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

SMILES,NumberOfBonds,HeteroCycles,HBA2,NumberOfHal,ZagrebIndex1,LogP,GeometricalRadius,AliphaticOHGroups,SO2Groups,FractionRotatableBonds,OSOGroups,HydrophobicGroups,AromaticBonds,MolarRefractivity,KierShape1,PolarSurfaceArea,MolecularWeight,KierShape2,KierShape3,HeavyBonds,HBD1,BasicGroups,AromaticOHGroups,AcidicGroups,GeometricalDiameter,NO2Groups,HBD2,TopologicalRadius,NumberOfAtoms,GraphShapeCoefficient,HBA1,TopologicalDiameter,RotatableBonds
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,11.0,0.0,0.0,0.0,50.0,2.8398,0.0,0.0,0.0,0.0,0.0,0.0,11.0,43.948,6.69421487603306,0.0,120.109996795654,2.93877551020408,1.38271604938272,11.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,10.0,4.0,0.0,5.0,0.0
InChI%3D1S%2FC9H7N3O4S%2Fc1-5%2813%2910-9-11-6%284-17-9%297-2-3-8%2816-7%2912%2814%2915%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C13%29,18.0,2.0,5.0,0.0,86.0,3.4424,0.0,1.0,0.0,0.166666666666667,0.0,0.0,10.0,64.0358,13.4320987654321,132.68,246.182996749878,5.76,3.48444444444444,18.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,1.0,17.0,9.0,5.0,10.0,3.0
InChI%3D1S%2FC11H13N5O4%2Fc1-15%282%297-12-11-14-13-9%2820-11%295-3-8-4-6-10%2819-8%2916%2817%2918%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C12%2C14%29,21.0,2.0,4.0,0.0,98.0,0.2002,0.0,0.0,0.0,0.238095238095238,0.0,0.0,10.0,72.6864,16.3718820861678,117.58,266.1519947052,7.85204081632653,5.37890625,21.0,2.0,1.0,0.0,0.0,0.0,1.0,2.0,1.0,20.0,12.0,4.0,13.0,5.0
InChI%3D1S%2FC12H5Cl5%2Fc13-8-3-1-2-6%2810%288%2915%297-4-5-9%2814%2912%2817%2911%287%2916%2Fh1-5H,18.0,0.0,0.0,5.0,88.0,6.6206,0.0,0.0,0.0,0.0555555555555556,0.0,0.0,12.0,76.928,13.4320987654321,0.0,321.396991729736,5.32544378698225,2.56,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,17.0,7.0,0.0,8.0,1.0
InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2,5.0,1.0,2.0,0.0,22.0,-0.6225,0.0,1.0,0.0,0.2,0.0,0.0,0.0,16.8258,3.2,32.76,68.0309982299805,1.0,0.326530612244898,5.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,5.0,2.0,2.0,3.0,1.0
InChI%3D1S%2FC12H12N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29,18.0,1.0,5.0,0.0,88.0,1.2522,0.0,2.0,0.0,0.111111111111111,0.0,1.0,6.0,58.317,13.4320987654321,82.25,220.142994880676,5.32544378698225,2.29072315558802,18.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,17.0,7.0,5.0,8.0,2.0
InChI%3D1S%2FC9H8N4O5%2Fc1-5%2814%2910-4-7-11-9%2812-18-7%296-2-3-8%2817-6%2913%2815%2916%2Fh2-3H%2C4H2%2C1H3%2C%28H%2C10%2C14%29,19.0,2.0,6.0,0.0,90.0,2.2374,0.0,1.0,0.0,0.210526315789474,0.0,0.0,10.0,60.2638,14.409972299169,130.47,244.121994972229,6.43786982248521,3.99583766909469,19.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,1.0,18.0,10.0,6.0,11.0,4.0
InChI%3D1S%2FC8H12N2O3%2Fc1-3-8%284-2%295%2811%299-7%2813%2910-6%288%2912%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29,13.0,1.0,5.0,0.0,64.0,0.7106,0.0,2.0,0.0,0.153846153846154,0.0,4.0,0.0,42.921,11.0769230769231,82.25,172.098996162415,4.02216066481994,1.77514792899408,13.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,13.0,5.0,5.0,6.0,2.0
InChI%3D1S%2FC4H9N3O%2Fc8-6-7-3-1-5-2-4-7%2Fh5H%2C1-4H2,8.0,1.0,3.0,0.0,34.0,0.0539,0.0,0.0,0.0,0.125,0.0,0.0,0.0,26.4268,6.125,49.28,106.063998222351,3.11111111111111,1.8,8.0,1.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,4.0,3.0,5.0,1.0
InChI%3D1S%2FC6H7ClN2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H%2C8-9H2,9.0,0.0,2.0,1.0,42.0,1.5044,0.0,0.0,0.0,0.0,0.0,0.0,6.0,40.2768,7.11111111111111,52.04,135.532997131348,2.72222222222222,1.70414201183432,9.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,9.0,4.0,2.0,5.0,0.0
InChI%3D1S%2FC9H12N2O%2Fc1-11%2810-12%298-7-9-5-3-2-4-6-9%2Fh2-6H%2C7-8H2%2C1H3,12.0,0.0,3.0,0.0,52.0,1.8423,0.0,0.0,0.0,0.333333333333333,0.0,0.0,6.0,48.571,10.0833333333333,32.67,152.111996650696,5.61224489795918,4.0,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,12.0,7.0,3.0,8.0,4.0
InChI%3D1S%2FC10H9Cl4NO2S%2Fc11-9%2812%2910%2813%2C14%2918-15-7%2816%295-3-1-2-4-6%285%298%2815%2917%2Fh1-2%2C5-6%2C9H%2C3-4H2,19.0,1.0,4.0,4.0,96.0,3.4588,0.0,0.0,0.0,0.157894736842105,0.0,0.0,0.0,72.5092,14.409972299169,62.68,339.993993759155,5.17479191438763,2.65927977839335,19.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,18.0,7.0,4.0,8.0,3.0
InChI%3D1S%2FC14H12N4O2%2Fc15-5-1-2-6%2816%2910-9%285%2913%2819%2911-7%2817%293-4-8%2818%2912%2811%2914%2810%2920%2Fh1-4H%2C15-18H2,22.0,0.0,6.0,0.0,112.0,0.790800000000001,0.0,0.0,0.0,0.0,0.0,0.0,12.0,77.3986,14.9173553719008,138.22,256.17999458313,5.32525951557093,2.2032,22.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,20.0,6.0,6.0,7.0,0.0
InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3,10.0,1.0,3.0,1.0,46.0,0.5437,0.0,1.0,0.0,0.2,0.0,0.0,0.0,45.1808,8.1,38.69,246.966996192932,3.40828402366864,1.99111111111111,10.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,10.0,5.0,3.0,6.0,2.0
InChI%3D1S%2FC15H13NO2%2Fc1-10%2817%2916%2818%2913-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9%2C18H%2C8H2%2C1H3,20.0,0.0,3.0,0.0,98.0,3.1085,0.0,0.0,0.0,0.1,0.0,0.0,12.0,71.211,13.005,43.37,226.169994354248,5.17479191438763,2.4,20.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,1.0,18.0,8.0,2.0,9.0,2.0
InChI%3D1S%2FC24H38O4%2Fc1-5-9-13-19%287-3%2917-27-23%2825%2921-15-11-12-16-22%2821%2924%2826%2928-18-20%288-4%2914-10-6-2%2Fh11-12%2C15-16%2C19-20H%2C5-10%2C13-14%2C17-18H2%2C1-4H3,28.0,0.0,4.0,0.0,124.0,6.43300000000001,0.0,0.0,0.0,0.571428571428571,0.0,12.0,6.0,113.619,26.0357142857143,52.6,352.259990692139,15.7889273356401,10.0535395597858,28.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,28.0,16.0,4.0,17.0,16.0
InChI%3D1S%2FC9H10N4S%2Fc10-7-3-1-6%282-4-7%298-5-14-9%2812-8%2913-11%2Fh1-5H%2C10-11H2%2C%28H%2C12%2C13%29,15.0,1.0,5.0,0.0,70.0,1.6779,0.0,0.0,0.0,0.133333333333333,0.0,0.0,11.0,59.7725,10.5155555555556,105.2,196.193998336792,4.68,2.5344,15.0,3.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,14.0,8.0,4.0,9.0,2.0
InChI%3D1S%2FC17H19N3O3S%2Fc1-10-8-18-15%2811%282%2916%2810%2923-4%299-24%2821%2917-19-13-6-5-12%2822-3%297-14%2813%2920-17%2Fh5-8H%2C9H2%2C1-4H3%2C%28H%2C19%2C20%29,26.0,2.0,5.0,0.0,126.0,3.7654,0.0,0.0,0.0,0.192307692307692,0.0,0.0,16.0,93.1562,18.7810650887574,96.31,326.271994590759,8.13148283418554,4.0656,26.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,24.0,12.0,5.0,13.0,5.0
InChI%3D1S%2FCH2ClF%2Fc2-1-3%2Fh1H2,2.0,0.0,0.0,2.0,6.0,1.1522,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.828,3.0,0.0,66.4619979858398,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,3.0,1.0,0.0,2.0,0.0
InChI%3D1S%2FC20H24O2%2Fc1-3-20%2822%2911-9-18-17-6-4-13-12-14%2821%295-7-15%2813%2916%2817%298-10-19%2818%2C20%292%2Fh1%2C5%2C7%2C12%2C16-18%2C21-22H%2C4%2C6%2C8-11H2%2C2H3,25.0,0.0,2.0,0.0,130.0,3.6126,0.0,1.0,0.0,0.0,0.0,4.0,6.0,86.5066,15.5232,40.46,272.217992782593,5.25,2.11111111111111,25.0,2.0,0.0,1.0,0.0,0.0,0.0,2.0,1.0,22.0,10.0,2.0,11.0,0.0
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,7.0,0.0,0.0,6.0,38.0,3.7268,0.0,0.0,0.0,0.142857142857143,0.0,0.0,0.0,40.58,8.0,0.0,236.739994049072,1.75,2.22222222222222,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,2.0,0.0,3.0,1.0
InChI%3D1S%2FC5H10N2O3%2Fc1-7%286-10%294-2-3-5%288%299%2Fh2-4H2%2C1H3%2C%28H%2C8%2C9%29,9.0,0.0,5.0,0.0,38.0,-0.8703,0.0,0.0,0.0,0.555555555555556,0.0,0.0,0.0,33.3525,10.0,72.8,136.065997123718,5.76,7.0,9.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,1.0,10.0,6.0,4.0,7.0,5.0
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H,8.0,0.0,2.0,0.0,36.0,1.0978,0.0,0.0,0.0,0.0,0.0,0.0,6.0,29.7716,6.125,40.46,104.063997268677,2.52,1.48760330578512,8.0,2.0,0.0,2.0,0.0,0.0,0.0,2.0,1.0,8.0,3.0,2.0,4.0,0.0
InChI%3D1S%2FC20H31NO6%2Fc1-6-13%284%2918%2823%2927-16-8-10-21-9-7-15%2817%2816%2921%2911-26-19%2824%2920%2825%2C12%282%293%2914%285%2922%2Fh6-7%2C12%2C14%2C16-17%2C22%2C25H%2C8-11H2%2C1-5H3,28.0,2.0,6.0,0.0,138.0,1.3419,0.0,2.0,0.0,0.321428571428571,0.0,2.0,0.0,98.5425,23.280612244898,97.5,350.220991134644,9.66686496133254,4.95074380165289,28.0,3.0,1.0,0.0,0.0,0.0,0.0,3.0,1.0,27.0,12.0,6.0,13.0,9.0
InChI%3D1S%2FC17H15NO2%2Fc1-11%2819%2918%2812%282%2920%2917-9-5-8-15-14-7-4-3-6-13%2814%2910-16%2815%2917%2Fh3-9H%2C10H2%2C1-2H3,22.0,0.0,3.0,0.0,108.0,3.1572,0.0,0.0,0.0,0.136363636363636,0.0,0.0,12.0,78.525,14.9173553719008,37.38,250.191993713379,6.01171875,2.72,22.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,20.0,7.0,3.0,8.0,3.0
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,14.0,0.0,1.0,0.0,64.0,3.0592,0.0,0.0,0.0,0.0714285714285714,0.0,0.0,12.0,53.5428,9.55102040816327,20.23,160.130995750427,4.48148148148148,2.26843100189036,14.0,1.0,0.0,1.0,0.0,0.0,0.0,1.0,1.0,13.0,6.0,1.0,7.0,1.0
InChI%3D1S%2FC6H6ClN%2Fc7-4-6-2-1-3-8-5-6%2Fh1-3%2C5H%2C4H2,8.0,1.0,1.0,1.0,34.0,1.8204,0.0,0.0,0.0,0.125,0.0,0.0,6.0,33.794,6.125,12.89,121.525997161865,3.11111111111111,1.8,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,4.0,1.0,5.0,1.0
InChI%3D1S%2FC10H13N5O3S%2Fc11-10-13-8-7%289%2819%2914-10%2912-3-15%288%296-1-4%2817%295%282-16%2918-6%2Fh3-6%2C16-17H%2C1-2H2%2C%28H3%2C11%2C13%2C14%2C19%29,21.0,3.0,8.0,0.0,104.0,-0.8317,0.0,2.0,0.0,0.0952380952380952,0.0,0.0,10.0,66.605,13.9591836734694,158.84,270.208996772766,5.41311134235172,2.49215792320173,21.0,5.0,0.0,0.0,0.0,0.0,0.0,5.0,1.0,19.0,8.0,7.0,9.0,2.0
InChI%3D1S%2FC3H4N2O3%2Fc6-3-5%284-7%291-2-8-3%2Fh1-2H2,8.0,1.0,5.0,0.0,36.0,0.0579,0.0,0.0,0.0,0.125,0.0,0.0,0.0,21.6292,6.125,58.97,112.043997764587,2.52,1.25,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,3.0,5.0,4.0,1.0
InChI%3D1S%2FC2H5NS%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,3.0,0.0,2.0,0.0,12.0,0.9134,0.0,0.0,0.0,0.0,0.0,0.0,0.0,22.3867,4.0,62.65,70.0960006713867,1.33333333333333,0.0,3.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,4.0,1.0,2.0,2.0,0.0
InChI%3D1S%2FC14H15N3%2Fc1-10-5-3-4-6-14%2810%2917-16-12-7-8-13%2815%2911%282%299-12%2Fh3-9H%2C15H2%2C1-2H3,18.0,0.0,3.0,0.0,84.0,4.301,0.0,0.0,0.0,0.111111111111111,0.0,0.0,12.0,70.9464,13.4320987654321,50.74,210.174995422363,6.25,3.72889417360285,18.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,17.0,9.0,3.0,10.0,2.0
InChI%3D1S%2FC8H16N2O3%2Fc1-3-5-6-7-10%289-12%298%2811%2913-4-2%2Fh3-7H2%2C1-2H3,12.0,0.0,5.0,0.0,50.0,2.3165,0.0,0.0,0.0,0.666666666666667,0.0,3.0,0.0,49.048,13.0,58.97,172.098996162415,8.59171597633136,6.12244897959184,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,13.0,8.0,5.0,9.0,8.0
InChI%3D1S%2FC6H7N3O%2Fc1-9%288-10%296-4-2-3-5-7-6%2Fh2-5H%2C1H3,10.0,1.0,4.0,0.0,44.0,1.1992,0.0,0.0,0.0,0.2,0.0,0.0,6.0,38.435,8.1,45.56,130.085997581482,4.0,2.28571428571429,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,10.0,5.0,4.0,6.0,2.0
InChI%3D1S%2FC17H14O6%2Fc1-20-10-6-11-14%288-4-5-21-17%288%2922-11%2915-13%2810%297-2-3-9%2818%2912%287%2916%2819%2923-15%2Fh4-6%2C8-9%2C17-18H%2C2-3H2%2C1H3,27.0,3.0,6.0,0.0,138.0,2.1272,0.0,1.0,0.0,0.037037037037037,0.0,0.0,11.0,79.6988,15.2702331961591,78.13,300.180992126465,5.5,2.08284023668639,27.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,23.0,8.0,5.0,9.0,1.0
InChI%3D1S%2FC6H6O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4%2C7-8H,8.0,0.0,2.0,0.0,36.0,1.0978,0.0,0.0,0.0,0.0,0.0,0.0,6.0,29.7716,6.125,40.46,104.063997268677,2.52,1.8,8.0,2.0,0.0,2.0,0.0,0.0,0.0,2.0,1.0,8.0,4.0,2.0,5.0,0.0
InChI%3D1S%2FC12H14N4%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%2Fh1-6H%2C13-16H2,17.0,0.0,4.0,0.0,82.0,1.6824,0.0,0.0,0.0,0.0588235294117647,0.0,0.0,12.0,69.5276,12.4567474048443,104.08,200.159996032715,5.10416666666667,2.83111111111111,17.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,16.0,8.0,4.0,9.0,1.0
InChI%3D1S%2FC2H5NO2%2Fc1-5-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,4.0,0.0,3.0,0.0,16.0,0.1256,0.0,1.0,0.0,0.25,0.0,0.0,0.0,17.3645,5.0,53.31,70.0269985198975,2.25,4.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,5.0,2.0,3.0,3.0,1.0
InChI%3D1S%2FC5H10N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H2,8.0,1.0,3.0,0.0,34.0,1.0916,0.0,0.0,0.0,0.125,0.0,1.0,0.0,28.9992,6.125,32.67,104.067997932434,3.11111111111111,1.8,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,4.0,3.0,5.0,1.0
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,14.0,1.0,4.0,2.0,64.0,2.2128,0.0,0.0,0.0,0.357142857142857,0.0,0.0,0.0,56.6374,12.0714285714286,51.38,245.968996047974,5.77777777777778,3.27272727272727,14.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,14.0,6.0,4.0,7.0,5.0
InChI%3D1S%2FC3H5N3O4%2Fc4-3%289%296%285-10%291-2%287%298%2Fh1H2%2C%28H2%2C4%2C9%29%28H%2C7%2C8%29,9.0,0.0,7.0,0.0,40.0,-1.7875,0.0,1.0,0.0,0.444444444444444,0.0,0.0,0.0,28.55,10.0,116.88,142.049997329712,4.7603305785124,4.48,9.0,2.0,1.0,0.0,1.0,0.0,0.0,3.0,1.0,10.0,4.0,6.0,5.0,4.0
InChI%3D1S%2FC14H8O3%2Fc15-11-7-3-6-10-12%2811%2914%2817%299-5-2-1-4-8%289%2913%2810%2916%2Fh1-7%2C15H,19.0,0.0,3.0,0.0,94.0,2.1676,0.0,0.0,0.0,0.0,0.0,0.0,12.0,61.4138,12.0554016620499,54.37,216.150994300842,4.59183673469388,1.86555621653778,19.0,1.0,0.0,1.0,0.0,0.0,0.0,1.0,1.0,17.0,6.0,3.0,7.0,0.0
InChI%3D1S%2FC5H6O2%2Fc6-4-5-2-1-3-7-5%2Fh1-3%2C6H%2C4H2,7.0,1.0,2.0,0.0,30.0,0.7719,0.0,1.0,0.0,0.142857142857143,0.0,0.0,5.0,24.6308,5.14285714285714,33.37,92.0529975891113,2.34375,1.18518518518519,7.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,7.0,3.0,1.0,4.0,1.0
InChI%3D1S%2FC2H5N3O2%2Fc1-5%284-7%292%283%296%2Fh1H3%2C%28H2%2C3%2C6%29,6.0,0.0,5.0,0.0,26.0,0.0924,0.0,1.0,0.0,0.333333333333333,0.0,0.0,0.0,23.9135,7.0,76.75,98.0409984588623,3.06122448979592,2.66666666666667,6.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,7.0,3.0,5.0,4.0,2.0
InChI%3D1S%2FC9H18N3OP%2Fc1-7-4-10%287%2914%2813%2C11-5-8%2811%292%2912-6-9%2812%293%2Fh7-9H%2C4-6H2%2C1-3H3,16.0,3.0,4.0,0.0,86.0,1.0205,0.0,0.0,0.0,0.1875,0.0,0.0,0.0,49.4511,9.2421875,35.91,197.092997550964,2.5679012345679,0.897959183673469,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,14.0,5.0,4.0,6.0,3.0
InChI%3D1S%2FC14H16N2O2%2Fc1-17-13-7-9%283-5-11%2813%2915%2910-4-6-12%2816%2914%288-10%2918-2%2Fh3-8H%2C15-16H2%2C1-2H3,19.0,0.0,4.0,0.0,90.0,2.5352,0.0,0.0,0.0,0.157894736842105,0.0,0.0,12.0,73.8068,14.409972299169,70.5,228.165994644165,6.43786982248521,3.32179930795848,19.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,18.0,8.0,4.0,9.0,3.0
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3,5.0,0.0,1.0,0.0,24.0,1.4313,0.0,0.0,0.0,0.2,0.0,0.0,0.0,26.762,6.0,9.23,76.0539979934692,1.63265306122449,5.33333333333333,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,6.0,2.0,1.0,3.0,1.0
InChI%3D1S%2FC4H8%2Fc1-4%282%293%2Fh1H2%2C2-3H3,3.0,0.0,0.0,0.0,12.0,1.5824,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.488,4.0,0.0,48.0439987182617,1.33333333333333,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,4.0,1.0,0.0,2.0,0.0
InChI%3D1S%2FC24H26FNO4%2Fc1-15%282%2926-21-6-4-3-5-20%2821%2924%2816-7-9-17%2825%2910-8-16%2922%2826%2912-11-18%2827%2913-19%2828%2914-23%2829%2930%2Fh3-12%2C15%2C18-19%2C27-28H%2C13-14H2%2C1-2H3%2C%28H%2C29%2C30%29,32.0,1.0,5.0,1.0,154.0,3.2934,0.0,2.0,0.0,0.25,0.0,0.0,16.0,113.6921,24.638671875,85.52,385.264989852905,11.2276543209877,6.29250891795482,32.0,2.0,0.0,0.0,1.0,0.0,0.0,3.0,1.0,30.0,13.0,3.0,14.0,8.0
InChI%3D1S%2FC5H11N3O3%2Fc1-2-8%287-11%295%2810%296-3-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29,10.0,0.0,6.0,0.0,42.0,-0.104,0.0,2.0,0.0,0.5,0.0,0.0,0.0,40.1916,11.0,85.49,150.072997093201,6.69421487603306,4.44444444444444,10.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,11.0,6.0,6.0,7.0,5.0
InChI%3D1S%2FC11H14O2%2Fc1-4-5-9-6-7-10%2812-2%2911%288-9%2913-3%2Fh4%2C6-8H%2C1%2C5H2%2C2-3H3,13.0,0.0,2.0,0.0,58.0,2.4323,0.0,0.0,0.0,0.307692307692308,0.0,0.0,6.0,53.447,11.0769230769231,18.46,164.118995666504,5.671875,3.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,13.0,7.0,2.0,8.0,4.0
InChI%3D1S%2FC16H9NO2%2Fc18-17%2819%2914-9-7-12-5-4-10-2-1-3-11-6-8-13%2814%2916%2812%2915%2810%2911%2Fh1-9H,22.0,0.0,0.0,0.0,110.0,5.0154,0.0,0.0,0.0,0.0454545454545455,0.0,0.0,19.0,78.968,12.7190082644628,45.82,238.180994033813,4.77685950413223,1.9192003331945,22.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,19.0,7.0,2.0,8.0,1.0
InChI%3D1S%2FC18H12O6%2Fc1-21-11-7-12-13%288-5-6-22-18%288%2924-12%2917-15%2811%2916%2820%2914-9%2819%293-2-4-10%2814%2923-17%2Fh2-8%2C18-19H%2C1H3,28.0,3.0,6.0,0.0,142.0,3.0064,0.0,0.0,0.0,0.0357142857142857,0.0,0.0,16.0,85.5888,16.1938775510204,78.13,312.19199180603,6.02055164954029,2.33333333333333,28.0,1.0,0.0,1.0,0.0,0.0,0.0,1.0,1.0,24.0,8.0,5.0,9.0,1.0
InChI%3D1S%2FC5H10N4O2%2Fc10-6-8-2-1-3-9%287-11%295-4-8%2Fh1-5H2,11.0,1.0,6.0,0.0,48.0,0.2327,0.0,0.0,0.0,0.181818181818182,0.0,0.0,0.0,34.9134,9.09090909090909,65.34,148.080997467041,4.79289940828402,2.84444444444444,11.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,11.0,6.0,6.0,7.0,2.0
InChI%3D1S%2FC11H14N2O4%2Fc12-10%2814%2916-6-9%287-17-11%2813%2915%298-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2%2C%28H2%2C12%2C14%29%28H2%2C13%2C15%29,17.0,0.0,6.0,0.0,76.0,1.789,0.0,2.0,0.0,0.411764705882353,0.0,0.0,6.0,61.798,15.0588235294118,106.62,224.130994796753,8.16326530612245,6.47933884297521,17.0,4.0,0.0,0.0,0.0,0.0,0.0,4.0,1.0,17.0,7.0,6.0,8.0,7.0
InChI%3D1S%2FC12H7Cl2NO3%2Fc13-8-1-6-12%2811%2814%297-8%2918-10-4-2-9%283-5-10%2915%2816%2917%2Fh1-7H,19.0,0.0,1.0,2.0,90.0,5.2171,0.0,0.0,0.0,0.157894736842105,0.0,0.0,12.0,71.8,14.409972299169,55.05,277.041993141174,6.43786982248521,3.99583766909469,19.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,18.0,10.0,3.0,11.0,3.0
InChI%3D1S%2FC6H13N3O2%2Fc1-2-3-4-5-9%288-11%296%287%2910%2Fh2-5H2%2C1H3%2C%28H2%2C7%2C10%29,10.0,0.0,5.0,0.0,42.0,1.6528,0.0,1.0,0.0,0.6,0.0,3.0,0.0,42.3815,11.0,76.75,146.084997177124,6.69421487603306,5.28925619834711,10.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,11.0,6.0,5.0,7.0,6.0
InChI%3D1S%2FC9H17NO2%2Fc10-7-9%286-8%2811%2912%294-2-1-3-5-9%2Fh1-7%2C10H2%2C%28H%2C11%2C12%29,12.0,0.0,2.0,0.0,56.0,-0.6812,0.0,0.0,0.0,0.25,0.0,5.0,0.0,45.7176,10.0833333333333,67.77,154.103996276855,4.296875,2.77777777777778,12.0,1.0,0.0,0.0,1.0,0.0,0.0,1.0,1.0,12.0,5.0,1.0,6.0,3.0
InChI%3D1S%2FC9H8O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-4H%2C5-6H2,12.0,1.0,2.0,0.0,56.0,1.5382,0.0,0.0,0.0,0.0,0.0,0.0,6.0,40.398,7.63888888888889,26.3,140.096996307373,3.1640625,1.6,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,11.0,5.0,2.0,6.0,0.0
InChI%3D1S%2FC14H13NO%2Fc1-11%2816%2915-14-9-7-13%288-10-14%2912-5-3-2-4-6-12%2Fh2-10H%2C1H3%2C%28H%2C15%2C16%29,17.0,0.0,2.0,0.0,78.0,3.9615,0.0,1.0,0.0,0.117647058823529,0.0,0.0,12.0,67.2758,12.4567474048443,32.59,198.159995079041,6.07438016528926,3.76923076923077,17.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,16.0,9.0,2.0,10.0,2.0
InChI%3D1S%2FC9H13ClN6%2Fc1-4-12-7-13-6%2810%2914-8%2815-7%2916-9%282%2C3%295-11%2Fh4H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29,16.0,1.0,5.0,1.0,76.0,1.09278,0.0,0.0,0.0,0.1875,0.0,0.0,6.0,60.8114,14.0625,89.75,227.593996047974,6.07438016528926,4.81663516068053,16.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,16.0,8.0,5.0,9.0,3.0
InChI%3D1S%2FC9H8N4O2S%2Fc10-12-9-11-8%285-16-9%296-1-3-7%284-2-6%2913%2814%2915%2Fh1-5H%2C10H2%2C%28H%2C11%2C12%29,17.0,1.0,4.0,0.0,80.0,2.5271,0.0,0.0,0.0,0.176470588235294,0.0,0.0,11.0,64.1821,12.4567474048443,125.0,228.191997528076,5.55765595463138,3.02972651605232,17.0,2.0,0.0,0.0,0.0,0.0,1.0,1.0,1.0,16.0,9.0,5.0,10.0,3.0
InChI%3D1S%2FC3H5N3O9%2Fc7-4%288%2913-1-3%2815-6%2811%2912%292-14-5%289%2910%2Fh3H%2C1-2H2,14.0,0.0,0.0,0.0,62.0,0.5495,0.0,0.0,0.0,0.571428571428571,0.0,0.0,0.0,44.263,15.0,165.15,222.044995307922,8.18685121107266,10.2857142857143,14.0,0.0,0.0,0.0,0.0,0.0,3.0,0.0,1.0,15.0,7.0,9.0,8.0,8.0
InChI%3D1S%2FC37H37N2O9S3%2Fc1-3-38%2825-27-7-5-9-35%2823-27%2950%2843%2C44%2945%2932-17-11-29%2812-18-32%2937%2831-15-21-34%2822-16-31%2949%2840%2C41%2942%2930-13-19-33%2820-14-30%2939%284-2%2926-28-8-6-10-36%2824-28%2951%2846%2C47%2948%2Fh5-24H%2C3-4%2C25-26H2%2C1-2H3%2C%28H%2C40%2C41%2C42%29%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29,55.0,0.0,10.0,0.0,272.0,7.0693,0.0,0.0,6.0,0.236363636363636,0.0,0.0,24.0,191.9459,42.1487603305785,204.42,712.612988471985,18.2975156226185,11.52,55.0,1.0,1.0,0.0,3.0,0.0,0.0,4.0,1.0,51.0,21.0,7.0,22.0,13.0
InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2,5.0,0.0,0.0,3.0,20.0,2.3836,0.0,0.0,0.0,0.4,0.0,0.0,0.0,37.229,6.0,0.0,231.293996810913,3.2,3.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,6.0,3.0,0.0,4.0,2.0
InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-2-1-3-8%284-7%296-10%2Fh1-4H2,10.0,1.0,6.0,0.0,44.0,0.1902,0.0,0.0,0.0,0.2,0.0,0.0,0.0,30.0464,8.1,65.34,136.069997787476,4.0,2.28571428571429,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,10.0,5.0,6.0,6.0,2.0
InChI%3D1S%2FC14H8O4%2Fc15-9-5-1-3-7-11%289%2914%2818%2912-8%2813%287%2917%294-2-6-10%2812%2916%2Fh1-6%2C15-16H,20.0,0.0,4.0,0.0,100.0,1.8732,0.0,0.0,0.0,0.0,0.0,0.0,12.0,63.0786,13.005,74.6,232.149993896484,4.83555555555556,1.98347107438017,20.0,2.0,0.0,2.0,0.0,0.0,0.0,2.0,1.0,18.0,6.0,4.0,7.0,0.0
InChI%3D1S%2FC2H3F%2Fc1-2-3%2Fh2H%2C1H2,2.0,0.0,0.0,1.0,6.0,1.0994,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.305,3.0,0.0,43.019998550415,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,3.0,1.0,0.0,2.0,0.0
InChI%3D1S%2FC6H9NO%2Fc1-2-7-5-3-4-6%287%298%2Fh2H%2C1%2C3-5H2,8.0,1.0,2.0,0.0,36.0,0.6902,0.0,0.0,0.0,0.125,0.0,0.0,0.0,28.9242,6.125,20.31,102.071997642517,2.52,1.25,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,3.0,2.0,4.0,1.0
InChI%3D1S%2FC7H5NS2%2Fc9-7-8-5-3-1-2-4-6%285%2910-7%2Fh1-4H%2C%28H%2C8%2C9%29,11.0,1.0,3.0,0.0,52.0,2.585,0.0,0.0,0.0,0.0,0.0,0.0,10.0,46.872,6.69421487603306,79.93,162.218000411987,2.56,1.2409972299169,11.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,10.0,4.0,2.0,5.0,0.0
InChI%3D1S%2FC9H15Cl6O4P%2Fc10-1-7%282-11%2917-20%2816%2C18-8%283-12%294-13%2919-9%285-14%296-15%2Fh7-9H%2C1-6H2,19.0,0.0,4.0,6.0,86.0,4.6829,0.0,0.0,0.0,0.631578947368421,0.0,0.0,0.0,86.5455,20.0,54.57,415.786991119385,10.6875,7.55555555555556,19.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,20.0,7.0,4.0,8.0,12.0
InChI%3D1S%2FC27H50O6%2Fc1-4-7-10-13-16-19-25%2828%2931-22-24%2833-27%2830%2921-18-15-12-9-6-3%2923-32-26%2829%2920-17-14-11-8-5-2%2Fh24H%2C4-23H2%2C1-3H3,32.0,0.0,6.0,0.0,134.0,7.06610000000001,0.0,0.0,0.0,0.8125,0.0,18.0,0.0,131.926,33.0,78.9,420.290988922119,25.1036734693878,23.5102040816327,32.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,33.0,19.0,6.0,20.0,26.0
InChI%3D1S%2FC13H14N2%2Fc14-12-5-1-10%282-6-12%299-11-3-7-13%2815%298-4-11%2Fh1-8H%2C9%2C14-15H2,16.0,0.0,2.0,0.0,74.0,2.4418,0.0,0.0,0.0,0.125,0.0,0.0,12.0,64.5148,11.484375,52.04,184.156995773315,5.36507936507936,3.5,16.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,15.0,9.0,2.0,10.0,2.0
InChI%3D1S%2FC6H12N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3%2C6%2C9H%2C1%2C4-5H2%2C2H3,9.0,0.0,4.0,0.0,38.0,0.5366,0.0,1.0,0.0,0.555555555555556,0.0,0.0,0.0,39.2458,10.0,52.9,132.077997207642,5.76,5.53086419753086,9.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,10.0,5.0,4.0,6.0,5.0
InChI%3D1S%2FC21H32O3%2Fc1-19-11-13%2812-22%2918%2823%2910-14%2819%294-5-15-16%2819%296-8-20%282%2917%2815%297-9-21%2820%2C3%2924%2Fh12%2C14-17%2C22%2C24H%2C4-11H2%2C1-3H3,27.0,0.0,3.0,0.0,144.0,4.401,0.0,2.0,0.0,0.0,0.0,12.0,0.0,93.4526,17.4156378600823,57.53,300.2279920578,5.49728395061728,2.26420138115393,27.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,24.0,9.0,3.0,10.0,0.0
InChI%3D1S%2FC14H14ClN3O2S%2Fc1-8-4-3-5-10%289%288%292%2916-12-6-11%2815%2917-14%2818-12%2921-7-13%2819%2920%2Fh3-6H%2C7H2%2C1-2H3%2C%28H%2C19%2C20%29%28H%2C16%2C17%2C18%29,22.0,1.0,5.0,1.0,104.0,1.7543,0.0,0.0,0.0,0.181818181818182,0.0,0.0,12.0,81.1542,17.3553719008264,106.47,309.692995071411,8.02222222222222,5.28979591836735,22.0,1.0,0.0,0.0,1.0,0.0,0.0,2.0,1.0,21.0,10.0,4.0,11.0,4.0
InChI%3D1S%2FC12H12N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10%2C13-14H,15.0,0.0,2.0,0.0,66.0,3.1256,0.0,0.0,0.0,0.2,0.0,0.0,12.0,60.1294,10.5155555555556,24.06,172.14599609375,5.77777777777778,3.59183673469388,15.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,14.0,8.0,2.0,9.0,3.0
InChI%3D1S%2FC14H14N2%2Fc1-2-16-13-6-4-3-5-11%2813%2912-9-10%2815%297-8-14%2812%2916%2Fh3-9H%2C2%2C15H2%2C1H3,18.0,1.0,2.0,0.0,88.0,3.3966,0.0,0.0,0.0,0.0555555555555556,0.0,0.0,15.0,69.5304,11.1111111111111,30.95,196.167995452881,4.3491124260355,1.76454293628809,18.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,16.0,6.0,1.0,7.0,1.0
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,5.0,1.0,1.0,0.0,20.0,0.7968,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.053,3.2,9.23,64.0429983139038,1.44,0.64,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.0,1.0,1.0,2.0,0.0
InChI%3D1S%2FC3H7NO%2Fc1-3%282%294-5%2Fh5H%2C1-2H3,4.0,0.0,2.0,0.0,16.0,0.8564,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.5695,5.0,32.59,66.0389986038208,2.25,4.0,4.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,5.0,2.0,2.0,3.0,0.0
InChI%3D1S%2FCH4N2O2%2Fc2-1-3%284%295%2Fh1-2H2,4.0,0.0,0.0,0.0,16.0,-1.0143,0.0,0.0,0.0,0.25,0.0,0.0,0.0,19.0511,5.0,73.46,72.0229988098145,2.25,4.0,4.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,5.0,2.0,2.0,3.0,1.0
InChI%3D1S%2FC9H19N3O2%2Fc1-3-5-7-10-9%2813%2912%2811-14%298-6-4-2%2Fh3-8H2%2C1-2H3%2C%28H%2C10%2C13%29,13.0,0.0,5.0,0.0,54.0,2.484,0.0,1.0,0.0,0.615384615384615,0.0,4.0,0.0,57.2478,14.0,65.26,182.11799621582,9.55102040816327,7.04,13.0,1.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,14.0,9.0,5.0,10.0,8.0
InChI%3D1S%2FC6H6N2O3%2Fc7-5-3-4%288%2810%2911%291-2-6%285%299%2Fh1-3%2C9H%2C7H2,11.0,0.0,2.0,0.0,52.0,1.4058,0.0,0.0,0.0,0.0909090909090909,0.0,0.0,6.0,41.3412,9.09090909090909,92.07,148.076996803284,3.6,2.21453287197232,11.0,2.0,0.0,1.0,0.0,0.0,1.0,1.0,1.0,11.0,5.0,4.0,6.0,1.0
InChI%3D1S%2FC15H9NO4%2Fc1-8-6-7-11-12%2813%288%2916%2819%2920%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C1H3,22.0,0.0,2.0,0.0,110.0,3.2018,0.0,0.0,0.0,0.0454545454545455,0.0,0.0,12.0,73.308,14.9173553719008,79.96,258.167993545532,5.65289256198347,2.390625,22.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,20.0,7.0,4.0,8.0,1.0
InChI%3D1S%2FC12H12N2O2S%2Fc13-9-1-5-11%286-2-9%2917%2815%2C16%2912-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,18.0,0.0,4.0,0.0,88.0,2.7646,0.0,0.0,2.0,0.111111111111111,0.0,0.0,12.0,67.2048,13.4320987654321,94.56,236.210996627808,5.32544378698225,3.0625,18.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,17.0,9.0,4.0,10.0,2.0
InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3,4.0,0.0,1.0,0.0,20.0,0.7772,0.0,1.0,0.0,0.0,0.0,0.0,0.0,21.9718,5.0,20.23,64.0429983139038,1.0,0.0,4.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,5.0,1.0,1.0,2.0,0.0
InChI%3D1S%2FC6H4N4O3S%2Fc7-6-9-8-5%2814-6%293-1-2-4%2813-3%2910%2811%2912%2Fh1-2H%2C%28H2%2C7%2C9%29,15.0,2.0,4.0,0.0,72.0,1.6421,0.0,0.0,0.0,0.133333333333333,0.0,0.0,10.0,48.8434,10.5155555555556,139.73,208.157998085022,4.24489795918367,2.34319526627219,15.0,2.0,0.0,0.0,0.0,0.0,1.0,2.0,1.0,14.0,7.0,4.0,8.0,2.0
InChI%3D1S%2FC19H16ClNO4%2Fc1-11-15%2810-18%2822%2923%2916-9-14%2825-2%297-8-17%2816%2921%2811%2919%2824%2912-3-5-13%2820%296-4-12%2Fh3-9H%2C10H2%2C1-2H3%2C%28H%2C22%2C23%29,27.0,1.0,5.0,1.0,132.0,2.5926,0.0,0.0,0.0,0.185185185185185,0.0,0.0,16.0,93.805,19.7530864197531,71.36,341.664991378784,8.34714003944773,4.13527945888216,27.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,1.0,25.0,11.0,3.0,12.0,5.0
InChI%3D1S%2FC15H18N2%2Fc1-10-7-12%283-5-14%2810%2916%299-13-4-6-15%2817%2911%282%298-13%2Fh3-8H%2C9%2C16-17H2%2C1-2H3,18.0,0.0,2.0,0.0,86.0,3.0586,0.0,0.0,0.0,0.111111111111111,0.0,0.0,12.0,73.9888,13.4320987654321,52.04,208.178995132446,5.76,3.48444444444444,18.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,17.0,9.0,2.0,10.0,2.0
InChI%3D1S%2FC21H27N5O2S%2Fc1-14-4-5-15%2811-24-14%2910-16-12-25-20%2826-19%2816%2927%2923-8-9-29-13-17-6-7-18%2828-17%2921%282%2C3%2922%2Fh4-7%2C11-12H%2C8-10%2C13%2C22H2%2C1-3H3%2C%28H2%2C23%2C25%2C26%2C27%29,31.0,3.0,6.0,0.0,148.0,2.3136,0.0,0.0,0.0,0.258064516129032,0.0,0.0,17.0,115.3806,23.6586888657648,140.24,386.330993652344,11.0394808004327,7.5712,31.0,3.0,0.0,1.0,0.0,0.0,0.0,2.0,1.0,29.0,18.0,5.0,19.0,8.0
InChI%3D1S%2FC12H11N3%2Fc1-7-12-8-4-2-3-5-9%288%2915-10%2812%296-11%2813%2914-7%2Fh2-6%2C15H%2C1H3%2C%28H2%2C13%2C14%29,17.0,2.0,1.0,0.0,84.0,2.4371,0.0,0.0,0.0,0.0,0.0,0.0,15.0,60.7471,10.1730103806228,55.43,186.152996063232,3.7856,1.64571428571429,17.0,3.0,0.0,0.0,0.0,0.0,0.0,3.0,1.0,15.0,6.0,1.0,7.0,0.0
InChI%3D1S%2FC17H21N3%2Fc1-19%282%2915-9-5-13%286-10-15%2917%2818%2914-7-11-16%2812-8-14%2920%283%294%2Fh5-12%2C18H%2C1-4H3,21.0,0.0,3.0,0.0,100.0,3.2348,0.0,0.0,0.0,0.19047619047619,0.0,0.0,12.0,87.4687,16.3718820861678,30.33,246.20799446106,7.31985731272295,4.25,21.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,20.0,11.0,3.0,12.0,4.0
InChI%3D1S%2FC4H8N2O2%2Fc1-4%287%293-6%282%295-8%2Fh3H2%2C1-2H3,7.0,0.0,4.0,0.0,30.0,0.1886,0.0,0.0,0.0,0.428571428571429,0.0,0.0,0.0,29.106,8.0,49.74,108.055997848511,3.9375,5.0,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,4.0,4.0,5.0,3.0
InChI%3D1S%2FC9H13N%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5H%2C10H2%2C1-3H3,10.0,0.0,1.0,0.0,48.0,2.194,0.0,0.0,0.0,0.0,0.0,0.0,6.0,45.0654,8.1,26.02,122.105997085571,2.93877551020408,1.75,10.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,10.0,4.0,1.0,5.0,0.0
InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29,6.0,1.0,2.0,0.0,26.0,-0.7827,0.0,0.0,0.0,0.0,0.0,0.0,5.0,18.7931,4.16666666666667,68.32,80.0499992370605,1.63265306122449,0.979591836734694,6.0,3.0,0.0,0.0,0.0,0.0,0.0,3.0,1.0,6.0,2.0,2.0,3.0,0.0
InChI%3D1S%2FC13H9NO2%2Fc15-14%2816%2911-5-6-13-10%288-11%297-9-3-1-2-4-12%289%2913%2Fh1-6%2C8H%2C7H2,18.0,0.0,0.0,0.0,88.0,3.6892,0.0,0.0,0.0,0.0555555555555556,0.0,0.0,12.0,63.506,11.1111111111111,45.82,202.147994995117,4.3491124260355,1.96604938271605,18.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,16.0,7.0,2.0,8.0,1.0
InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295,4.0,0.0,0.0,4.0,20.0,2.5529,0.0,0.0,0.0,0.0,0.0,0.0,0.0,26.143,5.0,0.0,153.822996139526,1.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.0,1.0,0.0,2.0,0.0
InChI%3D1S%2FC6H10N3O6P%2Fc1-5-7-4-6%289%2810%2911%298%285%292-3-15-16%2812%2C13%2914%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C12%2C13%2C14%29,16.0,1.0,6.0,0.0,78.0,1.6086,0.0,0.0,0.0,0.3125,0.0,0.0,5.0,50.7175,14.0625,145.87,241.054996490479,5.55765595463138,4.42361111111111,16.0,0.0,0.0,0.0,2.0,0.0,1.0,2.0,1.0,16.0,7.0,5.0,8.0,5.0
InChI%3D1S%2FC15H17N3%2Fc1-12-5-4-6-14%2811-12%2917-16-13-7-9-15%2810-8-13%2918%282%293%2Fh4-11H%2C1-3H3,19.0,0.0,3.0,0.0,88.0,4.4764,0.0,0.0,0.0,0.157894736842105,0.0,0.0,12.0,76.124,14.409972299169,27.96,222.185995101929,6.9632,4.56599286563615,19.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,18.0,10.0,3.0,11.0,3.0
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,13.0,0.0,0.0,0.0,62.0,2.8578,0.0,0.0,0.0,0.153846153846154,0.0,0.0,6.0,48.823,11.0769230769231,91.64,176.086996078491,4.48148148148148,2.72108843537415,13.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,1.0,13.0,5.0,4.0,6.0,2.0
InChI%3D1S%2FC13H21NO3%2Fc1-13%282%2C3%2914-7-12%2817%299-4-5-11%2816%2910%286-9%298-15%2Fh4-6%2C12%2C14-17H%2C7-8H2%2C1-3H3,17.0,0.0,3.0,0.0,82.0,0.279800000000001,0.0,2.0,0.0,0.294117647058824,0.0,0.0,6.0,67.6688,15.0588235294118,77.3,218.146994590759,6.25,5.0176,17.0,4.0,1.0,1.0,0.0,0.0,0.0,3.0,1.0,17.0,8.0,3.0,9.0,5.0
InChI%3D1S%2FC3H5ClO%2Fc4-1-3-2-5-3%2Fh3H%2C1-2H2,5.0,1.0,1.0,1.0,22.0,0.624,0.0,0.0,0.0,0.2,0.0,0.0,0.0,20.46,3.2,12.53,87.4849977493286,1.0,0.326530612244898,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.0,2.0,1.0,3.0,1.0
InChI%3D1S%2FC62H86N12O16%2Fc1-27%282%2942-59%2884%2973-23-17-19-36%2873%2957%2882%2969%2813%2925-38%2875%2971%2815%2948%2829%285%296%2961%2886%2988-33%2811%2944%2855%2880%2965-42%2967-53%2878%2935-22-21-31%289%2951-46%2835%2964-47-40%2841%2863%2950%2877%2932%2810%2952%2847%2990-51%2954%2879%2968-45-34%2812%2989-62%2887%2949%2830%287%298%2972%2816%2939%2876%2926-70%2814%2958%2883%2937-20-18-24-74%2837%2960%2885%2943%2828%283%294%2966-56%2845%2981%2Fh21-22%2C27-30%2C33-34%2C36-37%2C42-45%2C48-49H%2C17-20%2C23-26%2C63H2%2C1-16H3%2C%28H%2C65%2C80%29%28H%2C66%2C81%29%28H%2C67%2C78%29%28H%2C68%2C79%29,96.0,5.0,28.0,0.0,480.0,2.05439999999999,0.0,4.0,0.0,0.0833333333333333,0.0,8.0,15.0,313.7822,77.353515625,373.94,1168.74997329712,33.2376543209877,17.3600968847432,96.0,5.0,0.0,0.0,0.0,0.0,0.0,4.0,1.0,90.0,27.0,27.0,28.0,8.0
InChI%3D1S%2FC5H11NO2%2Fc1-3-5%284-2%296%287%298%2Fh5H%2C3-4H2%2C1-2H3,7.0,0.0,0.0,0.0,30.0,1.9749,0.0,0.0,0.0,0.428571428571429,0.0,2.0,0.0,33.532,8.0,45.82,106.059997558594,3.9375,2.8125,7.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,8.0,3.0,2.0,4.0,3.0
InChI%3D1S%2FC4H9NO2%2Fc1-4%282%293-7-5-6%2Fh4H%2C3H2%2C1-2H3,6.0,0.0,1.0,0.0,24.0,1.3404,0.0,0.0,0.0,0.5,0.0,2.0,0.0,26.585,7.0,38.66,94.0489978790283,4.16666666666667,6.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,7.0,4.0,3.0,5.0,3.0
InChI%3D1S%2FC15H18N4O%2Fc1-3-18%284-2%2915-7-5-13%286-8-15%2916-17-14-9-11-19%2820%2912-10-14%2Fh5-12H%2C3-4H2%2C1-2H3,21.0,1.0,4.0,0.0,96.0,3.5816,0.0,0.0,0.0,0.238095238095238,0.0,0.0,12.0,81.715,16.3718820861678,53.42,252.191994667053,8.44444444444444,5.05785123966942,21.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,20.0,12.0,4.0,13.0,5.0
InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H,12.0,1.0,2.0,0.0,56.0,1.793,0.0,0.0,0.0,0.0,0.0,0.0,11.0,42.484,7.63888888888889,30.21,140.096996307373,3.1640625,1.6,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,11.0,5.0,1.0,6.0,0.0
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,12.0,0.0,1.0,5.0,60.0,4.6592,0.0,0.0,0.0,0.0,0.0,0.0,6.0,53.1568,10.0833333333333,20.23,265.329993247986,3.39506172839506,1.5625,12.0,1.0,0.0,1.0,0.0,0.0,0.0,1.0,1.0,12.0,4.0,1.0,5.0,0.0
InChI%3D1S%2FC20H12%2Fc1-2-7-17-15%284-1%2912-16-9-8-13-5-3-6-14-10-11-18%2817%2920%2816%2919%2813%2914%2Fh1-12H,24.0,0.0,0.0,0.0,120.0,5.7372,0.0,0.0,0.0,0.0,0.0,0.0,24.0,87.652,12.5347222222222,0.0,240.219993591309,4.75,1.82082644628099,24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,20.0,8.0,0.0,9.0,0.0
InChI%3D1S%2FC6H12N2OS2%2Fc1-4-8%287-9%295%282%2911-6%283%2910-4%2Fh4-6H%2C1-3H3,11.0,1.0,5.0,0.0,52.0,2.4257,0.0,0.0,0.0,0.0909090909090909,0.0,0.0,0.0,48.9822,9.09090909090909,83.27,180.213000297546,3.6,1.97530864197531,11.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,11.0,5.0,5.0,6.0,1.0
InChI%3D1S%2FC10H16%2Fc1-8%282%2910-6-4-9%283%295-7-10%2Fh4%2C10H%2C1%2C5-7H2%2C2-3H3,10.0,0.0,0.0,0.0,46.0,3.3089,0.0,0.0,0.0,0.1,0.0,1.0,0.0,45.912,8.1,0.0,120.109996795654,3.40828402366864,2.28571428571429,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,10.0,5.0,0.0,6.0,1.0
InChI%3D1S%2FC12H26N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-14%282%2913-15%2Fh3-12H2%2C1-2H3,14.0,0.0,3.0,0.0,56.0,4.1304,0.0,0.0,0.0,0.785714285714286,0.0,9.0,0.0,65.652,15.0,32.67,188.144995689392,12.0714285714286,11.9289940828402,14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,15.0,12.0,3.0,13.0,11.0
InChI%3D1S%2FC18H16N2O7S2%2Fc1-10-3-6-15%2811%282%297-10%2919-20-17-14-9-13%2828%2822%2C23%2924%295-4-12%2814%298-16%2818%2817%2921%2929%2825%2C26%2927%2Fh3-9%2C19H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29,31.0,0.0,9.0,0.0,158.0,3.6541,0.0,0.0,4.0,0.129032258064516,0.0,0.0,12.0,103.2505,23.6586888657648,172.62,420.338994026184,8.859375,5.43751795461074,31.0,1.0,0.0,0.0,2.0,0.0,0.0,3.0,1.0,29.0,11.0,7.0,12.0,4.0
InChI%3D1S%2FC19H27NO7%2Fc1-11-9-19%2812%282%2927-19%2917%2823%2926-14-6-8-20%284%297-5-13%2815%2814%2921%2910-25-16%2822%2918%2811%2C3%2924%2Fh5%2C11-12%2C14%2C24H%2C6-10H2%2C1-4H3,29.0,3.0,7.0,0.0,148.0,0.372800000000001,0.0,1.0,0.0,0.0,0.0,1.0,0.0,92.4687,21.7027348394768,106.87,354.20899105072,8.02469135802469,4.02472453641494,29.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,27.0,9.0,7.0,10.0,0.0
InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3,8.0,0.0,0.0,0.0,34.0,2.4902,0.0,0.0,0.0,0.375,0.0,2.0,0.0,37.827,9.0,45.82,118.070997238159,4.83950617283951,3.55555555555556,8.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,9.0,4.0,2.0,5.0,3.0
InChI%3D1S%2FC7H3Cl5O%2Fc1-13-7-5%2811%293%289%292%288%294%2810%296%287%2912%2Fh1H3,13.0,0.0,1.0,5.0,64.0,4.9622,0.0,0.0,0.0,0.0769230769230769,0.0,0.0,6.0,58.044,11.0769230769231,9.23,277.340992927551,4.02216066481994,1.77514792899408,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,13.0,5.0,1.0,6.0,1.0
InChI%3D1S%2FC9H15Br6O4P%2Fc10-1-7%2813%294-17-20%2816%2C18-5-8%2814%292-11%2919-6-9%2815%293-12%2Fh7-9H%2C1-6H2,19.0,0.0,4.0,6.0,86.0,5.6195,0.0,0.0,0.0,0.631578947368421,0.0,0.0,0.0,104.9895,20.0,54.57,682.492992401123,10.6875,9.5625,19.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,20.0,9.0,4.0,10.0,12.0
InChI%3D1S%2FC5H7N3OS%2Fc1-4-2-10-5%287-4%298-6-3-9%2Fh2-3H%2C1H3%2C%28H%2C6%2C9%29%28H%2C7%2C8%29,10.0,1.0,5.0,0.0,44.0,1.3647,0.0,1.0,0.0,0.2,0.0,0.0,5.0,41.5945,8.1,85.75,150.14199924469,4.0,2.6508875739645,10.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,10.0,6.0,4.0,7.0,2.0
InChI%3D1S%2FC19H28O2%2Fc1-18-9-7-13%2820%2911-12%2818%293-4-14-15-5-6-17%2821%2919%2815%2C2%2910-8-16%2814%2918%2Fh3%2C13-16%2C20H%2C4-11H2%2C1-2H3,24.0,0.0,2.0,0.0,126.0,3.8792,0.0,1.0,0.0,0.0,0.0,9.0,0.0,82.7168,14.5833333333333,37.3,260.206993103027,4.74687705456936,1.92627824019025,24.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,21.0,9.0,2.0,10.0,0.0
InChI%3D1S%2FC7H10N2%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C8-9H2%2C1H3,9.0,0.0,2.0,0.0,42.0,1.1594,0.0,0.0,0.0,0.0,0.0,0.0,6.0,40.0038,7.11111111111111,52.04,112.090997695923,2.72222222222222,1.70414201183432,9.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,9.0,4.0,2.0,5.0,0.0
InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2,6.0,1.0,2.0,0.0,24.0,0.0332,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.638,4.16666666666667,18.46,80.0419979095459,2.22222222222222,1.33333333333333,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,6.0,2.0,2.0,3.0,0.0
InChI%3D1S%2FC14H12FNO%2Fc1-10%2817%2916-14-8-4-12%285-9-14%2911-2-6-13%2815%297-3-11%2Fh2-9H%2C1H3%2C%28H%2C16%2C17%29,18.0,0.0,2.0,1.0,84.0,4.1006,0.0,1.0,0.0,0.111111111111111,0.0,0.0,12.0,67.2338,13.4320987654321,32.59,217.157994270325,6.25,4.0,18.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,17.0,10.0,2.0,11.0,2.0
InChI%3D1S%2FC7H8N2O%2Fc1-9%288-10%297-5-3-2-4-6-7%2Fh2-6H%2C1H3,10.0,0.0,3.0,0.0,44.0,1.8042,0.0,0.0,0.0,0.2,0.0,0.0,6.0,40.64,8.1,32.67,128.089997291565,4.0,2.28571428571429,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,10.0,5.0,3.0,6.0,2.0
InChI%3D1S%2FC8H6N4O5%2Fc13-6-4-11%288%2814%2910-6%299-3-5-1-2-7%2817-5%2912%2815%2916%2Fh1-3H%2C4H2%2C%28H%2C10%2C13%2C14%29,18.0,2.0,6.0,0.0,86.0,0.8105,0.0,1.0,0.0,0.166666666666667,0.0,0.0,5.0,52.2612,13.4320987654321,124.22,232.110995292664,5.76,3.48444444444444,18.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,1.0,17.0,9.0,7.0,10.0,3.0
InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2,13.0,3.0,4.0,0.0,68.0,0.622,0.0,0.0,0.0,0.230769230769231,0.0,0.0,0.0,42.5706,6.50887573964497,50.93,177.128000259399,1.83673469387755,0.587695133149679,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,11.0,3.0,4.0,4.0,3.0
InChI%3D1S%2FC8H6N4O4S%2Fc1-4%2813%299-8-11-10-7%2817-8%295-2-3-6%2816-5%2912%2814%2915%2Fh2-3H%2C1H3%2C%28H%2C9%2C11%2C13%29,18.0,2.0,6.0,0.0,86.0,2.8374,0.0,1.0,0.0,0.166666666666667,0.0,0.0,10.0,61.8308,13.4320987654321,145.57,248.178997039795,5.76,3.48444444444444,18.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,1.0,17.0,9.0,6.0,10.0,3.0
InChI%3D1S%2FC16H15NO2%2Fc17-15-11-5-4-10-14%2815%2916%2818%2919-12-6-9-13-7-2-1-3-8-13%2Fh1-11H%2C12%2C17H2,20.0,0.0,3.0,0.0,90.0,3.139,0.0,0.0,0.0,0.25,0.0,0.0,12.0,76.6129,15.39,52.32,238.180994033813,8.3232,5.12,20.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,19.0,11.0,3.0,12.0,5.0
InChI%3D1S%2FC7H7NO3%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3,11.0,0.0,1.0,0.0,50.0,2.1266,0.0,0.0,0.0,0.181818181818182,0.0,0.0,6.0,41.816,9.09090909090909,55.05,146.080996513367,4.13265306122449,2.21453287197232,11.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,11.0,4.0,3.0,5.0,2.0
InChI%3D1S%2FC7H7FN2O%2Fc1-10%289-11%297-4-2-6%288%293-5-7%2Fh2-5H%2C1H3,11.0,0.0,3.0,1.0,50.0,1.9433,0.0,0.0,0.0,0.181818181818182,0.0,0.0,6.0,40.598,9.09090909090909,32.67,147.087996482849,4.13265306122449,2.5,11.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,11.0,6.0,3.0,7.0,2.0
InChI%3D1S%2FC32H24N6O14S4%2Fc33-23-13-21%2853%2841%2C42%2943%299-17-11-25%2855%2847%2C48%2949%2929%2831%2839%2927%2817%2923%2937-35-19-5-1-15%282-6-19%2916-3-7-20%288-4-16%2936-38-30-26%2856%2850%2C51%2952%2912-18-10-22%2854%2844%2C45%2946%2914-24%2834%2928%2818%2932%2830%2940%2Fh1-14%2C35-36H%2C33-34H2%2C%28H%2C41%2C42%2C43%29%28H%2C44%2C45%2C46%29%28H%2C47%2C48%2C49%29%28H%2C50%2C51%2C52%29,61.0,0.0,20.0,0.0,314.0,5.75040000000001,0.0,0.0,8.0,0.147540983606557,0.0,0.0,24.0,195.8148,45.5253963988175,397.28,820.647989273071,17.40234375,10.3834990593926,61.0,4.0,0.0,0.0,4.0,0.0,0.0,6.0,1.0,56.0,26.0,16.0,27.0,9.0
InChI%3D1S%2FCH4N2S%2Fc2-1%283%294%2Fh%28H4%2C2%2C3%2C4%29,3.0,0.0,3.0,0.0,12.0,-0.1903,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.9001,4.0,88.67,72.0920009613037,1.33333333333333,0.0,3.0,3.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,4.0,1.0,3.0,2.0,0.0
InChI%3D1S%2FC32H40BrN5O5%2Fc1-16%282%2912-24-29%2840%2937-11-7-10-25%2837%2932%2842%2938%2824%2930%2841%2931%2843-32%2C17%283%294%2935-28%2839%2918-13-20-19-8-6-9-22-26%2819%2921%2827%2833%2934-22%2914-23%2820%2936%285%2915-18%2Fh6%2C8-9%2C13%2C16-18%2C23-25%2C34%2C42H%2C7%2C10-12%2C14-15H2%2C1-5H3%2C%28H%2C35%2C39%29,49.0,5.0,8.0,1.0,256.0,4.06100000000001,0.0,2.0,0.0,0.102040816326531,0.0,5.0,10.0,160.3826,31.5918367346939,122.9,614.28598690033,11.3126101586284,4.74542758279783,49.0,4.0,1.0,0.0,0.0,0.0,0.0,4.0,1.0,43.0,15.0,8.0,16.0,5.0
InChI%3D1S%2FC7H4N2O3S%2Fc10-9%2811%297-2-1-6%2812-7%295-3-13-4-8-5%2Fh1-4H,14.0,2.0,3.0,0.0,66.0,2.8345,0.0,0.0,0.0,0.142857142857143,0.0,0.0,10.0,48.638,9.55102040816327,100.09,192.154997825623,4.02216066481994,2.08333333333333,14.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,13.0,6.0,3.0,7.0,2.0
InChI%3D1S%2FC3H3N3O3%2Fc7-2-1-6%285-9%293%288%294-2%2Fh1H2%2C%28H%2C4%2C7%2C8%29,9.0,1.0,6.0,0.0,42.0,-0.5666,0.0,1.0,0.0,0.111111111111111,0.0,0.0,0.0,22.9322,7.11111111111111,82.33,126.05099773407,2.72222222222222,1.46938775510204,9.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,9.0,4.0,6.0,5.0,1.0
InChI%3D1S%2FC7H14N2O%2Fc10-8-9-6-4-2-1-3-5-7-9%2Fh1-7H2,10.0,1.0,3.0,0.0,42.0,1.8718,0.0,0.0,0.0,0.1,0.0,3.0,0.0,38.2332,8.1,32.67,128.089997291565,4.7603305785124,3.11111111111111,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,10.0,5.0,3.0,6.0,1.0
InChI%3D1S%2FC2H2F4%2Fc3-1-2%284%2C5%296%2Fh1H2,5.0,0.0,0.0,4.0,24.0,1.5182,0.0,0.0,0.0,0.2,0.0,0.0,0.0,12.03,6.0,0.0,100.013996124268,1.63265306122449,5.33333333333333,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,6.0,2.0,0.0,3.0,1.0
InChI%3D1S%2FC16H17NO2%2Fc1-18-15-9-10-16%2819-2%2913%2811-15%296-3-12-4-7-14%2817%298-5-12%2Fh3-11H%2C17H2%2C1-2H3,20.0,0.0,3.0,0.0,92.0,3.4564,0.0,0.0,0.0,0.2,0.0,0.0,12.0,79.3284,15.39,44.48,238.180994033813,7.69526627218935,4.5,20.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,19.0,10.0,3.0,11.0,4.0
InChI%3D1S%2FC15H11NO2%2Fc1-8-6-7-11-12%2813%288%2916%2915%2818%2910-5-3-2-4-9%2810%2914%2811%2917%2Fh2-7H%2C16H2%2C1H3,20.0,0.0,3.0,0.0,100.0,2.3526,0.0,0.0,0.0,0.0,0.0,0.0,12.0,68.8984,13.005,60.16,226.169994354248,4.83555555555556,1.98347107438017,20.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,18.0,7.0,3.0,8.0,0.0
InChI%3D1S%2FC12H8Cl2%2Fc13-11-5-1-3-9%287-11%2910-4-2-6-12%2814%298-10%2Fh1-8H,15.0,0.0,0.0,2.0,70.0,4.6604,0.0,0.0,0.0,0.0666666666666667,0.0,0.0,12.0,61.898,10.5155555555556,0.0,215.037994384766,4.68,2.75,15.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,14.0,6.0,0.0,7.0,1.0
InChI%3D1S%2FC6H13NO%2Fc1-4-7%285-2%296%283%298%2Fh4-5H2%2C1-3H3,7.0,0.0,2.0,0.0,30.0,0.8747,0.0,0.0,0.0,0.428571428571429,0.0,0.0,0.0,33.602,8.0,20.31,102.071997642517,3.9375,2.8125,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,3.0,2.0,4.0,3.0
InChI%3D1S%2FC3H4O2%2Fc4-2-1-3-5%2Fh1-4H,4.0,0.0,2.0,0.0,14.0,0.257,0.0,1.0,0.0,0.25,0.0,0.0,0.0,17.8328,5.0,37.3,68.0309982299805,4.0,4.0,4.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,5.0,3.0,2.0,4.0,1.0
InChI%3D1S%2FC9H11N3O%2Fc13-11-12-6-2-4-9%2812%298-3-1-5-10-7-8%2Fh1%2C3%2C5%2C7%2C9H%2C2%2C4%2C6H2,14.0,2.0,4.0,0.0,64.0,1.8378,0.0,0.0,0.0,0.142857142857143,0.0,0.0,6.0,46.4932,9.55102040816327,45.56,166.118996620178,4.48148148148148,2.08333333333333,14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,13.0,6.0,4.0,7.0,2.0
InChI%3D1S%2FC2H5N5O3%2Fc1-6%285-8%292%283%294-7%289%2910%2Fh1H3%2C%28H2%2C3%2C4%29,9.0,0.0,5.0,0.0,40.0,-0.1611,0.0,0.0,0.0,0.444444444444444,0.0,0.0,0.0,33.5824,10.0,114.37,142.053997993469,4.7603305785124,4.48,9.0,2.0,2.0,0.0,0.0,0.0,1.0,2.0,1.0,10.0,5.0,7.0,6.0,4.0
InChI%3D1S%2FC10H8N4%2Fc11-8-5-4-7-10%2813-8%2914-6-2-1-3-9%2814%2912-7%2Fh1-6H%2C%28H2%2C11%2C13%29,16.0,3.0,3.0,0.0,78.0,1.2951,0.0,0.0,0.0,0.0,0.0,0.0,15.0,52.9034,9.2421875,56.94,176.137996673584,3.53875236294896,1.546875,16.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,14.0,6.0,2.0,7.0,0.0
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,8.0,0.0,1.0,1.0,36.0,1.9222,0.0,0.0,0.0,0.0,0.0,0.0,6.0,35.8644,6.125,26.02,121.525997161865,2.52,1.8,8.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,4.0,1.0,5.0,0.0
InChI%3D1S%2FC26H29NO%2Fc1-4-25%2821-11-7-5-8-12-21%2926%2822-13-9-6-10-14-22%2923-15-17-24%2818-16-23%2928-20-19-27%282%293%2Fh5-18H%2C4%2C19-20H2%2C1-3H3,30.0,0.0,1.0,0.0,138.0,4.579,0.0,0.0,0.0,0.266666666666667,0.0,1.0,18.0,120.8397,22.68,13.67,342.291991233826,12.0,6.76,30.0,1.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,28.0,13.0,1.0,14.0,8.0
InChI%3D1S%2FC7H5NO4%2Fc9-7%2810%295-1-3-6%284-2-5%298%2811%2912%2Fh1-4H%2C%28H%2C9%2C10%29,12.0,0.0,2.0,0.0,56.0,0.4815,0.0,0.0,0.0,0.166666666666667,0.0,0.0,6.0,40.281,10.0833333333333,85.95,162.079996109009,4.296875,2.77777777777778,12.0,0.0,0.0,0.0,1.0,0.0,1.0,1.0,1.0,12.0,6.0,3.0,7.0,2.0
InChI%3D1S%2FC3H5NO%2Fc1-2-3%284%295%2Fh2H%2C1H2%2C%28H2%2C4%2C5%29,4.0,0.0,2.0,0.0,16.0,0.7077,0.0,1.0,0.0,0.25,0.0,0.0,0.0,20.5525,5.0,44.08,66.0389986038208,2.25,4.0,4.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,5.0,2.0,2.0,3.0,1.0
InChI%3D1S%2FC6H12N2O%2Fc1-6-4-2-3-5-8%286%297-9%2Fh6H%2C2-5H2%2C1H3,9.0,1.0,3.0,0.0,40.0,1.4801,0.0,0.0,0.0,0.111111111111111,0.0,1.0,0.0,33.5942,7.11111111111111,32.67,116.078997612,3.2396694214876,1.70414201183432,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,9.0,4.0,3.0,5.0,1.0
InChI%3D1S%2FC4H6O%2Fc1-2-3-4-5%2Fh2-4H%2C1H3,4.0,0.0,1.0,0.0,14.0,0.7614,0.0,0.0,0.0,0.25,0.0,0.0,0.0,20.878,5.0,17.07,64.0429983139038,4.0,4.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.0,3.0,1.0,4.0,1.0
InChI%3D1S%2FC15H17N5O%2Fc1-2-21-9-8-12-13%2811-6-4-3-5-7-11%2919-15%2816%2920-14%2812%2917-10-18-20%2Fh3-7%2C10H%2C2%2C8-9H2%2C1H3%2C%28H2%2C16%2C19%29,23.0,2.0,5.0,0.0,108.0,1.7829,0.0,0.0,0.0,0.217391304347826,0.0,0.0,16.0,78.8254,15.8790170132325,79.06,266.198994636536,7.51300728407908,3.50459707950243,23.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,21.0,9.0,4.0,10.0,5.0
InChI%3D1S%2FC14H19N3S%2Fc1-16%282%299-10-17%2812-13-6-5-11-18-13%2914-7-3-4-8-15-14%2Fh3-8%2C11H%2C9-10%2C12H2%2C1-2H3,19.0,2.0,3.0,0.0,86.0,1.2942,0.0,0.0,0.0,0.315789473684211,0.0,0.0,11.0,79.4177,14.409972299169,48.81,242.241996765137,7.55555555555556,4.89795918367347,19.0,1.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,18.0,7.0,2.0,8.0,6.0
InChI%3D1S%2FC3H6FN3O2%2Fc4-1-2-7%286-9%293%285%298%2Fh1-2H2%2C%28H2%2C5%2C8%29,8.0,0.0,5.0,1.0,34.0,0.4321,0.0,1.0,0.0,0.5,0.0,0.0,0.0,28.8315,9.0,76.75,129.049997329712,4.83950617283951,3.55555555555556,8.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,9.0,4.0,5.0,5.0,4.0
InChI%3D1S%2FC14H9Cl5%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13H,20.0,0.0,0.0,5.0,98.0,6.4955,0.0,0.0,0.0,0.15,0.0,0.0,12.0,85.037,15.39,0.0,345.418991088867,6.18549346016647,3.98615916955017,20.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,19.0,9.0,0.0,10.0,3.0
InChI%3D1S%2FC11H16N4O4%2Fc16-8-4-14%285-9%2817%2912-8%292-1-3-15-6-10%2818%2913-11%2819%297-15%2Fh1-7H2%2C%28H%2C12%2C16%2C17%29%28H%2C13%2C18%2C19%29,20.0,2.0,6.0,0.0,94.0,-1.8507,0.0,2.0,0.0,0.2,0.0,0.0,0.0,59.5068,15.39,108.2,252.144994735718,7.1358024691358,5.12,20.0,4.0,2.0,0.0,0.0,0.0,0.0,4.0,1.0,19.0,9.0,6.0,10.0,4.0
InChI%3D1S%2FC10H14N2O4S%2Fc1-9-3-5-10%286-4-9%2917%2814%2C15%2916-8-7-12%282%2911-13%2Fh3-6H%2C7-8H2%2C1-2H3,17.0,0.0,6.0,0.0,80.0,2.3943,0.0,0.0,2.0,0.352941176470588,0.0,0.0,6.0,62.786,15.0588235294118,84.42,244.186996459961,6.80529300567108,5.0176,17.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,17.0,10.0,6.0,11.0,6.0
InChI%3D1S%2FC18H16N2O7S2%2Fc1-10-7-11%282%2916%2828%2822%2C23%2924%298-14%2810%2919-20-15-9-17%2829%2825%2C26%2927%2912-5-3-4-6-13%2812%2918%2815%2921%2Fh3-9%2C19H%2C1-2H3%2C%28H%2C22%2C23%2C24%29%28H%2C25%2C26%2C27%29,31.0,0.0,9.0,0.0,158.0,3.9196,0.0,0.0,4.0,0.129032258064516,0.0,0.0,12.0,103.472,23.6586888657648,172.62,420.338994026184,8.859375,5.25777777777778,31.0,1.0,0.0,0.0,2.0,0.0,0.0,3.0,1.0,29.0,11.0,7.0,12.0,4.0
InChI%3D1S%2FC33H40N2O9%2Fc1-38-19-7-8-20-21-9-10-35-16-18-13-27%2844-32%2836%2917-11-25%2839-2%2930%2841-4%2926%2812-17%2940-3%2931%2842-5%2928%2833%2837%2943-6%2922%2818%2915-24%2835%2929%2821%2934-23%2820%2914-19%2Fh7-8%2C11-12%2C14%2C18%2C22%2C24%2C27-28%2C31%2C34H%2C9-10%2C13%2C15-16H2%2C1-6H3,49.0,3.0,9.0,0.0,242.0,4.3232,0.0,0.0,0.0,0.204081632653061,0.0,1.0,16.0,159.4301,33.884214910454,118.98,568.367985725403,14.6319444444444,6.43681025275899,49.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,44.0,19.0,9.0,20.0,10.0
InChI%3D1S%2FC9H6N2O2%2Fc12-11%2813%298-5-1-3-7-4-2-6-10-9%287%298%2Fh1-6H,14.0,1.0,1.0,0.0,66.0,2.6662,0.0,0.0,0.0,0.0714285714285714,0.0,0.0,11.0,50.565,9.55102040816327,58.71,168.110996246338,4.02216066481994,1.92,14.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,13.0,5.0,3.0,6.0,1.0
InChI%3D1S%2FC7H10N6O3%2Fc1-11-4-8-6%2812%282%299-15%295%2811%297%2814%2913%283%2910-16%2Fh4H%2C1-3H3,16.0,1.0,9.0,0.0,76.0,0.2911,0.0,0.0,0.0,0.3125,0.0,0.0,5.0,55.2945,14.0625,100.23,216.115996360779,6.07438016528926,3.02972651605232,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,16.0,7.0,8.0,8.0,5.0
InChI%3D1S%2FC15H11NO2%2Fc1-9%2817%2916-10-6-7-12-11-4-2-3-5-13%2811%2915%2818%2914%2812%298-10%2Fh2-8H%2C1H3%2C%28H%2C16%2C17%29,20.0,0.0,3.0,0.0,98.0,3.5059,0.0,1.0,0.0,0.05,0.0,0.0,12.0,70.7083,13.005,49.66,226.169994354248,5.17479191438763,2.4,20.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,18.0,8.0,3.0,9.0,1.0
InChI%3D1S%2FC16H16N2O4S%2Fc1-11%2819%2917-13-3-7-15%288-4-13%2923%2821%2C22%2916-9-5-14%286-10-16%2918-12%282%2920%2Fh3-10H%2C1-2H3%2C%28H%2C17%2C19%29%28H%2C18%2C20%29,24.0,0.0,6.0,0.0,116.0,4.816,0.0,2.0,2.0,0.166666666666667,0.0,0.0,12.0,89.1756,19.3263888888889,107.7,316.252994537354,8.39273356401384,5.5,24.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,23.0,13.0,6.0,14.0,4.0
InChI%3D1S%2FC15H32N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-14-15-17%282%2916-18%2Fh3-15H2%2C1-2H3,17.0,0.0,3.0,0.0,68.0,5.3007,0.0,0.0,0.0,0.823529411764706,0.0,12.0,0.0,79.503,18.0,32.67,224.177994728088,15.0588235294118,15.0,17.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,18.0,15.0,3.0,16.0,14.0
InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29,8.0,0.0,6.0,0.0,34.0,-0.5451,0.0,2.0,0.0,0.5,0.0,0.0,0.0,29.9423,9.0,96.98,126.05099773407,4.83950617283951,3.55555555555556,8.0,3.0,1.0,0.0,0.0,0.0,0.0,3.0,1.0,9.0,4.0,6.0,5.0,4.0
InChI%3D1S%2FC7H8%2Fc1-7-5-3-2-4-6-7%2Fh2-6H%2C1H3,7.0,0.0,0.0,0.0,30.0,1.995,0.0,0.0,0.0,0.0,0.0,0.0,6.0,31.179,5.14285714285714,0.0,84.076997756958,2.34375,1.5,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,7.0,3.0,0.0,4.0,0.0
InChI%3D1S%2FC19H27NO6%2Fc1-5-13-10-12%282%2919%283%2C24%2918%2823%2925-11-14-6-8-20%284%299-7-15%2816%2814%2921%2926-17%2813%2922%2Fh5-6%2C12%2C15%2C24H%2C7-11H2%2C1-4H3,27.0,2.0,6.0,0.0,132.0,1.1616,0.0,1.0,0.0,0.0,0.0,1.0,0.0,92.9477,22.2908093278464,94.34,338.209991455078,9.46745562130178,5.51770095793419,27.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,26.0,9.0,6.0,10.0,0.0
InChI%3D1S%2FC2H6N2O%2Fc1-3-4%282%295%2Fh1-2H3,4.0,0.0,2.0,0.0,16.0,0.7317,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.071,5.0,41.11,68.0349988937378,2.25,4.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.0,2.0,2.0,3.0,0.0
InChI%3D1S%2FC14H19Cl2NO2%2Fc15-8-10-17%2811-9-16%2913-6-4-12%285-7-13%292-1-3-14%2818%2919%2Fh4-7H%2C1-3%2C8-11H2%2C%28H%2C18%2C19%29,19.0,0.0,3.0,2.0,84.0,2.0432,0.0,0.0,0.0,0.473684210526316,0.0,0.0,6.0,78.7265,17.0526315789474,43.37,285.064992904663,9.83364839319471,6.81656804733728,19.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,1.0,19.0,11.0,2.0,12.0,9.0
InChI%3D1S%2FC9H8N4O2S%2Fc1-13%2812-15%299%2814%2911-8-10-6-4-2-3-5-7%286%2916-8%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%2C14%29,17.0,1.0,7.0,0.0,80.0,2.455,0.0,1.0,0.0,0.176470588235294,0.0,0.0,10.0,62.9018,12.4567474048443,106.39,228.191997528076,5.55765595463138,3.02972651605232,17.0,1.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,16.0,8.0,6.0,9.0,3.0
InChI%3D1S%2FC4H6N2S%2Fc1-6-3-2-5-4%286%297%2Fh2-3H%2C1H3%2C%28H%2C5%2C7%29,7.0,1.0,3.0,0.0,32.0,0.7088,0.0,0.0,0.0,0.0,0.0,0.0,5.0,30.46,5.14285714285714,56.62,108.125,1.85185185185185,0.96,7.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,7.0,2.0,2.0,3.0,0.0
InChI%3D1S%2FC7H6O3%2Fc8-5-1-2-6-7%283-5%2910-4-9-6%2Fh1-3%2C8H%2C4H2,11.0,1.0,3.0,0.0,52.0,1.1209,0.0,0.0,0.0,0.0,0.0,0.0,6.0,34.2298,6.69421487603306,38.69,132.073996543884,2.56,1.2409972299169,11.0,1.0,0.0,1.0,0.0,0.0,0.0,1.0,1.0,10.0,4.0,3.0,5.0,0.0
InChI%3D1S%2FC12H11NO2%2Fc1-13-12%2814%2915-11-8-4-6-9-5-2-3-7-10%289%2911%2Fh2-8H%2C1H3%2C%28H%2C13%2C14%29,16.0,0.0,3.0,0.0,74.0,2.7624,0.0,1.0,0.0,0.125,0.0,0.0,11.0,60.5638,11.484375,41.82,190.136995315552,5.36507936507936,2.76543209876543,16.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,15.0,7.0,3.0,8.0,2.0
InChI%3D1S%2FC6H5Cl%2Fc7-6-4-2-1-3-5-6%2Fh1-5H,7.0,0.0,0.0,1.0,30.0,2.34,0.0,0.0,0.0,0.0,0.0,0.0,6.0,31.452,5.14285714285714,0.0,107.518997192383,2.34375,1.5,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,7.0,3.0,0.0,4.0,0.0
InChI%3D1S%2FC9H14N8S3%2Fc10-6-7%2817-20-16-6%2913-1-2-18-3-5-4-19-9%2814-5%2915-8%2811%2912%2Fh4H%2C1-3H2%2C%28H2%2C10%2C16%29%28H%2C13%2C17%29%28H4%2C11%2C12%2C14%2C15%29,21.0,2.0,11.0,0.0,96.0,1.2275,0.0,0.0,0.0,0.380952380952381,0.0,0.0,10.0,86.6239,16.3718820861678,220.4,316.356000900269,8.44444444444444,5.7315296566077,21.0,5.0,2.0,0.0,0.0,0.0,0.0,3.0,1.0,20.0,12.0,9.0,13.0,8.0
InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29,9.0,0.0,3.0,0.0,38.0,-1.51,0.0,0.0,0.0,0.555555555555556,0.0,0.0,0.0,42.1196,10.0,93.07,150.137998580933,5.76,5.53086419753086,9.0,1.0,0.0,0.0,1.0,0.0,0.0,1.0,1.0,10.0,6.0,2.0,7.0,5.0
InChI%3D1S%2FC34H27N9O7S2%2Fc35-22-10-15-27%2826%2836%2918-22%2941-38-24-11-6-19%287-12-24%2920-8-13-25%2814-9-20%2940-42-32-28%2851%2845%2C46%2947%2916-21-17-29%2852%2848%2C49%2950%2933%2834%2844%2930%2821%2931%2832%2937%2943-39-23-4-2-1-3-5-23%2Fh1-18%2C39H%2C35-37H2%2C%28H%2C45%2C46%2C47%29%28H%2C48%2C49%2C50%29,57.0,0.0,16.0,0.0,282.0,8.5472,0.0,0.0,4.0,0.157894736842105,0.0,0.0,30.0,193.9072,41.6288088642659,300.12,710.563988685608,18.0697278911565,10.5024005486968,57.0,4.0,0.0,0.0,2.0,0.0,0.0,3.0,1.0,52.0,26.0,14.0,27.0,9.0
InChI%3D1S%2FC19H29N5O2%2Fc1-23-19%2821-18%2815-25%2922-23%2920-9-6-12-26-17-8-5-7-16%2813-17%2914-24-10-3-2-4-11-24%2Fh5%2C7-8%2C13%2C25H%2C2-4%2C6%2C9-12%2C14-15H2%2C1H3%2C%28H%2C20%2C21%2C22%29,28.0,2.0,5.0,0.0,128.0,1.7483,0.0,1.0,0.0,0.285714285714286,0.0,1.0,11.0,98.3364,20.7270408163265,79.87,330.241992950439,11.1111111111111,6.84297520661157,28.0,3.0,1.0,0.0,0.0,0.0,0.0,3.0,1.0,26.0,16.0,4.0,17.0,8.0
InChI%3D1S%2FC9H16N2O2S2%2Fc14-9%2810-1-5-12-6-2-10%2915-11-3-7-13-8-4-11%2Fh1-8H2,16.0,2.0,6.0,0.0,72.0,0.4597,0.0,0.0,0.0,0.1875,0.0,0.0,0.0,60.5334,11.484375,82.33,232.244998931885,5.915,3.5,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,15.0,8.0,6.0,9.0,3.0
InChI%3D1S%2FC5H8%2Fc1-4-5%282%293%2Fh4H%2C1-2H2%2C3H3,4.0,0.0,0.0,0.0,16.0,1.7485,0.0,0.0,0.0,0.25,0.0,0.0,0.0,25.011,5.0,0.0,60.0549983978271,2.25,4.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.0,2.0,0.0,3.0,1.0
InChI%3D1S%2FC16H23NO6%2Fc1-9-13%2818%2923-11-5-7-17-6-4-10%2812%2811%2917%298-22-14%2819%2916%283%2C21%2915%289%2C2%2920%2Fh4%2C9%2C11-12%2C20-21H%2C5-8H2%2C1-3H3,25.0,3.0,6.0,0.0,130.0,-0.240499999999999,0.0,2.0,0.0,0.0,0.0,1.0,0.0,78.0545,17.8112,97.5,302.176992416382,6.06375,2.80612244897959,25.0,3.0,1.0,0.0,0.0,0.0,0.0,3.0,1.0,23.0,7.0,6.0,8.0,0.0
InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3,10.0,0.0,1.0,0.0,48.0,2.194,0.0,0.0,0.0,0.0,0.0,0.0,6.0,45.0654,8.1,26.02,122.105997085571,2.93877551020408,1.75,10.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,10.0,4.0,1.0,5.0,0.0
InChI%3D1S%2FC4H6O2%2Fc1-3-6-4%282%295%2Fh3H%2C1H2%2C2H3,5.0,0.0,2.0,0.0,20.0,0.693,0.0,0.0,0.0,0.4,0.0,0.0,0.0,21.963,6.0,26.3,80.0419979095459,3.2,5.33333333333333,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,6.0,3.0,2.0,4.0,2.0
InChI%3D1S%2FC6H9NO6%2Fc8-4%289%291-7%282-5%2810%2911%293-6%2812%2913%2Fh1-3H2%2C%28H%2C8%2C9%29%28H%2C10%2C11%29%28H%2C12%2C13%29,12.0,0.0,6.0,0.0,54.0,-6.879,0.0,0.0,0.0,0.5,0.0,0.0,0.0,34.7782,13.0,124.83,182.066995620728,6.45333333333333,8.33333333333333,12.0,1.0,1.0,0.0,3.0,0.0,0.0,4.0,1.0,13.0,5.0,3.0,6.0,6.0
InChI%3D1S%2FC11H10N4%2Fc1-7-3-2-6-15-10%287%2913-8-4-5-9%2812%2914-11%288%2915%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29,17.0,3.0,3.0,0.0,84.0,1.6035,0.0,0.0,0.0,0.0,0.0,0.0,15.0,57.6404,10.1730103806228,56.94,188.148996353149,3.7856,1.64571428571429,17.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,15.0,6.0,2.0,7.0,0.0
InChI%3D1S%2FC4H7F3N2O%2Fc1-2-9%288-10%293-4%285%2C6%297%2Fh2-3H2%2C1H3,9.0,0.0,3.0,3.0,42.0,1.552,0.0,0.0,0.0,0.444444444444444,0.0,0.0,0.0,29.097,10.0,32.67,149.050995826721,4.0,5.53086419753086,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,10.0,4.0,3.0,5.0,4.0
InChI%3D1S%2FC6H12N2O3%2Fc1-8%282%297-5%289%293-4-6%2810%2911%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C9%29%28H%2C10%2C11%29,10.0,0.0,5.0,0.0,44.0,-1.0504,0.0,1.0,0.0,0.4,0.0,0.0,0.0,38.6783,11.0,75.96,148.076996803284,5.625,7.90123456790123,10.0,1.0,0.0,0.0,1.0,0.0,0.0,2.0,1.0,11.0,6.0,4.0,7.0,4.0
InChI%3D1S%2FC11H17F3N6O%2Fc12-11%2813%2C14%297-17-10%2816%2918-9-4-6-20%2819-9%295-2-1-3-8%2815%2921%2Fh4%2C6H%2C1-3%2C5%2C7H2%2C%28H2%2C15%2C21%29%28H3%2C16%2C17%2C18%2C19%29,21.0,1.0,6.0,3.0,98.0,1.5092,0.0,1.0,0.0,0.428571428571429,0.0,1.0,5.0,70.3366,19.047619047619,113.04,289.155993461609,9.20918367346939,9.58579881656805,21.0,5.0,2.0,0.0,0.0,0.0,0.0,5.0,1.0,21.0,13.0,5.0,14.0,9.0
InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,10.0,0.0,1.0,3.0,48.0,3.3524,0.0,0.0,0.0,0.0,0.0,0.0,6.0,43.1368,8.1,20.23,194.423995018005,2.93877551020408,1.75,10.0,1.0,0.0,1.0,0.0,0.0,0.0,1.0,1.0,10.0,4.0,1.0,5.0,0.0
InChI%3D1S%2FC3H4O2%2Fc4-3-1-2-5-3%2Fh1-2H2,5.0,1.0,2.0,0.0,22.0,-0.0667,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.576,3.2,26.3,68.0309982299805,1.0,0.444444444444444,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.0,2.0,2.0,3.0,0.0
InChI%3D1S%2FC12H11N3%2Fc1-7-6-9-8-4-2-3-5-10%288%2914-12%289%2915-11%287%2913%2Fh2-6H%2C1H3%2C%28H3%2C13%2C14%2C15%29,17.0,2.0,1.0,0.0,84.0,2.4371,0.0,0.0,0.0,0.0,0.0,0.0,15.0,60.7471,10.1730103806228,55.43,186.152996063232,3.7856,1.64571428571429,17.0,3.0,0.0,0.0,0.0,0.0,0.0,3.0,1.0,15.0,6.0,1.0,7.0,0.0
InChI%3D1S%2FC14H15N3O2%2Fc1-14%282%299-7-8%283-4-11%289%2915-13%2814%2919%2910-5-6-12%2818%2917-16-10%2Fh3-4%2C7H%2C5-6H2%2C1-2H3%2C%28H%2C15%2C19%29%28H%2C17%2C18%29,21.0,2.0,5.0,0.0,106.0,1.327,0.0,2.0,0.0,0.0476190476190476,0.0,0.0,6.0,66.6002,13.9591836734694,77.54,242.172994613647,5.080078125,2.49215792320173,21.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,19.0,9.0,5.0,10.0,1.0
InChI%3D1S%2FC21H28O5%2Fc1-19-7-5-13%2823%299-12%2819%293-4-14-15-6-8-21%2826%2C17%2825%2911-22%2920%2815%2C2%2910-16%2824%2918%2814%2919%2Fh5%2C7%2C9%2C14-16%2C18%2C22%2C24%2C26H%2C3-4%2C6%2C8%2C10-11H2%2C1-2H3,29.0,0.0,5.0,0.0,154.0,1.5576,0.0,3.0,0.0,0.0689655172413793,0.0,6.0,0.0,95.0484,19.3222354340071,94.83,332.225991249084,6.25,2.48601989116157,29.0,3.0,0.0,0.0,0.0,0.0,0.0,3.0,1.0,26.0,11.0,5.0,12.0,2.0
InChI%3D1S%2FC12H9N3O3S%2Fc16-12-7-3-1-2-4-8%287%2913-11%2814-12%299-5-6-10%2819-9%2915%2817%2918%2Fh1-6%2C11%2C13H%2C%28H%2C14%2C16%29,21.0,2.0,4.0,0.0,102.0,3.182,0.0,1.0,0.0,0.0952380952380952,0.0,0.0,11.0,68.9229,13.9591836734694,118.68,266.216996192932,5.78,2.88,21.0,2.0,0.0,0.0,0.0,0.0,1.0,2.0,1.0,19.0,9.0,5.0,10.0,2.0
InChI%3D1S%2FC16H14N4O3S%2Fc21-20%2822%2914-6-5-13%2824-14%2915-17-12-4-2-1-3-11%2812%2916%2818-15%2919-7-9-23-10-8-19%2Fh1-6H%2C7-10H2,27.0,3.0,5.0,0.0,130.0,3.6913,0.0,0.0,0.0,0.111111111111111,0.0,0.0,16.0,91.5052,17.4156378600823,112.31,328.267994880676,7.70914127423823,3.75887573964497,27.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,24.0,10.0,6.0,11.0,3.0
InChI%3D1S%2FC2H5NO2%2Fc3-1-2%284%295%2Fh1%2C3H2%2C%28H%2C4%2C5%29,4.0,0.0,2.0,0.0,16.0,-3.0218,0.0,0.0,0.0,0.25,0.0,0.0,0.0,15.5826,5.0,67.77,70.0269985198975,2.25,4.0,4.0,1.0,0.0,0.0,1.0,0.0,0.0,1.0,1.0,5.0,2.0,1.0,3.0,1.0
InChI%3D1S%2FC5H7N3O2%2Fc1-4-6-3-5%287%284%292%298%289%2910%2Fh3H%2C1-2H3,10.0,1.0,2.0,0.0,48.0,1.1599,0.0,0.0,0.0,0.1,0.0,0.0,5.0,36.767,8.1,63.64,134.073997497559,2.93877551020408,1.55017301038062,10.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,10.0,4.0,3.0,5.0,1.0
InChI%3D1S%2FC10HCl11%2Fc11-2-1-3%2812%295%2814%294%281%2C13%2910%2820%2C21%297%282%2C16%298%285%2C17%296%282%2C15%299%283%2C18%2919%2Fh1H,25.0,0.0,0.0,11.0,164.0,5.8616,0.0,0.0,0.0,0.0,0.0,0.0,0.0,92.452,13.44,0.0,510.092987060547,2.22222222222222,0.473372781065089,25.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,21.0,5.0,0.0,6.0,0.0
InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3,4.0,0.0,3.0,0.0,16.0,0.2294,0.0,0.0,0.0,0.25,0.0,0.0,0.0,19.482,5.0,32.67,68.0349988937378,2.25,4.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.0,2.0,3.0,3.0,1.0
InChI%3D1S%2FC6H18N3OP%2Fc1-7%282%2911%2810%2C8%283%294%299%285%296%2Fh1-6H3,10.0,0.0,4.0,0.0,50.0,0.7793,0.0,0.0,0.0,0.3,0.0,0.0,0.0,48.6675,11.0,36.6,161.059998512268,3.6,1.97530864197531,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,11.0,3.0,4.0,4.0,3.0
InChI%3D1S%2FC6H10N6O%2Fc1-12%282%2911-10-6-4%285%287%2913%298-3-9-6%2Fh3H%2C1-2H3%2C%28H2%2C7%2C13%29%28H%2C8%2C9%29,13.0,1.0,6.0,0.0,60.0,0.0689000000000001,0.0,0.0,0.0,0.230769230769231,0.0,0.0,5.0,45.3086,11.0769230769231,99.73,172.106997489929,5.0242214532872,3.32409972299169,13.0,2.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,13.0,6.0,6.0,7.0,3.0
InChI%3D1S%2FC35H45Cl2NO6%2Fc1-33-14-12-26%2839%2920-24%2833%298-11-27-28-13-15-35%2843%2C34%2828%2C2%2921-29%2840%2932%2827%2933%2930%2841%2922-44-31%2842%295-3-4-23-6-9-25%2810-7-23%2938%2818-16-36%2919-17-37%2Fh6-7%2C9-10%2C12%2C14%2C20%2C27-29%2C32%2C40%2C43H%2C3-5%2C8%2C11%2C13%2C15-19%2C21-22H2%2C1-2H3,48.0,0.0,7.0,2.0,240.0,5.41540000000001,0.0,2.0,0.0,0.270833333333333,0.0,6.0,6.0,171.9546,35.3107638888889,104.14,601.291984558105,14.6319444444444,6.95155709342561,48.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,44.0,23.0,7.0,24.0,13.0
InChI%3D1S%2FC8Cl4N2%2Fc9-5-3%281-13%296%2810%298%2812%297%2811%294%285%292-14,14.0,0.0,2.0,4.0,68.0,4.04356,0.0,0.0,0.0,0.0,0.0,0.0,6.0,55.912,12.0714285714286,47.58,265.913993835449,4.68,2.02040816326531,14.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,14.0,5.0,2.0,6.0,0.0
InChI%3D1S%2FC6H14N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh5-6%2C9-10H%2C3-4H2%2C1-2H3,10.0,0.0,5.0,0.0,44.0,-0.2686,0.0,2.0,0.0,0.5,0.0,0.0,0.0,40.7296,11.0,73.13,148.076996803284,5.625,6.4,10.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,11.0,5.0,5.0,6.0,5.0
InChI%3D1S%2FC12H9NO2%2Fc14-13%2815%2911-7-6-9-5-4-8-2-1-3-10%2811%2912%288%299%2Fh1-3%2C6-7H%2C4-5H2,17.0,0.0,0.0,0.0,84.0,3.3698,0.0,0.0,0.0,0.0588235294117647,0.0,0.0,11.0,60.178,10.1730103806228,45.82,190.136995315552,3.7856,1.55555555555556,17.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,15.0,5.0,2.0,6.0,1.0
InChI%3D1S%2FC5H10ClN3O3%2Fc6-1-2-7-5%2811%299%288-12%293-4-10%2Fh10H%2C1-4H2%2C%28H%2C7%2C11%29,11.0,0.0,6.0,1.0,46.0,0.1149,0.0,2.0,0.0,0.545454545454545,0.0,0.0,0.0,45.2376,12.0,85.49,185.525996208191,7.63888888888889,5.32544378698225,11.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,12.0,7.0,6.0,8.0,6.0
InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29,5.0,0.0,3.0,0.0,20.0,0.5157,0.0,1.0,0.0,0.4,0.0,0.0,0.0,21.9815,6.0,53.31,82.0379981994629,3.2,5.33333333333333,5.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,6.0,3.0,3.0,4.0,2.0
InChI%3D1S%2FC4H8O%2Fc1-2-4-3-5-4%2Fh4H%2C2-3H2%2C1H3,5.0,1.0,1.0,0.0,22.0,0.7952,0.0,0.0,0.0,0.2,0.0,1.0,0.0,20.031,3.2,12.53,64.0429983139038,1.0,0.326530612244898,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.0,2.0,1.0,3.0,1.0
InChI%3D1S%2FC18H18Cl2N2O3%2Fc1-24-15-7-6-11%288-16%2815%2925-12-4-2-3-5-12%2918%2823%2922-17-13%2819%299-21-10-14%2817%2920%2Fh6-10%2C12H%2C2-5H2%2C1H3%2C%28H%2C21%2C22%2C23%29,27.0,1.0,4.0,2.0,128.0,4.3926,0.0,0.0,0.0,0.185185185185185,0.0,2.0,12.0,96.5842,19.7530864197531,63.68,363.114991188049,9.27392257121987,5.04166666666667,27.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,25.0,11.0,4.0,12.0,5.0
InChI%3D1S%2FC6H6N2O2%2Fc9-7-5-1-2-6%288-10%294-3-5%2Fh1-4%2C7%2C9H,10.0,0.0,4.0,0.0,44.0,1.8856,0.0,0.0,0.0,0.2,0.0,0.0,6.0,37.3062,8.1,61.69,132.077997207642,4.0,2.28571428571429,10.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,10.0,6.0,4.0,7.0,2.0
InChI%3D1S%2FC4H6N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-2H%2C3-4H2,8.0,1.0,4.0,0.0,34.0,0.4091,0.0,0.0,0.0,0.125,0.0,0.0,0.0,25.3732,6.125,41.9,108.055997848511,3.11111111111111,1.8,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,4.0,4.0,5.0,1.0
InChI%3D1S%2FC21H16%2Fc1-13-6-7-15-12-20-17-5-3-2-4-14%2817%298-9-18%2820%2919-11-10-16%2813%2921%2815%2919%2Fh2-9%2C12H%2C10-11H2%2C1H3,25.0,0.0,0.0,0.0,126.0,5.5532,0.0,0.0,0.0,0.0,0.0,0.0,21.0,91.105,13.44,0.0,252.230993270874,5.0,1.92627824019025,25.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,21.0,9.0,0.0,10.0,0.0
InChI%3D1S%2FC7H7N3O2%2Fc1-10%289-12%297-4-2-6%288-11%293-5-7%2Fh2-5H%2C1H3,12.0,0.0,5.0,0.0,54.0,2.2021,0.0,0.0,0.0,0.25,0.0,0.0,6.0,46.095,10.0833333333333,62.1,158.095996856689,4.88888888888889,2.77777777777778,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,12.0,7.0,5.0,8.0,3.0
InChI%3D1S%2FC12H13N3O2%2Fc16-9-7-8%2813-1-2-13%2912%2817%2911%2815-5-6-15%2910%289%2914-3-4-14%2Fh7H%2C1-6H2,20.0,3.0,5.0,0.0,102.0,-1.0058,0.0,0.0,0.0,0.15,0.0,0.0,0.0,53.1826,10.88,43.17,218.150995254517,3.74609781477627,1.41964689904934,20.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,17.0,6.0,5.0,7.0,3.0
InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3,9.0,0.0,2.0,0.0,38.0,1.7617,0.0,0.0,0.0,0.555555555555556,0.0,3.0,0.0,40.611,10.0,26.3,128.085996627808,5.76,7.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,10.0,6.0,2.0,7.0,5.0
InChI%3D1S%2FC9H4F3N3O4S%2Fc10-9%2811%2C12%297%2816%2914-8-13-4%283-20-8%295-1-2-6%2819-5%2915%2817%2918%2Fh1-3H%2C%28H%2C13%2C14%2C16%29,21.0,2.0,5.0,3.0,104.0,3.9848,0.0,1.0,0.0,0.19047619047619,0.0,0.0,10.0,64.4168,16.3718820861678,132.68,303.17699432373,6.40582726326743,4.25,21.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,1.0,20.0,10.0,5.0,11.0,4.0
InChI%3D1S%2FC9H8Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-2%2C5-6H%2C3-4H2,17.0,1.0,4.0,3.0,86.0,2.8514,0.0,0.0,0.0,0.117647058823529,0.0,0.0,0.0,62.8682,12.4567474048443,62.68,292.5299949646,4.3491124260355,2.48828125,17.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,16.0,6.0,4.0,7.0,2.0
InChI%3D1S%2FC2H6O%2Fc1-2-3%2Fh3H%2C2H2%2C1H3,2.0,0.0,1.0,0.0,6.0,-0.00140000000000001,0.0,1.0,0.0,0.0,0.0,0.0,0.0,12.7598,3.0,20.23,40.0209989547729,2.0,0.0,2.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,3.0,1.0,1.0,2.0,0.0
InChI%3D1S%2FC18H23NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C14-15%2C20%2C23H%2C2%2C5-10H2%2C1H3,27.0,3.0,6.0,0.0,134.0,0.2374,0.0,2.0,0.0,0.037037037037037,0.0,0.0,0.0,87.1925,19.7530864197531,97.5,326.198991775513,7.935,3.70408163265306,27.0,3.0,1.0,0.0,0.0,0.0,0.0,3.0,1.0,25.0,8.0,6.0,9.0,1.0
InChI%3D1S%2FC12H12N2%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C13-14H2,15.0,0.0,2.0,0.0,70.0,2.518,0.0,0.0,0.0,0.0666666666666667,0.0,0.0,12.0,60.7028,10.5155555555556,52.04,172.14599609375,4.68,2.75,15.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,14.0,8.0,2.0,9.0,1.0
InChI%3D1S%2FC32H24N6O16S4%2Fc33-19-11-17%2855%2843%2C44%2945%295-15-9-25%2857%2849%2C50%2951%2929%2831%2841%2927%2815%2919%2937-35-21-3-1-13%287-23%2821%2939%2914-2-4-22%2824%2840%298-14%2936-38-30-26%2858%2852%2C53%2954%2910-16-6-18%2856%2846%2C47%2948%2912-20%2834%2928%2816%2932%2830%2942%2Fh1-12%2C35-36%2C39-40H%2C33-34H2%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29,63.0,0.0,22.0,0.0,326.0,5.1616,0.0,0.0,8.0,0.142857142857143,0.0,0.0,24.0,199.1444,47.4784580498866,437.74,852.645988464355,17.8752,10.52734375,63.0,6.0,0.0,2.0,4.0,0.0,0.0,8.0,1.0,58.0,26.0,18.0,27.0,9.0
InChI%3D1S%2FC19H17N3%2Fc20-16-7-1-13%282-8-16%2919%2814-3-9-17%2821%2910-4-14%2915-5-11-18%2822%2912-6-15%2Fh1-12%2C20H%2C21-22H2,24.0,0.0,3.0,0.0,114.0,3.7987,0.0,0.0,0.0,0.0833333333333333,0.0,0.0,12.0,93.7375,16.84375,75.89,270.22999382019,7.71349862258953,4.30839002267574,24.0,3.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,22.0,9.0,3.0,10.0,2.0
InChI%3D1S%2FC5H9NO%2Fc7-6-5-3-1-2-4-5%2Fh7H%2C1-4H2,7.0,0.0,2.0,0.0,30.0,1.3906,0.0,0.0,0.0,0.0,0.0,2.0,0.0,27.6895,5.14285714285714,32.59,90.0609979629517,2.34375,1.18518518518519,7.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,7.0,3.0,2.0,4.0,0.0
InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,16.0,0.0,3.0,0.0,74.0,2.6433,0.0,0.0,0.0,0.125,0.0,0.0,12.0,61.7828,11.484375,61.27,188.144995689392,5.36507936507936,3.5,16.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,15.0,9.0,3.0,10.0,2.0
InChI%3D1S%2FC13H11NO2%2Fc1-15-13-6-9-8-4-2-3-5-11%288%2916-12%289%297-10%2813%2914%2Fh2-7H%2C14H2%2C1H3,18.0,1.0,3.0,0.0,88.0,3.1768,0.0,0.0,0.0,0.0555555555555556,0.0,0.0,15.0,64.6844,11.1111111111111,48.39,202.147994995117,4.3491124260355,1.86121256391527,18.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,16.0,7.0,2.0,8.0,1.0
InChI%3D1S%2FC12H10N2O%2Fc15-13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,16.0,0.0,2.0,0.0,72.0,3.5061,0.0,0.0,0.0,0.1875,0.0,0.0,12.0,60.818,11.484375,32.67,188.144995689392,5.915,2.98224852071006,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,15.0,7.0,3.0,8.0,3.0
InChI%3D1S%2FC10H10N2%2Fc11-9-5-1-3-7-8%289%294-2-6-10%287%2912%2Fh1-6H%2C11-12H2,13.0,0.0,2.0,0.0,62.0,2.0042,0.0,0.0,0.0,0.0,0.0,0.0,11.0,52.7728,8.59171597633136,52.04,148.123996734619,3.39506172839506,1.5625,13.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,12.0,4.0,2.0,5.0,0.0
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3,5.0,0.0,2.0,0.0,20.0,1.2465,0.0,0.0,0.0,0.2,0.0,1.0,0.0,25.1865,6.0,32.59,78.0499982833862,3.2,3.0,5.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,6.0,3.0,2.0,4.0,1.0
InChI%3D1S%2FC17H20N2O%2Fc1-18%282%2915-9-5-13%286-10-15%2917%2820%2914-7-11-16%2812-8-14%2919%283%294%2Fh5-12H%2C1-4H3,21.0,0.0,3.0,0.0,100.0,3.0496,0.0,0.0,0.0,0.19047619047619,0.0,0.0,12.0,84.9705,16.3718820861678,23.55,248.199994087219,7.31985731272295,4.25,21.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,20.0,11.0,3.0,12.0,4.0
InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3,2.0,0.0,1.0,0.0,6.0,0.2052,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.738,3.0,17.07,40.0209989547729,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,3.0,1.0,1.0,2.0,0.0
InChI%3D1S%2FC2H3Cl2F%2Fc1-2%283%2C4%295%2Fh1H3,4.0,0.0,0.0,3.0,20.0,2.1072,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.219,5.0,0.0,113.925996780396,1.0,0.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.0,1.0,0.0,2.0,0.0
InChI%3D1S%2FC8H18N2O2%2Fc1-2-3-6-10%289-12%297-4-5-8-11%2Fh11H%2C2-8H2%2C1H3,11.0,0.0,4.0,0.0,44.0,1.5424,0.0,1.0,0.0,0.727272727272727,0.0,2.0,0.0,48.5958,12.0,52.9,156.099996566772,9.09090909090909,7.43801652892562,11.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,12.0,8.0,4.0,9.0,8.0
InChI%3D1S%2FC12H19N3O%2Fc1-9%282%2915-12%2816%2911-6-4-10%285-7-11%298-14-13-3%2Fh4-7%2C9%2C13-14H%2C8H2%2C1-3H3%2C%28H%2C15%2C16%29,16.0,0.0,4.0,0.0,72.0,1.0488,0.0,0.0,0.0,0.375,0.0,0.0,6.0,64.9436,14.0625,53.16,202.151995658875,7.35,5.26446280991736,16.0,3.0,0.0,0.0,0.0,0.0,0.0,3.0,1.0,16.0,10.0,4.0,11.0,6.0
InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3,9.0,0.0,1.0,0.0,40.0,1.7526,0.0,0.0,0.0,0.111111111111111,0.0,0.0,6.0,40.769,7.11111111111111,3.24,110.094997406006,3.2396694214876,2.0,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,9.0,4.0,1.0,5.0,1.0
InChI%3D1S%2FC12H8O4%2Fc1-14-12-10-8%284-5-15-10%296-7-2-3-9%2813%2916-11%287%2912%2Fh2-6H%2C1H3,18.0,2.0,4.0,0.0,88.0,2.5478,0.0,0.0,0.0,0.0555555555555556,0.0,0.0,15.0,58.808,11.1111111111111,52.58,208.127994537354,4.3491124260355,1.86121256391527,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,16.0,6.0,2.0,7.0,1.0
InChI%3D1S%2FC4H7N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2H%2C1%2C3H2%2C%28H2%2C5%2C8%29,8.0,0.0,5.0,0.0,34.0,0.6486,0.0,1.0,0.0,0.5,0.0,0.0,0.0,33.0535,9.0,76.75,122.062997817993,4.83950617283951,3.55555555555556,8.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,9.0,4.0,5.0,5.0,4.0
InChI%3D1S%2FC5H10N2O3%2Fc1-3-7%286-9%295%288%2910-4-2%2Fh3-4H2%2C1-2H3,9.0,0.0,5.0,0.0,38.0,1.1462,0.0,0.0,0.0,0.555555555555556,0.0,0.0,0.0,35.197,10.0,58.97,136.065997123718,5.76,3.70247933884298,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,10.0,5.0,5.0,6.0,5.0
InChI%3D1S%2FC10H10N4O3S%2Fc1-6%282%2912-13-10-11-7%285-18-10%298-3-4-9%2817-8%2914%2815%2916%2Fh3-5H%2C1-2H3%2C%28H%2C11%2C13%29,19.0,2.0,5.0,0.0,90.0,3.6422,0.0,0.0,0.0,0.210526315789474,0.0,0.0,10.0,71.0437,14.409972299169,124.48,256.201996803284,6.43786982248521,3.99583766909469,19.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,1.0,18.0,10.0,5.0,11.0,4.0
InChI%3D1S%2FC20H18ClNO6%2Fc1-10-7-12-14%2821%299-13%2817%2823%2916%2812%2920%2827%2928-10%2918%2824%2922-15%2819%2825%2926%298-11-5-3-2-4-6-11%2Fh2-6%2C9-10%2C15%2C23H%2C7-8H2%2C1H3%2C%28H%2C22%2C24%29%28H%2C25%2C26%29,30.0,1.0,7.0,1.0,146.0,1.8128,0.0,1.0,0.0,0.166666666666667,0.0,0.0,12.0,100.4916,22.68,119.25,385.673990249634,9.87128177393186,5.3890306122449,30.0,2.0,0.0,1.0,1.0,0.0,0.0,3.0,1.0,28.0,13.0,6.0,14.0,5.0
InChI%3D1S%2FC4H10N2O3%2Fc1-6%285-9%292-4%288%293-7%2Fh4%2C7-8H%2C2-3H2%2C1H3,8.0,0.0,5.0,0.0,34.0,-1.0472,0.0,2.0,0.0,0.5,0.0,0.0,0.0,31.5176,9.0,73.13,124.054997444153,4.83950617283951,4.5,8.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,9.0,5.0,5.0,6.0,4.0
InChI%3D1S%2FC11H11N5%2Fc1-6-5-13-7-3-4-8-10%289%287%2914-6%2915-11%2812%2916%288%292%2Fh3-5H%2C1-2H3%2C%28H2%2C12%2C15%29,18.0,2.0,4.0,0.0,90.0,1.2375,0.0,0.0,0.0,0.0,0.0,0.0,15.0,60.9574,11.1111111111111,70.35,202.155996322632,4.03292181069959,1.76454293628809,18.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,16.0,6.0,3.0,7.0,0.0
InChI%3D1S%2FC5H10Br2O2%2Fc6-1-5%282-7%2C3-8%294-9%2Fh8-9H%2C1-4H2,8.0,0.0,2.0,2.0,36.0,0.7472,0.0,2.0,0.0,0.5,0.0,0.0,0.0,44.1926,9.0,40.46,251.860996246338,3.92,2.0,8.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,9.0,3.0,2.0,4.0,4.0
InChI%3D1S%2FC16H16N4O4S%2Fc21-9-7-19%288-10-22%2916-11-3-1-2-4-12%2811%2917-15%2818-16%2913-5-6-14%2825-13%2920%2823%2924%2Fh1-6%2C21-22H%2C7-10H2,27.0,2.0,6.0,0.0,128.0,2.5807,0.0,2.0,0.0,0.259259259259259,0.0,0.0,16.0,98.0576,19.7530864197531,143.54,344.266994476318,9.27392257121987,4.6464,27.0,2.0,0.0,0.0,0.0,0.0,1.0,2.0,1.0,25.0,10.0,7.0,11.0,7.0
InChI%3D1S%2FC6H4N4O4%2Fc7-6-9-8-5%2814-6%293-1-2-4%2813-3%2910%2811%2912%2Fh1-2H%2C%28H2%2C7%2C9%29,15.0,2.0,4.0,0.0,72.0,1.1736,0.0,0.0,0.0,0.133333333333333,0.0,0.0,10.0,43.2324,10.5155555555556,124.63,192.089996337891,4.24489795918367,2.34319526627219,15.0,2.0,0.0,0.0,0.0,0.0,1.0,2.0,1.0,14.0,7.0,4.0,8.0,2.0
InChI%3D1S%2FC8H8N4O4%2Fc13-8-9-3-4-11%288%2910-5-6-1-2-7%2816-6%2912%2814%2915%2Fh1-2%2C5H%2C3-4H2%2C%28H%2C9%2C13%29,17.0,2.0,5.0,0.0,80.0,0.648,0.0,1.0,0.0,0.176470588235294,0.0,0.0,5.0,51.7322,12.4567474048443,107.15,216.111995697021,5.55765595463138,3.25,17.0,1.0,1.0,0.0,0.0,0.0,1.0,1.0,1.0,16.0,8.0,6.0,9.0,3.0
InChI%3D1S%2FC21H27NO7%2Fc1-6-15-11-13%282%2921%284%2C29-14%283%2923%2920%2826%2927-12-16-7-9-22%285%2910-8-17%2818%2816%2924%2928-19%2815%2925%2Fh6-7%2C11%2C13%2C17H%2C1%2C8-10%2C12H2%2C2-5H3,30.0,2.0,7.0,0.0,146.0,1.5084,0.0,0.0,0.0,0.1,0.0,1.0,0.0,102.4009,25.2622222222222,100.41,378.230990409851,11.0394808004327,6.49108367626886,30.0,1.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,29.0,10.0,7.0,11.0,3.0
InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2,3.0,0.0,1.0,0.0,10.0,0.69598,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.81,4.0,23.79,50.0399990081787,3.0,4.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,4.0,2.0,1.0,3.0,0.0
InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,4.0,0.0,0.0,1.0,16.0,1.9249,0.0,0.0,0.0,0.25,0.0,0.0,0.0,25.19,5.0,0.0,83.496997833252,2.25,4.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.0,2.0,0.0,3.0,1.0
InChI%3D1S%2FC7H5N3O3S%2Fc8-7-9-4%283-14-7%295-1-2-6%2813-5%2910%2811%2912%2Fh1-3H%2C%28H2%2C8%2C9%29,15.0,2.0,3.0,0.0,72.0,2.2471,0.0,0.0,0.0,0.133333333333333,0.0,0.0,10.0,51.0484,10.5155555555556,126.84,206.161997795105,4.24489795918367,2.34319526627219,15.0,2.0,0.0,0.0,0.0,0.0,1.0,2.0,1.0,14.0,7.0,3.0,8.0,2.0
InChI%3D1S%2FC7H9NO%2Fc1-9-7-5-3-2-4-6%287%298%2Fh2-5H%2C8H2%2C1H3,9.0,0.0,2.0,0.0,40.0,1.2774,0.0,0.0,0.0,0.111111111111111,0.0,0.0,6.0,37.4064,7.11111111111111,35.25,114.082997322083,3.2396694214876,1.70414201183432,9.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,9.0,4.0,2.0,5.0,1.0
InChI%3D1S%2FC9H18N6O6%2Fc16-1-13%282-17%297-10-8%2814%283-18%294-19%2912-9%2811-7%2915%285-20%296-21%2Fh16-21H%2C1-6H2,21.0,1.0,12.0,0.0,96.0,-4.0104,0.0,6.0,0.0,0.428571428571429,0.0,0.0,6.0,69.7788,19.047619047619,169.77,288.134994506836,9.9039780521262,5.0,21.0,6.0,0.0,0.0,0.0,0.0,0.0,6.0,1.0,21.0,7.0,12.0,8.0,9.0
InChI%3D1S%2FC15H15N3O2%2Fc1-10-3-8-15%2820%2914%289-10%2918-17-13-6-4-12%285-7-13%2916-11%282%2919%2Fh3-9%2C17H%2C1-2H3%2C%28H%2C16%2C19%29,21.0,0.0,5.0,0.0,98.0,3.1476,0.0,1.0,0.0,0.142857142857143,0.0,0.0,6.0,80.8015,16.3718820861678,74.05,254.183994293213,7.85204081632653,5.37890625,21.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,20.0,11.0,5.0,12.0,3.0
InChI%3D1S%2FC13H28N2O%2Fc1-3-4-5-6-7-8-9-10-11-12-13-15%282%2914-16%2Fh3-13H2%2C1-2H3,15.0,0.0,3.0,0.0,60.0,4.5205,0.0,0.0,0.0,0.8,0.0,10.0,0.0,70.269,16.0,32.67,200.155995368958,13.0666666666667,13.0,15.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,16.0,13.0,3.0,14.0,12.0
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,3.0,0.0,0.0,2.0,10.0,1.464,0.0,0.0,0.0,0.333333333333333,0.0,0.0,0.0,21.44,4.0,0.0,94.9279975891113,3.0,4.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,4.0,2.0,0.0,3.0,1.0
InChI%3D1S%2FC13H14O5%2Fc1-5-7%283%2918-4-8-9%285%296%282%2911%2814%2910%2812%288%2915%2913%2816%2917%2Fh4-5%2C7%2C16-17H%2C1-3H3,19.0,1.0,5.0,0.0,96.0,1.721,0.0,2.0,0.0,0.0,0.0,1.0,0.0,62.7916,14.409972299169,83.83,236.137993812561,5.17479191438763,2.28435455086258,19.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,18.0,7.0,5.0,8.0,0.0
InChI%3D1S%2FC14H8O5%2Fc15-8-5-9%2816%2914%2819%2911-10%288%2912%2817%296-3-1-2-4-7%286%2913%2811%2918%2Fh1-5%2C15-16%2C19H,21.0,0.0,5.0,0.0,106.0,1.5788,0.0,0.0,0.0,0.0,0.0,0.0,12.0,64.7434,13.9591836734694,94.83,248.148993492126,5.080078125,2.08601177003169,21.0,3.0,0.0,3.0,0.0,0.0,0.0,3.0,1.0,19.0,7.0,5.0,8.0,0.0
InChI%3D1S%2FC11H10N4%2Fc1-15-9-5-4-8-7%283-2-6-13-8%2910%289%2914-11%2815%2912%2Fh2-6H%2C1H3%2C%28H2%2C12%2C14%29,17.0,2.0,3.0,0.0,84.0,1.5341,0.0,0.0,0.0,0.0,0.0,0.0,15.0,58.4254,10.1730103806228,57.46,188.148996353149,3.7856,1.55555555555556,17.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,15.0,6.0,2.0,7.0,0.0
InChI%3D1S%2FC17H23N3O%2Fc1-19%282%2912-13-20%2817-6-4-5-11-18-17%2914-15-7-9-16%2821-3%2910-8-15%2Fh4-11H%2C12-14H2%2C1-3H3,22.0,1.0,3.0,0.0,100.0,1.2413,0.0,0.0,0.0,0.318181818181818,0.0,0.0,12.0,88.0927,17.3553719008264,29.8,262.206994056702,9.20918367346939,5.9504132231405,22.0,1.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,21.0,10.0,3.0,11.0,7.0
InChI%3D1S%2FC12H6Cl4%2Fc13-7-1-3-9%2811%2815%295-7%2910-4-2-8%2814%296-12%2810%2916%2Fh1-6H,17.0,0.0,0.0,4.0,82.0,5.9672,0.0,0.0,0.0,0.0588235294117647,0.0,0.0,12.0,71.918,12.4567474048443,0.0,285.943992614746,5.10416666666667,2.83111111111111,17.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,16.0,8.0,0.0,9.0,1.0
InChI%3D1S%2FC18H25NO6%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2924-9-13-4-6-19-7-5-14%2815%2813%2919%2925-16%2812%2921%2Fh3-4%2C11%2C14-15%2C20%2C23H%2C5-10H2%2C1-2H3,27.0,3.0,6.0,0.0,134.0,0.317300000000001,0.0,2.0,0.0,0.037037037037037,0.0,1.0,0.0,87.2165,19.7530864197531,97.5,326.198991775513,7.935,3.70408163265306,27.0,3.0,1.0,0.0,0.0,0.0,0.0,3.0,1.0,25.0,8.0,6.0,9.0,1.0
InChI%3D1S%2FC5H8N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-2H%2C3-5H2,8.0,1.0,3.0,0.0,34.0,0.8676,0.0,0.0,0.0,0.125,0.0,0.0,0.0,28.9052,6.125,32.67,104.067997932434,3.11111111111111,1.8,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,4.0,3.0,5.0,1.0
InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920-3%2921-15-10-6-13%287-11-15%2912-4-8-14%2818%299-5-12%2Fh4-11H%2C1-3H3,22.0,0.0,3.0,1.0,106.0,4.3374,0.0,0.0,0.0,0.227272727272727,0.0,0.0,12.0,83.611,17.3553719008264,35.53,287.636992454529,7.51300728407908,4.73338203067933,22.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,21.0,12.0,3.0,13.0,5.0
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InChI%3D1S%2FC39H41N3O6S2%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%2C46%2C47%2C48%29%2Fp%2B1,54.0,0.0,8.0,0.0,264.0,8.3504,0.0,0.0,4.0,0.222222222222222,0.0,0.0,24.0,196.6482,41.1694101508916,140.65,670.577987670898,18.5562130177515,11.2753019575177,54.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,1.0,50.0,21.0,6.0,22.0,12.0
InChI%3D1S%2FC18H25NO7%2Fc1-3-12-8-11%282%2918%2823%2C10-20%2917%2822%2925-9-13-4-6-19%2824%297-5-14%2815%2813%2919%2926-16%2812%2921%2Fh3-4%2C11%2C14-15%2C20%2C23H%2C5-10H2%2C1-2H3,28.0,3.0,7.0,0.0,142.0,0.136600000000001,0.0,2.0,0.0,0.0357142857142857,0.0,1.0,0.0,89.6208,20.7270408163265,122.49,342.197991371155,7.78799351000541,3.68,28.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,26.0,8.0,7.0,9.0,1.0
InChI%3D1S%2FC20H14N2O10S3%2Fc23-16-7-5-11-9-12%2833%2824%2C25%2926%2910-18%2835%2830%2C31%2932%2919%2811%2920%2816%2922-21-15-6-8-17%2834%2827%2C28%2929%2914-4-2-1-3-13%2814%2915%2Fh1-10%2C21H%2C%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%28H%2C30%2C31%2C32%29,38.0,0.0,12.0,0.0,196.0,4.2066,0.0,0.0,6.0,0.131578947368421,0.0,0.0,17.0,118.6129,28.0193905817175,238.2,524.424993515015,10.285,6.02770083102493,38.0,1.0,0.0,0.0,3.0,0.0,0.0,4.0,1.0,35.0,13.0,9.0,14.0,5.0
InChI%3D1S%2FC8H8O%2Fc1-2-4-7%285-3-1%298-6-9-8%2Fh1-5%2C8H%2C6H2,10.0,1.0,1.0,0.0,46.0,1.7579,0.0,0.0,0.0,0.1,0.0,0.0,6.0,35.135,5.76,12.53,112.086997032166,2.31952662721893,0.996539792387543,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,9.0,4.0,1.0,5.0,1.0
InChI%3D1S%2FC8H14ClN5%2Fc1-4-10-7-12-6%289%2913-8%2814-7%2911-5%282%293%2Fh5H%2C4H2%2C1-3H3%2C%28H2%2C10%2C11%2C12%2C13%2C14%29,14.0,1.0,3.0,1.0,64.0,0.6209,0.0,0.0,0.0,0.142857142857143,0.0,0.0,6.0,54.7514,12.0714285714286,69.19,201.575996398926,5.77777777777778,4.38781163434903,14.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,14.0,7.0,3.0,8.0,2.0
InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2,11.0,0.0,4.0,2.0,50.0,-0.7802,0.0,4.0,0.0,0.454545454545455,0.0,0.0,0.0,51.6152,12.0,80.92,295.869995117188,5.61224489795918,3.515625,11.0,4.0,0.0,0.0,0.0,0.0,0.0,4.0,1.0,12.0,6.0,4.0,7.0,5.0
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3,9.0,0.0,2.0,0.0,40.0,1.4008,0.0,0.0,0.0,0.111111111111111,0.0,0.0,6.0,34.6588,7.11111111111111,29.46,116.074996948242,3.2396694214876,2.0,9.0,1.0,0.0,1.0,0.0,0.0,0.0,1.0,1.0,9.0,5.0,2.0,6.0,1.0
InChI%3D1S%2FC16H12ClNO2%2Fc1-2-16%2820-15%2818%2919%2C12-6-4-3-5-7-12%2913-8-10-14%2817%2911-9-13%2Fh1%2C3-11H%2C%28H2%2C18%2C19%29,21.0,0.0,3.0,1.0,100.0,3.7262,0.0,1.0,0.0,0.19047619047619,0.0,0.0,12.0,78.9475,16.3718820861678,53.31,273.633993148804,7.31985731272295,3.81440443213296,21.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,20.0,8.0,3.0,9.0,4.0
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3,4.0,0.0,0.0,1.0,16.0,2.1489,0.0,0.0,0.0,0.0,0.0,0.0,0.0,25.284,5.0,0.0,83.496997833252,2.25,4.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.0,2.0,0.0,3.0,0.0
InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3,10.0,0.0,3.0,0.0,40.0,2.57,0.0,0.0,0.0,0.7,0.0,4.0,0.0,47.184,11.0,32.67,140.10099697113,8.1,6.4,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,11.0,7.0,3.0,8.0,7.0
InChI%3D1S%2FC4H10O3%2Fc5-1-3-7-4-2-6%2Fh5-6H%2C1-4H2,6.0,0.0,3.0,0.0,22.0,-1.0124,0.0,2.0,0.0,0.666666666666667,0.0,0.0,0.0,24.9906,7.0,49.69,96.040997505188,6.0,6.0,6.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,7.0,5.0,3.0,6.0,4.0
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,11.0,0.0,3.0,0.0,50.0,2.0001,0.0,1.0,0.0,0.0909090909090909,0.0,0.0,6.0,43.5046,9.09090909090909,52.82,142.09299659729,4.13265306122449,3.26530612244898,11.0,2.0,0.0,1.0,0.0,0.0,0.0,2.0,1.0,11.0,6.0,3.0,7.0,1.0
InChI%3D1S%2FC6H12ClN3O3%2Fc1-4%2811%293-8-6%2812%2910%289-13%295%282%297%2Fh4-5%2C11H%2C3H2%2C1-2H3%2C%28H%2C8%2C12%29,12.0,0.0,6.0,1.0,54.0,0.8494,0.0,2.0,0.0,0.416666666666667,0.0,0.0,0.0,49.5606,13.0,85.49,197.536995887756,6.45333333333333,5.33333333333333,12.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,13.0,6.0,6.0,7.0,5.0
InChI%3D1S%2FC10H13NO2%2Fc1-3-13-10-6-4-9%285-7-10%2911-8%282%2912%2Fh4-7H%2C3H2%2C1-2H3%2C%28H%2C11%2C12%29,13.0,0.0,3.0,0.0,58.0,2.6932,0.0,1.0,0.0,0.230769230769231,0.0,0.0,6.0,53.0088,11.0769230769231,41.82,166.114995956421,5.671875,4.1522491349481,13.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,13.0,8.0,3.0,9.0,3.0
InChI%3D1S%2FC14H18ClNO4S%2Fc1-9-5-10%282%298-16%287-9%2921%2819%2C20%2911-3-4-13%2815%2912%286-11%2914%2817%2918%2Fh3-4%2C6%2C9-10H%2C5%2C7-8H2%2C1-2H3%2C%28H%2C17%2C18%29,22.0,1.0,5.0,1.0,110.0,2.3888,0.0,0.0,2.0,0.136363636363636,0.0,3.0,6.0,75.9972,17.3553719008264,85.89,313.67699432373,6.62993572084481,3.85484830458061,22.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,1.0,21.0,8.0,4.0,9.0,3.0
InChI%3D1S%2FC11H23NO2%2Fc12-10-8-6-4-2-1-3-5-7-9-11%2813%2914%2Fh1-10%2C12H2%2C%28H%2C13%2C14%29,13.0,0.0,2.0,0.0,52.0,0.489099999999999,0.0,0.0,0.0,0.769230769230769,0.0,7.0,0.0,57.1356,14.0,67.77,178.125995635986,11.0769230769231,13.0909090909091,13.0,1.0,0.0,0.0,1.0,0.0,0.0,1.0,1.0,14.0,11.0,1.0,12.0,10.0
InChI%3D1S%2FC14H15N3%2Fc1-17%282%2914-10-8-13%289-11-14%2916-15-12-6-4-3-5-7-12%2Fh3-11H%2C1-2H3,18.0,0.0,3.0,0.0,82.0,4.168,0.0,0.0,0.0,0.166666666666667,0.0,0.0,12.0,71.387,13.4320987654321,27.96,210.174995422363,6.80529300567108,4.30178326474623,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,17.0,10.0,3.0,11.0,3.0
InChI%3D1S%2FC6H3N3O5%2Fc10-6-8-7-5%2814-6%293-1-2-4%2813-3%299%2811%2912%2Fh1-2H%2C%28H%2C8%2C10%29,15.0,2.0,5.0,0.0,72.0,1.4666,0.0,0.0,0.0,0.133333333333333,0.0,0.0,10.0,42.4868,10.5155555555556,118.11,194.08199596405,4.24489795918367,2.34319526627219,15.0,1.0,0.0,1.0,0.0,0.0,1.0,1.0,1.0,14.0,7.0,5.0,8.0,2.0
InChI%3D1S%2FC6H8N2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C7-8H2,8.0,0.0,2.0,0.0,36.0,0.851,0.0,0.0,0.0,0.0,0.0,0.0,6.0,35.2668,6.125,52.04,100.079998016357,2.52,1.48760330578512,8.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,3.0,2.0,4.0,0.0
InChI%3D1S%2FC23H31NO2%2Fc1-6-22%2826-19%283%2925%2923%2817-18%282%2924%284%295%2C20-13-9-7-10-14-20%2921-15-11-8-12-16-21%2Fh7-16%2C18%2C22H%2C6%2C17H2%2C1-5H3,27.0,0.0,2.0,0.0,128.0,3.2375,0.0,0.0,0.0,0.333333333333333,0.0,1.0,12.0,108.5327,22.2908093278464,30.74,322.257991790771,10.518626734843,5.51770095793419,27.0,1.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,26.0,7.0,2.0,8.0,9.0
InChI%3D1S%2FC5H11N3O2%2Fc1-4%282%293-8%287-10%295%286%299%2Fh4H%2C3H2%2C1-2H3%2C%28H2%2C6%2C9%29,9.0,0.0,5.0,0.0,40.0,1.1186,0.0,1.0,0.0,0.444444444444444,0.0,2.0,0.0,37.6945,10.0,76.75,134.073997497559,4.7603305785124,4.48,9.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,10.0,4.0,5.0,5.0,4.0
InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H,7.0,1.0,2.0,0.0,30.0,1.0921,0.0,0.0,0.0,0.142857142857143,0.0,0.0,5.0,24.0955,5.14285714285714,30.21,92.0529975891113,2.34375,1.18518518518519,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,7.0,3.0,1.0,4.0,1.0
InChI%3D1S%2FC13H18Cl2N2O2%2Fc14-5-7-17%288-6-15%2911-3-1-10%282-4-11%299-12%2816%2913%2818%2919%2Fh1-4%2C12H%2C5-9%2C16H2%2C%28H%2C18%2C19%29,19.0,0.0,3.0,2.0,86.0,-0.1265,0.0,0.0,0.0,0.421052631578947,0.0,0.0,6.0,78.3026,17.0526315789474,71.01,287.06099319458,9.03125,5.87755102040816,19.0,1.0,0.0,0.0,1.0,0.0,0.0,1.0,1.0,19.0,10.0,2.0,11.0,8.0
InChI%3D1S%2FC9H14O%2Fc1-7-4-8%2810%296-9%282%2C3%295-7%2Fh4H%2C5-6H2%2C1-3H3,10.0,0.0,1.0,0.0,50.0,2.3218,0.0,0.0,0.0,0.0,0.0,3.0,0.0,41.779,8.1,17.07,124.097996711731,2.56,2.28571428571429,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,10.0,3.0,1.0,4.0,0.0
InChI%3D1S%2FC19H18N2O7S2%2Fc1-10-6-12%283%2916%287-11%2810%292%2920-21-18-15-5-4-14%2829%2823%2C24%2925%298-13%2815%299-17%2819%2818%2922%2930%2826%2C27%2928%2Fh4-9%2C22H%2C1-3H3%2C%28H%2C23%2C24%2C25%29%28H%2C26%2C27%2C28%29,32.0,0.0,9.0,0.0,164.0,5.8558,0.0,0.0,4.0,0.125,0.0,0.0,17.0,106.4566,24.638671875,176.11,432.34999370575,9.0944,5.50676378772112,32.0,1.0,0.0,1.0,2.0,0.0,0.0,3.0,1.0,30.0,12.0,7.0,13.0,4.0
InChI%3D1S%2FC9H4Cl6O4%2Fc10-3-4%2811%298%2813%292%286%2818%2919%291%285%2816%2917%297%283%2C12%299%288%2C14%2915%2Fh1-2H%2C%28H%2C16%2C17%29%28H%2C18%2C19%29,20.0,0.0,4.0,6.0,112.0,0.5641,0.0,0.0,0.0,0.1,0.0,0.0,0.0,68.704,15.39,80.26,384.812990188599,4.01388888888889,1.36979785969084,20.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,1.0,19.0,5.0,2.0,6.0,2.0
InChI%3D1S%2FC7H15N3O2%2Fc1-2-3-4-5-6-10%289-12%297%288%2911%2Fh2-6H2%2C1H3%2C%28H2%2C8%2C11%29,11.0,0.0,5.0,0.0,46.0,2.0429,0.0,1.0,0.0,0.636363636363636,0.0,4.0,0.0,46.9985,12.0,76.75,158.095996856689,7.63888888888889,6.25,11.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,12.0,7.0,5.0,8.0,7.0
InChI%3D1S%2FC7H14N4O4%2Fc1-11%2810-15%297%2814%299-4-2-3-5%288%296%2812%2913%2Fh5H%2C2-4%2C8H2%2C1H3%2C%28H%2C9%2C14%29%28H%2C12%2C13%29,14.0,0.0,7.0,0.0,62.0,-2.3458,0.0,1.0,0.0,0.5,0.0,0.0,0.0,52.2264,15.0,133.03,204.100996017456,8.18685121107266,6.9757785467128,14.0,2.0,1.0,0.0,1.0,0.0,0.0,2.0,1.0,15.0,9.0,6.0,10.0,7.0
InChI%3D1S%2FC12H14N2O%2Fc1-9-8-12%282%2C3%2914%2813-15%2911-7-5-4-6-10%289%2911%2Fh4-8H%2C1-3H3,16.0,1.0,3.0,0.0,80.0,3.4349,0.0,0.0,0.0,0.0625,0.0,0.0,6.0,59.2462,11.484375,32.67,188.144995689392,4.10763888888889,1.96875,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,15.0,5.0,3.0,6.0,1.0
InChI%3D1S%2FC10H9N%2Fc11-10-6-5-8-3-1-2-4-9%288%297-10%2Fh1-7H%2C11H2,12.0,0.0,1.0,0.0,56.0,2.422,0.0,0.0,0.0,0.0,0.0,0.0,11.0,48.3604,7.63888888888889,26.02,134.116996765137,3.1640625,1.6,12.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,11.0,5.0,1.0,6.0,0.0
InChI%3D1S%2FC11H7N3O3%2Fc15-14%2816%2911-5-4-9%2817-11%298-7-12-10-3-1-2-6-13%288%2910%2Fh1-7H,19.0,3.0,3.0,0.0,92.0,3.0257,0.0,0.0,0.0,0.105263157894737,0.0,0.0,15.0,61.716,12.0554016620499,76.26,222.138995170593,4.93827160493827,2.29072315558802,19.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,17.0,8.0,3.0,9.0,2.0
InChI%3D1S%2FC39H59Cl2NO2%2Fc1-27%282%297-6-8-28%283%2934-15-16-35-33-14-11-30-26-32%2817-19-38%2830%2C4%2936%2833%2918-20-39%2834%2C35%295%2944-37%2843%2925-29-9-12-31%2813-10-29%2942%2823-21-40%2924-22-41%2Fh9-13%2C27-28%2C32-36H%2C6-8%2C14-26H2%2C1-5H3,48.0,0.0,3.0,2.0,236.0,10.4663,0.0,0.0,0.0,0.291666666666667,0.0,20.0,6.0,186.725,35.3107638888889,29.54,585.339984893799,15.48,7.84765625,48.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,44.0,24.0,3.0,25.0,14.0
InChI%3D1S%2FC8H15N3O7%2Fc1-11%2810-18%298%2817%299-4%282-12%296%2815%297%2816%295%2814%293-13%2Fh2%2C4-7%2C13-16H%2C3H2%2C1H3%2C%28H%2C9%2C17%29,17.0,0.0,10.0,0.0,78.0,-2.8439,0.0,5.0,0.0,0.470588235294118,0.0,0.0,0.0,58.58,18.0,163.25,250.101994514465,8.99173553719008,5.68047337278106,17.0,5.0,1.0,0.0,0.0,0.0,0.0,5.0,1.0,18.0,9.0,10.0,10.0,8.0
InChI%3D1S%2FC19H30O5%2Fc1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18%2823-15-24-19%2912-16%2817%296-4-2%2Fh12-13H%2C3-11%2C14-15H2%2C1-2H3,25.0,1.0,5.0,0.0,110.0,3.7177,0.0,0.0,0.0,0.52,0.0,3.0,6.0,92.762,20.3136,46.15,308.203991889954,12.3688888888889,7.42439737034332,25.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,24.0,15.0,5.0,16.0,13.0
InChI%3D1S%2FC4H8N2O%2Fc7-5-6-3-1-2-4-6%2Fh1-4H2,7.0,1.0,3.0,0.0,30.0,0.7015,0.0,0.0,0.0,0.142857142857143,0.0,0.0,0.0,24.3822,5.14285714285714,32.67,92.0569982528687,2.34375,1.18518518518519,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,7.0,3.0,3.0,4.0,1.0
InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-3-1-2-4-8-6%2Fh1-4H2,8.0,1.0,4.0,0.0,34.0,0.6331,0.0,0.0,0.0,0.125,0.0,0.0,0.0,25.4672,6.125,41.9,108.055997848511,3.11111111111111,1.8,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,4.0,4.0,5.0,1.0
InChI%3D1S%2FC12H24N2O%2Fc15-13-14-11-9-7-5-3-1-2-4-6-8-10-12-14%2Fh1-12H2,15.0,1.0,3.0,0.0,62.0,3.8223,0.0,0.0,0.0,0.0666666666666667,0.0,8.0,0.0,61.3182,13.0666666666667,32.67,188.144995689392,9.2421875,6.9757785467128,15.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,15.0,7.0,3.0,8.0,1.0
InChI%3D1S%2FC13H12F2N6O%2Fc14-10-1-2-11%2812%2815%293-10%2913%2822%2C4-20-8-16-6-18-20%295-21-9-17-7-19-21%2Fh1-3%2C6-9%2C22H%2C4-5H2,24.0,2.0,7.0,2.0,116.0,0.735799999999999,0.0,1.0,0.0,0.208333333333333,0.0,0.0,16.0,70.2988,16.84375,81.65,294.179993629456,7.26643598615917,4.11032990805841,24.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,22.0,8.0,5.0,9.0,5.0
InChI%3D1S%2FC6H6N4O4%2Fc7-6%2811%299-8-3-4-1-2-5%2814-4%2910%2812%2913%2Fh1-3H%2C%28H3%2C7%2C9%2C11%29,14.0,1.0,5.0,0.0,64.0,1.1273,0.0,1.0,0.0,0.285714285714286,0.0,0.0,5.0,48.6152,12.0714285714286,127.43,192.089996337891,5.77777777777778,4.38781163434903,14.0,3.0,1.0,0.0,0.0,0.0,1.0,3.0,1.0,14.0,8.0,6.0,9.0,4.0
InChI%3D1S%2FC13H17N3O2%2Fc1-10-8-15%2814-18%299-11%282%2916%2810%2913%2817%2912-6-4-3-5-7-12%2Fh3-7%2C10-11H%2C8-9H2%2C1-2H3,19.0,1.0,5.0,0.0,90.0,1.7786,0.0,0.0,0.0,0.157894736842105,0.0,0.0,6.0,64.4639,14.409972299169,52.98,230.161994934082,6.43786982248521,3.32179930795848,19.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,18.0,9.0,5.0,10.0,3.0
InChI%3D1S%2FC11H10N6O5%2Fc1-5%2818%2912-10-14-9%2815-11%2816-10%2913-6%282%2919%297-3-4-8%2822-7%2917%2820%2921%2Fh3-4H%2C1-2H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%2C18%2C19%29,23.0,2.0,8.0,0.0,110.0,2.7788,0.0,2.0,0.0,0.173913043478261,0.0,0.0,11.0,77.1466,18.3402646502836,162.81,296.157994270325,8.203125,5.55149744338934,23.0,2.0,0.0,0.0,0.0,0.0,1.0,2.0,1.0,22.0,9.0,9.0,10.0,4.0
InChI%3D1S%2FC12H10Cl2N2%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%2Fh1-6H%2C15-16H2,17.0,0.0,2.0,2.0,82.0,3.8248,0.0,0.0,0.0,0.0588235294117647,0.0,0.0,12.0,70.7228,12.4567474048443,52.04,243.05199432373,5.10416666666667,2.83111111111111,17.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,16.0,8.0,2.0,9.0,1.0
InChI%3D1S%2FC7H7NO2%2Fc1-6-2-4-7%285-3-6%298%289%2910%2Fh2-5H%2C1H3,10.0,0.0,0.0,0.0,46.0,2.4264,0.0,0.0,0.0,0.1,0.0,0.0,6.0,40.001,8.1,45.82,130.081996917725,3.40828402366864,2.28571428571429,10.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,10.0,5.0,2.0,6.0,1.0
InChI%3D1S%2FC10Cl12%2Fc11-1-2%2812%297%2817%294%2814%293%2813%2C5%281%2C15%299%287%2C19%2920%296%281%2C16%2910%2821%2C22%298%282%2C4%2918,26.0,0.0,0.0,12.0,172.0,6.223,0.0,0.0,0.0,0.0,0.0,0.0,0.0,97.546,14.3520710059172,0.0,545.545986175537,2.33333333333333,0.478710002519526,26.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,22.0,5.0,0.0,6.0,0.0
InChI%3D1S%2FC12H12N2O3%2Fc1-3-14-6-9%2812%2816%2917%2910%2815%298-5-4-7%282%2913-11%288%2914%2Fh4-6H%2C3H2%2C1-2H3%2C%28H%2C16%2C17%29,18.0,2.0,5.0,0.0,88.0,0.0883,0.0,0.0,0.0,0.111111111111111,0.0,0.0,11.0,61.431,13.4320987654321,75.02,220.142994880676,5.32544378698225,2.56,18.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,1.0,17.0,7.0,3.0,8.0,2.0
InChI%3D1S%2FC7H6N4O3S%2Fc8-10-7-9-4%283-15-7%295-1-2-6%2814-5%2911%2812%2913%2Fh1-3H%2C8H2%2C%28H%2C9%2C10%29,16.0,2.0,5.0,0.0,76.0,2.1201,0.0,0.0,0.0,0.1875,0.0,0.0,10.0,56.4481,11.484375,138.14,220.168997764587,4.88842975206612,2.57142857142857,16.0,2.0,0.0,0.0,0.0,0.0,1.0,1.0,1.0,15.0,8.0,5.0,9.0,3.0
InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3,6.0,0.0,2.0,0.0,24.0,0.7355,0.0,0.0,0.0,0.5,0.0,0.0,0.0,26.83,7.0,26.3,92.0529975891113,4.16666666666667,3.84,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,7.0,4.0,2.0,5.0,3.0
InChI%3D1S%2FC5H11Cl2N%2Fc1-8%284-2-6%295-3-7%2Fh2-5H2%2C1H3,7.0,0.0,0.0,2.0,28.0,-0.0213,0.0,0.0,0.0,0.571428571428571,0.0,0.0,0.0,40.1947,8.0,4.44,144.96799659729,5.14285714285714,5.0,7.0,1.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,8.0,5.0,0.0,6.0,4.0
InChI%3D1S%2FC4H10N2O3%2Fc7-3-1-6%285-9%292-4-8%2Fh7-8H%2C1-4H2,8.0,0.0,5.0,0.0,32.0,-1.0456,0.0,2.0,0.0,0.625,0.0,0.0,0.0,31.5396,9.0,73.13,124.054997444153,6.125,4.5,8.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,9.0,5.0,5.0,6.0,5.0
InChI%3D1S%2FC34H59NO15%2Fc1-5-6-9-20%283%2932%2850-31%2844%2917-23%2834%2847%2948%2915-29%2841%2942%2927%2849-30%2843%2916-22%2833%2845%2946%2914-28%2839%2940%2913-19%282%2912-24%2836%2910-7-8-11-25%2837%2918-26%2838%2921%284%2935%2Fh19-27%2C32%2C36-38H%2C5-18%2C35H2%2C1-4H3%2C%28H%2C39%2C40%29%28H%2C41%2C42%29%28H%2C45%2C46%29%28H%2C47%2C48%29,49.0,0.0,15.0,0.0,226.0,-3.49139999999999,0.0,3.0,0.0,0.63265306122449,0.0,9.0,0.0,170.6585,50.0,301.45,662.365983009338,27.5625,24.1229672532858,49.0,4.0,0.0,0.0,4.0,0.0,0.0,7.0,1.0,50.0,20.0,11.0,21.0,31.0
InChI%3D1S%2FC6H12N2O3%2Fc1-2-3-8%287-11%294-6%2810%295-9%2Fh2%2C6%2C9-10H%2C1%2C3-5H2,10.0,0.0,5.0,0.0,42.0,-0.491,0.0,2.0,0.0,0.6,0.0,0.0,0.0,40.6576,11.0,73.13,148.076996803284,6.69421487603306,5.28925619834711,10.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,11.0,6.0,5.0,7.0,6.0
InChI%3D1S%2FC21H30O3%2Fc1-13%2822%2924-15-8-10-20%282%2914%2812-15%294-5-16-17-6-7-19%2823%2921%2817%2C3%2911-9-18%2816%2920%2Fh4%2C15-18H%2C5-12H2%2C1-3H3,27.0,0.0,3.0,0.0,140.0,4.45,0.0,0.0,0.0,0.0740740740740741,0.0,9.0,0.0,92.264,17.4156378600823,43.37,300.2279920578,6.02055164954029,2.64412070759625,27.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,24.0,11.0,3.0,12.0,2.0
InChI%3D1S%2FC12H4Cl4O2%2Fc13-5-1-9-10%282-6%285%2914%2918-12-4-8%2816%297%2815%293-11%2812%2917-9%2Fh1-4H,20.0,1.0,2.0,4.0,100.0,6.1982,0.0,0.0,0.0,0.0,0.0,0.0,12.0,73.072,13.005,18.46,317.94199180603,4.83555555555556,2.4,20.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,18.0,8.0,2.0,9.0,0.0
InChI%3D1S%2FC14H7Br2NO2%2Fc15-8-5-9%2816%2912%2817%2911-10%288%2913%2818%296-3-1-2-4-7%286%2914%2811%2919%2Fh1-5H%2C17H2,21.0,0.0,3.0,2.0,106.0,3.5692,0.0,0.0,0.0,0.0,0.0,0.0,12.0,79.5614,13.9591836734694,60.16,373.966993331909,5.080078125,2.08601177003169,21.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,19.0,7.0,3.0,8.0,0.0
InChI%3D1S%2FC4H4N2OS%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,8.0,1.0,4.0,0.0,36.0,0.4709,0.0,0.0,0.0,0.0,0.0,0.0,6.0,30.9488,6.125,84.81,124.123999595642,2.52,1.8,8.0,2.0,0.0,1.0,0.0,0.0,0.0,2.0,1.0,8.0,3.0,4.0,4.0,0.0
InChI%3D1S%2FC9H16ClN3O7%2Fc10-1-2-13%2812-19%299%2818%2911-5-7%2816%296%2815%294%283-14%2920-8%285%2917%2Fh4-8%2C14-17H%2C1-3H2%2C%28H%2C11%2C18%29,20.0,1.0,10.0,1.0,94.0,-2.0775,0.0,5.0,0.0,0.3,0.0,0.0,0.0,67.052,18.05,155.41,297.565993309021,8.44444444444444,4.49632653061224,20.0,5.0,1.0,0.0,0.0,0.0,0.0,5.0,1.0,20.0,10.0,10.0,11.0,6.0
InChI%3D1S%2FC6H8O%2Fc1-2-3-4-5-6-7%2Fh2-6H%2C1H3,6.0,0.0,1.0,0.0,22.0,1.3176,0.0,0.0,0.0,0.333333333333333,0.0,0.0,0.0,30.018,7.0,17.07,88.0649976730347,6.0,6.0,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,7.0,5.0,1.0,6.0,2.0
InChI%3D1S%2FC3H5N3O%2Fc1-2-6%283-4%295-7%2Fh2H2%2C1H3,6.0,0.0,4.0,0.0,24.0,0.47078,0.0,0.0,0.0,0.333333333333333,0.0,0.0,0.0,23.788,7.0,56.46,94.0529985427856,4.16666666666667,2.66666666666667,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,7.0,3.0,4.0,4.0,2.0
InChI%3D1S%2FC3H8N2O%2Fc1-3-5%282%294-6%2Fh3H2%2C1-2H3,5.0,0.0,3.0,0.0,20.0,0.6195,0.0,0.0,0.0,0.4,0.0,0.0,0.0,24.099,6.0,32.67,80.0459985733032,3.2,3.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,6.0,3.0,3.0,4.0,2.0
InChI%3D1S%2FC13H14Cl2O3%2Fc1-12%282%2C11%2816%2917%2918-9-5-3-8%284-6-9%2910-7-13%2810%2C14%2915%2Fh3-6%2C10H%2C7H2%2C1-2H3%2C%28H%2C16%2C17%29,19.0,0.0,3.0,2.0,98.0,2.2551,0.0,0.0,0.0,0.210526315789474,0.0,0.0,6.0,68.6375,14.409972299169,49.36,275.045992851257,4.83555555555556,2.96296296296296,19.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,1.0,18.0,9.0,2.0,10.0,4.0
InChI%3D1S%2FC12H9NO%2Fc13-8-5-6-10-9-3-1-2-4-11%289%2914-12%2810%297-8%2Fh1-7H%2C13H2,16.0,1.0,2.0,0.0,78.0,3.1682,0.0,0.0,0.0,0.0,0.0,0.0,15.0,58.1324,9.2421875,39.16,174.13799571991,3.53875236294896,1.546875,16.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,14.0,6.0,1.0,7.0,0.0
InChI%3D1S%2FC2H6N2O2%2Fc1-3%282%294%285%296%2Fh1-2H3,5.0,0.0,1.0,0.0,22.0,0.2629,0.0,0.0,0.0,0.2,0.0,0.0,0.0,22.849,6.0,49.06,84.0339984893799,2.22222222222222,3.0,5.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,6.0,2.0,3.0,3.0,1.0
InChI%3D1S%2FC15H23ClO4S%2Fc1-12%2820-21%2817%2919-10-9-16%2911-18-14-7-5-13%286-8-14%2915%282%2C3%294%2Fh5-8%2C12H%2C9-11H2%2C1-4H3,21.0,0.0,4.0,1.0,98.0,4.4678,0.0,0.0,0.0,0.428571428571429,0.0,0.0,6.0,86.1335,19.047619047619,63.97,311.680994033813,9.20918367346939,7.705112960761,21.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,21.0,13.0,4.0,14.0,9.0
InChI%3D1S%2FC17H22N2O%2Fc1-17%2820-14-13-19%282%293%2C15-9-5-4-6-10-15%2916-11-7-8-12-18-16%2Fh4-12H%2C13-14H2%2C1-3H3,21.0,1.0,2.0,0.0,98.0,1.5062,0.0,0.0,0.0,0.285714285714286,0.0,0.0,12.0,82.8967,16.3718820861678,26.56,248.199994087219,7.85204081632653,4.49632653061224,21.0,1.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,20.0,8.0,2.0,9.0,6.0
InChI%3D1S%2FC6H11N3O3%2Fc1-3-9%288-12%296%2811%297-4-5%282%2910%2Fh3-4H2%2C1-2H3%2C%28H%2C7%2C11%29,11.0,0.0,6.0,0.0,48.0,0.4927,0.0,1.0,0.0,0.454545454545455,0.0,0.0,0.0,43.7868,12.0,82.33,162.083996772766,6.50887573964497,5.32544378698225,11.0,1.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,12.0,6.0,6.0,7.0,5.0
InChI%3D1S%2FC11H11N3O3%2Fc12-10%2815%296-9-11%2816%2917-13-14%289%297-8-4-2-1-3-5-8%2Fh1-5H%2C6-7H2%2C%28H2-%2C12%2C13%2C15%2C16%29%2Fp%2B1,18.0,1.0,6.0,0.0,84.0,1.5889,0.0,1.0,0.0,0.222222222222222,0.0,0.0,11.0,60.1683,13.4320987654321,95.27,222.138995170593,6.25,3.72889417360285,18.0,3.0,0.0,1.0,0.0,0.0,0.0,3.0,1.0,17.0,8.0,4.0,9.0,4.0
InChI%3D1S%2FC2Cl2%2Fc3-1-2-4,3.0,0.0,0.0,2.0,10.0,1.3824,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.482,4.0,0.0,94.9279975891113,3.0,4.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,4.0,2.0,0.0,3.0,0.0
InChI%3D1S%2FC37H36N2O6S2%2Fc1-3-38%2826-28-10-8-14-35%2824-28%2946%2840%2C41%2942%2933-20-16-31%2817-21-33%2937%2830-12-6-5-7-13-30%2932-18-22-34%2823-19-32%2939%284-2%2927-29-11-9-15-36%2825-29%2947%2843%2C44%2945%2Fh5-25H%2C3-4%2C26-27H2%2C1-2H3%2C%28H-%2C40%2C41%2C42%2C43%2C44%2C45%29%2Fp%2B1,51.0,0.0,7.0,0.0,248.0,8.2844,0.0,0.0,4.0,0.215686274509804,0.0,0.0,24.0,182.3212,38.2360630526721,137.41,632.548988342285,17.4798273597298,10.5217391304348,51.0,0.0,0.0,0.0,2.0,0.0,0.0,2.0,1.0,47.0,21.0,5.0,22.0,11.0
InChI%3D1S%2FC20H14N2O10S3%2Fc23-20-18%2835%2830%2C31%2932%2910-11-9-12%2833%2824%2C25%2926%295-6-13%2811%2919%2820%2922-21-16-7-8-17%2834%2827%2C28%2929%2915-4-2-1-3-14%2815%2916%2Fh1-10%2C21H%2C%28H%2C24%2C25%2C26%29%28H%2C27%2C28%2C29%29%28H%2C30%2C31%2C32%29,38.0,0.0,12.0,0.0,196.0,4.1754,0.0,0.0,6.0,0.131578947368421,0.0,0.0,17.0,119.2899,28.0193905817175,238.2,524.424993515015,10.285,6.02770083102493,38.0,1.0,0.0,0.0,3.0,0.0,0.0,4.0,1.0,35.0,13.0,9.0,14.0,5.0
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-4-10-14%2812%2911%286-3-9%295-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,14.0,1.0,4.0,2.0,64.0,1.8219,0.0,0.0,0.0,0.357142857142857,0.0,0.0,0.0,56.9714,12.0714285714286,51.38,245.968996047974,5.77777777777778,3.27272727272727,14.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,14.0,7.0,4.0,8.0,5.0
InChI%3D1S%2FC10H10O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh2%2C4-6H%2C1%2C3%2C7H2,13.0,1.0,2.0,0.0,60.0,2.1438,0.0,0.0,0.0,0.153846153846154,0.0,0.0,6.0,46.466,8.59171597633136,18.46,152.107995986938,3.80622837370242,1.8595041322314,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,12.0,6.0,2.0,7.0,2.0
InChI%3D1S%2FC10H12N4O5%2Fc15-6-5-12-3-4-13%2810%2812%2916%2911-7-8-1-2-9%2819-8%2914%2817%2918%2Fh1-2%2C7%2C15H%2C3-6H2,20.0,2.0,6.0,0.0,94.0,0.6506,0.0,1.0,0.0,0.25,0.0,0.0,5.0,61.4452,15.39,115.1,256.132994651794,7.1358024691358,3.98615916955017,20.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,1.0,19.0,11.0,7.0,12.0,5.0
InChI%3D1S%2FC7H9N%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C8H2%2C1H3,8.0,0.0,1.0,0.0,36.0,1.5772,0.0,0.0,0.0,0.0,0.0,0.0,6.0,35.5914,6.125,26.02,98.0839977264404,2.52,1.48760330578512,8.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,3.0,1.0,4.0,0.0
InChI%3D1S%2FC4H8N2O2%2Fc7-4-1-2-6%283-4%295-8%2Fh4%2C7H%2C1-3H2,8.0,1.0,4.0,0.0,36.0,-0.3277,0.0,1.0,0.0,0.125,0.0,0.0,0.0,25.772,6.125,52.9,108.055997848511,2.52,1.48760330578512,8.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,8.0,4.0,4.0,5.0,1.0
InChI%3D1S%2FC6H14N2O4%2Fc1-5%2810%292-8%287-12%293-6%2811%294-9%2Fh5-6%2C9-11H%2C2-4H2%2C1H3,11.0,0.0,6.0,0.0,48.0,-1.2962,0.0,3.0,0.0,0.545454545454545,0.0,0.0,0.0,42.1414,12.0,93.36,164.075996398926,6.50887573964497,6.25,11.0,3.0,0.0,0.0,0.0,0.0,0.0,3.0,1.0,12.0,6.0,6.0,7.0,6.0
InChI%3D1S%2FC15H13NO%2Fc1-10%2817%2916-13-6-7-15-12%289-13%298-11-4-2-3-5-14%2811%2915%2Fh2-7%2C9H%2C8H2%2C1H3%2C%28H%2C16%2C17%29,19.0,0.0,2.0,0.0,92.0,3.8657,0.0,1.0,0.0,0.0526315789473684,0.0,0.0,12.0,70.0818,12.0554016620499,32.59,210.170994758606,4.93827160493827,2.41975308641975,19.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,17.0,8.0,2.0,9.0,1.0
InChI%3D1S%2FC19H20O4%2Fc1-2-3-13-22-18%2820%2916-11-7-8-12-17%2816%2919%2821%2923-14-15-9-5-4-6-10-15%2Fh4-12H%2C2-3%2C13-14H2%2C1H3,24.0,0.0,4.0,0.0,108.0,4.0005,0.0,0.0,0.0,0.375,0.0,2.0,12.0,87.194,19.3263888888889,52.6,292.204992294312,10.78,6.42804967129291,24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,23.0,13.0,4.0,14.0,9.0
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,8.0,0.0,0.0,0.0,34.0,2.249,0.0,0.0,0.0,0.125,0.0,0.0,6.0,35.82,6.125,0.0,96.0879974365234,3.11111111111111,1.8,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,4.0,0.0,5.0,1.0
InChI%3D1S%2FC7H7NO%2Fc1-6-4-2-3-5-7%286%298-9%2Fh2-5H%2C1H3,9.0,0.0,2.0,0.0,40.0,2.3929,0.0,0.0,0.0,0.111111111111111,0.0,0.0,6.0,36.634,7.11111111111111,29.43,114.082997322083,3.2396694214876,1.70414201183432,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,9.0,4.0,2.0,5.0,1.0
InChI%3D1S%2FC4H6%2Fc1-3-4-2%2Fh3-4H%2C1-2H2,3.0,0.0,0.0,0.0,10.0,1.3584,0.0,0.0,0.0,0.333333333333333,0.0,0.0,0.0,20.394,4.0,0.0,48.0439987182617,3.0,4.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,4.0,2.0,0.0,3.0,1.0
InChI%3D1S%2FC22H28O3%2Fc1-4-22%2825-14%282%2923%2912-10-20-19-7-5-15-13-16%2824%296-8-17%2815%2918%2819%299-11-21%2820%2C22%293%2Fh1%2C13%2C17-20H%2C5-12H2%2C2-3H3,28.0,0.0,3.0,0.0,144.0,4.0633,0.0,0.0,0.0,0.0714285714285714,0.0,9.0,0.0,95.423,18.3673469387755,43.37,312.238991737366,6.55785123966942,2.74934911242604,28.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,25.0,11.0,3.0,12.0,2.0
InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2,16.0,0.0,2.0,1.0,74.0,3.7145,0.0,0.0,0.0,0.125,0.0,0.0,12.0,62.3804,11.484375,35.25,209.5909948349,5.36507936507936,3.5,16.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,15.0,9.0,2.0,10.0,2.0
InChI%3D1S%2FC2HCl2F3%2Fc3-1%284%292%285%2C6%297%2Fh1H,6.0,0.0,0.0,5.0,30.0,2.3524,0.0,0.0,0.0,0.166666666666667,0.0,0.0,0.0,21.549,7.0,0.0,151.921995162964,1.85185185185185,2.66666666666667,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,7.0,2.0,0.0,3.0,1.0
InChI%3D1S%2FC15H10F3NO%2Fc16-15%2817%2C18%2914%2820%2919-11-5-6-13-10%288-11%297-9-3-1-2-4-12%289%2913%2Fh1-6%2C8H%2C7H2%2C%28H%2C19%2C20%29,22.0,0.0,2.0,3.0,110.0,3.7586,0.0,0.0,0.0,0.136363636363636,0.0,0.0,12.0,69.3687,14.9173553719008,29.1,267.164992332458,5.65289256198347,3.12244897959184,22.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,20.0,9.0,2.0,10.0,3.0
InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3,3.0,0.0,0.0,0.0,12.0,0.4161,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.086,4.0,45.82,58.015998840332,1.33333333333333,0.0,3.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,4.0,1.0,2.0,2.0,0.0
InChI%3D1S%2FC20H16O8%2Fc1-23-10-7-11-13%288-4-5-26-20%288%2927-11%2918-15%2810%2916%2822%2914-9%2821%296-12%2824-2%2917%2825-3%2919%2814%2928-18%2Fh4-8%2C20-21H%2C1-3H3,32.0,3.0,8.0,0.0,162.0,3.0236,0.0,0.0,0.0,0.09375,0.0,0.0,16.0,98.6928,19.93359375,96.59,368.211990356445,7.6018325697626,2.92590027700831,32.0,1.0,0.0,1.0,0.0,0.0,0.0,1.0,1.0,28.0,9.0,7.0,10.0,3.0
InChI%3D1S%2FC10H13N3O%2Fc14-12-13-7-2-1-5-10%2813%299-4-3-6-11-8-9%2Fh3-4%2C6%2C8%2C10H%2C1-2%2C5%2C7H2,15.0,2.0,4.0,0.0,68.0,2.2279,0.0,0.0,0.0,0.133333333333333,0.0,1.0,6.0,51.1102,10.5155555555556,45.56,178.129996299744,5.18559556786704,2.5344,15.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,14.0,6.0,4.0,7.0,2.0
InChI%3D1S%2FC6H6N2O3%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2Fh1-3%2C9H%2C7H2,11.0,0.0,2.0,0.0,52.0,1.4058,0.0,0.0,0.0,0.0909090909090909,0.0,0.0,6.0,41.3412,9.09090909090909,92.07,148.076996803284,3.6,2.21453287197232,11.0,2.0,0.0,1.0,0.0,0.0,1.0,1.0,1.0,11.0,5.0,4.0,6.0,1.0
InChI%3D1S%2FC18H14N4O5S%2Fc23-16-9-6-13%2811-15%2816%2918%2824%2925%2921-20-12-4-7-14%288-5-12%2928%2826%2C27%2922-17-3-1-2-10-19-17%2Fh1-11%2C20H%2C%28H%2C19%2C22%29%28H%2C24%2C25%29,30.0,1.0,9.0,0.0,144.0,1.5463,0.0,0.0,2.0,0.2,0.0,0.0,12.0,100.5129,22.68,149.03,384.287993431091,10.3469387755102,6.49750096116878,30.0,2.0,0.0,0.0,1.0,0.0,0.0,3.0,1.0,28.0,15.0,8.0,16.0,6.0
InChI%3D1S%2FC8H11N3%2Fc1-11%282%2910-9-8-6-4-3-5-7-8%2Fh3-7H%2C1-2H3,11.0,0.0,3.0,0.0,48.0,2.2469,0.0,0.0,0.0,0.181818181818182,0.0,0.0,6.0,44.645,9.09090909090909,27.96,138.108997344971,4.79289940828402,3.78698224852071,11.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,11.0,6.0,3.0,7.0,2.0
InChI%3D1S%2FC15H10O7%2Fc16-7-4-10%2819%2912-11%285-7%2922-15%2814%2821%2913%2812%2920%296-1-2-8%2817%299%2818%293-6%2Fh1-5%2C16-19%2C21H,24.0,1.0,7.0,0.0,120.0,1.988,0.0,0.0,0.0,0.0416666666666667,0.0,0.0,17.0,76.244,16.84375,131.36,292.157992362976,6.48148148148148,3.16534777176177,24.0,5.0,0.0,5.0,0.0,0.0,0.0,5.0,1.0,22.0,9.0,6.0,10.0,1.0
InChI%3D1S%2FC10Cl10O%2Fc11-2-1%2821%293%2812%296%2815%294%282%2C13%298%2817%295%282%2C14%297%283%2C16%299%286%2C18%2910%288%2C19%2920,25.0,0.0,1.0,10.0,164.0,4.6182,0.0,0.0,0.0,0.0,0.0,0.0,0.0,88.116,13.44,17.07,490.638987541199,2.22222222222222,0.45,25.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,21.0,5.0,1.0,6.0,0.0
InChI%3D1S%2FC17H13N3O3%2Fc1-11-6-8-14%2815%2810-11%2920%2822%2923%2918-19-17-13-5-3-2-4-12%2813%297-9-16%2817%2921%2Fh2-10%2C18H%2C1H3,25.0,0.0,3.0,0.0,120.0,3.8385,0.0,0.0,0.0,0.12,0.0,0.0,12.0,90.6437,17.8112,87.28,294.204993247986,7.92,4.15879017013232,25.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,1.0,23.0,10.0,5.0,11.0,3.0
InChI%3D1S%2FC15H22O3%2Fc1-11-6-7-12%282%2913%2810-11%2918-9-5-8-15%283%2C4%2914%2816%2917%2Fh6-7%2C10H%2C5%2C8-9H2%2C1-4H3%2C%28H%2C16%2C17%29,18.0,0.0,3.0,0.0,86.0,2.2385,0.0,0.0,0.0,0.333333333333333,0.0,3.0,6.0,70.1195,16.0555555555556,49.36,228.161993980408,6.9632,5.26748971193416,18.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,1.0,18.0,9.0,2.0,10.0,6.0
InChI%3D1S%2FC14H9NO2%2Fc15-8-5-6-11-12%287-8%2914%2817%2910-4-2-1-3-9%2810%2913%2811%2916%2Fh1-7H%2C15H2,19.0,0.0,3.0,0.0,94.0,2.0442,0.0,0.0,0.0,0.0,0.0,0.0,12.0,64.1614,12.0554016620499,60.16,214.158994674683,4.59183673469388,1.96,19.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,17.0,7.0,3.0,8.0,0.0
InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3,9.0,0.0,0.0,0.0,42.0,2.6118,0.0,0.0,0.0,0.0,0.0,0.0,6.0,40.653,7.11111111111111,0.0,108.098997116089,2.72222222222222,1.70414201183432,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,9.0,4.0,0.0,5.0,0.0
InChI%3D1S%2FC6H12ClN3O3%2Fc1-5%2811%294-10%289-13%296%2812%298-3-2-7%2Fh5%2C11H%2C2-4H2%2C1H3%2C%28H%2C8%2C12%29,12.0,0.0,6.0,1.0,52.0,0.5034,0.0,2.0,0.0,0.5,0.0,0.0,0.0,49.8326,13.0,85.49,197.536995887756,7.40816326530612,6.12244897959184,12.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,13.0,7.0,6.0,8.0,6.0
InChI%3D1S%2FC16H14O6%2Fc17-10-2-1-8-13-9-4-12%2819%2911%2818%293-7%289%295-16%2813%2C21%296-22-15%288%2914%2810%2920%2Fh1-4%2C13%2C17-21H%2C5-6H2,25.0,1.0,6.0,0.0,130.0,1.3205,0.0,1.0,0.0,0.0,0.0,0.0,12.0,75.535,15.5232,110.38,288.169992446899,5.25,2.25921521997622,25.0,5.0,0.0,4.0,0.0,0.0,0.0,5.0,1.0,22.0,9.0,6.0,10.0,0.0
InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3,2.0,0.0,0.0,1.0,6.0,1.4012,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.468,3.0,0.0,103.925998687744,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,3.0,1.0,0.0,2.0,0.0
InChI%3D1S%2FC11H14N2O4%2Fc1-8%282%2916-9-6-4-5-7-10%289%2917-11%2814%2913%283%2912-15%2Fh4-8H%2C1-3H3,17.0,0.0,6.0,0.0,78.0,2.5858,0.0,0.0,0.0,0.352941176470588,0.0,0.0,6.0,61.788,15.0588235294118,68.2,224.130994796753,7.43801652892562,5.0176,17.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,17.0,8.0,6.0,9.0,6.0
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,5.0,1.0,1.0,0.0,20.0,1.2796,0.0,0.0,0.0,0.0,0.0,0.0,5.0,18.708,3.2,13.14,64.0429983139038,1.44,0.64,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.0,1.0,0.0,2.0,0.0
InChI%3D1S%2FC13H11NO5%2Fc1-2-14-5-8%2813%2816%2917%2912%2815%297-3-10-11%284-9%287%2914%2919-6-18-10%2Fh3-5H%2C2%2C6H2%2C1H3%2C%28H%2C16%2C17%29,21.0,2.0,6.0,0.0,104.0,0.113599999999999,0.0,0.0,0.0,0.0952380952380952,0.0,0.0,11.0,65.022,13.9591836734694,80.59,250.144993782043,5.41311134235172,2.3801652892562,21.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,1.0,19.0,7.0,4.0,8.0,2.0
InChI%3D1S%2FC11H11N5%2Fc12-10-7-6-9%2811%2813%2914-10%2916-15-8-4-2-1-3-5-8%2Fh1-7H%2C%28H4%2C12%2C13%2C14%29,17.0,1.0,4.0,0.0,78.0,2.4918,0.0,0.0,0.0,0.117647058823529,0.0,0.0,12.0,61.6778,12.4567474048443,90.38,202.155996322632,6.07438016528926,3.76923076923077,17.0,3.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,16.0,9.0,4.0,10.0,2.0
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,6.0,1.0,3.0,0.0,26.0,-0.3602,0.0,0.0,0.0,0.0,0.0,0.0,0.0,23.9281,4.16666666666667,63.19,96.1140003204346,1.63265306122449,0.979591836734694,6.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,6.0,2.0,3.0,3.0,0.0
InChI%3D1S%2FC4H9N3O3%2Fc5-4%289%297%286-10%292-1-3-8%2Fh8H%2C1-3H2%2C%28H2%2C5%2C9%29,9.0,0.0,6.0,0.0,38.0,-0.155,0.0,2.0,0.0,0.555555555555556,0.0,0.0,0.0,34.5593,10.0,96.98,138.061997413635,5.76,4.48,9.0,3.0,1.0,0.0,0.0,0.0,0.0,3.0,1.0,10.0,5.0,6.0,6.0,5.0
InChI%3D1S%2FC5H3Cl5%2Fc1-2%284%287%298%293%286%295%289%2910%2Fh1H3,9.0,0.0,0.0,5.0,42.0,4.581,0.0,0.0,0.0,0.111111111111111,0.0,0.0,0.0,48.991,10.0,0.0,237.319993972778,4.0,3.11111111111111,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,10.0,4.0,0.0,5.0,1.0
InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2,11.0,0.0,2.0,0.0,52.0,1.4058,0.0,0.0,0.0,0.0909090909090909,0.0,0.0,6.0,41.3412,9.09090909090909,92.07,148.076996803284,3.6,2.21453287197232,11.0,2.0,0.0,1.0,0.0,0.0,1.0,1.0,1.0,11.0,4.0,4.0,5.0,1.0
InChI%3D1S%2FC2H3N3O%2Fc1-5%282-3%294-6%2Fh1H3,5.0,0.0,4.0,0.0,20.0,0.0806800000000001,0.0,0.0,0.0,0.2,0.0,0.0,0.0,19.171,6.0,56.46,82.0419988632202,3.2,3.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,6.0,3.0,4.0,4.0,1.0
InChI%3D1S%2FC4H10N2S%2Fc1-5-4%287%296%282%293%2Fh1-3H3%2C%28H%2C5%2C7%29,6.0,0.0,3.0,0.0,26.0,0.4636,0.0,0.0,0.0,0.166666666666667,0.0,0.0,0.0,36.032,7.0,54.4,108.125,3.06122448979592,2.66666666666667,6.0,1.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,7.0,3.0,3.0,4.0,1.0
InChI%3D1S%2FC14H12N4O3S%2Fc19-8-7-15-13-9-3-1-2-4-10%289%2916-14%2817-13%2911-5-6-12%2822-11%2918%2820%2921%2Fh1-6%2C19H%2C7-8H2%2C%28H%2C15%2C16%2C17%29,24.0,2.0,4.0,0.0,114.0,2.6158,0.0,1.0,0.0,0.166666666666667,0.0,0.0,16.0,85.7445,16.84375,135.33,304.245995521545,7.71349862258953,3.92561983471074,24.0,2.0,0.0,0.0,0.0,0.0,1.0,2.0,1.0,22.0,10.0,5.0,11.0,4.0
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3,16.0,0.0,4.0,0.0,68.0,4.5446,0.0,0.0,0.0,0.75,0.0,6.0,0.0,70.1865,17.0,54.57,239.10199546814,11.1111111111111,9.67901234567901,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,17.0,9.0,4.0,10.0,12.0
InChI%3D1S%2FC18H15N3O%2Fc1-21%2820-22%2916-10-7-14%288-11-16%296-9-15-12-13-19-18-5-3-2-4-17%2815%2918%2Fh2-13H%2C1H3,24.0,1.0,4.0,0.0,112.0,4.5228,0.0,0.0,0.0,0.166666666666667,0.0,0.0,17.0,91.311,16.84375,45.56,274.217993736267,8.203125,4.30839002267574,24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,22.0,12.0,4.0,13.0,4.0
InChI%3D1S%2FC2H2ClF3%2Fc3-1-2%284%2C5%296%2Fh1H2,5.0,0.0,0.0,4.0,24.0,1.7875,0.0,0.0,0.0,0.2,0.0,0.0,0.0,16.775,6.0,0.0,116.468996047974,1.63265306122449,5.33333333333333,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,6.0,2.0,0.0,3.0,1.0
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,9.0,0.0,0.0,0.0,40.0,2.118,0.0,0.0,0.0,0.111111111111111,0.0,0.0,6.0,35.264,7.11111111111111,45.82,118.070997238159,3.2396694214876,2.0,9.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,9.0,4.0,2.0,5.0,1.0
InChI%3D1S%2FC12H19NO3%2Fc1-12%282%2C3%2913-7-11%2816%298-4-9%2814%296-10%2815%295-8%2Fh4-6%2C11%2C13-16H%2C7H2%2C1-3H3,16.0,0.0,3.0,0.0,78.0,0.4931,0.0,1.0,0.0,0.25,0.0,0.0,6.0,63.4108,14.0625,77.3,206.135994911194,5.55765595463138,5.26446280991736,16.0,4.0,1.0,2.0,0.0,0.0,0.0,3.0,1.0,16.0,7.0,3.0,8.0,4.0
InChI%3D1S%2FC3H3N3O2S%2Fc4-3-5-1-2%289-3%296%287%298%2Fh1H%2C%28H2%2C4%2C5%29,9.0,1.0,2.0,0.0,42.0,0.9871,0.0,0.0,0.0,0.111111111111111,0.0,0.0,5.0,33.3464,7.11111111111111,113.7,142.118999481201,2.72222222222222,1.70414201183432,9.0,2.0,0.0,0.0,0.0,0.0,1.0,2.0,1.0,9.0,4.0,3.0,5.0,1.0
InChI%3D1S%2FC4H8N2O2%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2,8.0,1.0,4.0,0.0,34.0,-0.0621,0.0,0.0,0.0,0.125,0.0,0.0,0.0,25.9672,6.125,41.9,108.055997848511,3.11111111111111,1.8,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,4.0,4.0,5.0,1.0
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,10.0,1.0,1.0,0.0,46.0,2.4328,0.0,0.0,0.0,0.0,0.0,0.0,10.0,36.214,5.76,13.14,112.086997032166,2.31952662721893,0.996539792387543,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,9.0,3.0,0.0,4.0,0.0
InChI%3D1S%2FC6H14N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-6H2%2C1-2H3,8.0,0.0,3.0,0.0,32.0,1.7898,0.0,0.0,0.0,0.625,0.0,2.0,0.0,37.95,9.0,32.67,116.078997612,6.125,4.5,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,9.0,5.0,3.0,6.0,5.0
InChI%3D1S%2FC17H22N2%2Fc1-18%282%2916-9-5-14%286-10-16%2913-15-7-11-17%2812-8-15%2919%283%294%2Fh5-12H%2C13H2%2C1-4H3,20.0,0.0,2.0,0.0,94.0,3.4094,0.0,0.0,0.0,0.2,0.0,0.0,12.0,84.344,15.39,6.48,232.200994491577,7.1358024691358,4.5,20.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,19.0,11.0,2.0,12.0,4.0
InChI%3D1S%2FC9H11N3O2%2Fc13-10-12-6-2-4-9%2812%298-3-1-5-11%2814%297-8%2Fh1%2C3%2C5%2C7%2C9H%2C2%2C4%2C6H2,15.0,2.0,4.0,0.0,70.0,1.0762,0.0,0.0,0.0,0.133333333333333,0.0,0.0,6.0,49.7922,10.5155555555556,58.13,182.11799621582,4.68,2.34319526627219,15.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,14.0,6.0,4.0,7.0,2.0
InChI%3D1S%2FC8H5N3O4S%2Fc12-4-9-8-10-5%283-16-8%296-1-2-7%2815-6%2911%2813%2914%2Fh1-4H%2C%28H%2C9%2C10%2C12%29,17.0,2.0,5.0,0.0,80.0,3.0523,0.0,1.0,0.0,0.176470588235294,0.0,0.0,10.0,59.4188,12.4567474048443,132.68,234.171997070312,5.55765595463138,3.02972651605232,17.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,1.0,16.0,9.0,5.0,10.0,3.0
InChI%3D1S%2FC2H5ClO%2Fc1-4-2-3%2Fh2H2%2C1H3,3.0,0.0,1.0,1.0,10.0,0.8291,0.0,0.0,0.0,0.333333333333333,0.0,0.0,0.0,17.729,4.0,9.23,75.4739980697632,3.0,4.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,4.0,2.0,1.0,3.0,1.0
InChI%3D1S%2FC6H10N2O3%2Fc1-5%289%293-8%287-11%294-6%282%2910%2Fh3-4H2%2C1-2H3,10.0,0.0,5.0,0.0,44.0,0.1478,0.0,0.0,0.0,0.5,0.0,0.0,0.0,38.73,11.0,66.81,148.076996803284,5.625,6.4,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,11.0,5.0,5.0,6.0,5.0
InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29,5.0,0.0,2.0,2.0,22.0,-0.46,0.0,0.0,0.0,0.2,0.0,0.0,0.0,21.1875,6.0,40.13,126.925996780396,2.22222222222222,3.0,5.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,1.0,6.0,2.0,1.0,3.0,1.0
InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3,13.0,1.0,2.0,0.0,60.0,2.3678,0.0,0.0,0.0,0.153846153846154,0.0,1.0,6.0,46.56,8.59171597633136,18.46,152.107995986938,3.80622837370242,1.8595041322314,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,12.0,6.0,2.0,7.0,2.0
InChI%3D1S%2FC7H10N2O%2Fc1-10-7-3-2-5%288%294-6%287%299%2Fh2-4H%2C8-9H2%2C1H3,10.0,0.0,3.0,0.0,46.0,0.8596,0.0,0.0,0.0,0.1,0.0,0.0,6.0,41.8188,8.1,61.27,128.089997291565,3.40828402366864,1.99111111111111,10.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,10.0,5.0,3.0,6.0,1.0
InChI%3D1S%2FC13H12Cl2N2%2Fc14-10-6-8%281-3-12%2810%2916%295-9-2-4-13%2817%2911%2815%297-9%2Fh1-4%2C6-7H%2C5%2C16-17H2,18.0,0.0,2.0,2.0,86.0,3.7486,0.0,0.0,0.0,0.111111111111111,0.0,0.0,12.0,74.5348,13.4320987654321,52.04,255.062994003296,5.76,3.48444444444444,18.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,17.0,9.0,2.0,10.0,2.0
InChI%3D1S%2FC5H11N3O2%2Fc1-2-3-4-8%287-10%295%286%299%2Fh2-4H2%2C1H3%2C%28H2%2C6%2C9%29,9.0,0.0,5.0,0.0,38.0,1.2627,0.0,1.0,0.0,0.555555555555556,0.0,2.0,0.0,37.7645,10.0,76.75,134.073997497559,5.76,4.48,9.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,10.0,5.0,5.0,6.0,5.0
InChI%3D1S%2FC8H11NO%2Fc1-6-5-7%2810-2%293-4-8%286%299%2Fh3-5H%2C9H2%2C1-2H3,10.0,0.0,2.0,0.0,46.0,1.5858,0.0,0.0,0.0,0.1,0.0,0.0,6.0,42.1434,8.1,35.25,126.093997001648,3.40828402366864,1.99111111111111,10.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,10.0,5.0,2.0,6.0,1.0
InChI%3D1S%2FC12H15ClO3%2Fc1-4-15-11%2814%2912%282%2C3%2916-10-7-5-9%2813%296-8-10%2Fh5-8H%2C4H2%2C1-3H3,16.0,0.0,3.0,1.0,76.0,3.0605,0.0,0.0,0.0,0.3125,0.0,0.0,6.0,62.792,14.0625,35.53,227.581994056702,6.07438016528926,4.42361111111111,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,16.0,9.0,3.0,10.0,5.0
InChI%3D1S%2FC10H22N2O%2Fc1-3-5-7-9-12%2811-13%2910-8-6-4-2%2Fh3-10H2%2C1-2H3,12.0,0.0,3.0,0.0,48.0,3.3502,0.0,0.0,0.0,0.75,0.0,6.0,0.0,56.418,13.0,32.67,164.122996330261,10.0833333333333,8.33333333333333,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,13.0,9.0,3.0,10.0,9.0
InChI%3D1S%2FC6H7ClN2%2Fc7-5-2-1-4%288%293-6%285%299%2Fh1-3H%2C8-9H2,9.0,0.0,2.0,1.0,42.0,1.5044,0.0,0.0,0.0,0.0,0.0,0.0,6.0,40.2768,7.11111111111111,52.04,135.532997131348,2.72222222222222,1.70414201183432,9.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,9.0,4.0,2.0,5.0,0.0
InChI%3D1S%2FC7H8O2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4%2C8-9H%2C1H3,9.0,0.0,2.0,0.0,42.0,1.4062,0.0,0.0,0.0,0.0,0.0,0.0,6.0,34.5086,7.11111111111111,40.46,116.074996948242,2.72222222222222,1.70414201183432,9.0,2.0,0.0,2.0,0.0,0.0,0.0,2.0,1.0,9.0,4.0,2.0,5.0,0.0
InChI%3D1S%2FC2H6O3P%2Fc1-4-6%283%295-2%2Fh1-2H3%2Fq%2B1,5.0,0.0,3.0,0.0,20.0,0.9366,0.0,0.0,0.0,0.4,0.0,0.0,0.0,21.6245,6.0,69.67,102.992999076843,3.2,3.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,6.0,3.0,3.0,4.0,2.0
InChI%3D1S%2FC13H12N4%2Fc1-17-11-7-10%289-5-3-2-4-6-9%298-15-12%2811%2916-13%2817%2914%2Fh2-8H%2C1H3%2C%28H2%2C14%2C15%2C16%29,19.0,2.0,3.0,0.0,92.0,2.0479,0.0,0.0,0.0,0.0526315789473684,0.0,0.0,16.0,66.3554,12.0554016620499,57.46,212.17099571228,4.93827160493827,2.29072315558802,19.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,17.0,8.0,2.0,9.0,1.0
InChI%3D1S%2FC5H10N2O2%2Fc1-2-3-7%286-9%294-5-8%2Fh2%2C8H%2C1%2C3-5H2,8.0,0.0,4.0,0.0,32.0,0.1481,0.0,1.0,0.0,0.625,0.0,0.0,0.0,34.6508,9.0,52.9,120.066997528076,6.125,4.5,8.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,9.0,5.0,4.0,6.0,5.0
InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3,4.0,1.0,1.0,0.0,18.0,0.4051,0.0,0.0,0.0,0.0,0.0,0.0,0.0,15.414,2.25,12.53,52.0319986343384,0.48,0.16,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,4.0,1.0,1.0,2.0,0.0
InChI%3D1S%2FC6H12N2O4%2Fc1-4%289%292-7-3-5%2810%296%2811%298-12%2Fh5-7%2C10-11H%2C2-3H2%2C1H3,11.0,0.0,5.0,0.0,48.0,-2.4155,0.0,2.0,0.0,0.545454545454545,0.0,0.0,0.0,42.283,12.0,103.57,164.075996398926,6.50887573964497,6.25,11.0,3.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,12.0,7.0,5.0,8.0,6.0
InChI%3D1S%2FC9H10N4O4%2Fc1-6-5-12%289%2814%2911-6%2910-4-7-2-3-8%2817-7%2913%2815%2916%2Fh2-4%2C6H%2C5H2%2C1H3%2C%28H%2C11%2C14%29,18.0,2.0,5.0,0.0,86.0,1.0365,0.0,1.0,0.0,0.166666666666667,0.0,0.0,5.0,56.3272,13.4320987654321,107.15,228.122995376587,5.76,3.48444444444444,18.0,1.0,1.0,0.0,0.0,0.0,1.0,1.0,1.0,17.0,9.0,6.0,10.0,3.0
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,8.0,1.0,4.0,0.0,36.0,-0.1122,0.0,0.0,0.0,0.0,0.0,0.0,6.0,25.3616,6.125,66.24,108.055997848511,2.52,1.8,8.0,2.0,0.0,2.0,0.0,0.0,0.0,2.0,1.0,8.0,3.0,4.0,4.0,0.0
InChI%3D1S%2FC10H15N3O2%2Fc1-13%2812-15%297-3-5-10%2814%299-4-2-6-11-8-9%2Fh2%2C4%2C6%2C8%2C10%2C14H%2C3%2C5%2C7H2%2C1H3,15.0,1.0,5.0,0.0,66.0,1.5084,0.0,1.0,0.0,0.4,0.0,0.0,6.0,56.8558,13.0666666666667,65.79,194.128995895386,7.30246913580247,5.04,15.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,15.0,9.0,5.0,10.0,6.0
InChI%3D1S%2FC3H6N6%2Fc4-1-7-2%285%299-3%286%298-1%2Fh%28H6%2C4%2C5%2C6%2C7%2C8%2C9%29,9.0,1.0,3.0,0.0,42.0,-1.8906,0.0,0.0,0.0,0.0,0.0,0.0,6.0,27.0582,7.11111111111111,118.92,120.074998855591,2.72222222222222,2.0,9.0,6.0,0.0,0.0,0.0,0.0,0.0,6.0,1.0,9.0,3.0,3.0,4.0,0.0
InChI%3D1S%2FC13H13N3%2Fc1-7-12-11%288%282%2915-13%287%2914%299-5-3-4-6-10%289%2916-12%2Fh3-6%2C16H%2C1-2H3%2C%28H2%2C14%2C15%29,18.0,2.0,1.0,0.0,90.0,2.7455,0.0,0.0,0.0,0.0,0.0,0.0,15.0,65.4841,11.1111111111111,55.43,198.163995742798,4.03292181069959,1.67521367521368,18.0,3.0,0.0,0.0,0.0,0.0,0.0,3.0,1.0,16.0,6.0,1.0,7.0,0.0
InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2,5.0,0.0,0.0,2.0,18.0,2.0202,0.0,0.0,0.0,0.4,0.0,0.0,0.0,30.58,6.0,0.0,118.949996948242,5.0,5.33333333333333,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,6.0,4.0,0.0,5.0,2.0
InChI%3D1S%2FC12H4Cl6%2Fc13-7-3-1-5%289%2815%2911%287%2917%296-2-4-8%2814%2912%2818%2910%286%2916%2Fh1-4H,19.0,0.0,0.0,6.0,94.0,7.274,0.0,0.0,0.0,0.0526315789473684,0.0,0.0,12.0,81.938,14.409972299169,0.0,356.849990844727,5.55102040816327,2.65927977839335,19.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,18.0,8.0,0.0,9.0,1.0
InChI%3D1S%2FC12H10N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H,15.0,0.0,2.0,0.0,66.0,4.102,0.0,0.0,0.0,0.133333333333333,0.0,0.0,12.0,57.06,10.5155555555556,24.72,172.14599609375,5.77777777777778,3.59183673469388,15.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,14.0,8.0,2.0,9.0,2.0
InChI%3D1S%2FC18H22ClNO%2Fc1-16%2815-21-18-10-6-3-7-11-18%2920%2813-12-19%2914-17-8-4-2-5-9-17%2Fh2-11%2C16H%2C12-15H2%2C1H3,22.0,0.0,1.0,1.0,98.0,2.7778,0.0,0.0,0.0,0.363636363636364,0.0,0.0,12.0,90.2287,17.3553719008264,13.67,281.656992912292,9.9039780521262,6.328125,22.0,1.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,21.0,11.0,1.0,12.0,8.0
InChI%3D1S%2FC5H8O2%2Fc1-5%282%293-7-4%285%296%2Fh3H2%2C1-2H3,7.0,1.0,2.0,0.0,36.0,0.5694,0.0,0.0,0.0,0.0,0.0,2.0,0.0,24.74,5.14285714285714,26.3,92.0529975891113,1.2396694214876,0.666666666666667,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,7.0,2.0,2.0,3.0,0.0
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,6.0,0.0,0.0,0.0,24.0,1.6866,0.0,0.0,0.0,0.0,0.0,0.0,6.0,26.442,4.16666666666667,0.0,72.0659980773926,2.22222222222222,1.33333333333333,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,6.0,2.0,0.0,3.0,0.0
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,2.0,0.0,0.0,1.0,6.0,1.3687,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.05,3.0,0.0,59.4749984741211,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,3.0,1.0,0.0,2.0,0.0
InChI%3D1S%2FC2H3Br%2Fc1-2-3%2Fh2H%2C1H2,2.0,0.0,0.0,1.0,6.0,1.5248,0.0,0.0,0.0,0.0,0.0,0.0,0.0,19.124,3.0,0.0,103.925998687744,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,3.0,1.0,0.0,2.0,0.0
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,8.0,0.0,0.0,2.0,36.0,2.9934,0.0,0.0,0.0,0.0,0.0,0.0,6.0,36.462,6.125,0.0,142.971996307373,2.52,1.8,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,4.0,0.0,5.0,0.0
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,12.0,0.0,0.0,6.0,60.0,5.607,0.0,0.0,0.0,0.0,0.0,0.0,6.0,56.502,10.0833333333333,0.0,284.783992767334,3.39506172839506,1.5625,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,12.0,4.0,0.0,5.0,0.0
InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,3.0,0.0,2.0,0.0,12.0,0.5416,0.0,1.0,0.0,0.0,0.0,0.0,0.0,16.0295,4.0,44.08,54.0279989242554,1.33333333333333,0.0,3.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,4.0,1.0,2.0,2.0,0.0
InChI%3D1S%2FC20H19NO3%2Fc1-20%282%2910-9-13-15%2824-20%2911-16%2823-4%2917-18%2813%2921%283%2914-8-6-5-7-12%2814%2919%2817%2922%2Fh5-11H%2C1-4H3,27.0,2.0,4.0,0.0,138.0,3.8845,0.0,0.0,0.0,0.037037037037037,0.0,0.0,16.0,96.988,17.4156378600823,40.46,302.223992347717,6.31065759637188,2.82333333333333,27.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,24.0,9.0,3.0,10.0,1.0
InChI%3D1S%2FC5H12N2O3%2Fc1-5%289%294-7%286-10%292-3-8%2Fh5%2C8-9H%2C2-4H2%2C1H3,9.0,0.0,5.0,0.0,38.0,-0.6571,0.0,2.0,0.0,0.555555555555556,0.0,0.0,0.0,36.1346,10.0,73.13,136.065997123718,5.76,5.53086419753086,9.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,10.0,5.0,5.0,6.0,5.0
InChI%3D1S%2FC22H32O2%2Fc1-17%289-7-10-18%282%2914-16-24-20%284%2923%2912-13-21-19%283%2911-8-15-22%2821%2C5%296%2Fh7%2C9-10%2C12-14H%2C8%2C11%2C15-16H2%2C1-6H3,24.0,0.0,2.0,0.0,112.0,6.0811,0.0,0.0,0.0,0.291666666666667,0.0,4.0,0.0,102.759,22.0416666666667,26.3,296.239992141724,10.87109375,8.79238754325259,24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,24.0,14.0,2.0,15.0,7.0
InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296,5.0,0.0,0.0,4.0,22.0,1.991,0.0,0.0,0.0,0.0,0.0,0.0,0.0,11.458,6.0,0.0,100.013996124268,2.22222222222222,3.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,6.0,2.0,0.0,3.0,0.0
InChI%3D1S%2FC8H8N2O2%2Fc1-10%289-12%298%2811%297-5-3-2-4-6-7%2Fh2-6H%2C1H3,12.0,0.0,4.0,0.0,54.0,1.44,0.0,0.0,0.0,0.25,0.0,0.0,6.0,44.3305,10.0833333333333,49.74,156.099996566772,4.88888888888889,2.77777777777778,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,12.0,6.0,4.0,7.0,3.0
InChI%3D1S%2FC5H3Cl3O3%2Fc6-2-1%283%287%298%294%289%2911-5%282%2910%2Fh3-4%2C9H,11.0,1.0,3.0,3.0,54.0,1.1582,0.0,1.0,0.0,0.0909090909090909,0.0,0.0,0.0,40.4718,9.09090909090909,46.53,214.410994529724,3.1640625,1.6,11.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,11.0,4.0,3.0,5.0,1.0
InChI%3D1S%2FC18H20O2%2Fc1-3-17%2813-5-9-15%2819%2910-6-13%2918%284-2%2914-7-11-16%2820%2912-8-14%2Fh5-12%2C19-20H%2C3-4H2%2C1-2H3,21.0,0.0,2.0,0.0,98.0,4.8286,0.0,0.0,0.0,0.19047619047619,0.0,2.0,12.0,83.6096,16.3718820861678,40.46,248.195993423462,7.85204081632653,4.25,21.0,2.0,0.0,2.0,0.0,0.0,0.0,2.0,1.0,20.0,10.0,2.0,11.0,4.0
InChI%3D1S%2FC10H9N3O3%2Fc1-6-5-7%282%2912-10%2811-6%298-3-4-9%2816-8%2913%2814%2915%2Fh3-5H%2C1-2H3,17.0,2.0,3.0,0.0,82.0,2.7848,0.0,0.0,0.0,0.117647058823529,0.0,0.0,11.0,58.03,12.4567474048443,84.74,210.127995491028,5.10416666666667,3.02972651605232,17.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,16.0,7.0,4.0,8.0,2.0
InChI%3D1S%2FC14H16N2%2Fc1-9-7-11%283-5-13%289%2915%2912-4-6-14%2816%2910%282%298-12%2Fh3-8H%2C15-16H2%2C1-2H3,17.0,0.0,2.0,0.0,82.0,3.1348,0.0,0.0,0.0,0.0588235294117647,0.0,0.0,12.0,70.1768,12.4567474048443,52.04,196.167995452881,5.10416666666667,2.83111111111111,17.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,16.0,8.0,2.0,9.0,1.0
InChI%3D1S%2FC3H7N3O2%2Fc1-2-6%285-8%293%284%297%2Fh2H2%2C1H3%2C%28H2%2C4%2C7%29,7.0,0.0,5.0,0.0,30.0,0.4825,0.0,1.0,0.0,0.428571428571429,0.0,0.0,0.0,28.5305,8.0,76.75,110.051998138428,3.9375,2.8125,7.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,8.0,3.0,5.0,4.0,3.0
InChI%3D1S%2FC5H12N2S%2Fc1-3-6-5%288%297-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C6%2C7%2C8%29,7.0,0.0,3.0,0.0,28.0,0.9016,0.0,0.0,0.0,0.428571428571429,0.0,0.0,0.0,40.6387,8.0,63.19,120.135999679565,5.14285714285714,5.0,7.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,8.0,5.0,3.0,6.0,3.0
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,8.0,0.0,0.0,0.0,34.0,2.3296,0.0,0.0,0.0,0.125,0.0,0.0,6.0,36.533,6.125,0.0,96.0879974365234,3.11111111111111,1.8,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,4.0,0.0,5.0,1.0
InChI%3D1S%2FC13H16N4O6%2Fc18-13-16%2814-7-10-1-2-12%2822-10%2917%2819%2920%299-11%2823-13%298-15-3-5-21-6-4-15%2Fh1-2%2C7%2C11H%2C3-6%2C8-9H2,25.0,3.0,6.0,0.0,118.0,1.2879,0.0,0.0,0.0,0.2,0.0,0.0,5.0,75.8811,17.8112,114.53,308.164993286133,8.39273356401384,4.98866213151927,25.0,1.0,1.0,0.0,0.0,0.0,1.0,1.0,1.0,23.0,13.0,7.0,14.0,5.0
InChI%3D1S%2FC10H13N3O2%2Fc1-13%2812-15%297-3-5-10%2814%299-4-2-6-11-8-9%2Fh2%2C4%2C6%2C8H%2C3%2C5%2C7H2%2C1H3,15.0,1.0,5.0,0.0,66.0,1.6577,0.0,0.0,0.0,0.4,0.0,0.0,6.0,56.2265,13.0666666666667,62.63,194.128995895386,7.30246913580247,5.04,15.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,15.0,9.0,5.0,10.0,6.0
InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3,11.0,0.0,3.0,1.0,48.0,3.0988,0.0,0.0,0.0,0.545454545454545,0.0,0.0,0.0,62.97,12.0,60.63,209.681999206543,6.50887573964497,5.32544378698225,11.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,12.0,6.0,3.0,7.0,6.0
InChI%3D1S%2FC21H33NO7%2Fc1-7-13%282%2918%2823%2929-16-9-11-22-10-8-15%2817%2816%2922%2912-28-19%2824%2921%2826%2C14%283%2927-6%2920%284%2C5%2925%2Fh7-8%2C14%2C16-17%2C25-26H%2C9-12H2%2C1-6H3,30.0,2.0,7.0,0.0,150.0,1.1109,0.0,2.0,0.0,0.333333333333333,0.0,0.0,0.0,104.7925,25.2622222222222,106.73,378.230990409851,10.08,5.25777777777778,30.0,3.0,1.0,0.0,0.0,0.0,0.0,3.0,1.0,29.0,13.0,7.0,14.0,10.0
InChI%3D1S%2FC8H6N4O4S%2Fc13-4-9-11-8-10-5%283-17-8%296-1-2-7%2816-6%2912%2814%2915%2Fh1-4H%2C%28H%2C9%2C13%29%28H%2C10%2C11%29,18.0,2.0,6.0,0.0,84.0,2.7477,0.0,1.0,0.0,0.222222222222222,0.0,0.0,10.0,63.3815,13.4320987654321,144.71,248.178997039795,6.25,3.48444444444444,18.0,2.0,0.0,0.0,0.0,0.0,1.0,2.0,1.0,17.0,10.0,6.0,11.0,4.0
InChI%3D1S%2FC6H14NO4P%2Fc1-9-12%288%2C10-2%297-3-5-11-6-4-7%2Fh3-6H2%2C1-2H3,12.0,1.0,5.0,0.0,56.0,0.6574,0.0,0.0,0.0,0.25,0.0,0.0,0.0,41.7967,10.0833333333333,57.81,181.042997360229,4.296875,2.25,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,12.0,5.0,5.0,6.0,3.0
InChI%3D1S%2FC4H10N2O2%2Fc1-6%285-8%293-2-4-7%2Fh7H%2C2-4H2%2C1H3,7.0,0.0,4.0,0.0,28.0,-0.018,0.0,1.0,0.0,0.571428571428571,0.0,0.0,0.0,30.1278,8.0,52.9,108.055997848511,5.14285714285714,5.0,7.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,8.0,5.0,4.0,6.0,4.0
InChI%3D1S%2FC14H13N3O2S%2Fc1-19-13-7-9%2820%282%2918%293-4-10%2813%2914-16-11-5-6-15-8-12%2811%2917-14%2Fh3-8H%2C1-2H3%2C%28H%2C16%2C17%29,22.0,2.0,4.0,0.0,106.0,3.2366,0.0,0.0,0.0,0.136363636363636,0.0,0.0,16.0,78.3442,14.9173553719008,87.08,274.239995956421,6.40582726326743,3.12244897959184,22.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,20.0,9.0,4.0,10.0,3.0
InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2,14.0,1.0,3.0,0.0,66.0,1.6347,0.0,1.0,0.0,0.142857142857143,0.0,0.0,6.0,47.7218,9.55102040816327,38.69,168.106995582581,4.02216066481994,1.92,14.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,13.0,6.0,3.0,7.0,2.0
InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,16.0,0.0,3.0,0.0,74.0,3.0022,0.0,0.0,0.0,0.125,0.0,0.0,12.0,65.8318,11.484375,77.34,204.212997436523,5.36507936507936,3.5,16.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,15.0,9.0,3.0,10.0,2.0
InChI%3D1S%2FC20H22O3%2Fc1-20%282%2C19%2821%2922%2923-16-12-10-15%2811-13-16%2918-9-5-7-14-6-3-4-8-17%2814%2918%2Fh3-4%2C6%2C8%2C10-13%2C18H%2C5%2C7%2C9H2%2C1-2H3%2C%28H%2C21%2C22%29,25.0,0.0,3.0,0.0,122.0,3.0621,0.0,0.0,0.0,0.16,0.0,0.0,12.0,88.0655,17.8112,49.36,288.216992378235,7.48611111111111,4.15879017013232,25.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,1.0,23.0,11.0,2.0,12.0,4.0
InChI%3D1S%2FC26H36O6%2Fc1-4-5-6-22-31-21-12-18-17-8-7-15-11-16%2828%299-10-24%2815%2C2%2923%2817%2919%2829%2913-25%2818%2C3%2926%2821%2C32-22%2920%2830%2914-27%2Fh9-11%2C17-19%2C21-23%2C27%2C29H%2C4-8%2C12-14H2%2C1-3H3,36.0,1.0,6.0,0.0,188.0,3.1069,0.0,2.0,0.0,0.138888888888889,0.0,8.0,0.0,117.4836,23.7283950617284,93.06,408.279989242554,8.29369797859691,3.22222222222222,36.0,2.0,0.0,0.0,0.0,0.0,0.0,2.0,1.0,32.0,14.0,6.0,15.0,5.0
InChI%3D1S%2FC9H12N2O2%2Fc1-2-13-8-5-3-7%284-6-8%2911-9%2810%2912%2Fh3-6H%2C2H2%2C1H3%2C%28H3%2C10%2C11%2C12%29,13.0,0.0,4.0,0.0,58.0,1.99,0.0,1.0,0.0,0.307692307692308,0.0,0.0,6.0,51.5892,11.0769230769231,65.34,168.110996246338,5.671875,4.1522491349481,13.0,3.0,1.0,0.0,0.0,0.0,0.0,3.0,1.0,13.0,8.0,4.0,9.0,4.0
InChI%3D1S%2FC7H9NO2S%2Fc1-6-4-2-3-5-7%286%2911%288%2C9%2910%2Fh2-5H%2C1H3%2C%28H2%2C8%2C9%2C10%29,11.0,0.0,3.0,0.0,54.0,1.7232,0.0,0.0,2.0,0.0909090909090909,0.0,0.0,6.0,42.5964,9.09090909090909,68.54,162.148998260498,3.1640625,2.21453287197232,11.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,11.0,4.0,3.0,5.0,1.0
InChI%3D1S%2FC9H8O4%2Fc10-7-3-1-6%285-8%287%2911%292-4-9%2812%2913%2Fh1-5%2C10-11H%2C%28H%2C12%2C13%29,13.0,0.0,4.0,0.0,60.0,-0.1391,0.0,0.0,0.0,0.153846153846154,0.0,0.0,6.0,44.4991,11.0769230769231,80.59,172.094995498657,5.0242214532872,3.7037037037037,13.0,2.0,0.0,2.0,1.0,0.0,0.0,3.0,1.0,13.0,7.0,3.0,8.0,2.0
InChI%3D1S%2FC3H6O3S%2Fc4-7%285%293-1-2-6-7%2Fh1-3H2,7.0,1.0,3.0,0.0,34.0,0.8173,0.0,0.0,2.0,0.0,0.0,0.0,0.0,24.4,5.14285714285714,51.75,116.096999168396,1.5,1.18518518518519,7.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,7.0,2.0,3.0,3.0,0.0
InChI%3D1S%2FCHBr3%2Fc2-1%283%294%2Fh1H,3.0,0.0,0.0,3.0,12.0,2.4547,0.0,0.0,0.0,0.0,0.0,0.0,0.0,30.569,4.0,0.0,251.722997665405,1.33333333333333,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,4.0,1.0,0.0,2.0,0.0
InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3,10.0,0.0,0.0,0.0,46.0,2.4264,0.0,0.0,0.0,0.1,0.0,0.0,6.0,40.001,8.1,45.82,130.081996917725,3.40828402366864,1.99111111111111,10.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,10.0,4.0,2.0,5.0,1.0
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,6.0,1.0,1.0,0.0,24.0,1.0816,0.0,0.0,0.0,0.0,0.0,0.0,6.0,24.237,4.16666666666667,12.89,74.0619983673096,2.22222222222222,1.33333333333333,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,6.0,2.0,1.0,3.0,0.0
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,5.0,0.0,0.0,3.0,20.0,2.0714,0.0,0.0,0.0,0.4,0.0,0.0,0.0,31.081,6.0,0.0,142.391996383667,3.2,3.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,6.0,3.0,0.0,4.0,2.0
InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2,3.0,0.0,0.0,2.0,10.0,1.7762,0.0,0.0,0.0,0.333333333333333,0.0,0.0,0.0,27.588,4.0,0.0,183.829998016357,3.0,4.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,4.0,2.0,0.0,3.0,1.0
InChI%3D1S%2FC7H11N5O2%2Fc1-8-7%2813%295-6%2812%283%2910-14%299-4-11%285%292%2Fh4H%2C1-3H3%2C%28H%2C8%2C13%29,14.0,1.0,7.0,0.0,66.0,0.4721,0.0,1.0,0.0,0.214285714285714,0.0,0.0,5.0,52.4958,12.0714285714286,83.08,186.109996795654,5.18559556786704,2.5344,14.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,14.0,6.0,6.0,7.0,3.0
InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H,16.0,0.0,2.0,0.0,72.0,3.8281,0.0,0.0,0.0,0.1875,0.0,0.0,12.0,61.6217,11.484375,41.46,188.144995689392,5.915,3.5,16.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,15.0,9.0,3.0,10.0,3.0
InChI%3D1S%2FC11H12N2O%2Fc1-9-8-11%2814%2913%2812%289%292%2910-6-4-3-5-7-10%2Fh3-8H%2C1-2H3,15.0,1.0,3.0,0.0,72.0,1.4844,0.0,0.0,0.0,0.0666666666666667,0.0,0.0,11.0,55.747,10.5155555555556,26.93,176.133996009827,4.24489795918367,2.02040816326531,15.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,14.0,6.0,1.0,7.0,1.0
InChI%3D1S%2FC4H9N3O2%2Fc1-2-3-7%286-9%294%285%298%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C8%29,8.0,0.0,5.0,0.0,34.0,0.8726,0.0,1.0,0.0,0.5,0.0,1.0,0.0,33.1475,9.0,76.75,122.062997817993,4.83950617283951,3.55555555555556,8.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,9.0,4.0,5.0,5.0,4.0
InChI%3D1S%2FC4H9N5O3%2Fc1-2-3-8%287-10%294%285%296-9%2811%2912%2Fh2-3H2%2C1H3%2C%28H2%2C5%2C6%29,11.0,0.0,5.0,0.0,48.0,0.6191,0.0,0.0,0.0,0.545454545454545,0.0,1.0,0.0,42.8164,12.0,114.37,166.0759973526,6.50887573964497,5.32544378698225,11.0,2.0,2.0,0.0,0.0,0.0,1.0,2.0,1.0,12.0,6.0,7.0,7.0,6.0
InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,10.0,0.0,2.0,0.0,46.0,1.5858,0.0,0.0,0.0,0.1,0.0,0.0,6.0,42.1434,8.1,35.25,126.093997001648,3.40828402366864,1.99111111111111,10.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,10.0,5.0,2.0,6.0,1.0
InChI%3D1S%2FC7H10N2OS%2Fc1-2-3-5-4-6%2810%299-7%2811%298-5%2Fh4H%2C2-3H2%2C1H3%2C%28H2%2C8%2C9%2C10%2C11%29,11.0,1.0,4.0,0.0,50.0,1.4234,0.0,0.0,0.0,0.181818181818182,0.0,1.0,6.0,44.9438,9.09090909090909,84.81,160.156998634338,4.13265306122449,2.84444444444444,11.0,2.0,0.0,1.0,0.0,0.0,0.0,2.0,1.0,11.0,5.0,4.0,6.0,2.0
InChI%3D1S%2FC9H10O2%2Fc1-2-4-8%285-3-1%2910-6-9-7-11-9%2Fh1-5%2C9H%2C6-7H2,12.0,1.0,2.0,0.0,54.0,1.4642,0.0,0.0,0.0,0.25,0.0,0.0,6.0,41.677,7.63888888888889,21.76,140.096996307373,3.6,1.97530864197531,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,11.0,6.0,2.0,7.0,3.0
InChI%3D1S%2FC8H10O%2Fc1-7%289%298-5-3-2-4-6-8%2Fh2-7%2C9H%2C1H3,9.0,0.0,1.0,0.0,40.0,1.7399,0.0,1.0,0.0,0.111111111111111,0.0,0.0,6.0,37.0758,7.11111111111111,20.23,112.086997032166,3.2396694214876,2.0,9.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,9.0,4.0,1.0,5.0,1.0
InChI%3D1S%2FC16H12N2O%2Fc19-15-11-10-12-6-4-5-9-14%2812%2916%2815%2918-17-13-7-2-1-3-8-13%2Fh1-11%2C17H,21.0,0.0,3.0,0.0,98.0,3.0987,0.0,0.0,0.0,0.0952380952380952,0.0,0.0,12.0,77.0847,13.9591836734694,41.46,236.188994407654,6.63520408163265,3.36596055514974,21.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,19.0,9.0,3.0,10.0,2.0
InChI%3D1S%2FC16H19ClN4O2S%2Fc1-10-4-3-5-12%2811%2810%292%2919-14-8-13%2817%2920-16%2821-14%2924-9-15%2823%2918-6-7-22%2Fh3-5%2C8%2C22H%2C6-7%2C9H2%2C1-2H3%2C%28H%2C18%2C23%29%28H%2C19%2C20%2C21%29,25.0,1.0,6.0,1.0,116.0,2.9532,0.0,2.0,0.0,0.24,0.0,0.0,12.0,97.4773,20.3136,119.16,347.721994400024,10.2222222222222,6.68244575936884,25.0,3.0,0.0,0.0,0.0,0.0,0.0,3.0,1.0,24.0,13.0,6.0,14.0,6.0
InChI%3D1S%2FC3H9O3P%2Fc1-5-7%283%2C4%296-2%2Fh1-3H3,6.0,0.0,3.0,0.0,28.0,1.1021,0.0,0.0,0.0,0.333333333333333,0.0,0.0,0.0,27.5485,7.0,45.34,115.003998756409,2.34375,2.66666666666667,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,7.0,3.0,3.0,4.0,2.0
InChI%3D1S%2FC7H6N6O3%2Fc8-6-10-5%2811-7%289%2912-6%293-1-2-4%2816-3%2913%2814%2915%2Fh1-2H%2C%28H4%2C8%2C9%2C10%2C11%2C12%29,17.0,2.0,4.0,0.0,82.0,0.3882,0.0,0.0,0.0,0.117647058823529,0.0,0.0,11.0,51.1718,12.4567474048443,151.13,216.115996360779,5.10416666666667,3.02972651605232,17.0,4.0,0.0,0.0,0.0,0.0,1.0,4.0,1.0,16.0,7.0,5.0,8.0,2.0
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,3.0,0.0,0.0,3.0,12.0,2.1425,0.0,0.0,0.0,0.0,0.0,0.0,0.0,24.421,4.0,0.0,162.820997238159,1.33333333333333,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,4.0,1.0,0.0,2.0,0.0
InChI%3D1S%2FC17H12O6%2Fc1-20-10-6-11-14%288-4-5-21-17%288%2922-11%2915-13%2810%297-2-3-9%2818%2912%287%2916%2819%2923-15%2Fh4-6%2C8%2C17H%2C2-3H2%2C1H3,27.0,3.0,6.0,0.0,138.0,2.2765,0.0,0.0,0.0,0.037037037037037,0.0,0.0,11.0,79.0695,15.2702331961591,74.97,300.180992126465,5.5,2.08284023668639,27.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,23.0,8.0,5.0,9.0,1.0
InChI%3D1S%2FC15H18N4O5%2Fc1-5-9%2816%2912%2821%298-6%284-24-14%2817%2922%2915%2823-2%2913-7%2818-13%293-19%2815%2910%288%2911%285%2920%2Fh6-7%2C13%2C18H%2C3-4%2C16H2%2C1-2H3%2C%28H2%2C17%2C22%29,27.0,3.0,8.0,0.0,142.0,-0.7562,0.0,1.0,0.0,0.148148148148148,0.0,0.0,0.0,77.0717,17.4156378600823,142.55,316.187993049622,5.75,2.07428571428571,27.0,4.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,24.0,8.0,8.0,9.0,4.0
InChI%3D1S%2FC11H24N2O%2Fc1-3-4-5-6-7-8-9-10-11-13%282%2912-14%2Fh3-11H2%2C1-2H3,13.0,0.0,3.0,0.0,52.0,3.7403,0.0,0.0,0.0,0.769230769230769,0.0,8.0,0.0,61.035,14.0,32.67,176.133996009827,11.0769230769231,11.0,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,14.0,11.0,3.0,12.0,10.0
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,3.0,0.0,0.0,3.0,12.0,1.9864,0.0,0.0,0.0,0.0,0.0,0.0,0.0,21.347,4.0,0.0,118.369997024536,1.33333333333333,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,4.0,1.0,0.0,2.0,0.0
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,6.0,1.0,1.0,0.0,26.0,0.7181,0.0,0.0,0.0,0.0,0.0,0.0,5.0,23.3247,4.16666666666667,28.68,76.0579986572266,1.63265306122449,0.979591836734694,6.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,6.0,2.0,1.0,3.0,0.0
InChI%3D1S%2FC34H28N6O16S4%2Fc1-55-25-9-15%283-5-23%2825%2937-39-31-27%2859%2849%2C50%2951%2911-17-7-19%2857%2843%2C44%2945%2913-21%2835%2929%2817%2933%2831%2941%2916-4-6-24%2826%2810-16%2956-2%2938-40-32-28%2860%2852%2C53%2954%2912-18-8-20%2858%2846%2C47%2948%2914-22%2836%2930%2818%2934%2832%2942%2Fh3-14%2C37-38H%2C35-36H2%2C1-2H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29%28H%2C49%2C50%2C51%29%28H%2C52%2C53%2C54%29,65.0,0.0,22.0,0.0,334.0,5.7676,0.0,0.0,8.0,0.169230769230769,0.0,0.0,24.0,208.9188,49.4343195266272,415.74,876.667987823486,19.076893502499,11.0048209366391,65.0,4.0,0.0,0.0,4.0,0.0,0.0,6.0,1.0,60.0,26.0,18.0,27.0,11.0
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,12.0,0.0,0.0,6.0,60.0,3.6444,0.0,0.0,0.0,0.0,0.0,0.0,0.0,57.846,10.0833333333333,0.0,284.783992767334,3.39506172839506,1.5625,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,12.0,4.0,0.0,5.0,0.0
InChI%3D1S%2FC4H8N2OS%2Fc7-5-6-1-3-8-4-2-6%2Fh1-4H2,8.0,1.0,4.0,0.0,34.0,0.6545,0.0,0.0,0.0,0.125,0.0,0.0,0.0,32.4732,6.125,57.97,124.123999595642,3.11111111111111,1.8,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,8.0,4.0,4.0,5.0,1.0
InChI%3D1S%2FC37H30N4O10S3%2Fc1-22-4-13-30%2814-5-22%2954%2849%2C50%2951-29-11-9-28%2810-12-29%2938-39-32-15-6-25%2818-23%2832%292%2926-7-16-33%2824%283%2919-26%2940-41-37-34%2842%2917-8-27-20-31%2852%2843%2C44%2945%2921-35%2836%2827%2937%2953%2846%2C47%2948%2Fh4-21%2C40H%2C1-3H3%2C%28H%2C43%2C44%2C45%29%28H%2C46%2C47%2C48%29,59.0,0.0,14.0,0.0,296.0,9.9246,0.0,0.0,6.0,0.169491525423729,0.0,0.0,30.0,197.6645,43.575409365125,249.09,756.625988006592,18.092665067542,10.9936224489796,59.0,1.0,0.0,0.0,2.0,0.0,0.0,3.0,1.0,54.0,28.0,12.0,29.0,10.0
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,5.0,0.0,0.0,4.0,22.0,3.0682,0.0,0.0,0.0,0.0,0.0,0.0,0.0,30.438,6.0,0.0,165.833995819092,2.22222222222222,3.0,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,6.0,2.0,0.0,3.0,0.0
InChI%3D1S%2FC4H10N2O%2Fc1-3-6%284-2%295-7%2Fh3-4H2%2C1-2H3,6.0,0.0,3.0,0.0,24.0,1.0096,0.0,0.0,0.0,0.5,0.0,0.0,0.0,28.716,7.0,32.67,92.0569982528687,4.16666666666667,2.66666666666667,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,7.0,3.0,3.0,4.0,3.0
InChI%3D1S%2FC8H14O4%2Fc1-5-4-8%2811-6%282%299%2912-7%283%2910-5%2Fh5%2C7-8H%2C4H2%2C1-3H3,12.0,1.0,4.0,0.0,56.0,1.047,0.0,0.0,0.0,0.166666666666667,0.0,0.0,0.0,41.265,10.0833333333333,44.76,160.083995819092,4.296875,3.515625,12.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,12.0,5.0,4.0,6.0,2.0
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-7%282%298%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,9.0,0.0,1.0,0.0,42.0,1.8856,0.0,0.0,0.0,0.0,0.0,0.0,6.0,40.3284,7.11111111111111,26.02,110.094997406006,2.72222222222222,1.70414201183432,9.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,9.0,4.0,1.0,5.0,0.0
InChI%3D1S%2FC12Br10O%2Fc13-1-3%2815%297%2819%2911%288%2820%294%281%2916%2923-12-9%2821%295%2817%292%2814%296%2818%2910%2812%2922,24.0,0.0,1.0,10.0,122.0,11.1039,0.0,0.0,0.0,0.0833333333333333,0.0,0.0,12.0,129.958,19.3263888888889,9.23,959.17098903656,7.08692476260044,3.25443786982249,24.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,23.0,9.0,1.0,10.0,2.0
InChI%3D1S%2FC5H11N3O3%2Fc1-2-6-5%2810%298%287-11%293-4-9%2Fh9H%2C2-4H2%2C1H3%2C%28H%2C6%2C10%29,10.0,0.0,6.0,0.0,42.0,-0.104,0.0,2.0,0.0,0.5,0.0,0.0,0.0,40.1916,11.0,85.49,150.072997093201,6.69421487603306,4.44444444444444,10.0,2.0,1.0,0.0,0.0,0.0,0.0,2.0,1.0,11.0,6.0,6.0,7.0,5.0
InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2,4.0,0.0,1.0,2.0,14.0,1.3956,0.0,0.0,0.0,0.5,0.0,0.0,0.0,22.525,5.0,9.23,110.926997184753,4.0,4.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.0,3.0,1.0,4.0,2.0
InChI%3D1S%2FC5H12N2O4%2Fc8-2-1-7%286-11%293-5%2810%294-9%2Fh5%2C8-10H%2C1-4H2,10.0,0.0,6.0,0.0,42.0,-1.6847,0.0,3.0,0.0,0.6,0.0,0.0,0.0,37.5464,11.0,93.36,152.06499671936,6.69421487603306,5.28925619834711,10.0,3.0,0.0,0.0,0.0,0.0,0.0,3.0,1.0,11.0,6.0,6.0,7.0,6.0
InChI%3D1S%2FC6H10N2O%2Fc1-3-5-8%287-9%296-4-2%2Fh3-4H%2C1-2%2C5-6H2,8.0,0.0,3.0,0.0,32.0,1.3418,0.0,0.0,0.0,0.625,0.0,0.0,0.0,37.762,9.0,32.67,116.078997612,6.125,4.5,8.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,9.0,5.0,3.0,6.0,5.0
InChI%3D1S%2FC11H9BrO4%2Fc1-16-8-4-2-7%283-5-8%2911%2815%299%2812%296-10%2813%2914%2Fh2-6H%2C1H3%2C%28H%2C13%2C14%29,16.0,0.0,4.0,1.0,74.0,0.906599999999999,0.0,0.0,0.0,0.25,0.0,0.0,6.0,60.028,14.0625,66.43,276.020994186401,6.66666666666667,4.42361111111111,16.0,0.0,0.0,0.0,1.0,0.0,0.0,1.0,1.0,16.0,9.0,3.0,10.0,4.0
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,4.0,0.0,0.0,2.0,14.0,1.9777,0.0,0.0,0.0,0.25,0.0,0.0,0.0,25.713,5.0,0.0,106.938997268677,4.0,4.0,4.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,5.0,3.0,0.0,4.0,1.0
InChI%3D1S%2FC3H8N2O2%2Fc1-5%284-7%292-3-6%2Fh6H%2C2-3H2%2C1H3,6.0,0.0,4.0,0.0,24.0,-0.4081,0.0,1.0,0.0,0.5,0.0,0.0,0.0,25.5108,7.0,52.9,96.0449981689453,4.16666666666667,3.84,6.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,7.0,4.0,4.0,5.0,3.0
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,10.0,0.0,4.0,2.0,46.0,2.6804,0.0,0.0,0.0,0.4,0.0,0.0,0.0,42.4985,11.0,54.57,213.919996261597,4.79289940828402,4.44444444444444,10.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,11.0,5.0,4.0,6.0,4.0
InChI%3D1S%2FC5H10N2O3%2Fc8-4-3-6-2-1-5%289%297-10%2Fh6%2C8H%2C1-4H2,9.0,0.0,4.0,0.0,36.0,-1.7748,0.0,1.0,0.0,0.666666666666667,0.0,0.0,0.0,36.2982,10.0,83.34,136.065997123718,7.11111111111111,7.0,9.0,2.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,10.0,7.0,4.0,8.0,6.0
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,2.0,0.0,0.0,2.0,6.0,1.4215,0.0,0.0,0.0,0.0,0.0,0.0,0.0,16.573,3.0,0.0,82.9169979095459,2.0,0.0,2.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,3.0,1.0,0.0,2.0,0.0
InChI%3D1S%2FC9H11ClN2O%2Fc1-12%282%299%2813%2911-8-5-3-7%2810%294-6-8%2Fh3-6H%2C1-2H3%2C%28H%2C11%2C13%29,13.0,0.0,3.0,1.0,60.0,2.4335,0.0,0.0,0.0,0.230769230769231,0.0,0.0,6.0,54.1577,11.0769230769231,32.34,187.564995765686,5.0242214532872,3.7037037037037,13.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,13.0,7.0,3.0,8.0,3.0
InChI%3D1S%2FC4H5N3O3%2Fc8-3-1-2-7%286-10%294%289%295-3%2Fh1-2H2%2C%28H%2C5%2C8%2C9%29,10.0,1.0,6.0,0.0,46.0,-0.1765,0.0,1.0,0.0,0.1,0.0,0.0,0.0,27.5492,8.1,82.33,138.061997413635,3.40828402366864,1.99111111111111,10.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,10.0,5.0,6.0,6.0,1.0
InChI%3D1S%2FC4H10N2O2%2Fc1-4%287%293-6%282%295-8%2Fh4%2C7H%2C3H2%2C1-2H3,7.0,0.0,4.0,0.0,30.0,-0.0196,0.0,1.0,0.0,0.428571428571429,0.0,0.0,0.0,30.1058,8.0,52.9,108.055997848511,3.9375,5.0,7.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,8.0,4.0,4.0,5.0,3.0
InChI%3D1S%2FC16H12N2O4%2Fc1-21-15-7-11%283-5-13%2815%2917-9-19%2912-4-6-14%2818-10-20%2916%288-12%2922-2%2Fh3-8H%2C1-2H3,23.0,0.0,6.0,0.0,106.0,3.3054,0.0,0.0,0.0,0.217391304347826,0.0,0.0,12.0,80.545,18.3402646502836,77.32,284.18599319458,9.33333333333333,4.75,23.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,22.0,12.0,6.0,13.0,5.0
InChI%3D1S%2FC8H12F6N2O%2Fc9-7%2810%2C11%293-1-5-16%2815-17%296-2-4-8%2812%2C13%2914%2Fh1-6H2,16.0,0.0,3.0,6.0,76.0,3.6548,0.0,0.0,0.0,0.5625,0.0,0.0,0.0,47.946,17.0,32.67,254.088992118835,7.43801652892562,12.25,16.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,17.0,9.0,3.0,10.0,9.0
InChI%3D1S%2FC19H20N2O2%2Fc1-2-3-14-17-18%2822%2920%2815-10-6-4-7-11-15%2921%2819%2817%2923%2916-12-8-5-9-13-16%2Fh4-13%2C17H%2C2-3%2C14H2%2C1H3,25.0,1.0,4.0,0.0,118.0,3.9178,0.0,0.0,0.0,0.2,0.0,4.0,12.0,84.4714,17.8112,40.62,288.220993041992,8.39273356401384,3.81944444444444,25.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,23.0,9.0,4.0,10.0,5.0
InChI%3D1S%2FC4H9NO2%2Fc1-3-4%282%295%286%297%2Fh4H%2C3H2%2C1-2H3,6.0,0.0,0.0,0.0,26.0,1.5848,0.0,0.0,0.0,0.333333333333333,0.0,1.0,0.0,28.915,7.0,45.82,94.0489978790283,3.06122448979592,2.66666666666667,6.0,0.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,7.0,3.0,2.0,4.0,2.0
InChI%3D1S%2FC7H15N3O%2Fc1-6-4-10%288-11%295-7%282%299%286%293%2Fh6-7H%2C4-5H2%2C1-3H3,11.0,1.0,3.0,0.0,52.0,0.7822,0.0,0.0,0.0,0.0909090909090909,0.0,0.0,0.0,40.5781,9.09090909090909,37.11,142.096997261047,3.6,1.97530864197531,11.0,1.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,11.0,5.0,3.0,6.0,1.0
InChI%3D1S%2FC8H12N4O5%2Fc9-7-10-2-12%288%2816%2911-7%296-5%2815%294%2814%293%281-13%2917-6%2Fh2-6%2C13-15H%2C1H2%2C%28H2%2C9%2C11%2C16%29,18.0,2.0,9.0,0.0,88.0,-2.9253,0.0,3.0,0.0,0.111111111111111,0.0,0.0,6.0,50.5509,13.4320987654321,144.71,232.110995292664,5.32544378698225,2.56,18.0,5.0,0.0,1.0,0.0,0.0,0.0,5.0,1.0,17.0,8.0,8.0,9.0,2.0
InChI%3D1S%2FC10H14N2O2%2Fc1-8%2812%282%2911-14%2910%2813%299-6-4-3-5-7-9%2Fh3-8%2C10%2C13H%2C1-2H3,14.0,0.0,4.0,0.0,64.0,1.7217,0.0,1.0,0.0,0.285714285714286,0.0,0.0,6.0,54.4218,12.0714285714286,52.9,180.121995925903,5.77777777777778,3.27272727272727,14.0,1.0,0.0,0.0,0.0,0.0,0.0,1.0,1.0,14.0,7.0,4.0,8.0,4.0
InChI%3D1S%2FC11H8N2O5%2Fc12-11%2814%298%289-2-1-5-17-9%296-7-3-4-10%2818-7%2913%2815%2916%2Fh1-6H%2C%28H2%2C12%2C14%29,19.0,2.0,4.0,0.0,90.0,3.3799,0.0,1.0,0.0,0.210526315789474,0.0,0.0,10.0,64.4645,14.409972299169,116.18,240.129994392395,6.43786982248521,3.75,19.0,2.0,0.0,0.0,0.0,0.0,1.0,2.0,1.0,18.0,8.0,4.0,9.0,4.0
InChI%3D1S%2FC6H10N2O2%2Fc1-3-4-8%287-10%295-6%282%299%2Fh3H%2C1%2C4-5H2%2C2H3,9.0,0.0,4.0,0.0,38.0,0.7448,0.0,0.0,0.0,0.555555555555556,0.0,0.0,0.0,38.246,10.0,49.74,132.077997207642,5.76,5.53086419753086,9.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,10.0,5.0,4.0,6.0,5.0
InChI%3D1S%2FC4H6O2%2Fc1-3-2-4%285%296-3%2Fh3H%2C2H2%2C1H3,6.0,1.0,2.0,0.0,28.0,0.3218,0.0,0.0,0.0,0.0,0.0,0.0,0.0,20.171,4.16666666666667,26.3,80.0419979095459,1.25,0.75,6.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,6.0,3.0,2.0,4.0,0.0
InChI%3D1S%2FC9H10N4O3S%2Fc1-12%282%2911-9-10-6%285-17-9%297-3-4-8%2816-7%2913%2814%2915%2Fh3-5H%2C1-2H3%2C%28H%2C10%2C11%29,18.0,2.0,5.0,0.0,86.0,2.723,0.0,0.0,0.0,0.222222222222222,0.0,0.0,10.0,65.9477,13.4320987654321,115.36,244.190997123718,5.76,3.48444444444444,18.0,1.0,0.0,0.0,0.0,0.0,1.0,1.0,1.0,17.0,9.0,5.0,10.0,4.0
InChI%3D1S%2FC20H14O4%2Fc21-15-9-5-13%286-10-15%2920%2814-7-11-16%2822%2912-8-14%2918-4-2-1-3-17%2818%2919%2823%2924-20%2Fh1-12%2C21-22H,27.0,1.0,4.0,0.0,134.0,3.5601,0.0,0.0,0.0,0.0740740740740741,0.0,0.0,18.0,87.9531,17.4156378600823,66.76,304.215991973877,6.9575,3.02140309155767,27.0,2.0,0.0,2.0,0.0,0.0,0.0,2.0,1.0,24.0,9.0,4.0,10.0,2.0
InChI%3D1S%2FC18H14N4O7S%2Fc23-21%2824%2914-7-9-15%2817%2811-14%2922%2825%2926%2920-13-6-8-16%2818%2810-13%2930%2827%2C28%2929%2919-12-4-2-1-3-5-12%2Fh1-11%2C19-20H%2C%28H%2C27%2C28%2C29%29,32.0,0.0,3.0,0.0,156.0,6.0215,0.0,0.0,2.0,0.21875,0.0,0.0,18.0,111.5428,24.638671875,181.28,416.285992622375,10.7448015122873,6.75,32.0,2.0,0.0,0.0,1.0,0.0,2.0,3.0,1.0,30.0,14.0,8.0,15.0,7.0
InChI%3D1S%2FC4H5NS%2Fc1-2-3-5-4-6%2Fh2H%2C1%2C3H2,5.0,0.0,2.0,0.0,18.0,1.2752,0.0,0.0,0.0,0.4,0.0,0.0,0.0,30.09,6.0,44.45,94.1180000305176,5.0,5.33333333333333,5.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,6.0,4.0,2.0,5.0,2.0
InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2,3.0,1.0,1.0,0.0,12.0,0.0166,0.0,0.0,0.0,0.0,0.0,0.0,0.0,10.819,1.33333333333333,12.53,40.0209989547729,0.222222222222222,0.0,3.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,3.0,0.0,1.0,1.0,0.0
InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2,13.0,0.0,4.0,3.0,56.0,2.8607,0.0,0.0,0.0,0.692307692307692,0.0,0.0,0.0,57.6225,14.0,54.57,273.394994735718,8.32,7.04,13.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,14.0,7.0,4.0,8.0,9.0
InChI%3D1S%2FC6H8N4O3S%2Fc1-2-7-5%2811%299-6-8-3-4%2814-6%2910%2812%2913%2Fh3H%2C2H2%2C1H3%2C%28H2%2C7%2C8%2C9%2C11%29,14.0,1.0,5.0,0.0,64.0,1.9203,0.0,1.0,0.0,0.285714285714286,0.0,0.0,5.0,55.1635,12.0714285714286,131.57,208.157998085022,5.77777777777778,3.96,14.0,2.0,1.0,0.0,0.0,0.0,1.0,2.0,1.0,14.0,8.0,6.0,9.0,4.0
InChI%3D1S%2FC12H14O4%2Fc1-2-9%2813-5-11-7-15-11%294-10%283-1%2914-6-12-8-16-12%2Fh1-4%2C11-12H%2C5-8H2,18.0,2.0,4.0,0.0,84.0,1.2418,0.0,0.0,0.0,0.333333333333333,0.0,0.0,6.0,56.912,11.1111111111111,43.52,208.127994537354,5.10416666666667,2.83111111111111,18.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,16.0,9.0,4.0,10.0,6.0
InChI%3D1S%2FC7H8N2O3%2Fc1-12-7-3-2-5%289%2810%2911%294-6%287%298%2Fh2-4H%2C8H2%2C1H3,12.0,0.0,2.0,0.0,56.0,1.7088,0.0,0.0,0.0,0.166666666666667,0.0,0.0,6.0,46.2284,10.0833333333333,81.07,160.087996482849,4.296875,2.49307479224377,12.0,1.0,0.0,0.0,0.0,0.0,1.0,0.0,1.0,12.0,6.0,4.0,7.0,2.0
InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2,7.0,0.0,1.0,0.0,30.0,1.2688,0.0,0.0,0.0,0.0,0.0,0.0,6.0,30.8544,5.14285714285714,26.02,86.072998046875,2.34375,1.5,7.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,1.0,7.0,3.0,1.0,4.0,0.0
InChI%3D1S%2FC7H6N2O4%2Fc1-5-6%288%2810%2911%293-2-4-7%285%299%2812%2913%2Fh2-4H%2C1H3,13.0,0.0,0.0,0.0,62.0,2.8578,0.0,0.0,0.0,0.153846153846154,0.0,0.0,6.0,48.823,11.0769230769231,91.64,176.086996078491,4.48148148148148,2.47933884297521,13.0,0.0,0.0,0.0,0.0,0.0,2.0,0.0,1.0,13.0,5.0,4.0,6.0,2.0