%297%2Fh3%2C8H%2C1-2H3,0.52700001001358,47.5918006896973,1.5331392288208,20.0,4.0,11.0,12.0,1.23819994926453,4.0,1.01999998092651
InChI%3D1S%2FC14H18N4O3%2Fc1-3-4-9-15-13%2819%2918-11-8-6-5-7-10%2811%2916-12%2818%2917-14%2820%2921-2%2Fh5-8H%2C3-4%2C9H2%2C1-2H3%2C%28H%2C15%2C19%29%28H%2C16%2C17%2C20%29,3.83299994468689,78.2163009643555,0.365541160106659,41.0,11.0,22.0,7.0,0.604600012302399,6.0,2.23000001907349
InChI%3D1S%2FC12H13ClF3N3O4%2Fc1-2-4-17%285-3-13%2911-9%2818%2820%2921%296-8%2812%2814%2C15%2916%297-10%2811%2919%2822%2923%2Fh6-7H%2C2-5H2%2C1H3,4.8289999961853,43.6666984558105,2.4351601600647,36.0,13.0,23.0,7.0,1.56050002574921,8.0,1.57000005245209
InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3,1.5,47.3516006469727,2.38980674743652,23.0,7.0,10.0,0.0,1.54589998722076,0.0,2.33999991416931
InChI%3D1S%2FCCl2F2%2Fc2-1%283%2C4%295,2.58999991416931,17.5790004730225,9.06612110137939,5.0,0.0,4.0,5.0,3.01099991798401,0.0,1.12999999523163
InChI%3D1S%2FC17H12Cl2N2O%2Fc18-14-7-5-12%286-8-14%2917%2822%2C13-9-20-11-21-10-13%2915-3-1-2-4-16%2815%2919%2Fh1-11%2C22H,0.651000022888184,97.0450973510742,0.790854513645172,34.0,6.0,24.0,2.0,0.889299988746643,3.0,2.77999997138977
InChI%3D1S%2FC12H14ClNO2%2Fc1-12%282%298-16-14%2811%2812%2915%297-9-5-3-4-6-10%289%2913%2Fh3-6H%2C7-8H2%2C1-2H3,1.12199997901917,66.5615997314453,2.97562503814697,30.0,6.0,17.0,0.0,1.72500002384186,2.0,2.33999991416931
InChI%3D1S%2FC19H20FN3O3%2Fc1-21-7-12-4-11%2821%298-22%2812%2917-6-16-13%285-15%2817%2920%2918%2824%2914%2819%2825%2926%299-23%2816%2910-2-3-10%2Fh5-6%2C9-12H%2C2-4%2C7-8H2%2C1H3%2C%28H%2C25%2C26%29,1.65400004386902,92.1615982055664,1.5946638584137,48.0,10.0,30.0,2.0,-1.26279997825623,3.0,2.77999997138977
InChI%3D1S%2FC17H17N2%2Fc1-18-16%2814-9-5-3-6-10-14%2913-17%2819%2818%292%2915-11-7-4-8-12-15%2Fh3-13H%2C1-2H3,2.10599994659424,89.7050018310547,6.84973573684692,37.0,10.0,21.0,0.0,2.61719989776611,2.0,3.10999989509583
InChI%3D1S%2FC10H12O5%2Fc1-2-3-15-10%2814%296-4-7%2811%299%2813%298%2812%295-6%2Fh4-5%2C11-13H%2C2-3H2%2C1H3,2.06599998474121,54.3664016723633,0.636325299739838,27.0,12.0,15.0,6.0,-0.797699987888336,4.0,2.00999999046326
InChI%3D1S%2FC8H10NO5PS%2Fc1-12-15%2816%2C13-2%2914-8-5-3-7%284-6-8%299%2810%2911%2Fh3-6H%2C1-2H3,3.48000001907349,33.2788009643555,0.918530583381653,26.0,14.0,16.0,7.0,0.958400011062622,5.0,1.46000003814697
InChI%3D1S%2FC16H13ClF3NO4%2Fc1-9%2815%2822%2923-2%2924-11-3-5-12%286-4-11%2925-14-13%2817%297-10%288-21-14%2916%2818%2C19%2920%2Fh3-9H%2C1-2H3,2.96799993515015,90.2190017700195,5.23906326293945,38.0,14.0,26.0,7.0,2.28889989852905,7.0,2.23000001907349
InChI%3D1S%2FC10H6Cl4O4%2Fc1-17-9%2815%293-5%2811%297%2813%294%2810%2816%2918-2%298%2814%296%283%2912%2Fh1-2H3,2.83200001716614,71.3572006225586,6.29708814620972,24.0,12.0,18.0,4.0,2.50939989089966,4.0,1.67999994754791
InChI%3D1S%2FC8H11NO2%2Fc9-5-8%2811%296-1-3-7%2810%294-2-6%2Fh1-4%2C8%2C10-11H%2C5%2C9H2,-0.794000029563904,46.2379989624023,0.365178495645523,22.0,7.0,11.0,4.0,-0.604300022125244,2.0,2.00999999046326
InChI%3D1S%2FC15H14O2%2Fc1-2-6-12%287-3-1%2914-8-4-5-9-15%2814%2917-11-13-10-16-13%2Fh1-9%2C13H%2C10-11H2,2.52900004386902,74.8595962524414,2.66799545288086,31.0,13.0,19.0,2.0,1.63339996337891,4.0,2.89000010490417
InChI%3D1S%2FC7H8N2O2%2Fc1-5-2-3-6%289%2810%2911%294-7%285%298%2Fh2-4H%2C8H2%2C1H3,1.76499998569489,12.6099996566772,0.023870250210166,19.0,10.0,11.0,2.0,-0.154499992728233,1.0,1.78999996185303
InChI%3D1S%2FC12H15ClNO4PS2%2Fc1-3-16-19%2820%2C17-4-2%2921-8-14-10-6-5-9%2813%297-11%2810%2918-12%2814%2915%2Fh5-7H%2C3-4%2C8H2%2C1-2H3,3.35899996757507,92.7779998779297,8.20249557495117,36.0,10.0,22.0,10.0,2.86400008201599,7.0,1.78999996185303
InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5%2C9H%2C1H3,0.58899998664856,43.3296012878418,0.430204808712006,19.0,10.0,11.0,4.0,0.655900001525879,2.0,2.00999999046326
InChI%3D1S%2FC15H24NO4PS%2Fc1-6-18-21%2822%2C16-11%282%293%2920-14-10-8-7-9-13%2814%2915%2817%2919-12%284%295%2Fh7-12H%2C6H2%2C1-5H3%2C%28H%2C16%2C22%29,4.35500001907349,95.885597229004,1.91462564468384,46.0,14.0,22.0,10.0,1.38370001316071,9.0,2.33999991416931
InChI%3D1S%2FC11H18N4O2%2Fc1-7-8%282%2912-10%2814%283%294%2913-9%287%2917-11%2816%2915%285%296%2Fh1-6H3,0.416999995708466,65.9386978149414,0.43877375125885,35.0,11.0,17.0,6.0,0.662400007247925,4.0,2.00999999046326
InChI%3D1S%2FC24H46O6%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22%2827%2929-19-21%2826%2924-23%2828%2920%2825%2918-30-24%2Fh20-21%2C23-26%2C28H%2C2-19H2%2C1H3,7.50799989700317,92.7425003051758,36.4622764587402,76.0,3.0,30.0,23.0,-6.03840017318726,20.0,3.44000005722046
InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3,0.834999978542328,55.7243003845215,0.0070728100836277,18.0,8.0,10.0,2.0,0.0841000005602837,1.0,1.46000003814697
InChI%3D1S%2FC9H13BrN2O2%2Fc1-4-5%282%2912-8%2813%297%2810%296%283%2911-9%2812%2914%2Fh5H%2C4H2%2C1-3H3%2C%28H%2C11%2C14%29,1.00399994850159,56.019401550293,0.0901800915598869,31.0,3.0,14.0,4.0,-0.300300002098083,2.0,1.89999997615814
InChI%3D1S%2FC22H19Br4NO3%2Fc1-21%282%2917%2819%2823%2922%2824%2C25%2926%2918%2821%2920%2828%2930-16%2812-27%2913-7-6-10-15%2811-13%2929-14-8-4-3-5-9-14%2Fh3-11%2C16-19H%2C1-2H3,6.21500015258789,138.95979309082,27.2818183898926,49.0,13.0,32.0,6.0,5.22319984436035,8.0,3.0
InChI%3D1S%2FC9H10ClN5O2%2Fc10-8-2-1-7%285-12-8%296-14-4-3-11-9%2814%2913-15%2816%2917%2Fh1-2%2C5H%2C3-4%2C6H2%2C%28H%2C11%2C13%29,2.48499989509583,34.1375007629395,0.0295152403414249,27.0,7.0,18.0,4.0,-0.171800002455711,4.0,1.57000005245209
InChI%3D1S%2FC10HCl11%2Fc11-2-1-3%2812%295%2814%294%281%2C13%2910%2820%2C21%297%282%2C16%298%285%2C17%296%282%2C15%299%283%2C18%2919%2Fh1H,5.97900009155273,88.0130996704102,28.6899490356445,22.0,0.0,25.0,0.0,5.35629987716675,0.0,1.35000002384186
InChI%3D1S%2FC12H16N3O3PS%2Fc1-3-16-19%2820%2C17-4-2%2918-12-13-10-15%2814-12%2911-8-6-5-7-9-11%2Fh5-10H%2C3-4H2%2C1-2H3,2.69199991226196,86.383903503418,5.56346559524536,40.0,8.0,21.0,9.0,2.35870003700256,7.0,1.89999997615814
InChI%3D1S%2FC8Cl4N2%2Fc9-5-3%281-13%296%2810%298%2812%297%2811%294%285%292-14,2.40599989891052,59.7775993347168,6.53518104553223,14.0,10.0,14.0,2.0,2.55640006065369,0.0,1.67999994754791
InChI%3D1S%2FC9H18N2O2S%2Fc1-9%282%2C3%297%286-14-5%2911-13-8%2812%2910-4%2Fh6H2%2C1-5H3%2C%28H%2C10%2C12%29,2.37199997901917,59.0262985229492,4.73889350891113,32.0,6.0,13.0,14.0,2.17689990997314,5.0,1.89999997615814
InChI%3D1S%2FC16H15F2N3Si%2Fc1-22%2812-21-11-19-10-20-21%2C15-6-2-13%2817%293-7-15%2916-8-4-14%2818%295-9-16%2Fh2-11H%2C12H2%2C1H3,4.83199977874756,14.6127996444702,9.83073329925537,37.0,6.0,24.0,3.0,3.13540005683899,4.0,2.55999994277954
InChI%3D1S%2FC10H6Cl8%2Fc11-3-1-2-4%285%283%2912%299%2816%297%2814%296%2813%298%282%2C15%2910%289%2C17%2918%2Fh2-5H%2C1H2,4.35500001907349,78.1775970458984,17.9996547698975,24.0,2.0,20.0,0.0,4.24259996414185,0.0,1.67999994754791
InChI%3D1S%2FC9H4Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-4H,2.41400003433228,69.4048004150391,15.5511922836304,20.0,11.0,17.0,5.0,3.94350004196167,2.0,1.67999994754791
InChI%3D1S%2FC6H10O%2Fc7-6-4-2-1-3-5-6%2Fh1-5H2,0.9200000166893,23.17919921875,1.11978721618652,17.0,2.0,7.0,0.0,-1.05820000171661,0.0,2.00999999046326
InChI%3D1S%2FC17H12ClFN2O%2Fc18-16-4-2-1-3-15%2816%2917%2822%2C13-9-20-11-21-10-13%2912-5-7-14%2819%298-6-12%2Fh1-11%2C22H,0.189999997615814,92.4567031860352,0.185244157910347,34.0,6.0,24.0,2.0,0.430400013923645,3.0,2.77999997138977
InChI%3D1S%2FC15H16Cl3N3O2%2Fc1-2-4-20%2815%2822%2921-5-3-19-10-21%296-7-23-14-12%2817%298-11%2816%299-13%2814%2918%2Fh3%2C5%2C8-10H%2C2%2C4%2C6-7H2%2C1H3,3.51600003242493,95.2766036987305,0.00808200985193253,41.0,7.0,24.0,9.0,0.0899000018835068,8.0,2.23000001907349
InChI%3D1S%2FC22H17N3O5%2Fc1-27-13-17%2822%2826%2928-2%2916-8-4-6-10-19%2816%2930-21-11-20%2824-14-25-21%2929-18-9-5-3-7-15%2818%2912-23%2Fh3-11%2C13-14H%2C1-2H3,1.44400000572205,116.773002624512,0.757422089576721,47.0,28.0,32.0,8.0,0.870299994945526,8.0,3.0
InChI%3D1S%2FC15H17Cl2N3O%2Fc1-15%282%2C3%2914%2821%2913%2820-9-18-8-19-20%296-10-4-5-11%2816%297-12%2810%2917%2Fh4-9%2C14%2C21H%2C1-3H3,2.9449999332428,91.869499206543,4.81846380233765,42.0,10.0,22.0,8.0,2.19510006904602,4.0,2.45000004768372
InChI%3D1S%2FC6H3Cl3N2O2%2Fc7-1-3%2810%292%288%295%289%2911-4%281%296%2812%2913%2Fh%28H2%2C10%2C11%29%28H%2C12%2C13%29,-1.02900004386902,52.5013008117676,0.096100002527237,16.0,10.0,13.0,2.0,0.310000002384186,1.0,1.35000002384186
InChI%3D1S%2FC9H8Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-2%2C5-6H%2C3-4H2,2.26799988746643,68.1818008422852,10.4619903564453,24.0,5.0,17.0,5.0,3.23449993133545,2.0,1.67999994754791
InChI%3D1S%2FC21H28O2%2Fc1-13%282%2917-11-15%287-9-19%2817%2922%2921%285%2C6%2916-8-10-20%2823%2918%2812-16%2914%283%294%2Fh7-14%2C22-23H%2C1-6H3,5.3899998664856,102.402496337891,8.75094699859619,51.0,7.0,24.0,3.0,2.95819997787476,4.0,3.54999995231628
InChI%3D1S%2FC24H17N5O7%2Fc1-36-21-10-9-17%2829%2834%2935%2913-20%2821%2926-27-22-18-8-3-2-5-14%2818%2911-19%2823%2822%2930%2924%2831%2925-15-6-4-7-16%2812-15%2928%2832%2933%2Fh2-13%2C30H%2C1H3%2C%28H%2C25%2C31%29,8.08500003814697,24.1284008026123,0.471831619739532,53.0,35.0,39.0,3.0,-0.686900019645691,7.0,2.77999997138977
InChI%3D1S%2FC14H17Cl2N3O%2Fc1-2-3-6-14%2820%2C8-19-10-17-9-18-19%2912-5-4-11%2815%297-13%2812%2916%2Fh4-5%2C7%2C9-10%2C20H%2C2-3%2C6%2C8H2%2C1H3,2.53800010681152,82.8873977661133,0.0158508103340864,41.0,6.0,21.0,7.0,0.125900000333786,6.0,2.33999991416931
InChI%3D1S%2FC10H13ClO%2Fc1-10%282%2C3%297-4-5-9%2812%298%2811%296-7%2Fh4-6%2C12H%2C1-3H3,3.08400011062622,55.1842002868652,6.60284423828125,25.0,7.0,12.0,4.0,2.56960010528564,1.0,2.33999991416931
InChI%3D1S%2FC12H14O4%2Fc1-3-15-11%2813%299-7-5-6-8-10%289%2912%2814%2916-4-2%2Fh5-8H%2C3-4H2%2C1-2H3,1.79200005531311,61.0800018310547,2.35745310783386,30.0,12.0,16.0,5.0,1.53540003299713,6.0,2.33999991416931
InChI%3D1S%2FC8H5Cl3O3%2Fc9-4-1-6%2811%297%282-5%284%2910%2914-3-8%2812%2913%2Fh1-2H%2C3H2%2C%28H%2C12%2C13%29,2.16899991035461,57.8325004577637,2.15208911895752,19.0,7.0,14.0,5.0,1.46700000762939,3.0,1.67999994754791
InChI%3D1S%2FC5H13ClN%2Fc1-7%282%2C3%295-4-6%2Fh4-5H2%2C1-3H3,0.637000024318695,32.1301002502441,0.136530250310898,20.0,0.0,6.0,7.0,-0.369500011205673,2.0,1.78999996185303
InChI%3D1S%2FC9H9ClO3%2Fc1-6%289%2811%2912%2913-8-4-2-3-7%2810%295-8%2Fh2-6H%2C1H3%2C%28H%2C11%2C12%29,1.54100000858307,53.0596008300781,0.681615352630615,22.0,7.0,13.0,6.0,0.825600028038025,3.0,2.00999999046326
InChI%3D1S%2FC12H15NO3%2Fc1-12%282%297-8-5-4-6-9%2810%288%2916-12%2915-11%2814%2913-3%2Fh4-6H%2C7H2%2C1-3H3%2C%28H%2C13%2C14%29,2.06800007820129,63.7770004272461,1.71767234802246,31.0,11.0,17.0,5.0,1.31060004234314,2.0,2.33999991416931
InChI%3D1S%2FC16H17NO%2Fc1-17%282%2916%2818%2915%2813-9-5-3-6-10-13%2914-11-7-4-8-12-14%2Fh3-12%2C15H%2C1-2H3,2.65599989891052,81.9279022216797,3.38817644119263,35.0,6.0,19.0,6.0,1.84070003032684,4.0,3.0
InChI%3D1S%2FC9H13N%2Fc1-8%2810%297-9-5-3-2-4-6-9%2Fh2-6%2C8H%2C7%2C10H2%2C1H3,1.56599998474121,48.119800567627,0.271649450063705,23.0,6.0,10.0,4.0,0.521200001239777,2.0,2.33999991416931
InChI%3D1S%2FC31H42O2%2Fc1-24%2814-9-10-15-25%282%2918-12-19-28%285%2930%2832%2933-8%2916-11-17-26%283%2921-22-29-27%284%2920-13-23-31%2829%2C6%297%2Fh9-12%2C14-19%2C21-22H%2C13%2C20%2C23H2%2C1-8H3,9.92399978637695,151.312805175781,49.1232757568359,75.0,21.0,33.0,24.0,7.00880002975464,10.0,4.65000009536743
InChI%3D1S%2FC7H5NO3S%2Fc9-7-5-3-1-2-4-6%285%2912%2810%2C11%298-7%2Fh1-4H%2C%28H%2C8%2C9%29,-0.0860000029206276,45.9813995361328,0.153663992881775,17.0,12.0,13.0,0.0,-0.391999989748001,0.0,1.67999994754791
InChI%3D1S%2FC8H6Cl2O3%2Fc1-13-7-5%2810%293-2-4%289%296%287%298%2811%2912%2Fh2-3H%2C1H3%2C%28H%2C11%2C12%29,1.74300003051758,53.0308990478516,1.4563661813736,19.0,10.0,13.0,2.0,1.20679998397827,2.0,1.78999996185303
InChI%3D1S%2FC17H27NO3S%2Fc1-3-6-14%2818-21-4-2%2917-15%2819%299-13%2810-16%2817%2920%2912-7-5-8-22-11-12%2Fh12-13%2C18H%2C3-11H2%2C1-2H3,3.97699999809265,86.5752029418945,0.750475704669952,49.0,8.0,23.0,8.0,-0.866299986839294,6.0,2.77999997138977
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-4%288%296-5-3%2Fh1-2H%2C%28H%2C5%2C7%29%28H%2C6%2C8%29,0.88400000333786,27.1212005615234,0.00831743981689215,12.0,8.0,8.0,0.0,0.0912000015377998,0.0,1.46000003814697
InChI%3D1S%2FC14H19NO%2Fc1-5-16-11-6-7-13-12%288-11%2910%282%299-14%283%2C4%2915-13%2Fh6-9%2C15H%2C5H2%2C1-4H3,3.07800006866455,43.2781982421875,1.65508222579956,34.0,11.0,17.0,3.0,1.28649997711182,2.0,2.77999997138977
InChI%3D1S%2FC12H9ClF3N3O%2Fc1-17-9-6-18-19%2811%2820%2910%289%2913%298-4-2-3-7%285-8%2912%2814%2C15%2916%2Fh2-6%2C17H%2C1H3,1.35099995136261,72.2846984863281,1.06956958770752,33.0,10.0,21.0,3.0,1.03419995307922,3.0,1.89999997615814
InChI%3D1S%2FC15H17Cl2N3O2%2Fc1-2-3-12-7-21-15%2822-12%2C8-20-10-18-9-19-20%2913-5-4-11%2816%296-14%2813%2917%2Fh4-6%2C9-10%2C12H%2C2-3%2C7-8H2%2C1H3,1.83299994468689,87.2169036865234,0.0832322463393211,43.0,6.0,24.0,3.0,0.288500010967255,5.0,2.33999991416931
InChI%3D1S%2FC17H16Cl2O3%2Fc1-11%282%2922-16%2820%2917%2821%2C12-3-7-14%2818%298-4-12%2913-5-9-15%2819%2910-6-13%2Fh3-11%2C21H%2C1-2H3,2.28099989891052,95.258399963379,5.61168718338013,38.0,6.0,23.0,8.0,2.36890006065369,5.0,2.77999997138977
InChI%3D1S%2FC14H20ClNO2%2Fc1-4-11-7-6-8-12%285-2%2914%2811%2916%2810-18-3%2913%2817%299-15%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3,2.22199988365173,77.7130966186523,1.08284831047058,38.0,9.0,18.0,8.0,1.04059994220734,7.0,2.55999994277954
InChI%3D1S%2FC13H11Cl2NO2%2Fc1-12-6-13%2812%2C2%2911%2818%2916%2810%2812%2917%299-4-7%2814%293-8%2815%295-9%2Fh3-5H%2C6H2%2C1-2H3,1.30099999904633,72.9450988769531,3.74925780296326,29.0,11.0,20.0,0.0,1.93630003929138,1.0,2.33999991416931
InChI%3D1S%2FC10H5Cl7%2Fc11-4-2-1-3-5%284%299%2815%297%2813%296%2812%298%283%2C14%2910%289%2C16%2917%2Fh1-5H,3.54999995231628,75.8010025024414,16.2626686096191,22.0,2.0,19.0,0.0,4.0327000617981,0.0,1.78999996185303
InChI%3D1S%2FC9H8Cl2O3%2Fc1-5%289%2812%2913%2914-8-3-2-6%2810%294-7%288%2911%2Fh2-5H%2C1H3%2C%28H%2C12%2C13%29,2.11800003051758,57.7757987976074,1.42635250091553,22.0,7.0,14.0,6.0,1.19430005550385,3.0,1.89999997615814
InChI%3D1S%2FC2H6N4S2%2Fc3-1%287%295-6-2%284%298%2Fh%28H3%2C3%2C5%2C7%29%28H3%2C4%2C6%2C8%29,1.44000005722046,34.782600402832,1.22235131263733,14.0,6.0,7.0,8.0,1.1055999994278,3.0,1.01999998092651
InChI%3D1S%2FC48H81NO17%2Fc1-15-35-32%2823-60-45-42%2859-14%2941%2858-13%2938%2854%2928%285%2961-45%2920-25%282%2916-17-33%2851%2926%283%2921-31%2818-19-50%2939%2827%284%2934%2852%2922-36%2853%2962-35%2966-48%2810%2944%2856%2937%2849%2811%2912%2940%2829%286%2964-48%2965-47%289%2924-46%288%2C57%2943%2855%2930%287%2963-47%2Fh16-17%2C19-20%2C26-32%2C34-35%2C37-45%2C52%2C54-57H%2C15%2C18%2C21-24H2%2C1-14H3,1.62100005149841,239.149795532227,6.1370153427124,147.0,6.0,69.0,3.0,-2.47729992866516,13.0,4.76000022888184
InChI%3D1S%2FC13H17NO4%2Fc1-3-7-17-12%2815%2910-5-6-11%2814-9-10%2913%2816%2918-8-4-2%2Fh5-6%2C9H%2C3-4%2C7-8H2%2C1-2H3,1.22899997234344,64.8467025756836,1.39428865909576,35.0,12.0,18.0,6.0,-1.18079996109009,8.0,2.33999991416931
InChI%3D1S%2FC8H10N6%2Fc9-3-5-6%2810%2913-8%2814-7%285%2911%2912-4-1-2-4%2Fh4H%2C1-2H2%2C%28H5%2C10%2C11%2C12%2C13%2C14%29,-0.363000005483627,43.7458000183105,3.61380100250244,26.0,6.0,15.0,2.0,-1.90100002288818,1.0,1.67999994754791
InChI%3D1S%2FC42H71NO9%2Fc1-10-27-12-11-13-35%2852-38-17-16-34%2843%285%296%2925%284%2949-38%2924%283%2939%2845%2933-21-31-29%2832%2833%2922-37%2844%2951-27%2915-14-26-19-28%2820-30%2826%2931%2950-36-18-23%282%2940%2846-7%2942%2848-9%2941%2836%2947-8%2Fh23-36%2C38%2C40-42H%2C10-22H2%2C1-9H3,5.63000011444092,182.957992553711,6.62238740921021,123.0,3.0,57.0,2.0,-2.57340002059937,9.0,4.98000001907349
InChI%3D1S%2FC22H23NO3%2Fc1-21%282%2919%2822%2821%2C3%294%2920%2824%2926-18%2814-23%2915-9-8-12-17%2813-15%2925-16-10-6-5-7-11-16%2Fh5-13%2C18-19H%2C1-4H3,6.64499998092651,48.3031997680664,1.73211920261383,49.0,13.0,28.0,6.0,1.31610000133514,6.0,3.44000005722046
InChI%3D1S%2FC7H3Cl2N%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-3H,1.61099994182587,45.36669921875,3.92000389099121,13.0,8.0,10.0,2.0,1.97990000247955,0.0,1.89999997615814
InChI%3D1S%2FC12H8Cl6%2Fc13-8-9%2814%2911%2816%297-5-2-1-4%283-5%296%287%2910%288%2C15%2912%2811%2C17%2918%2Fh1-2%2C4-7H%2C3H2,4.1560001373291,78.0286026000977,9.36849689483643,26.0,2.0,21.0,0.0,3.06080007553101,0.0,2.11999988555908
InChI%3D1S%2FC10H6N2OS2%2Fc1-5-2-3-6-7%284-5%2912-9-8%2811-6%2914-10%2813%2915-9%2Fh2-4H%2C1H3,0.592999994754791,66.8199996948242,6.76884269714355,21.0,10.0,17.0,0.0,2.60170006752014,0.0,2.00999999046326
InChI%3D1S%2FCHBr2Cl%2Fc2-1%283%294%2Fh1H,2.75,26.9811992645264,4.09981489181519,5.0,0.0,3.0,3.0,2.02480006217957,0.0,1.24000000953674
InChI%3D1S%2FC8H14ClN5%2Fc1-4-10-7-12-6%289%2913-8%2814-7%2911-5%282%293%2Fh5H%2C4H2%2C1-3H3%2C%28H2%2C10%2C11%2C12%2C13%2C14%29,2.18400001525879,54.185001373291,0.434149205684662,30.0,7.0,14.0,4.0,0.658900022506714,2.0,1.67999994754791
InChI%3D1S%2FC16H15Cl3O2%2Fc1-20-13-7-3-11%284-8-13%2915%2816%2817%2C18%2919%2912-5-9-14%2821-2%2910-6-12%2Fh3-10%2C15H%2C1-2H3,3.38199996948242,97.2703018188477,9.43902683258057,36.0,7.0,22.0,5.0,3.07229995727539,5.0,2.67000007629395
InChI%3D1S%2FC12H8Cl6O%2Fc13-8-9%2814%2911%2816%295-3-1-2%286-7%283%2919-6%294%285%2910%288%2C15%2912%2811%2C17%2918%2Fh2-7H%2C1H2,3.00500011444092,76.1249008178711,5.46671152114868,27.0,2.0,23.0,0.0,2.33809995651245,0.0,2.00999999046326
InChI%3D1S%2FC5H13ClN%2Fc1-7%282%2C3%295-4-6%2Fh4-5H2%2C1-3H3%2Fq%2B1,0.637000024318695,32.1301002502441,0.136530250310898,20.0,0.0,6.0,7.0,-0.369500011205673,2.0,1.78999996185303
InChI%3D1S%2FC9H17NOS%2Fc1-2-12-9%2811%2910-7-5-3-4-6-8-10%2Fh2-8H2%2C1H3,1.94799995422363,46.2974014282227,0.0911436080932617,29.0,3.0,12.0,5.0,-0.301899999380112,3.0,2.11999988555908
InChI%3D1S%2FC18H24N2O4%2Fc1-6-18%283%2C7-2%2914-11-15%2824-20-14%2919-17%2821%2916-12%2822-4%299-8-10-13%2816%2923-5%2Fh8-11H%2C6-7H2%2C1-5H3%2C%28H%2C19%2C21%29,3.57299995422363,93.6939010620117,0.101697206497192,52.0,11.0,25.0,6.0,-0.318899989128113,8.0,2.77999997138977
InChI%3D1S%2FC17H26ClNO3S%2Fc1-4-14%2819-22-8-6-7-18%2917-15%2820%2910-13%2811-16%2817%2921%299-12%283%2923-5-2%2Fh6-7%2C12-13%2C19H%2C4-5%2C8-11H2%2C1-3H3,4.64900016784668,95.9421997070312,0.0500864386558533,49.0,8.0,23.0,9.0,0.223800003528595,9.0,2.67000007629395
InChI%3D1S%2FC19H26O4S%2Fc1-5-14-21-24%2820%2923-18-9-7-6-8-17%2818%2922-16-12-10-15%2811-13-16%2919%282%2C3%294%2Fh1%2C10-13%2C17-18H%2C6-9%2C14H2%2C2-4H3,2.72300004959106,92.5934982299805,1.51388418674469,50.0,7.0,25.0,7.0,1.23039996623993,7.0,3.0
InChI%3D1S%2FC14H16ClO5PS%2Fc1-4-17-21%2822%2C18-5-2%2920-10-6-7-11-9%283%2913%2815%2914%2816%2919-12%2811%298-10%2Fh6-8H%2C4-5H2%2C1-3H3,3.89599990844727,92.9802017211914,9.07093906402588,38.0,16.0,23.0,9.0,3.01180005073547,6.0,2.11999988555908
InChI%3D1S%2FC18H16ClNO5%2Fc1-3-22-17%2821%2911%282%2923-13-5-7-14%288-6-13%2924-18-20-15-9-4-12%2819%2910-16%2815%2925-18%2Fh4-11H%2C3H2%2C1-2H3,4.57600021362305,35.9766006469727,0.191668838262558,42.0,17.0,27.0,8.0,0.437799990177155,7.0,2.67000007629395
InChI%3D1S%2FC17H20N2S%2Fc1-13%2818%282%293%2912-19-14-8-4-6-10-16%2814%2920-17-11-7-5-9-15%2817%2919%2Fh4-11%2C13H%2C12H2%2C1-3H3,2.55100011825562,98.2141036987305,3.43620371818542,40.0,13.0,22.0,6.0,1.85370004177094,3.0,3.0
InChI%3D1S%2FC28H31N2O3%2Fc1-6-29-23-15-25-21%2813-17%2823%294%2927%2819-11-9-10-12-20%2819%2928%2831%2932-8-3%2922-14-18%285%2924%2830-7-2%2916-26%2822%2933-25%2Fh9-16%2C29-30H%2C6-8H2%2C1-5H3,3.85999989509583,141.991592407227,6.61261224746704,65.0,15.0,36.0,5.0,2.5715000629425,8.0,3.99000000953674
InChI%3D1S%2FC10H15O3PS2%2Fc1-8-7-9%285-6-10%288%2916-4%2913-14%2815%2C11-2%2912-3%2Fh5-7H%2C1-4H3,3.17499995231628,77.7763977050781,7.04424667358398,31.0,11.0,16.0,7.0,2.65409994125366,5.0,1.89999997615814
InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H,1.057000041008,7.91300010681152,0.120062246918678,11.0,7.0,7.0,2.0,-0.346500009298325,1.0,1.78999996185303
InChI%3D1S%2FC10H5Cl7O%2Fc11-3-1-2%284-5%283%2918-4%299%2815%297%2813%296%2812%298%281%2C14%2910%289%2C16%2917%2Fh1-5H,3.03200006484985,73.127197265625,9.23065948486328,23.0,2.0,21.0,0.0,3.03819990158081,0.0,1.67999994754791
InChI%3D1S%2FC9H14O%2Fc1-7-4-8%2810%296-9%282%2C3%295-7%2Fh4H%2C5-6H2%2C1-3H3,1.98199999332428,42.6464004516602,3.79821109771729,24.0,4.0,10.0,0.0,1.94889998435974,0.0,2.33999991416931
InChI%3D1S%2FC7H9NO%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5H%2C8H2%2C1H3,0.564000010490417,41.1491012573242,0.0852056071162224,18.0,8.0,9.0,2.0,-0.291900008916855,1.0,2.00999999046326
InChI%3D1S%2FC8H18NO4PS2%2Fc1-9-8%2810%294-5-15-6-7-16-14%2811%2C12-2%2913-3%2Fh4-7H2%2C1-3H3%2C%28H%2C9%2C10%29,0.861000001430511,69.2175979614258,1.01747572422028,34.0,4.0,15.0,16.0,1.00870001316071,9.0,1.46000003814697
InChI%3D1S%2FC39H42N3O6S2%2Fc1-5-41%2827-29-9-7-11-37%2825-29%2949%2843%2C44%2945%2935-21-15-32%2816-22-35%2939%2831-13-19-34%2820-14-31%2940%283%294%2933-17-23-36%2824-18-33%2942%286-2%2928-30-10-8-12-38%2826-30%2950%2846%2C47%2948%2Fh7-26H%2C5-6%2C27-28H2%2C1-4H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29,2.77600002288818,219.49870300293,15.1756992340088,93.0,20.0,54.0,4.0,3.89560008049011,13.0,4.53999996185303
InChI%3D1S%2FC5H12NO4P%2Fc1-11%289%2C10%293-2-4%286%295%287%298%2Fh4H%2C2-3%2C6H2%2C1H3%2C%28H%2C7%2C8%29%28H%2C9%2C10%29,-3.4210000038147,30.2665996551514,5.17744493484497,23.0,3.0,10.0,11.0,-2.27539992332458,4.0,1.35000002384186
InChI%3D1S%2FC12H8Cl6O%2Fc13-8-9%2814%293-1-4-5%282%283%297-6%281%2919-7%2911%289%2C16%2912%2817%2C18%2910%284%2C8%2915%2Fh1-8H,3.62100005149841,72.0134963989258,4.79391002655029,27.0,0.0,24.0,0.0,2.18950009346008,0.0,2.00999999046326
InChI%3D1S%2FC9H7NO%2Fc11-8-5-1-3-7-4-2-6-10-9%287%298%2Fh1-6%2C11H,0.582000017166138,48.4634017944336,0.275415033102036,18.0,11.0,12.0,0.0,0.524800002574921,0.0,2.23000001907349
InChI%3D1S%2FC20H32N2O3S%2Fc1-6-8-13-22%2814-9-7-2%2926-21%285%2919%2823%2924-17-12-10-11-16-15-20%283%2C4%2925-18%2816%2917%2Fh10-12H%2C6-9%2C13-15H2%2C1-5H3,4.70800018310547,106.582000732422,0.450643688440323,58.0,11.0,27.0,15.0,0.671299993991852,11.0,3.0
InChI%3D1S%2FC19H30O5%2Fc1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18%2823-15-24-19%2912-16%2817%296-4-2%2Fh12-13H%2C3-11%2C14-15H2%2C1-2H3,3.28099989891052,93.1712036132812,1.62766563892365,54.0,8.0,25.0,12.0,-1.27579998970032,13.0,3.0
InChI%3D1S%2FC19H26O3%2Fc1-7-8-13-12%284%2916%2810-15%2813%2920%2922-18%2821%2917-14%289-11%282%293%2919%2817%2C5%296%2Fh7%2C9%2C14%2C16-17H%2C1%2C8%2C10H2%2C2-6H3,3.71399998664856,88.9957962036133,12.756326675415,48.0,4.0,23.0,4.0,3.57159996032715,6.0,3.22000002861023
InChI%3D1S%2FC10H14Cl6N4O2%2Fc11-9%2812%2C13%297%2817-5-21%2919-1-2-20%284-3-19%298%2818-6-22%2910%2814%2C15%2916%2Fh5-8H%2C1-4H2%2C%28H%2C17%2C21%29%28H%2C18%2C22%29,3.22199988365173,92.5983963012695,5.3010458946228,36.0,3.0,22.0,8.0,2.3024001121521,6.0,1.24000000953674
InChI%3D1S%2FC14H24NO4PS3%2Fc1-12%282%2918-20%2821%2C19-13%283%294%2922-11-10-15-23%2816%2C17%2914-8-6-5-7-9-14%2Fh5-9%2C12-13%2C15H%2C10-11H2%2C1-4H3,3.31399989128113,106.682998657227,2.26893973350525,47.0,10.0,23.0,17.0,1.50629997253418,10.0,2.00999999046326
InChI%3D1S%2FC2H2Cl2%2Fc1-2%283%294%2Fh1H2,1.93299996852875,20.460599899292,2.84934401512146,6.0,2.0,3.0,4.0,1.68799996376038,0.0,1.46000003814697
InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918,6.35799980163574,92.3588027954102,34.2224998474121,22.0,0.0,26.0,0.0,5.84999990463257,0.0,1.24000000953674
InChI%3D1S%2FC12H27OPS3%2Fc1-4-7-10-15-14%2813%2C16-11-8-5-2%2917-12-9-6-3%2Fh4-12H2%2C1-3H3,5.35799980163574,79.6408996582031,0.00133956002537161,44.0,1.0,16.0,17.0,0.0366000011563301,12.0,2.23000001907349
InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3,0.955999970436096,26.3542995452881,0.743733763694763,15.0,5.0,6.0,7.0,0.862399995326996,3.0,1.78999996185303
InChI%3D1S%2FC2H6O2%2Fc3-1-2-4%2Fh3-4H%2C1-2H2,-1.20799994468689,14.5536003112793,0.805326759815216,10.0,0.0,3.0,4.0,-0.89740002155304,1.0,1.46000003814697
InChI%3D1S%2FC17H17N3O3%2Fc1-9%282%2917%283%2916%2823%2919-14%2820-17%2913-11%2815%2821%2922%298-10-6-4-5-7-12%2810%2918-13%2Fh4-9H%2C1-3H3%2C%28H%2C21%2C22%29%28H%2C19%2C20%2C23%29,1.49199998378754,87.6526031494141,0.00388129008933902,40.0,18.0,25.0,3.0,0.0623000003397465,3.0,2.67000007629395
InChI%3D1S%2FC12H20N4O2%2Fc1-14%282%2910-13-11%2817%2916%2812%2818%2915%2810%293%299-7-5-4-6-8-9%2Fh9H%2C4-8H2%2C1-3H3,0.925999999046326,58.717098236084,1.43041598796844,40.0,7.0,19.0,3.0,-1.19599997997284,2.0,2.11999988555908
InChI%3D1S%2FC15H17ClN4%2Fc1-2-3-8-15%289-17%2C10-20-12-18-11-19-20%2913-4-6-14%2816%297-5-13%2Fh4-7%2C11-12H%2C2-3%2C8%2C10H2%2C1H3,2.38000011444092,82.5363006591797,0.000670809997245669,41.0,6.0,21.0,8.0,-0.025900000706315,6.0,2.55999994277954
InChI%3D1S%2FC11H15NO3%2Fc1-8%282%2914-9-6-4-5-7-10%289%2915-11%2813%2912-3%2Fh4-8H%2C1-3H3%2C%28H%2C12%2C13%29,2.27300000190735,61.6697998046875,0.413577616214752,30.0,11.0,15.0,5.0,0.643100023269653,4.0,2.23000001907349
InChI%3D1S%2FC15H11ClO3%2Fc1-19-14%2817%2915%2818%2912-5-3-2-4-10%2812%2911-7-6-9%2816%298-13%2811%2915%2Fh2-8%2C18H%2C1H3,1.20799994468689,78.603401184082,2.75261282920837,30.0,12.0,21.0,4.0,1.65910005569458,2.0,2.67000007629395
InChI%3D1S%2FC2H3ClO2%2Fc3-1-2%284%295%2Fh1H2%2C%28H%2C4%2C5%29,0.157000005245209,17.396900177002,0.0916272923350334,8.0,3.0,4.0,5.0,0.302700012922287,1.0,1.35000002384186
InChI%3D1S%2FC14H6Cl2F4N2O2%2Fc15-5-4-8%2812%2820%2910%2816%2911%285%2919%2921-14%2824%2922-13%2823%299-6%2817%292-1-3-7%289%2918%2Fh1-4H%2C%28H2%2C21%2C22%2C23%2C24%29,2.23600006103516,86.7166976928711,5.0625,30.0,18.0,25.0,6.0,2.25,3.0,1.89999997615814
InChI%3D1S%2FC4H4O4%2Fc5-3%286%291-2-4%287%298%2Fh1-2H%2C%28H%2C5%2C6%29%28H%2C7%2C8%29,-0.416000008583069,24.6070003509521,0.0507150404155254,12.0,8.0,7.0,8.0,-0.225199997425079,2.0,1.46000003814697
InChI%3D1S%2FC22H14Cl2I2N2O2%2Fc1-11-6-15%2817%2810-27%2912-2-4-13%2823%295-3-12%2918%2824%299-20%2811%2928-22%2830%2916-7-14%2825%298-19%2826%2921%2816%2929%2Fh2-9%2C17%2C29H%2C1H3%2C%28H%2C28%2C30%29,4.46199989318848,145.755401611328,13.0863065719604,44.0,16.0,32.0,3.0,3.6175000667572,5.0,3.0
InChI%3D1S%2FC20H23N3O2%2Fc1-20%282%2C3%2918%2824%2919%2823-14-21-13-22-23%2925-17-11-9-16%2810-12-17%2915-7-5-4-6-8-15%2Fh4-14%2C18-19%2C24H%2C1-3H3,3.79299998283386,106.650802612305,4.73410558700562,52.0,13.0,27.0,8.0,2.17580008506775,6.0,3.10999989509583
InChI%3D1S%2FC27H20N4O9S2%2Fc32-14-15-13-22%2830-28-20-9-11-23%2841%2835%2C36%2937%2918-7-3-1-5-16%2818%2920%2927%2834%2925%2826%2815%2933%2931-29-21-10-12-24%2842%2838%2C39%2940%2919-8-4-2-6-17%2819%2921%2Fh1-13%2C32-34H%2C14H2%2C%28H%2C35%2C36%2C37%29%28H%2C38%2C39%2C40%29,1.88900005817413,156.334106445312,0.0553660914301872,62.0,40.0,46.0,3.0,-0.235300004482269,7.0,2.77999997138977
InChI%3D1S%2FC8H10O5%2Fc9-7%2810%295-3-1-2-4%2813-3%296%285%298%2811%2912%2Fh3-6H%2C1-2H2%2C%28H%2C9%2C10%29%28H%2C11%2C12%29,-0.790000021457672,35.9198989868164,2.55967998504639,23.0,3.0,14.0,3.0,-1.59990000724792,2.0,1.78999996185303
InChI%3D1S%2FC18H22N2O2%2Fc1-12%282%2919-10-13%2821%2911-22-17-9-5-8-16-18%2817%2914-6-3-4-7-15%2814%2920-16%2Fh3-9%2C12-13%2C19-21H%2C10-11H2%2C1-2H3,1.88100004196167,96.2557983398438,0.126025006175041,44.0,14.0,24.0,9.0,-0.354999989271164,6.0,3.0
InChI%3D1S%2FC17H19NO4%2Fc1-2-20-17%2819%2918-12-13-21-14-8-10-16%2811-9-14%2922-15-6-4-3-5-7-15%2Fh3-11H%2C2%2C12-13H2%2C1H3%2C%28H%2C18%2C19%29,2.7039999961853,92.1886978149414,3.16519689559937,41.0,14.0,23.0,9.0,1.77909994125366,8.0,2.77999997138977
InChI%3D1S%2FC16H20N2O3%2Fc1-9%282%2916%284%2915%2820%2917-13%2818-16%2912-8-10%283%296-7-11%2812%2914%2819%2921-5%2Fh6-9H%2C1-5H3%2C%28H%2C17%2C18%2C20%29,2.56900000572205,80.5294036865234,0.904401004314423,41.0,14.0,22.0,4.0,0.950999975204468,4.0,2.67000007629395
InChI%3D1S%2FC15H16F3N5O4S%2Fc1-9-19-12%2822-14%2820-9%2927-2%2921-13%2824%2923-28%2825%2C26%2911-6-4-3-5-10%2811%297-8-15%2816%2C17%2918%2Fh3-6H%2C7-8H2%2C1-2H3%2C%28H2%2C19%2C20%2C21%2C22%2C23%2C24%29,2.52099990844727,93.6532974243164,0.363247275352478,48.0,16.0,29.0,7.0,0.602699995040894,7.0,1.67999994754791
InChI%3D1S%2FC8H8Cl2O2%2Fc1-11-7-3-6%2810%298%2812-2%294-5%287%299%2Fh3-4H%2C1-2H3,2.45000004768372,53.6752014160156,1.30782091617584,20.0,8.0,12.0,2.0,1.14359998703003,2.0,1.89999997615814
InChI%3D1S%2FC11H9Cl2NO2%2Fc12-6-1-2-7-16-11%2815%2914-10-5-3-4-9%2813%298-10%2Fh3-5%2C8H%2C6-7H2%2C%28H%2C14%2C15%29,2.33800005912781,68.4308013916016,9.93762588500977,25.0,10.0,16.0,9.0,3.15240001678467,3.0,2.11999988555908
InChI%3D1S%2FC14H12Cl2N2O%2Fc1-19-18-14%287-10-3-2-6-17-9-10%2912-5-4-11%2815%298-13%2812%2916%2Fh2-6%2C8-9H%2C7H2%2C1H3,2.0239999294281,83.8023986816406,1.81063938140869,31.0,9.0,20.0,5.0,1.34560000896454,4.0,2.45000004768372
InChI%3D1S%2FC13H6Cl6O2%2Fc14-6-2-8%2816%2912%2820%294%2810%286%2918%291-5-11%2819%297%2815%293-9%2817%2913%285%2921%2Fh2-3%2C20-21H%2C1H2,4.57499980926514,95.5805969238281,15.6641807556152,27.0,7.0,22.0,0.0,3.95779991149902,2.0,2.00999999046326
InChI%3D1S%2FCHN%2Fc1-2%2Fh1H,-0.35699999332428,7.0145001411438,0.322056263685226,3.0,1.0,1.0,1.0,0.567499995231628,0.0,1.46000003814697
InChI%3D1S%2FC7H17O2PS3%2Fc1-4-8-10%2811%2C9-5-2%2913-7-12-6-3%2Fh4-7H2%2C1-3H3,3.80900001525879,67.4418029785156,9.07696342468262,30.0,4.0,12.0,13.0,3.01279997825623,8.0,1.57000005245209
InChI%3D1S%2FC13H14F3N3O4%2Fc1-4-17%287-8%282%293%2912-10%2818%2820%2921%295-9%2813%2814%2C15%2916%296-11%2812%2919%2822%2923%2Fh5-6H%2C2%2C4%2C7H2%2C1%2C3H3,4.17199993133545,44.2360992431641,6.43281745910645,37.0,13.0,23.0,7.0,2.53629994392395,7.0,1.78999996185303
InChI%3D1S%2FC2H8NO2PS%2Fc1-5-6%283%2C4%297-2%2Fh1-2H3%2C%28H2%2C3%2C4%29,-0.545000016689301,29.9951992034912,0.0144961597397923,15.0,4.0,6.0,7.0,0.120399996638298,2.0,1.12999999523163
InChI%3D1S%2FC6H10N6%2Fc7-4-10-5%288%2912-6%2811-4%299-3-1-2-3%2Fh3H%2C1-2H2%2C%28H5%2C7%2C8%2C9%2C10%2C11%2C12%29,2.08200001716614,35.2267990112305,0.375891596078873,22.0,9.0,13.0,0.0,-0.613099992275238,1.0,1.46000003814697
InChI%3D1S%2FC11H16ClO2PS3%2Fc1-3-13-15%2816%2C14-4-2%2918-9-17-11-7-5-10%2812%296-8-11%2Fh5-8H%2C3-4%2C9H2%2C1-2H3,4.23000001907349,92.4509963989258,15.8834133148193,34.0,6.0,18.0,11.0,3.98539996147156,8.0,1.89999997615814
InChI%3D1S%2FC14H4N2O2S2%2Fc15-5-9-10%286-16%2920-14-12%2818%298-4-2-1-3-7%288%2911%2817%2913%2814%2919-9%2Fh1-4H,1.3400000333786,54.2957992553711,0.000288999988697469,24.0,20.0,22.0,2.0,-0.017000000923872,0.0,2.33999991416931
InChI%3D1S%2FAsH3O4%2Fc2-1%283%2C4%295%2Fh%28H3%2C2%2C3%2C4%2C5%29%2Fp-3,-0.152999997138977,1.44289994239807,5.78691148757935,5.0,5.0,4.0,5.0,-2.40560007095337,0.0,0.910000026226044
InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H,0.94599997997284,32.5612983703613,0.706104099750519,13.0,7.0,7.0,0.0,0.840300023555756,0.0,2.00999999046326
InChI%3D1S%2FCBrN%2Fc2-1-3,0.602999985218048,15.3908004760742,0.532170236110687,3.0,2.0,2.0,3.0,0.729499995708466,0.0,1.35000002384186
InChI%3D1S%2FC18H13ClF3NO7%2Fc1-2-28-16%2824%299-29-17%2825%2912-8-11%284-5-14%2812%2923%2826%2927%2930-15-6-3-10%287-13%2815%2919%2918%2820%2C21%2922%2Fh3-8H%2C2%2C9H2%2C1H3,5.46500015258789,43.6910018920898,2.59338808059692,43.0,19.0,31.0,9.0,1.61039996147156,10.0,2.11999988555908
InChI%3D1S%2FC20H19NO3%2Fc1-16%2823-20-9-5-6-14-21-20%2915-22-17-10-12-19%2813-11-17%2924-18-7-3-2-4-8-18%2Fh2-14%2C16H%2C15H2%2C1H3,2.64100003242493,104.525802612305,0.981288373470306,43.0,14.0,26.0,5.0,0.990599989891052,7.0,3.22000002861023
InChI%3D1S%2FC19H20O4%2Fc1-2-3-13-22-18%2820%2916-11-7-8-12-17%2816%2919%2821%2923-14-15-9-5-4-6-10-15%2Fh4-12H%2C2-3%2C13-14H2%2C1H3,3.38800001144409,91.9810028076172,2.36021757125854,43.0,12.0,24.0,7.0,1.53629994392395,9.0,3.10999989509583
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,2.93799996376038,40.0862007141113,2.2943160533905,18.0,6.0,8.0,2.0,1.51470005512238,1.0,2.33999991416931
InChI%3D1S%2FC18H26O5%2Fc1-12-6-5-9-14%2819%298-4-2-3-7-13-10-15%2820%2911-16%2821%2917%2813%2918%2822%2923-12%2Fh10-12%2C14%2C19-21H%2C2-9H2%2C1H3,3.23600006103516,78.5240020751953,7.12089204788208,49.0,11.0,24.0,0.0,-2.66849994659424,0.0,2.89000010490417
InChI%3D1S%2FC19H23N3%2Fc1-14-6-8-18%2816%283%2910-14%2920-12-22%285%2913-21-19-9-7-15%282%2911-17%2819%294%2Fh6-13H%2C1-5H3,3.0550000667572,100.993698120117,10.3774175643921,45.0,17.0,23.0,6.0,3.22140002250671,4.0,3.22000002861023
InChI%3D1S%2FC15H14Cl2F3N3O3%2Fc1-3-26-13%2824%2910%2817%294-8-5-12%2811%2818%296-9%288%2916%2923-15%2825%2922%2814%2819%2920%297%282%2921-23%2Fh5-6%2C10%2C14H%2C3-4H2%2C1-2H3,3.07100009918213,91.394302368164,5.29046010971069,42.0,11.0,27.0,8.0,2.30010008811951,7.0,1.89999997615814
InChI%3D1S%2FC24H27N3O4%2Fc1-17-21%2822%2827%285%2926-17%2930-20-9-7-6-8-10-20%2915-25-29-16-18-11-13-19%2814-12-18%2923%2828%2931-24%282%2C3%294%2Fh6-15H%2C16H2%2C1-5H3,3.57399988174438,128.083099365234,5.12569618225098,62.0,9.0,33.0,7.0,2.26399993896484,9.0,3.32999992370605
InChI%3D1S%2FC11H13F3N2O3S%2Fc1-6-4-7%282%2910%285-9%286%2915-8%283%2917%2916-20%2818%2C19%2911%2812%2C13%2914%2Fh4-5%2C16H%2C1-3H3%2C%28H%2C15%2C17%29,1.62600004673004,70.0252990722656,6.93268918991089,33.0,13.0,20.0,8.0,2.63299989700317,4.0,1.67999994754791
InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3,0.763000011444092,27.1746006011963,0.0495062507688999,17.0,2.0,6.0,7.0,0.222499996423721,1.0,2.00999999046326
InChI%3D1S%2FC8H14N4OS%2Fc1-8%282%2C3%295-6%2813%2912%289%297%2814-4%2911-10-5%2Fh9H2%2C1-4H3,1.3860000371933,58.6533012390137,0.546564519405365,32.0,4.0,14.0,4.0,0.739300012588501,2.0,1.67999994754791
InChI%3D1S%2FC15H10O7%2Fc16-7-4-10%2819%2912-11%285-7%2922-15%2814%2821%2913%2812%2920%296-1-2-8%2817%299%2818%293-6%2Fh1-5%2C16-19%2C21H,0.0280000008642673,26.5088005065918,8.56674385070801,34.0,11.0,24.0,0.0,-2.92689990997314,1.0,2.33999991416931
InChI%3D1S%2FC8H7N3O5%2Fc1-4-6%288%289%2912%292-5%2810%2813%2914%293-7%284%2911%2815%2916%2Fh2-3H%2C1H3%2C%28H2%2C9%2C12%29,2.32500004768372,19.7500991821289,0.218275845050812,23.0,15.0,16.0,2.0,0.467200011014938,3.0,1.46000003814697
InChI%3D1S%2FC10H23O2PS2%2Fc1-6-9%284%2914-13%2811%2C12-8-3%2915-10%285%297-2%2Fh9-10H%2C6-8H2%2C1-5H3,3.22099995613098,70.0996017456055,0.807841420173645,38.0,3.0,14.0,15.0,0.898800015449524,8.0,2.00999999046326
InChI%3D1S%2FC16H12N2O4S%2Fc19-15-9-6-11-10-13%2823%2820%2C21%2922%297-8-14%2811%2916%2815%2918-17-12-4-2-1-3-5-12%2Fh1-10%2C19H%2C%28H%2C20%2C21%2C22%29,1.35500001907349,90.6166000366211,0.821198463439941,35.0,23.0,25.0,3.0,0.906199991703033,3.0,2.45000004768372
InChI%3D1S%2FC5H12NO3PS2%2Fc1-6-5%287%294-12-10%2811%2C8-2%299-3%2Fh4H2%2C1-3H3%2C%28H%2C6%2C7%29,1.48300004005432,55.2911987304688,1.09369766712189,24.0,4.0,11.0,12.0,1.04579997062683,5.0,1.24000000953674
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,0.122000001370907,26.6289005279541,0.123763240873814,12.0,3.0,6.0,0.0,0.351799994707108,0.0,1.46000003814697
InChI%3D1S%2FC10H15N5%2Fc11-9%2812%2915-10%2813%2914-7-6-8-4-2-1-3-5-8%2Fh1-5H%2C6-7H2%2C%28H6%2C11%2C12%2C13%2C14%2C15%29,1.66700005531311,58.7990989685059,1.09683728218079,30.0,7.0,15.0,9.0,1.04729998111725,6.0,2.00999999046326
InChI%3D1S%2FC22H42O4%2Fc1-5-9-13-19%287-3%2917-25-21%2823%2915-11-12-16-22%2824%2926-18-20%288-4%2914-10-6-2%2Fh19-20H%2C5-18H2%2C1-4H3,7.35599994659424,92.5029983520508,5.24043655395508,68.0,3.0,25.0,26.0,-2.28920006752014,19.0,3.44000005722046
InChI%3D1S%2FC6Cl5NO2%2Fc7-1-2%288%294%2810%296%2812%2813%2914%295%2811%293%281%299,3.16300010681152,30.9638004302979,13.5048904418945,14.0,9.0,14.0,3.0,3.67490005493164,1.0,1.24000000953674
InChI%3D1S%2FC15H13N3O2S%2Fc1-20-15%2819%2918-14-16-12-8-7-11%289-13%2812%2917-14%2921-10-5-3-2-4-6-10%2Fh2-9H%2C1H3%2C%28H2%2C16%2C17%2C18%2C19%29,2.98200011253357,91.6961975097656,4.39489316940308,36.0,8.0,23.0,5.0,2.09640002250671,4.0,2.45000004768372
InChI%3D1S%2FC10H7Cl5O%2Fc11-7-1-6%282-8%2812%293-7%299%285-16-9%294-10%2813%2C14%2915%2Fh1-3H%2C4-5H2,3.40700006484985,71.6529998779297,8.514723777771,23.0,6.0,17.0,5.0,2.91799998283386,3.0,1.89999997615814
InChI%3D1S%2FC13H22NO3PS%2Fc1-6-16-18%2815%2C14-10%282%293%2917-12-7-8-13%2819-5%2911%284%299-12%2Fh7-10H%2C6H2%2C1-5H3%2C%28H%2C14%2C15%29,2.33400011062622,84.7276992797852,1.99261450767517,41.0,11.0,19.0,10.0,1.41159999370575,7.0,2.23000001907349
InChI%3D1S%2FC26H22ClF3N2O3%2Fc1-16%282%2924%2832-22-12-11-18%2814-21%2822%2927%2926%2828%2C29%2930%2925%2833%2935-23%2815-31%2917-7-6-10-20%2813-17%2934-19-8-4-3-5-9-19%2Fh3-14%2C16%2C23-24%2C32H%2C1-2H3,4.08099985122681,137.883895874023,12.7677583694458,57.0,13.0,37.0,11.0,3.5731999874115,10.0,3.32999992370605
InChI%3D1S%2FC22H26O3%2Fc1-15%282%2910-19-20%2822%2819%2C3%294%2921%2823%2925-14-17-12-18%2824-13-17%2911-16-8-6-5-7-9-16%2Fh5-10%2C12-13%2C19-20H%2C11%2C14H2%2C1-4H3,4.75299978256226,103.717498779297,9.87279224395752,55.0,6.0,27.0,4.0,3.1421000957489,7.0,3.54999995231628
InChI%3D1S%2FC15H13N3O3S%2Fc1-21-15%2819%2918-14-16-12-8-7-11%289-13%2812%2917-14%2922%2820%2910-5-3-2-4-6-10%2Fh2-9H%2C1H3%2C%28H2%2C16%2C17%2C18%2C19%29,0.953000009059906,93.0679016113281,0.969437181949615,37.0,16.0,24.0,5.0,0.984600007534027,4.0,2.33999991416931
InChI%3D1S%2FC10H10ClNO2%2Fc1-7%2813%2912-9-4-2-8%283-5-9%2910%2814%296-11%2Fh2-5H%2C6H2%2C1H3%2C%28H%2C12%2C13%29,0.728999972343445,58.4878005981445,0.937023997306824,24.0,11.0,14.0,4.0,0.967999994754791,3.0,2.11999988555908
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%29,2.31599998474121,62.086799621582,3.32734084129333,24.0,10.0,14.0,6.0,1.82410001754761,2.0,1.89999997615814
InChI%3D1S%2FC14H15N3%2Fc1-10-9-13%2811-7-8-11%2917-14%2815-10%2916-12-5-3-2-4-6-12%2Fh2-6%2C9%2C11H%2C7-8H2%2C1H3%2C%28H%2C15%2C16%2C17%29,1.06400001049042,72.0883026123047,0.141300812363625,32.0,13.0,19.0,0.0,0.375900000333786,3.0,2.67000007629395
InChI%3D1S%2FC14H20ClNO2%2Fc1-4-12-8-6-7-11%283%2914%2812%2916%2810-18-5-2%2913%2817%299-15%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3,2.18099999427795,77.1585006713867,2.64420127868652,38.0,9.0,18.0,9.0,1.62609994411469,7.0,2.55999994277954
InChI%3D1S%2FC10H14N2O2%2Fc1-3-14-10-5-4-8%286-9%2810%2911%2912-7%282%2913%2Fh4-6H%2C3%2C11H2%2C1-2H3%2C%28H%2C12%2C13%29,0.867999970912933,58.6713981628418,0.31360000371933,28.0,11.0,14.0,4.0,-0.560000002384186,3.0,2.11999988555908
InChI%3D1S%2FC3H4Cl2O2%2Fc1-3%284%2C5%292%286%297%2Fh1H3%2C%28H%2C6%2C7%29,0.772000014781952,27.6229991912842,0.808021187782288,11.0,3.0,6.0,7.0,0.898899972438812,1.0,1.35000002384186
InChI%3D1S%2FC12H14Cl3O4P%2Fc1-3-17-20%2816%2C18-4-2%2919-12%288-13%2910-6-5-9%2814%297-11%2810%2915%2Fh5-8H%2C3-4H2%2C1-2H3,3.48799991607666,84.4343032836914,8.22198295593262,34.0,13.0,20.0,12.0,2.86739993095398,7.0,1.89999997615814
InChI%3D1S%2FC12H13N5O6S2%2Fc1-6-13-10%2816-12%2814-6%2923-3%2915-11%2819%2917-25%2820%2C21%297-4-5-24-8%287%299%2818%2922-2%2Fh4-5H%2C1-3H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%2C19%29,0.615000009536743,84.5046997070312,0.833386421203613,46.0,10.0,26.0,7.0,-0.912899971008301,6.0,1.35000002384186
InChI%3D1S%2FC14H18N2O5%2Fc1-21-14%2820%2911%287-9-5-3-2-4-6-9%2916-13%2819%2910%2815%298-12%2817%2918%2Fh2-6%2C10-11H%2C7-8%2C15H2%2C1H3%2C%28H%2C16%2C19%29%28H%2C17%2C18%29,-0.0930000022053719,77.7021026611328,0.004802490118891,39.0,6.0,21.0,15.0,-0.069300003349781,8.0,2.23000001907349
InChI%3D1S%2FC10H22O3%2Fc1-4-5-6-12-8-10%283%2913-7-9%282%2911%2Fh9-11H%2C4-8H2%2C1-3H3,1.39100003242493,50.2545013427734,1.57904350757599,35.0,0.0,12.0,13.0,-1.25660002231598,8.0,2.23000001907349
InChI%3D1S%2FC36H53NO13%2Fc1-21-13-11-9-7-6-8-10-12-14-24%2848-35%285%2931%2842%2929%2837%2930%2841%2922%282%2947-35%2919-34%284%2928%2832%2843%2944%2925%2839%2920-36%2845%2C50-34%2918-23%2838%2917-33%283%2926%2849-33%2915-16-27%2840%2946-21%2Fh6-12%2C14-16%2C21-26%2C28-31%2C38-39%2C41-42%2C45H%2C13%2C17-20%2C37H2%2C1-5H3%2C%28H%2C43%2C44%29,2.33299994468689,180.300003051758,2.79157257080078,103.0,8.0,53.0,2.0,-1.67079997062683,3.0,3.88000011444092
InChI%3D1S%2FC31H52O3%2Fc1-21%282%2913-10-14-22%283%2915-11-16-23%284%2917-12-19-31%289%2920-18-28-26%287%2929%2833-27%288%2932%2924%285%2925%286%2930%2828%2934-31%2Fh21-23H%2C10-20H2%2C1-9H3,10.8859996795654,138.708999633789,11.5600004196167,86.0,10.0,35.0,16.0,3.40000009536743,14.0,4.53999996185303
InChI%3D1S%2FC9H17ClN3O3PS%2Fc1-5-14-17%2818%2C15-6-2%2916-9-11-8%2810%2913%2812-9%297%283%294%2Fh7H%2C5-6H2%2C1-4H3,2.89400005340576,76.4418029785156,6.08510208129883,39.0,5.0,18.0,9.0,2.46679997444153,7.0,1.46000003814697
InChI%3D1S%2FC8H4O3%2Fc9-7-5-3-1-2-4-6%285%298%2810%2911-7%2Fh1-4H,0.574999988079071,39.7487983703613,0.636165738105774,15.0,11.0,12.0,0.0,0.797599971294403,0.0,2.00999999046326
InChI%3D1S%2FC9H5Cl3N4%2Fc10-5-3-1-2-4-6%285%2913-9-15-7%2811%2914-8%2812%2916-9%2Fh1-4H%2C%28H%2C13%2C14%2C15%2C16%29,1.7940000295639,68.2593994140625,6.10781812667847,25.0,10.0,17.0,0.0,2.47140002250671,1.0,1.67999994754791
InChI%3D1S%2FC15H18ClN3O%2Fc1-15%282%2C3%2914%2820%2913%2819-10-17-9-18-19%298-11-4-6-12%2816%297-5-11%2Fh4-10%2C14%2C20H%2C1-3H3,2.36800003051758,87.1532974243164,3.33573698997498,42.0,10.0,21.0,8.0,1.8264000415802,4.0,2.55999994277954
InChI%3D1S%2FC11H15NO2%2Fc1-7-5-8%282%299%283%2910%286-7%2914-11%2813%2912-4%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,2.32599997520447,58.3736991882324,6.40596103668213,29.0,10.0,14.0,5.0,2.53099989891052,2.0,2.33999991416931
InChI%3D1S%2FC25H22ClNO3%2Fc1-17%282%2924%2818-11-13-20%2826%2914-12-18%2925%2828%2930-23%2816-27%2919-7-6-10-22%2815-19%2929-21-8-4-3-5-9-21%2Fh3-15%2C17%2C23-24H%2C1-2H3,3.33999991416931,129.120407104492,11.2540121078491,52.0,13.0,32.0,10.0,3.35470008850098,8.0,3.66000008583069
InChI%3D1S%2FC2H6ClO3P%2Fc3-1-2-7%284%2C5%296%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,-0.551999986171722,24.5312995910645,0.254722088575363,13.0,4.0,6.0,7.0,-0.504700005054474,2.0,1.12999999523163
InChI%3D1S%2FC12H19O2PS3%2Fc1-4-10-18-15%2816%2C13-5-2%2914-11-6-8-12%2817-3%299-7-11%2Fh6-9H%2C4-5%2C10H2%2C1-3H3,4.86399984359741,92.0572967529297,7.23018312454224,37.0,10.0,18.0,10.0,2.68889999389648,8.0,2.11999988555908
InChI%3D1S%2FC3H8NO5P%2Fc5-3%286%291-4-2-10%287%2C8%299%2Fh4H%2C1-2H2%2C%28H%2C5%2C6%29%28H2%2C7%2C8%2C9%29,-2.67899990081787,30.781099319458,1.8722448348999,18.0,4.0,9.0,10.0,-1.36829996109009,4.0,1.01999998092651
InChI%3D1S%2FC10H14O2%2Fc1-10%282%2C3%298-6-7%2811%294-5-9%288%2912%2Fh4-6%2C11-12H%2C1-3H3,2.21499991416931,52.0735015869141,2.68238878250122,26.0,8.0,12.0,4.0,1.63779997825623,1.0,2.33999991416931
InChI%3D1S%2FC6H7N3O2%2Fc7-4-1-2-5%288%296%283-4%299%2810%2911%2Fh1-3H%2C7-8H2,1.48099994659424,11.3299999237061,2.391352891922,18.0,11.0,11.0,2.0,-1.54639995098114,1.0,1.57000005245209
InChI%3D1S%2FC12H8Cl2O3S%2Fc13-9-1-5-11%286-2-9%2917-18%2815%2C16%2912-7-3-10%2814%294-8-12%2Fh1-8H,1.17200005054474,79.9912033081055,5.09766101837158,26.0,16.0,19.0,4.0,2.25780010223389,3.0,2.11999988555908
InChI%3D1S%2F3C6H5.Sn.H%2Fc3%2A1-2-4-6-5-3-1%3B%3B%2Fh3%2A1-5H%3B%3B,12.1859998703003,,,43.0,6.0,18.0,0.0,,0.0,3.32999992370605
InChI%3D1S%2FC18H26O2%2Fc1-13%282%2918-10-9-17%284%2C20-18%2916%2811-18%2919-12-15-8-6-5-7-14%2815%293%2Fh5-8%2C13%2C16H%2C9-12H2%2C1-4H3,3.56800007820129,83.3276977539062,6.33327579498291,46.0,6.0,22.0,2.0,2.51659989356995,4.0,3.22000002861023
InChI%3D1S%2FC6H12N2S4%2Fc1-7%282%295%289%2911-12-6%2810%298%283%294%2Fh1-4H3,1.54799997806549,69.2407989501953,9.95907402038574,24.0,3.0,11.0,12.0,3.15580010414124,5.0,1.46000003814697
InChI%3D1S%2FC12H18N2O2%2Fc1-8-6-10%2816-12%2815%2913-3%297-9%282%2911%288%2914%284%295%2Fh6-7H%2C1-5H3%2C%28H%2C13%2C15%29,2.0460000038147,67.7108001708984,3.44325137138367,34.0,11.0,16.0,5.0,1.8555999994278,3.0,2.33999991416931
InChI%3D1S%2FC7H6N2O4%2Fc8-6-3-4%289%2812%2913%291-2-5%286%297%2810%2911%2Fh1-3H%2C8H2%2C%28H%2C10%2C11%29,1.31900000572205,14.3271999359131,1.07391774654388,19.0,13.0,13.0,2.0,-1.03629994392395,2.0,1.57000005245209
InChI%3D1S%2FC14H14Cl2N2O%2Fc1-2-7-19-14%289-18-6-5-17-10-18%2912-4-3-11%2815%298-13%2812%2916%2Fh2-6%2C8%2C10%2C14H%2C1%2C7%2C9H2,1.74500000476837,83.6129989624023,4.38023042678833,37.0,6.0,20.0,6.0,2.0929000377655,6.0,2.45000004768372
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,1.54900002479553,14.7774000167847,1.00400400161743,6.0,2.0,2.0,3.0,1.00199997425079,0.0,1.57000005245209
InChI%3D1S%2FC10H7NO2%2Fc12-11%2813%2910-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7H,4.55900001525879,2.88579988479614,0.00217155995778739,20.0,13.0,14.0,3.0,-0.0465999990701675,1.0,2.23000001907349
InChI%3D1S%2FC9H8N4OS%2Fc14-9%2812-8-6-10-13-15-8%2911-7-4-2-1-3-5-7%2Fh1-6H%2C%28H2%2C11%2C12%2C14%29,3.0,18.7709999084473,0.266359210014343,24.0,14.0,16.0,4.0,0.516099989414215,3.0,1.78999996185303
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,4.27799987792969,59.2529983520508,13.0725631713867,12.0,6.0,12.0,0.0,3.61560010910034,0.0,1.46000003814697
InChI%3D1S%2FC15H12F4N4O7S%2Fc1-28-11%2824%297-4-2-3-5-8%287%2931%2826%2C27%2923-15%2825%2922-14-20-9%2829-12%2816%2917%296-10%2821-14%2930-13%2818%2919%2Fh2-6%2C12-13H%2C1H3%2C%28H2%2C20%2C21%2C22%2C23%2C25%29,0.97000002861023,95.3277969360352,2.77222490310669,43.0,24.0,32.0,7.0,1.66499996185303,10.0,1.35000002384186
InChI%3D1S%2FC23H19ClF3NO3%2Fc1-22%282%2917%2812-19%2824%2923%2825%2C26%2927%2920%2822%2921%2829%2931-18%2813-28%2914-7-6-10-16%2811-14%2930-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,4.05800008773804,119.27449798584,15.3914985656738,50.0,13.0,33.0,7.0,3.92319989204407,8.0,3.10999989509583
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,1.97000002861023,40.3881988525391,4.58302450180054,12.0,6.0,8.0,0.0,2.14079999923706,0.0,1.89999997615814
InChI%3D1S%2FC9H7Cl3O3%2Fc1-4%289%2813%2914%2915-8-3-6%2811%295%2810%292-7%288%2912%2Fh2-4H%2C1H3%2C%28H%2C13%2C14%29,2.6949999332428,62.492000579834,2.44296908378601,22.0,7.0,15.0,6.0,1.56299996376038,3.0,1.78999996185303
InChI%3D1S%2FC19H17ClN2O4%2Fc1-3-24-19%2823%2912%282%2925-14-5-7-15%288-6-14%2926-18-11-21-17-10-13%2820%294-9-16%2817%2922-18%2Fh4-12H%2C3H2%2C1-2H3,2.60599994659424,106.148002624512,3.9338755607605,43.0,18.0,28.0,8.0,1.98339998722076,7.0,2.77999997138977
InChI%3D1S%2FC6H13N%2Fc7-6-4-2-1-3-5-6%2Fh6H%2C1-5%2C7H2,1.26199996471405,22.17799949646,5.01894426345825,20.0,0.0,7.0,0.0,-2.24029994010925,0.0,2.00999999046326
InChI%3D1S%2FC7H10N2O4S%2Fc1-5-4-6%288%292-3-7%285%299-13-14%2810%2C11%2912%2Fh2-4%2C9H%2C8H2%2C1H3%2C%28H%2C10%2C11%2C12%29,-1.09800004959106,53.6848983764648,0.52301824092865,24.0,13.0,14.0,6.0,-0.723200023174286,3.0,1.46000003814697
InChI%3D1S%2FC10H10O4%2Fc1-13-9%2811%297-3-5-8%286-4-7%2910%2812%2914-2%2Fh3-6H%2C1-2H3,0.523999989032745,52.4924011230469,1.07039713859558,24.0,12.0,14.0,4.0,1.03460001945496,4.0,2.11999988555908
InChI%3D1S%2FC15H10ClF3N2O6S%2Fc1-28%2825%2C26%2920-14%2822%2910-7-9%283-4-12%2810%2921%2823%2924%2927-13-5-2-8%286-11%2813%2916%2915%2817%2C18%2919%2Fh2-7H%2C1H3%2C%28H%2C20%2C22%29,4.98600006103516,39.1697998046875,0.349281013011932,38.0,22.0,29.0,7.0,0.591000020503998,6.0,1.67999994754791
InChI%3D1S%2FC25H28O3%2Fc1-4-27-22-15-13-21%2814-16-22%2925%282%2C3%2919-26-18-20-9-8-12-24%2817-20%2928-23-10-6-5-7-11-23%2Fh5-17H%2C4%2C18-19H2%2C1-3H3,3.38899993896484,126.307197570801,10.9322805404663,56.0,13.0,30.0,6.0,3.30640006065369,9.0,3.88000011444092
InChI%3D1S%2FC6H4Cl2N2O2%2Fc7-4-1-3%2810%2811%2912%292-5%288%296%284%299%2Fh1-2H%2C9H2,1.84500002861023,18.3390998840332,0.479002416133881,16.0,10.0,12.0,2.0,0.692099988460541,1.0,1.46000003814697
InChI%3D1S%2FC16H18N4O7S%2Fc1-25-12-8-13%2826-2%2918-15%2817-12%2919-16%2822%2920-28%2823%2C24%299-10-6-4-5-7-11%2810%2914%2821%2927-3%2Fh4-8H%2C9H2%2C1-3H3%2C%28H2%2C17%2C18%2C19%2C20%2C22%29,-0.254999995231628,99.480598449707,0.080655999481678,46.0,15.0,29.0,8.0,0.284000009298325,9.0,1.89999997615814
InChI%3D1S%2FCClN%2Fc2-1-3,0.426999986171722,12.7918996810913,0.38502025604248,3.0,2.0,2.0,3.0,0.620500028133392,0.0,1.35000002384186
InChI%3D1S%2FC15H12F2N3Si%2Fc16-12-1-5-14%286-2-12%2921%2811-20-10-18-9-19-20%2915-7-3-13%2817%294-8-15%2Fh1-10H%2C11H2,2.89199995994568,36.8516998291016,2.66864895820618,34.0,12.0,23.0,2.0,1.63359999656677,3.0,2.45000004768372
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,2.93700003623962,39.8829002380371,3.66837406158447,16.0,8.0,8.0,2.0,1.91530001163483,1.0,2.33999991416931
InChI%3D1S%2FC16H22ClNO3%2Fc1-4-12-8-7-9-13%285-2%2916%2812%2918%2814%2819%2910-17%2911-15%2820%2921-6-3%2Fh7-9H%2C4-6%2C10-11H2%2C1-3H3,2.40100002288818,87.0075988769531,1.3149209022522,43.0,9.0,21.0,11.0,1.1467000246048,9.0,2.67000007629395
InChI%3D1S%2FC12H15N3O2S%2Fc1-3-6-18-8-4-5-9-10%287-8%2914-11%2813-9%2915-12%2816%2917-2%2Fh4-5%2C7H%2C3%2C6H2%2C1-2H3%2C%28H2%2C13%2C14%2C15%2C16%29,3.28500008583069,74.9352035522461,0.836676061153412,35.0,8.0,19.0,5.0,0.914699971675873,5.0,2.11999988555908
InChI%3D1S%2FC9H10Cl2N2O2%2Fc1-13%2815-2%299%2814%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C1-2H3%2C%28H%2C12%2C14%29,1.4210000038147,63.7058982849121,2.78889989852905,25.0,11.0,15.0,7.0,1.66999995708466,3.0,1.78999996185303
InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3,3.21099996566772,44.9238014221191,0.430729687213898,31.0,0.0,11.0,3.0,0.656300008296967,1.0,2.45000004768372
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%2C1-2H3,4.17500019073486,79.4259033203125,13.7522306442261,29.0,11.0,18.0,9.0,3.70840001106262,6.0,1.46000003814697
InChI%3D1S%2FC17H16F3NO2%2Fc1-11%282%2923-13-7-5-6-12%2810-13%2921-16%2822%2914-8-3-4-9-15%2814%2917%2818%2C19%2920%2Fh3-11H%2C1-2H3%2C%28H%2C21%2C22%29,3.55100011825562,89.8522033691406,5.93701934814453,39.0,16.0,24.0,4.0,2.43659996986389,5.0,2.67000007629395
InChI%3D1S%2FC14H9ClF2N2O2%2Fc15-8-4-6-9%287-5-8%2918-14%2821%2919-13%2820%2912-10%2816%292-1-3-11%2812%2917%2Fh1-7H%2C%28H2%2C18%2C19%2C20%2C21%29,1.90699994564056,80.7099990844727,2.27557229995728,30.0,18.0,22.0,6.0,1.50849997997284,4.0,2.23000001907349
InChI%3D1S%2FC10H19N5S%2Fc1-6-11-7-12-8%2815-10%282%2C3%294%2914-9%2813-7%2916-5%2Fh6H2%2C1-5H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29,1.98599994182587,67.3699035644531,3.92634224891663,39.0,4.0,16.0,5.0,1.9815000295639,4.0,1.89999997615814
InChI%3D1S%2FC15H21NO4%2Fc1-10-7-6-8-11%282%2914%2810%2916%2813%2817%299-19-4%2912%283%2915%2818%2920-5%2Fh6-8%2C12H%2C9H2%2C1-5H3,0.82099997997284,79.3767013549805,0.750648975372314,41.0,9.0,20.0,12.0,0.866400003433228,7.0,2.55999994277954
InChI%3D1S%2FC11H15N3O2%2Fc1-12-11%2815%2916-10-6-4-5-9%287-10%2913-8-14%282%293%2Fh4-8H%2C1-3H3%2C%28H%2C12%2C15%29,1.4099999666214,66.2997970581055,0.163296803832054,31.0,13.0,16.0,5.0,0.404100000858307,4.0,2.11999988555908
InChI%3D1S%2FC12H19ClNO3P%2Fc1-12%282%2C3%299-6-7-11%2810%2813%298-9%2917-18%2815%2C14-4%2916-5%2Fh6-8H%2C1-5H3%2C%28H%2C14%2C15%29,2.49900007247925,76.4582977294922,5.05395364761353,37.0,11.0,18.0,7.0,2.24810004234314,5.0,2.11999988555908
InChI%3D1S%2FC19H17ClN4%2Fc20-18-8-6-16%287-9-18%2910-11-19%2812-21%2C13-24-15-22-14-23-24%2917-4-2-1-3-5-17%2Fh1-9%2C14-15H%2C10-11%2C13H2,2.70199990272522,105.415496826172,3.12936091423035,45.0,6.0,26.0,6.0,1.76900005340576,6.0,3.0
InChI%3D1S%2FC15H11ClF3NO4%2Fc1-8%2814%2821%2922%2923-10-2-4-11%285-3-10%2924-13-12%2816%296-9%287-20-13%2915%2817%2C18%2919%2Fh2-8H%2C1H3%2C%28H%2C21%2C22%29,2.6470000743866,85.4498977661133,4.15303659439087,35.0,14.0,25.0,6.0,2.0378999710083,6.0,2.11999988555908
InChI%3D1S%2FC9H9Cl2NO%2Fc1-2-9%2813%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C2H2%2C1H3%2C%28H%2C12%2C13%29,2.10400009155273,58.6402015686035,2.88490223884583,22.0,9.0,13.0,5.0,1.6985000371933,2.0,2.00999999046326
InChI%3D1S%2FC20H19F3N2O4%2Fc1-13%2814-8-6-9-16%2811-14%2920%2821%2C22%2923%2924-29-12-15-7-4-5-10-17%2815%2918%2825-28-3%2919%2826%2927-2%2Fh4-11H%2C12H2%2C1-3H3,3.72699999809265,107.731903076172,7.49719142913818,48.0,12.0,30.0,8.0,2.73810005187988,9.0,2.67000007629395
InChI%3D1S%2FC11H19N3O%2Fc1-4-6-7-9-8%283%2913-11%2812-5-2%2914-10%289%2915%2Fh4-7H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%29,2.58200001716614,55.0186004638672,1.54604351520538,38.0,4.0,15.0,4.0,-1.24339997768402,4.0,2.23000001907349
InChI%3D1S%2FC9H22O4P2S4%2Fc1-5-10-14%2816%2C11-6-2%2918-9-19-15%2817%2C12-7-3%2913-8-4%2Fh5-9H2%2C1-4H3,4.97800016403198,95.0817031860352,17.085823059082,41.0,4.0,18.0,19.0,4.13350009918213,12.0,1.35000002384186
InChI%3D1S%2FC10H16Cl3NOS%2Fc1-6%282%2914%287%283%294%2910%2815%2916-5-8%2811%299%2812%2913%2Fh6-7H%2C5H2%2C1-4H3,3.82399988174438,75.6871032714844,5.79461193084717,32.0,3.0,15.0,16.0,2.40720009803772,6.0,1.89999997615814
InChI%3D1S%2FC14H8Cl2N4%2Fc15-11-7-3-1-5-9%2811%2913-17-19-14%2820-18-13%2910-6-2-4-8-12%2810%2916%2Fh1-8H,4.48199987411499,86.3010025024414,4.83911991119385,28.0,18.0,22.0,0.0,2.19980001449585,2.0,2.33999991416931
InChI%3D1S%2FC12H18N4O6S%2Fc1-7%282%2914%288%283%294%2912-10%2815%2817%2918%295-9%2823%2813%2C21%2922%296-11%2812%2916%2819%2920%2Fh5-8H%2C1-4H3%2C%28H2%2C13%2C21%2C22%29,2.01900005340576,50.2018013000488,0.83192640542984,41.0,17.0,23.0,7.0,-0.91210001707077,6.0,1.57000005245209
InChI%3D1S%2FC21H20Cl2O3%2Fc1-21%282%2917%2812-18%2822%2923%2919%2821%2920%2824%2925-13-14-7-6-10-16%2811-14%2926-15-8-4-3-5-9-15%2Fh3-12%2C17%2C19H%2C13H2%2C1-2H3,4.53399991989136,113.627899169922,12.7513265609741,46.0,13.0,28.0,4.0,3.57089996337891,7.0,3.22000002861023
InChI%3D1S%2FC16H22ClN3O%2Fc1-15%282%2C3%2916%2821%2C10-20-12-18-11-19-20%299-8-13-4-6-14%2817%297-5-13%2Fh4-7%2C11-12%2C21H%2C8-10H2%2C1-3H3,2.48300004005432,90.4414978027344,3.61190032958984,47.0,6.0,22.0,9.0,1.90050005912781,6.0,2.67000007629395
InChI%3D1S%2FC12H11Cl2N3O2%2Fc13-9-1-2-10%2811%2814%295-9%2912%2818-3-4-19-12%296-17-8-15-7-16-17%2Fh1-2%2C5%2C7-8H%2C3-4%2C6H2,0.446000009775162,76.8093032836914,0.765975058078766,34.0,6.0,21.0,0.0,0.875199973583221,3.0,2.00999999046326
InChI%3D1S%2FC9H12NO5PS%2Fc1-7-6-8%284-5-9%287%2910%2811%2912%2915-16%2817%2C13-2%2914-3%2Fh4-6H%2C1-3H3,3.59200000762939,38.7808990478516,2.56128025054932,29.0,14.0,17.0,7.0,1.6003999710083,5.0,1.57000005245209
InChI%3D1S%2FC11H21NOS%2Fc1-3-12%2811%2813%2914-4-2%2910-8-6-5-7-9-10%2Fh10H%2C3-9H2%2C1-2H3,2.97699999809265,53.1730003356934,0.0965966433286667,35.0,3.0,14.0,8.0,-0.310799986124039,5.0,2.33999991416931
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,2.41199994087219,24.172700881958,3.31604099273682,5.0,0.0,3.0,3.0,1.82099997997284,0.0,1.24000000953674
InChI%3D1S%2FC6H3Cl4N%2Fc7-5-3-1-2-4%2811-5%296%288%2C9%2910%2Fh1-3H,2.19600009918213,53.1637001037598,6.71120834350586,14.0,6.0,11.0,3.0,2.59060001373291,1.0,1.57000005245209
InChI%3D1S%2FC10H18N4O4S3%2Fc1-7%2819-5%2911-17-9%2815%2913%283%2921-14%284%2910%2816%2918-12-8%282%2920-6%2Fh1-6H3,2.70099997520447,86.9989013671875,4.41924476623535,39.0,6.0,20.0,21.0,2.10220003128052,10.0,1.35000002384186
InChI%3D1S%2FC8H8O3%2Fc1-11-8%2810%296-4-2-3-5-7%286%299%2Fh2-5%2C9H%2C1H3,1.22899997234344,43.3296012878418,0.430204808712006,19.0,10.0,11.0,4.0,0.655900001525879,2.0,2.00999999046326
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,2.07399988174438,21.364200592041,2.6153359413147,5.0,0.0,3.0,3.0,1.6172000169754,0.0,1.24000000953674
InChI%3D1S%2FC12H14N4O2S%2Fc1-8-7-9%282%2915-12%2814-8%2916-19%2817%2C18%2911-5-3-10%2813%294-6-11%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29,-0.734000027179718,78.3058013916016,1.02333450317383,33.0,17.0,20.0,4.0,-1.01160001754761,3.0,2.00999999046326
InChI%3D1S%2FC15H16F5NO2S2%2Fc1-6%282%295-7-8%2813%2822%2924-3%2910%2812%2816%2917%2921-11%2815%2818%2C19%2920%299%287%2914%2823%2925-4%2Fh6%2C12H%2C5H2%2C1-4H3,4.32100009918213,90.7730026245117,12.4693737030029,41.0,10.0,25.0,4.0,3.53119993209839,8.0,2.00999999046326
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,3.83400011062622,54.0810012817383,17.3339004516602,18.0,0.0,12.0,0.0,4.16340017318726,0.0,1.46000003814697
InChI%3D1S%2FC17H21ClN2O2S%2Fc1-11-15%2812-7-9-13%2818%2910-8-12%2923-17%2822%2920%2811%2916%2821%2919-14-5-3-2-4-6-14%2Fh7-11%2C14-15H%2C2-6H2%2C1H3%2C%28H%2C19%2C21%29,3.50999999046326,88.7225036621094,0.698060274124146,44.0,6.0,25.0,3.0,0.835500001907349,3.0,2.67000007629395
InChI%3D1S%2FC7H10N4O3%2Fc1-3-9-7%2813%2910-6%2812%295%284-8%2911-14-2%2Fh3H2%2C1-2H3%2C%28H2%2C9%2C10%2C12%2C13%29,-0.00499999988824129,46.6750984191895,0.0813390389084816,24.0,11.0,13.0,14.0,-0.285199999809265,4.0,1.46000003814697
InChI%3D1S%2FC15H16O2%2Fc1-15%282%2C11-3-7-13%2816%298-4-11%2912-5-9-14%2817%2910-6-12%2Fh3-10%2C16-17H%2C1-2H3,3.09200000762939,76.3070983886719,4.85585308074951,33.0,7.0,18.0,3.0,2.20359992980957,2.0,2.89000010490417
InChI%3D1S%2FC9H16ClN5%2Fc1-5%282%2911-8-13-7%2810%2914-9%2815-8%2912-6%283%294%2Fh5-6H%2C1-4H3%2C%28H2%2C11%2C12%2C13%2C14%2C15%29,2.71000003814697,59.4832000732422,0.221370249986649,33.0,7.0,15.0,4.0,0.470499992370605,2.0,1.78999996185303
InChI%3D1S%2FC22H19Br2NO3%2Fc1-22%282%2917%2812-19%2823%2924%2920%2822%2921%2826%2928-18%2813-25%2914-7-6-10-16%2811-14%2927-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,4.24399995803833,123.634902954102,13.3582935333252,47.0,13.0,30.0,6.0,3.65490007400513,7.0,3.22000002861023
InChI%3D1S%2FC13H17F3N4O4%2Fc1-3-5-18%286-4-2%2911-9%2819%2821%2922%297-8%2813%2814%2C15%2916%2910%2817%2912%2811%2920%2823%2924%2Fh7H%2C3-6%2C17H2%2C1-2H3,4.6729998588562,46.3712997436523,0.0331239998340607,41.0,14.0,24.0,7.0,-0.181999996304512,8.0,1.67999994754791
InChI%3D1S%2FC11H12NO4PS2%2Fc1-15-17%2818%2C16-2%2919-7-12-10%2813%298-5-3-4-6-9%288%2911%2812%2914%2Fh3-6H%2C7H2%2C1-2H3,1.54499995708466,81.9688034057617,3.32187080383301,31.0,11.0,20.0,8.0,1.82260000705719,5.0,1.78999996185303
InChI%3D1S%2FC6H7NO%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4%2C8H%2C7H2,0.243000000715256,36.1110992431641,0.127020955085754,15.0,8.0,8.0,0.0,-0.356400012969971,0.0,1.89999997615814
InChI%3D1S%2FC11H10ClNO3S%2Fc1-2-16-9%2814%296-13-10-7%2812%294-3-5-8%2810%2917-11%2813%2915%2Fh3-5H%2C2%2C6H2%2C1H3,1.14199995994568,70.4076995849609,1.99515628814697,27.0,9.0,18.0,6.0,1.41250002384186,4.0,2.00999999046326
InChI%3D1S%2FC14H18N2O4%2Fc1-10-5-4-6-11%282%2913%2810%2916%2812%2817%299-19-3%2915-7-8-20-14%2815%2918%2Fh4-6H%2C7-9H2%2C1-3H3,0.0769999995827675,76.3840026855469,0.810360014438629,38.0,13.0,21.0,6.0,0.900200009346008,5.0,2.33999991416931
InChI%3D1S%2FC14H17Cl2NO2%2Fc1-14%287-3-2-4-8-14%2913%2819%2917-9-5-6-10%2818%2912%2816%2911%289%2915%2Fh5-6%2C18H%2C2-4%2C7-8H2%2C1H3%2C%28H%2C17%2C19%29,3.8840000629425,76.3860015869141,0.339073300361633,36.0,10.0,20.0,3.0,0.582300007343292,2.0,2.45000004768372
InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%295-7%286%292%2Fh3-5%2C9H%2C1-2H3,1.73000001907349,41.125301361084,3.00363564491272,19.0,7.0,9.0,0.0,1.73310005664825,0.0,2.23000001907349
InChI%3D1S%2FC13H11N3%2Fc14-10-3-1-8-5-9-2-4-11%2815%297-13%289%2916-12%288%296-10%2Fh1-7H%2C14-15H2,-0.0230000000447035,72.4266967773438,0.405641615390778,27.0,16.0,18.0,0.0,-0.636900007724762,0.0,2.55999994277954
InChI%3D1S%2FC9H11BrN2O2%2Fc1-12%2814-2%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29,0.83899998664856,60.7728004455566,0.692390382289886,25.0,11.0,14.0,7.0,0.832099974155426,4.0,1.89999997615814
InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3,1.24000000953674,38.7957992553711,0.00504099996760488,26.0,3.0,12.0,4.0,-0.0710000023245811,2.0,1.89999997615814
InChI%3D1S%2FC7H16N%2Fc1-8%282%296-4-3-5-7-8%2Fh3-7H2%2C1-2H3,0.736000001430511,29.5526008605957,4.32681608200073,24.0,0.0,8.0,0.0,-2.08010005950928,0.0,2.11999988555908
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,2.57599997520447,30.7637996673584,5.75616073608398,8.0,0.0,5.0,6.0,2.39919996261597,1.0,1.24000000953674
InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,1.63300001621246,40.3573989868164,0.946145296096802,20.0,6.0,9.0,10.0,0.972699999809265,3.0,1.46000003814697
InChI%3D1S%2FC14H18ClN3O2%2Fc1-14%282%2C3%2912%2819%2913%2818-9-16-8-17-18%2920-11-6-4-10%2815%295-7-11%2Fh4-9%2C12-13%2C19H%2C1-3H3,2.32299995422363,82.8514022827148,2.34794330596924,42.0,7.0,21.0,8.0,1.53229999542236,5.0,2.33999991416931
InChI%3D1S%2FC22H19Cl2NO3%2Fc1-22%282%2917%2812-19%2823%2924%2920%2822%2921%2826%2928-18%2813-25%2914-7-6-10-16%2811-14%2927-15-8-4-3-5-9-15%2Fh3-12%2C17-18%2C20H%2C1-2H3,3.89199995994568,118.437103271484,11.8122816085815,47.0,13.0,30.0,6.0,3.4368999004364,7.0,3.22000002861023
InChI%3D1S%2FC10H12N3O3PS2%2Fc1-15-17%2818%2C16-2%2919-7-13-10%2814%298-5-3-4-6-9%288%2911-12-13%2Fh3-6H%2C7H2%2C1-2H3,2.2590000629425,84.1751022338867,0.72948682308197,33.0,11.0,20.0,8.0,0.854099988937378,5.0,1.57000005245209
InChI%3D1S%2FC11H23NOS%2Fc1-6-14-11%2813%2912%287-9%282%293%298-10%284%295%2Fh9-10H%2C6-8H2%2C1-5H3,2.88199996948242,63.1865997314453,3.98361682891846,37.0,3.0,13.0,14.0,1.99590003490448,7.0,2.33999991416931
InChI%3D1S%2FC16H17F5N2O2S%2Fc1-7%282%296-8-9%2815%2824%2925-3%2911%2813%2817%2918%2923-12%2816%2819%2C20%2921%2910%288%2914-22-4-5-26-14%2Fh7%2C13H%2C4-6H2%2C1-3H3,3.79699993133545,89.127700805664,7.99701833724976,43.0,11.0,27.0,4.0,2.82789993286133,7.0,2.11999988555908
InChI%3D1S%2FC6H3N3O6%2Fc10-7%2811%294-1-5%288%2812%2913%293-6%282-4%299%2814%2915%2Fh1-3H,-0.0240000002086163,22.3526000976562,1.27938723564148,13.0,4.0,7.0,0.0,-1.1311000585556,0.0,1.35000002384186
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,1.20700001716614,42.2757987976074,1.06750226020813,18.0,7.0,10.0,11.0,1.03320002555847,4.0,1.12999999523163
InChI%3D1S%2FC25H24F6N4%2Fc1-23%282%2915-32-22%2833-16-23%2935-34-21%2813-7-17-3-9-19%2810-4-17%2924%2826%2C27%2928%2914-8-18-5-11-20%2812-6-18%2925%2829%2C30%2931%2Fh3-14H%2C15-16H2%2C1-2H3%2C%28H2%2C32%2C33%2C35%29,10.9490003585815,74.0213012695312,9.34219264984131,56.0,25.0,37.0,7.0,3.05649995803833,8.0,3.10999989509583
InChI%3D1S%2FP4%2Fc1-2-3%281%294%281%292,0.0,27.3439998626709,10.1531448364258,4.0,0.0,6.0,0.0,-3.18639993667603,0.0,1.01999998092651
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,2.09899997711182,25.2765998840332,2.30493116378784,9.0,2.0,4.0,5.0,1.51820003986359,1.0,1.57000005245209
InChI%3D1S%2FC49H73NO14%2Fc1-25%282%2943-28%285%2917-18-48%2864-43%2923-35-20-34%2863-48%2916-15-27%284%2944%2826%283%2913-12-14-33-24-57-46-42%2852%2929%286%2919-36%2847%2853%2960-35%2949%2833%2C46%2954%2961-40-22-38%2856-11%2945%2831%288%2959-40%2962-39-21-37%2855-10%2941%2830%287%2958-39%2950-32%289%2951%2Fh12-15%2C17-19%2C25-26%2C28%2C30-31%2C34-46%2C52%2C54H%2C16%2C20-24H2%2C1-11H3%2C%28H%2C50%2C51%29,2.40199995040894,229.431701660156,0.00116281001828611,137.0,4.0,70.0,4.0,-0.0340999998152256,8.0,5.19999980926514
InChI%3D1S%2FC7H5N3O6%2Fc1-4-6%289%2813%2914%292-5%288%2811%2912%293-7%284%2910%2815%2916%2Fh2-3H%2C1H3,3.10800004005432,84.3436965942383,2.58309173583984,21.0,15.0,16.0,2.0,1.60720002651215,3.0,1.24000000953674
InChI%3D1S%2FC17H29NO3S%2Fc1-5-8-14%2818-21-6-2%2917-15%2819%2910-13%2811-16%2817%2920%299-12%284%2922-7-3%2Fh12-13%2C17H%2C5-11H2%2C1-4H3,3.06900000572205,89.3193969726562,0.0331604108214378,51.0,3.0,22.0,8.0,0.182099997997284,9.0,2.77999997138977
InChI%3D1S%2FC19H34O3%2Fc1-15%282%2922-18%2820%2914-17%284%2911-8-10-16%283%2912-9-13-19%285%2C6%2921-7%2Fh8%2C11%2C14-16H%2C9-10%2C12-13H2%2C1-7H3,5.90500020980835,92.6307983398438,4.82988548278809,56.0,7.0,21.0,22.0,2.19770002365112,11.0,3.22000002861023
InChI%3D1S%2FC9H11ClN2O%2Fc1-12%282%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29,0.754000008106232,56.3357009887695,0.81396484375,24.0,10.0,13.0,6.0,0.902199983596802,3.0,2.00999999046326
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,1.51900005340576,16.4382991790771,1.15111446380615,5.0,0.0,2.0,2.0,1.07290005683899,0.0,1.35000002384186
InChI%3D1S%2FC10H9Cl4O4P%2Fc1-16-19%2815%2C17-2%2918-10%285-11%296-3-8%2813%299%2814%294-7%286%2912%2Fh3-5H%2C1-2H3,3.21900010108948,80.5628967285156,7.48186588287354,28.0,13.0,19.0,10.0,2.73530006408691,5.0,1.57000005245209
InChI%3D1S%2FC8H10O%2Fc1-6-4-3-5-7%282%298%286%299%2Fh3-5%2C9H%2C1-2H3,1.30799996852875,41.125301361084,3.00363564491272,19.0,7.0,9.0,0.0,1.73310005664825,0.0,2.23000001907349
InChI%3D1S%2FC15H18Cl2N2O3%2Fc1-8%282%2921-12-7-11%289%2816%296-10%2812%2917%2919-14%2820%2922-13%2818-19%2915%283%2C4%295%2Fh6-8H%2C1-5H3,4.80800008773804,90.2550964355469,5.4256386756897,42.0,12.0,23.0,4.0,2.32929992675781,4.0,2.33999991416931
InChI%3D1S%2FC12H4Cl2F6N4OS%2Fc13-5-1-4%2811%2815%2C16%2917%292-6%2814%298%285%2924-10%2822%299%287%283-21%2923-24%2926%2825%2912%2818%2C19%2920%2Fh1-2H%2C22H2,2.29099988937378,87.4201965332031,9.71070289611816,34.0,8.0,27.0,6.0,3.11619997024536,4.0,1.24000000953674
InChI%3D1S%2FC17H9ClF8N2O4%2Fc18-8-6-7%284-5-11%288%2931-16%2822%2C23%2914%2821%2932-17%2824%2C25%2926%2927-15%2830%2928-13%2829%2912-9%2819%292-1-3-10%2812%2920%2Fh1-6%2C14H%2C%28H2%2C27%2C28%2C29%2C30%29,3.74399995803833,100.75700378418,24.0933723449707,41.0,19.0,33.0,11.0,4.90850019454956,8.0,1.67999994754791
InChI%3D1S%2FC18H41N7%2Fc19-17%2820%2924-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18%2821%2922%2Fh23H%2C1-16H2%2C%28H4%2C19%2C20%2C24%29%28H4%2C21%2C22%2C25%29,4.17799997329712,79.4873962402344,22.7433605194092,66.0,4.0,24.0,25.0,-4.76900005340576,20.0,2.67000007629395
InChI%3D1S%2FC6H11NO%2Fc8-6-4-2-1-3-5-7-6%2Fh1-5H2%2C%28H%2C7%2C8%29,0.822000026702881,26.2858009338379,1.26202750205994,19.0,3.0,8.0,0.0,-1.12339997291565,0.0,1.89999997615814
InChI%3D1S%2FC7H7Cl3NO3PS%2Fc1-12-15%2816%2C13-2%2914-7-5%289%293-4%288%296%2810%2911-7%2Fh3H%2C1-2H3,3.3289999961853,70.8383026123047,10.2886981964111,23.0,11.0,16.0,7.0,3.20760011672974,4.0,1.24000000953674
InChI%3D1S%2FC11H10Cl2F2N4O3S%2Fc1-5-16-19%2811%2820%2918%285%2910%2814%2915%299-4-8%2817-23%282%2C21%2922%296%2812%293-7%289%2913%2Fh3-4%2C10%2C17H%2C1-2H3,2.52500009536743,83.2827987670898,0.58125376701355,35.0,15.0,24.0,5.0,0.762399971485138,4.0,1.35000002384186
InChI%3D1S%2FC6H10O4S2%2Fc1-5-6%282%2912%289%2C10%294-3-11%285%2C7%298%2Fh3-4H2%2C1-2H3,-0.582000017166138,47.146598815918,0.139875993132591,22.0,8.0,12.0,0.0,-0.374000012874603,0.0,1.46000003814697
InChI%3D1S%2FC10H12ClNO2%2Fc1-7%282%2914-10%2813%2912-9-5-3-4-8%2811%296-9%2Fh3-7H%2C1-2H3%2C%28H%2C12%2C13%29,2.32800006866455,60.0227012634277,3.41030097007751,26.0,10.0,14.0,7.0,1.84669995307922,3.0,2.11999988555908
InChI%3D1S%2FC12H16ClNOS%2Fc1-3-14%284-2%2912%2815%2916-9-10-5-7-11%2813%298-6-10%2Fh5-8H%2C3-4%2C9H2%2C1-2H3,1.98500001430511,74.3812026977539,7.66016340255737,32.0,6.0,16.0,9.0,2.76769995689392,6.0,2.33999991416931
InChI%3D1S%2FC14H16O6%2Fc1-3-18-12%2815%299-20-14%2817%2911-8-6-5-7-10%2811%2913%2816%2919-4-2%2Fh5-8H%2C3-4%2C9H2%2C1-2H3,1.49500000476837,71.9337005615234,1.54380619525909,36.0,12.0,20.0,9.0,1.24249994754791,9.0,2.33999991416931
InChI%3D1S%2FC3H6N6O6%2Fc10-7%2811%294-1-5%288%2812%2913%293-6%282-4%299%2814%2915%2Fh1-3H2,0.699000000953674,28.8591003417969,2.74631190299988,21.0,4.0,15.0,3.0,-1.65719997882843,3.0,0.469999998807907
InChI%3D1S%2FC10H7N3S%2Fc1-2-4-8-7%283-1%2912-10%2813-8%299-5-14-6-11-9%2Fh1-6H%2C%28H%2C12%2C13%29,2.50099992752075,7.79349994659424,0.348808348178864,20.0,8.0,16.0,0.0,0.59060001373291,1.0,2.11999988555908
InChI%3D1S%2FC7H13N3O3S%2Fc1-8-7%2812%2913-9-5%2814-4%296%2811%2910%282%293%2Fh1-4H3%2C%28H%2C8%2C12%29,0.953999996185303,53.7678985595703,0.283662766218185,27.0,9.0,13.0,14.0,0.532599985599518,5.0,1.46000003814697
InChI%3D1S%2FC12H14N4O4S2%2Fc1-19-11%2817%2915-9%2821%2913-7-5-3-4-6-8%287%2914-10%2822%2916-12%2818%2920-2%2Fh3-6H%2C1-2H3%2C%28H2%2C13%2C15%2C17%2C21%29%28H2%2C14%2C16%2C18%2C22%29,1.15400004386902,90.0426025390625,6.1931300163269,36.0,18.0,22.0,8.0,2.48860001564026,6.0,1.67999994754791
InChI%3D1S%2FCH2O%2Fc1-2%2Fh1H2,0.0209999997168779,6.30700016021729,0.781632781028748,4.0,1.0,1.0,1.0,-0.884100019931793,0.0,1.46000003814697
InChI%3D1S%2FC9H21O2PS3%2Fc1-6-10-12%2813%2C11-7-2%2915-8-14-9%283%2C4%295%2Fh6-8H2%2C1-5H3,4.50099992752075,76.9517974853516,13.6434192657471,36.0,4.0,14.0,15.0,3.69370007514954,8.0,1.78999996185303
InChI%3D1S%2FC18H24N2O6%2Fc1-3-5-6-7-8-9-11-14-12-15%2819%2822%2923%2918%2816%2813-14%2920%2824%2925%2926-17%2821%2910-4-2%2Fh4%2C10%2C12-13H%2C3%2C5-9%2C11H2%2C1-2H3,1.82599997520447,70.4521026611328,0.86694723367691,50.0,17.0,26.0,8.0,0.931100010871887,12.0,2.55999994277954
InChI%3D1S%2FC22H23ClN2O9%2Fc1-21%2833%2911-6%2823%294-5-7%2826%298%2811%2915%2827%299-12%2821%2917%2829%2913-14%2825%282%293%2916%2828%2910%2820%2824%2932%2919%2831%2922%2813%2C34%2918%289%2930%2Fh4-5%2C12-14%2C17%2C26-27%2C29%2C32-34H%2C24H2%2C1-3H3,0.0540000014007092,93.9814987182617,10.396110534668,56.0,15.0,37.0,3.0,-3.22429990768433,1.0,2.55999994277954