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

SMILES,nAromBond,naAromAtom,nAtomP,nAtomLC,ALogP,nRotB,AMR,ALogp2,MLogP,XLogP,nHBDon,nB,nAtom
InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,0.0,0.0,4.0,5.0,1.78369998931885,1.0,25.0105991363525,3.18158578872681,1.78999996185303,1.68900001049042,0.0,4.0,10.0
InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2,0.0,0.0,0.0,6.0,2.49469995498657,2.0,35.636100769043,6.2235279083252,1.46000003814697,3.0550000667572,0.0,5.0,11.0
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%29,11.0,10.0,14.0,0.0,-0.32039999961853,0.0,64.7283020019531,0.102656163275242,2.11999988555908,1.47300004959106,2.0,18.0,27.0
InChI%3D1S%2FC11H14O2%2Fc1-4-5-9-6-7-10%2812-2%2911%288-9%2913-3%2Fh4%2C6-8H%2C1%2C5H2%2C2-3H3,6.0,6.0,8.0,3.0,1.2393000125885,4.0,57.9244995117188,1.53586447238922,2.45000004768372,2.54399991035461,0.0,13.0,27.0
InChI%3D1S%2FC3H6ClNO%2Fc1-5%282%293%284%296%2Fh1-2H3,0.0,0.0,6.0,18.0,-1.90499997138977,8.0,57.6123008728027,3.62902498245239,1.24000000953674,-3.41100001335144,0.0,17.0,33.0
InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-2-1-3-8-4-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29,6.0,6.0,10.0,4.0,-1.15409994125366,1.0,39.926700592041,1.331946849823,1.67999994754791,-0.824999988079071,2.0,10.0,17.0
InChI%3D1S%2FC13H14N2%2Fc14-12-5-1-10%282-6-12%299-11-3-7-13%2815%298-4-11%2Fh1-8H%2C9%2C14-15H2,12.0,12.0,7.0,0.0,0.478399991989136,2.0,71.1719970703125,0.228866562247276,2.67000007629395,0.924000024795532,2.0,16.0,29.0
InChI%3D1S%2FC5H4O2%2Fc6-4-5-2-1-3-7-5%2Fh1-4H,5.0,5.0,7.0,2.0,-0.346500009298325,1.0,7.91300010681152,0.120062246918678,1.78999996185303,1.057000041008,0.0,7.0,11.0
InChI%3D1S%2FC14H13N3O3%2Fc1-20-13-8-10%282-3-12%2813%2918%299-16-17-14%2819%2911-4-6-15-7-5-11%2Fh2-9%2C16H%2C1H3%2C%28H%2C17%2C19%29,6.0,6.0,19.0,5.0,-1.71449995040894,5.0,77.7994995117188,2.93951034545898,2.33999991416931,0.101999998092651,2.0,21.0,33.0
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%29,6.0,6.0,7.0,7.0,1.22479999065399,8.0,81.6709976196289,1.50013506412506,2.23000001907349,-0.565999984741211,2.0,19.0,37.0
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%2C1-4H3,6.0,6.0,12.0,11.0,-0.770600020885468,16.0,106.09700012207,0.59382438659668,3.66000008583069,7.65399980545044,0.0,28.0,66.0
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,0.0,0.0,3.0,0.0,-0.483700007200241,0.0,18.8031997680664,0.233965694904327,1.78999996185303,0.757000029087067,0.0,5.0,11.0
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,24.0,20.0,20.0,0.0,3.11319994926453,0.0,93.4252014160156,9.69201469421387,3.66000008583069,5.95599985122681,0.0,24.0,32.0
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,6.0,6.0,6.0,0.0,-0.281399995088577,0.0,27.3862991333008,0.079185962677002,1.89999997615814,-0.0410000011324883,0.0,6.0,11.0
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-7%282%298%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,6.0,6.0,7.0,0.0,1.09949994087219,0.0,43.0695991516113,1.20890021324158,2.23000001907349,1.10800004005432,1.0,9.0,20.0
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%2C1H3,12.0,12.0,7.0,9.0,2.8150999546051,8.0,98.2973022460938,7.92478799819946,3.10999989509583,3.43700003623962,0.0,22.0,43.0
InChI%3D1S%2FC24H29ClO4%2Fc1-12%2826%2924%2829-13%282%2927%298-6-16-14-10-20%2825%2919-11-21%2828%2915-9-18%2815%2923%2819%2C4%2917%2814%295-7-22%2816%2C24%293%2Fh10-11%2C14-18H%2C5-9H2%2C1-4H3,0.0,0.0,6.0,4.0,1.27230000495911,3.0,111.438301086426,1.61874723434448,3.54999995231628,3.28200006484985,0.0,33.0,58.0
InChI%3D1S%2FC7H16O2%2Fc1-6%288%295-9-7%282%2C3%294%2Fh6%2C8H%2C5H2%2C1-4H3,0.0,0.0,0.0,9.0,0.431699991226196,3.0,37.693000793457,0.186364889144897,2.00999999046326,1.07099997997284,1.0,8.0,25.0
InChI%3D1S%2FC2H3ClO%2Fc3-1-2-4%2Fh2H%2C1H2,0.0,0.0,2.0,4.0,0.350100010633469,1.0,16.4715003967285,0.122570008039474,1.46000003814697,0.570999979972839,0.0,3.0,7.0
InChI%3D1S%2FC2HCl5%2Fc3-1%284%292%285%2C6%297%2Fh1H,0.0,0.0,0.0,7.0,2.88779997825623,1.0,36.3208999633789,8.33938884735107,1.12999999523163,3.22900009155273,0.0,6.0,8.0
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%29,6.0,6.0,9.0,8.0,2.01740002632141,6.0,100.696998596191,4.0699028968811,2.33999991416931,0.679000020027161,4.0,25.0,47.0
InChI%3D1S%2FC2H6N2O%2Fc1-2%285%294-3%2Fh3H2%2C1H3%2C%28H%2C4%2C5%29,0.0,0.0,4.0,5.0,-0.667200028896332,0.0,19.1849002838135,0.445155829191208,1.35000002384186,-0.397000014781952,2.0,4.0,11.0
InChI%3D1S%2FC8H11N%2Fc1-6-3-4-8%289%297%282%295-6%2Fh3-5H%2C9H2%2C1-2H3,6.0,6.0,7.0,0.0,1.09949994087219,0.0,43.0695991516113,1.20890021324158,2.23000001907349,1.10800004005432,1.0,9.0,20.0
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%2C1-5H3,0.0,0.0,0.0,13.0,-2.59859991073608,10.0,47.8146018981934,6.75272178649902,2.67000007629395,4.80000019073486,0.0,12.0,40.0
InChI%3D1S%2FC10H12O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh4-6H%2C2-3%2C7H2%2C1H3,6.0,6.0,8.0,3.0,-0.162799999117851,2.0,49.5388984680176,0.0265038404613733,2.33999991416931,2.64800000190735,0.0,13.0,24.0
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%2C17H2,12.0,12.0,17.0,0.0,1.20550000667572,0.0,86.3414001464844,1.45323026180267,2.45000004768372,1.80400002002716,1.0,21.0,26.0
InChI%3D1S%2FC7H10N2O%2Fc1-10-7-3-2-5%288%294-6%287%299%2Fh2-4H%2C8-9H2%2C1H3,6.0,6.0,9.0,2.0,-1.48860001564026,1.0,44.6988983154297,2.21592998504639,1.89999997615814,0.0719999969005585,2.0,10.0,20.0
InChI%3D1S%2FC7H7NO2%2Fc1-6-4-2-3-5-7%286%298%289%2910%2Fh2-5H%2C1H3,6.0,6.0,9.0,2.0,0.595399975776672,1.0,8.38790035247803,0.354501157999039,1.89999997615814,3.00600004196167,0.0,10.0,17.0
InChI%3D1S%2FC3H9O4P%2Fc1-5-8%284%2C6-2%297-3%2Fh1-3H3,0.0,0.0,5.0,8.0,0.208199992775917,3.0,28.0988006591797,0.0433472394943237,1.24000000953674,-0.689999997615814,0.0,7.0,17.0
InChI%3D1S%2FC6H13NO3S%2Fc8-11%289%2C10%297-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2%2C%28H%2C8%2C9%2C10%29,0.0,0.0,5.0,5.0,-2.54320001602173,2.0,31.3752994537354,6.46786642074585,1.57000005245209,0.319000005722046,2.0,11.0,24.0
InChI%3D1S%2FC8H12%2Fc1-2-8-6-4-3-5-7-8%2Fh2-4%2C8H%2C1%2C5-7H2,0.0,0.0,2.0,2.0,1.44280004501343,1.0,37.0376014709473,2.08167195320129,2.33999991416931,3.60500001907349,0.0,8.0,20.0
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%2918,0.0,0.0,0.0,0.0,5.84999990463257,0.0,92.3588027954102,34.2224998474121,1.24000000953674,6.35799980163574,0.0,26.0,22.0
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%2C1H3,12.0,12.0,22.0,2.0,0.166700005531311,3.0,33.880500793457,0.0277888905256987,2.67000007629395,6.9210000038147,1.0,25.0,36.0
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-2-4-8%2811%295-3-7%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,6.0,6.0,10.0,4.0,0.321799993515015,1.0,45.7897987365723,0.103555239737034,2.00999999046326,0.61599999666214,2.0,11.0,20.0
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,5.0,5.0,17.0,3.0,-0.1875,2.0,7.40290021896362,0.03515625,2.00999999046326,2.58500003814697,0.0,19.0,24.0
InChI%3D1S%2FC4H8N4O2%2Fc9-5-7-1-2-8%286-10%294-3-7%2Fh1-4H2,0.0,0.0,3.0,2.0,-0.181199997663498,2.0,36.1629981994629,0.0328334383666515,1.24000000953674,-0.512000024318695,0.0,10.0,18.0
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%2C3-4H2,0.0,0.0,5.0,7.0,2.72370004653931,3.0,77.7978973388672,7.41854190826416,1.67999994754791,2.76999998092651,0.0,19.0,27.0
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,0.0,0.0,0.0,6.0,2.2056999206543,2.0,29.6690998077393,4.8651123046875,1.46000003814697,2.37899994850159,0.0,5.0,11.0
InChI%3D1S%2FCH6N2%2Fc1-3-2%2Fh3H%2C2H2%2C1H3,0.0,0.0,0.0,0.0,-0.397199988365173,0.0,12.7243995666504,0.157767847180367,1.57000005245209,-0.386000007390976,2.0,3.0,8.0
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,6.0,6.0,7.0,0.0,2.68379998207092,0.0,56.1422996520996,7.20278263092041,1.46000003814697,3.61999988555908,1.0,12.0,13.0
InChI%3D1S%2FC7H14N2O%2Fc1-7%282%294-5-8-9%283%296-10%2Fh5-7H%2C4H2%2C1-3H3,0.0,0.0,5.0,10.0,-0.0278999991714954,4.0,40.8586006164551,0.000778410001657903,1.89999997615814,1.88100004196167,0.0,9.0,24.0
InChI%3D1S%2FC13H16F3N3O4%2Fc1-3-5-17%286-4-2%2912-10%2818%2820%2921%297-9%2813%2814%2C15%2916%298-11%2812%2919%2822%2923%2Fh7-8H%2C3-6H2%2C1-2H3,6.0,6.0,13.0,7.0,0.567900002002716,8.0,42.1492004394531,0.322510421276093,1.78999996185303,4.84499979019165,0.0,23.0,39.0
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,0.0,0.0,0.0,3.0,1.6172000169754,0.0,21.364200592041,2.6153359413147,1.24000000953674,2.07399988174438,0.0,3.0,5.0
InChI%3D1S%2FC8H14ClNS2%2Fc1-4-10%285-2%298%2811%2912-6-7%283%299%2Fh3-6H2%2C1-2H3,0.0,0.0,3.0,12.0,3.16650009155273,6.0,62.7835998535156,10.0267219543457,1.89999997615814,2.74499988555908,0.0,11.0,26.0
InChI%3D1S%2FCH4N2O%2Fc2-3-1-4%2Fh1H%2C2H2%2C%28H%2C3%2C4%29,0.0,0.0,4.0,4.0,-0.745999991893768,0.0,15.1128997802734,0.556515991687775,1.24000000953674,-0.633000016212463,2.0,3.0,8.0
InChI%3D1S%2FC9H10O2%2Fc1-8%2810%2911-7-9-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3,6.0,6.0,6.0,5.0,1.13820004463196,3.0,46.1640014648438,1.29549920558929,2.23000001907349,1.33299994468689,0.0,11.0,21.0
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-5-11%286-3-9%2914%2812%2910-4-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,0.0,0.0,5.0,7.0,0.0841000005602837,5.0,55.7243003845215,0.0070728100836277,1.46000003814697,0.834999978542328,0.0,14.0,29.0
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%29,0.0,0.0,4.0,11.0,-0.034000001847744,4.0,39.0854988098145,0.00115599995478988,1.57000005245209,-0.247999995946884,2.0,10.0,23.0
InChI%3D1S%2FC12HBr9%2Fc13-2-1-3%2814%296%2815%297%2816%294%282%295-8%2817%2910%2819%2912%2821%2911%2820%299%285%2918%2Fh1H,12.0,12.0,12.0,0.0,6.4899001121521,1.0,127.279197692871,42.1188011169434,1.78999996185303,8.16300010681152,0.0,22.0,22.0
InChI%3D1S%2FC4H8Cl2O2%2Fc5-3-7-1-2-8-4-6%2Fh1-4H2,0.0,0.0,0.0,8.0,0.79339998960495,5.0,33.3348007202148,0.629483580589294,1.46000003814697,0.643999993801117,3.0,7.0,16.0
InChI%3D1S%2FC11H17N3O4%2Fc1-12-10-3-2-9%288-11%2810%2914%2817%2918%2913%284-6-15%295-7-16%2Fh2-3%2C8%2C12%2C15-16H%2C4-7H2%2C1H3,6.0,6.0,11.0,7.0,-1.2257000207901,7.0,38.7584991455078,1.50234043598175,1.89999997615814,1.08200001716614,3.0,18.0,35.0
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-3-1-2-4-6%285%298%289%2910%2Fh1-4H,6.0,6.0,9.0,3.0,0.697700023651123,1.0,8.50139999389648,0.486785292625427,1.67999994754791,2.77900004386902,0.0,10.0,14.0
InChI%3D1S%2FC6H8N2%2Fc7-8-6-4-2-1-3-5-6%2Fh1-5%2C8H%2C7H2,6.0,6.0,8.0,2.0,-0.0593000017106533,1.0,38.8675994873047,0.00351649010553956,1.89999997615814,0.105999998748302,2.0,8.0,16.0
InChI%3D1S%2FC8H18N2O%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh3-8H2%2C1-2H3,0.0,0.0,3.0,11.0,-1.13999998569489,7.0,41.5252990722656,1.29960000514984,2.00999999046326,2.42499995231628,0.0,10.0,29.0
InChI%3D1S%2FC9H12N2O2%2Fc1-7%2813%2910-11-9-4-2-8%286-12%293-5-9%2Fh2-5%2C11-12H%2C6H2%2C1H3%2C%28H%2C10%2C13%29,6.0,6.0,10.0,5.0,-0.179800003767014,3.0,53.5410003662109,0.0323280394077301,2.00999999046326,0.805999994277954,3.0,13.0,25.0
InChI%3D1S%2FC2F4%2Fc3-1%284%292%285%296,0.0,0.0,2.0,6.0,1.28159999847412,0.0,12.4054002761841,1.64249861240387,1.24000000953674,1.182000041008,0.0,5.0,6.0
InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-6%288%293-5-7%2Fh2-5%2C8H%2C1H3,6.0,6.0,8.0,2.0,0.341699987649918,1.0,39.2047996520996,0.116758890450001,2.00999999046326,0.975000023841858,1.0,9.0,17.0
InChI%3D1S%2FC9H4Cl3NO2S%2Fc10-9%2811%2C12%2916-13-7%2814%295-3-1-2-4-6%285%298%2813%2915%2Fh1-4H,6.0,6.0,11.0,5.0,3.94350004196167,2.0,69.4048004150391,15.5511922836304,1.67999994754791,2.41400003433228,0.0,17.0,20.0
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%2C1H3,0.0,0.0,5.0,2.0,0.235100001096725,1.0,88.9273986816406,0.0552720092236996,2.67000007629395,0.137999996542931,2.0,27.0,48.0
InChI%3D1S%2FC3H7NO2%2Fc1-2-6-3%284%295%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29,0.0,0.0,4.0,6.0,0.821900010108948,2.0,19.8181991577148,0.675519585609436,1.46000003814697,0.9200000166893,2.0,5.0,13.0
InChI%3D1S%2FC3H3N%2Fc1-2-3-4%2Fh2H%2C1H2,0.0,0.0,4.0,4.0,0.635500013828278,0.0,16.2707004547119,0.403860241174698,1.67999994754791,0.319999992847443,0.0,3.0,7.0
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,0.0,0.0,0.0,6.0,2.39919996261597,1.0,30.7637996673584,5.75616073608398,1.24000000953674,2.57599997520447,0.0,5.0,8.0
InChI%3D1S%2FC2H8N2%2Fc1-3-4-2%2Fh3-4H%2C1-2H3,0.0,0.0,2.0,4.0,-0.63620001077652,1.0,17.9934005737305,0.404750436544418,1.46000003814697,0.583999991416931,2.0,3.0,12.0
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,18.0,18.0,9.0,0.0,1.92560005187988,2.0,99.7927017211914,3.70793533325195,3.22000002861023,1.61300003528595,2.0,27.0,38.0
InChI%3D1S%2FC7H8N2O%2Fc8-9-7%2810%296-4-2-1-3-5-6%2Fh1-5H%2C8H2%2C%28H%2C9%2C10%29,6.0,6.0,10.0,4.0,0.530700027942657,1.0,43.4962005615234,0.281642496585846,1.89999997615814,0.665000021457672,2.0,10.0,18.0
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%2C1H3,12.0,12.0,16.0,5.0,0.948599994182587,2.0,76.3904037475586,0.899841964244843,2.77999997138977,1.75199997425079,1.0,20.0,31.0
InChI%3D1S%2FC6H4Cl3N%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2H%2C10H2,6.0,6.0,7.0,0.0,1.3128000497818,0.0,48.6542015075684,1.72344386577606,1.67999994754791,2.0550000667572,1.0,10.0,14.0
InChI%3D1S%2FC9H13N%2Fc1-6-4-8%283%299%2810%295-7%286%292%2Fh4-5H%2C10H2%2C1-3H3,6.0,6.0,7.0,0.0,1.54589998722076,0.0,47.3516006469727,2.38980674743652,2.33999991416931,1.5,0.0,10.0,23.0
InChI%3D1S%2FC6Cl5NO2%2Fc7-1-2%288%294%2810%296%2812%2813%2914%295%2811%293%281%299,6.0,6.0,9.0,3.0,3.67490005493164,1.0,30.9638004302979,13.5048904418945,1.24000000953674,3.16300010681152,0.0,14.0,14.0
InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H,0.0,0.0,2.0,5.0,1.74279999732971,0.0,25.2621994018555,3.03735184669495,1.35000002384186,2.64199995994568,1.0,4.0,6.0
InChI%3D1S%2FC6H12Br2O4%2Fc7-1-3%289%295%2811%296%2812%294%2810%292-8%2Fh3-6%2C9-12H%2C1-2H2,0.0,0.0,0.0,12.0,-0.241999998688698,5.0,50.472599029541,0.0585639998316765,1.46000003814697,-0.272000014781952,4.0,11.0,24.0
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%29,12.0,12.0,15.0,4.0,1.9621000289917,1.0,74.8607025146484,3.8498363494873,2.89000010490417,2.59800004959106,1.0,19.0,30.0
InChI%3D1S%2FC6H12Cl2O%2Fc1-5%283-7%299-6%282%294-8%2Fh5-6H%2C3-4H2%2C1-2H3,0.0,0.0,0.0,9.0,1.35950005054474,4.0,40.8679008483887,1.84824025630951,1.78999996185303,2.47000002861023,0.0,8.0,21.0
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%29,0.0,0.0,4.0,1.0,-1.73510003089905,2.0,51.6804008483887,3.01057195663452,1.35000002384186,-1.72200000286102,7.0,18.0,33.0
InChI%3D1S%2FC12H12N2O2%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%2Fh1-6%2C15-16H%2C13-14H2,12.0,12.0,16.0,0.0,-1.10399997234344,1.0,69.7819976806641,1.21881604194641,2.33999991416931,1.09800004959106,4.0,17.0,28.0
InChI%3D1S%2FC12H17NO3%2Fc1-3-16-11-6-4-10%285-7-11%2913-12%2815%298-9%282%2914%2Fh4-7%2C9%2C14H%2C3%2C8H2%2C1-2H3%2C%28H%2C13%2C15%29,6.0,6.0,10.0,7.0,-0.351000010967255,6.0,65.0727005004883,0.123200997710228,2.33999991416931,1.067999958992,2.0,16.0,33.0
InChI%3D1S%2FC12H13N3O%2Fc13-8-1-3-9%284-2-8%2916-10-5-6-11%2814%2912%2815%297-10%2Fh1-7H%2C13-15H2,12.0,12.0,16.0,0.0,-1.8309999704361,2.0,72.8355026245117,3.35256099700928,2.33999991416931,0.264999985694885,3.0,17.0,29.0
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,12.0,12.0,14.0,0.0,2.66899991035461,0.0,25.7005996704102,7.12356090545654,2.11999988555908,4.15999984741211,0.0,20.0,22.0
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%2920,0.0,0.0,2.0,0.0,4.4987998008728,0.0,83.1997985839844,20.239200592041,1.35000002384186,3.7260000705719,0.0,25.0,21.0
InChI%3D1S%2FC26H34O6%2Fc1-25%282%2C23%2827%2928%2914-8-16-31-20-12-13-22%2821%2818-20%2919-10-6-5-7-11-19%2932-17-9-15-26%283%2C4%2924%2829%2930%2Fh5-7%2C10-13%2C18H%2C8-9%2C14-17H2%2C1-4H3%2C%28H%2C27%2C28%29%28H%2C29%2C30%29,12.0,12.0,14.0,10.0,2.13459992408752,13.0,128.031402587891,4.55651712417603,3.66000008583069,4.4210000038147,2.0,33.0,66.0
InChI%3D1S%2FC7H9N%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C8H2%2C1H3,6.0,6.0,7.0,0.0,0.65310001373291,0.0,38.7876014709473,0.426539599895477,2.11999988555908,0.716000020503998,1.0,8.0,17.0
InChI%3D1S%2FC7H5Cl2NO2%2Fc8-3-1-4%287%2811%2912%296%289%295%2810%292-3%2Fh1-2H%2C10H2%2C%28H%2C11%2C12%29,6.0,6.0,10.0,2.0,0.508700013160706,1.0,49.937198638916,0.258775681257248,1.67999994754791,1.0110000371933,2.0,12.0,17.0
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H,6.0,6.0,8.0,0.0,0.277200013399124,0.0,34.1668014526367,0.076839841902256,1.89999997615814,1.08299994468689,2.0,8.0,14.0
InChI%3D1S%2FC6H7N3O2%2Fc7-4-1-2-5%288%296%283-4%299%2810%2911%2Fh1-3H%2C7-8H2,6.0,6.0,11.0,2.0,-1.54639995098114,1.0,11.3299999237061,2.391352891922,1.57000005245209,1.48099994659424,2.0,11.0,18.0
InChI%3D1S%2FC7H9N3O%2Fc8-7%2811%2910-9-6-4-2-1-3-5-6%2Fh1-5%2C9H%2C%28H3%2C8%2C10%2C11%29,6.0,6.0,11.0,5.0,0.461699992418289,3.0,44.5610008239746,0.213166892528534,1.78999996185303,1.60599994659424,4.0,11.0,20.0
InChI%3D1S%2FC6H6N6O%2Fc1-12%2811-13%296-4-5%288-2-7-4%299-3-10-6%2Fh2-3H%2C1H3%2C%28H%2C7%2C8%2C9%2C10%29,6.0,6.0,11.0,4.0,-1.55309998989105,2.0,45.6244010925293,2.4121196269989,1.35000002384186,-1.27699995040894,2.0,14.0,21.0
InChI%3D1S%2FC16H11N3O6%2Fc1-18-8-12%2816%2821%2922%2914%2820%2911-6-3-9%2817-15%2811%2918%292-4-10-5-7-13%2825-10%2919%2823%2924%2Fh2-8H%2C1H3%2C%28H%2C21%2C22%29,11.0,11.0,20.0,2.0,-0.254099994897842,4.0,44.3172988891602,0.0645668134093285,2.23000001907349,2.17000007629395,1.0,27.0,37.0
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3,0.0,0.0,3.0,6.0,-0.125900000333786,1.0,24.7532005310059,0.0158508103340864,1.67999994754791,0.680999994277954,1.0,5.0,15.0
InChI%3D1S%2FC9H11NO2%2Fc1-2-12-8-6-4-3-5-7%288%299%2810%2911%2Fh3-6H%2C2H2%2C1H3%2C%28H2%2C10%2C11%29,6.0,6.0,10.0,3.0,0.878000020980835,3.0,49.1493988037109,0.770883977413177,2.11999988555908,1.62899994850159,2.0,12.0,23.0
InChI%3D1S%2FC8H13NO2%2Fc1-9-5-3-4-7%286-9%298%2810%2911-2%2Fh4H%2C3%2C5-6H2%2C1-2H3,0.0,0.0,5.0,4.0,0.134100005030632,2.0,42.0176010131836,0.0179828107357025,2.00999999046326,0.172000005841255,0.0,11.0,24.0
InChI%3D1S%2FC8H10N2S%2Fc1-2-7-5-6%288%289%2911%293-4-10-7%2Fh3-5H%2C2H2%2C1H3%2C%28H2%2C9%2C11%29,6.0,6.0,8.0,2.0,0.0834000036120415,2.0,50.5564002990723,0.00695555983111262,2.00999999046326,0.745999991893768,1.0,11.0,21.0
InChI%3D1S%2FC12H10N2O%2Fc15-14-12-8-6-11%287-9-12%2913-10-4-2-1-3-5-10%2Fh1-9%2C13H,12.0,12.0,15.0,2.0,1.02269995212555,3.0,64.6376037597656,1.04591524600983,2.45000004768372,1.54799997806549,1.0,16.0,25.0
InChI%3D1S%2FC6H7ClN2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3H%2C8-9H2,6.0,6.0,8.0,0.0,-0.621299982070923,0.0,42.771598815918,0.386013686656952,1.78999996185303,0.409000009298325,2.0,9.0,16.0
InChI%3D1S%2FC6H11NO2%2Fc1-3-5-6%284-2%297%288%299%2Fh5H%2C3-4H2%2C1-2H3,0.0,0.0,5.0,9.0,-0.499000012874603,3.0,30.1527004241943,0.249000996351242,1.78999996185303,2.0699999332428,0.0,8.0,20.0
InChI%3D1S%2FC3H6O2%2Fc4-1-3-2-5-3%2Fh3-4H%2C1-2H2,0.0,0.0,0.0,2.0,-0.641600012779236,1.0,17.0060005187988,0.411650568246841,1.57000005245209,-0.861999988555908,1.0,5.0,11.0
InChI%3D1S%2FC24H36O5%2Fc1-5-15%283%2924%2827%2929-21-11-14%282%2910-17-7-6-16%284%2920%2823%2817%2921%299-8-19-12-18%2825%2913-22%2826%2928-19%2Fh6-7%2C10%2C14-16%2C18-21%2C23%2C25H%2C5%2C8-9%2C11-13H2%2C1-4H3,0.0,0.0,4.0,7.0,-0.099200002849102,7.0,105.645500183105,0.00984064023941755,3.54999995231628,4.57399988174438,1.0,31.0,65.0
InChI%3D1S%2FC6H4F4N2%2Fc7-1-2%288%295%2811%294%2810%296%2812%293%281%299%2Fh11-12H2,6.0,6.0,8.0,0.0,-1.35080003738403,0.0,38.5666007995605,1.82466065883636,1.46000003814697,0.296000003814697,2.0,12.0,16.0
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,6.0,6.0,12.0,2.0,0.548799991607666,2.0,11.273699760437,0.301181435585022,1.57000005245209,2.68199992179871,0.0,13.0,19.0
InChI%3D1S%2FC5H8%2Fc1-4-5%282%293%2Fh4H%2C1-2H2%2C3H3,0.0,0.0,4.0,5.0,1.8614000082016,1.0,24.5764007568359,3.46480989456177,2.00999999046326,2.34800004959106,0.0,4.0,13.0
InChI%3D1S%2FC15H11ClN2O2%2Fc16-10-6-7-12-11%288-10%2913%289-4-2-1-3-5-9%2918-15%2820%2914%2819%2917-12%2Fh1-8%2C15%2C20H%2C%28H%2C17%2C19%29,12.0,12.0,17.0,0.0,1.82760000228882,1.0,84.3552017211914,3.34012174606323,2.55999994277954,1.48300004005432,0.0,22.0,31.0
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,0.0,0.0,0.0,0.0,-0.344300001859665,0.0,24.4801998138428,0.118542492389679,1.67999994754791,-0.174999997019768,2.0,6.0,16.0
InChI%3D1S%2FC14H19NO2%2Fc1-17-14%2816%2913%2811-7-3-2-4-8-11%2912-9-5-6-10-15-12%2Fh2-4%2C7-8%2C12-13%2C15H%2C5-6%2C9-10H2%2C1H3,6.0,6.0,6.0,5.0,-0.24889999628067,4.0,65.4906005859375,0.0619512088596821,2.67000007629395,2.30900001525879,1.0,18.0,36.0
InChI%3D1S%2FC4H7Cl2O4P%2Fc1-8-11%287%2C9-2%2910-3-4%285%296%2Fh3H%2C1-2H3,0.0,0.0,7.0,11.0,1.03320002555847,4.0,42.2757987976074,1.06750226020813,1.12999999523163,1.20700001716614,0.0,10.0,18.0
InChI%3D1S%2FC6H11IO3%2Fc1-4%287%296-9-3-5%282-8%2910-6%2Fh4-6%2C8H%2C2-3H2%2C1H3,0.0,0.0,0.0,3.0,0.757499992847443,2.0,45.0453987121582,0.57380622625351,1.67999994754791,0.722000002861023,1.0,10.0,21.0
InChI%3D1S%2FC6H6O4%2Fc7-2-4-1-5%288%296%289%293-10-4%2Fh1%2C3%2C7%2C9H%2C2H2,0.0,0.0,1.0,2.0,-1.48800003528595,1.0,32.7886009216309,2.21414399147034,1.67999994754791,-1.56200003623962,2.0,10.0,20.0
InChI%3D1S%2FC12H14N2O2%2Fc1-2-12%289-6-4-3-5-7-9%2910%2815%2913-8-14-11%2812%2916%2Fh3-7H%2C2%2C8H2%2C1H3%2C%28H%2C13%2C15%29%28H%2C14%2C16%29,6.0,6.0,6.0,2.0,-0.0487999990582466,2.0,62.2924003601074,0.00238144001923501,2.33999991416931,1.86800003051758,0.0,17.0,30.0
InChI%3D1S%2FC7H5Cl3%2Fc8-7%289%2C10%296-4-2-1-3-5-6%2Fh1-5H,6.0,6.0,6.0,3.0,2.89599990844727,1.0,50.6747016906738,8.38681602478027,1.89999997615814,2.74000000953674,0.0,10.0,15.0
InChI%3D1S%2FC2H5NO%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,0.0,0.0,3.0,4.0,-0.0716999992728233,0.0,13.9007997512817,0.00514088990166783,1.46000003814697,0.32600000500679,2.0,3.0,9.0
InChI%3D1S%2FC2H8N2O%2Fc3-4-1-2-5%2Fh4-5H%2C1-3H2,0.0,0.0,2.0,5.0,-1.45299994945526,2.0,20.5730991363525,2.11120891571045,1.35000002384186,-1.49899995326996,3.0,4.0,13.0
InChI%3D1S%2FC6H8O%2Fc1-2-3-4-5-6-7%2Fh2-6H%2C1H3,0.0,0.0,6.0,7.0,1.07599997520447,2.0,32.5885009765625,1.15777599811554,2.00999999046326,1.5110000371933,0.0,6.0,15.0
InChI%3D1S%2FC12H8Cl6O%2Fc13-8-9%2814%2911%2816%295-3-1-2%286-7%283%2919-6%294%285%2910%288%2C15%2912%2811%2C17%2918%2Fh2-7H%2C1H2,0.0,0.0,2.0,0.0,2.33809995651245,0.0,76.1249008178711,5.46671152114868,2.00999999046326,3.00500011444092,0.0,23.0,27.0
InChI%3D1S%2FC14H8Cl4%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2918%2910-3-7-12%2816%298-4-10%2Fh1-8H,12.0,12.0,14.0,4.0,4.40570020675659,2.0,88.3156967163086,19.410192489624,2.55999994277954,4.06599998474121,1.0,19.0,26.0
InChI%3D1S%2FC13H19NO4S%2Fc1-3-9-14%2810-4-2%2919%2817%2C18%2912-7-5-11%286-8-12%2913%2815%2916%2Fh5-8H%2C3-4%2C9-10H2%2C1-2H3%2C%28H%2C15%2C16%29,6.0,6.0,13.0,10.0,-0.865499973297119,7.0,74.4692993164062,0.749090254306793,2.23000001907349,0.953999996185303,1.0,19.0,38.0
InChI%3D1S%2FC3H6O%2Fc1-3-2-4-3%2Fh3H%2C2H2%2C1H3,0.0,0.0,0.0,0.0,-0.141599997878075,0.0,15.6279001235962,0.0200505591928959,1.67999994754791,0.270000010728836,1.0,4.0,10.0
InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3%2C5-8H%2C1%2C4H2%2C2H3,6.0,6.0,7.0,3.0,1.73790001869202,3.0,51.2809982299805,3.02029633522034,2.45000004768372,2.51500010490417,0.0,11.0,23.0
InChI%3D1S%2FC6H12N2%2Fc1-3-5-7-8-6-4-2%2Fh3-4%2C7-8H%2C1-2%2C5-6H2,0.0,0.0,2.0,8.0,0.597400009632111,5.0,36.3188018798828,0.356886774301529,1.89999997615814,1.81400001049042,2.0,7.0,20.0
InChI%3D1S%2FC30H22O12%2Fc1-5-3-7%2831%299-11%2819%285%2933%2927%2841%2929-13-14-24%2838%2917%2829%2926%2840%2916-22%2836%2910-8%2832%294-6%282%2920%2834%2912%2810%2928%2842%2930%2814%2C16%2918%2823%2813%2937%2925%2839%2915%2829%2921%289%2935%2Fh3-4%2C13-14%2C17-18%2C23-24%2C31-38H%2C1-2H3,12.0,12.0,15.0,0.0,-3.09120011329651,0.0,146.364196777344,9.55551719665527,3.44000005722046,-2.21799993515015,8.0,49.0,64.0
InChI%3D1S%2FC12H15N3O5%2Fc13-9%2812%2819%2920%295-6-10%2816%2915-14-8-3-1-7%282-4-8%2911%2817%2918%2Fh1-4%2C9%2C14H%2C5-6%2C13H2%2C%28H%2C15%2C16%29%28H%2C17%2C18%29%28H%2C19%2C20%29,6.0,6.0,13.0,11.0,-1.3808000087738,7.0,70.2841033935547,1.90660858154297,1.89999997615814,-2.07399988174438,5.0,20.0,35.0
InChI%3D1S%2FC16H14Cl2O3%2Fc1-2-21-15%2819%2916%2820%2C11-3-7-13%2817%298-4-11%2912-5-9-14%2818%2910-6-12%2Fh3-10%2C20H%2C2H2%2C1H3,12.0,12.0,6.0,7.0,2.66939997673035,5.0,90.053596496582,7.12569618225098,2.67000007629395,1.82099997997284,1.0,22.0,35.0
InChI%3D1S%2FC12H5Cl5%2Fc13-8-3-1-2-6%2810%288%2915%297-4-5-9%2814%2912%2817%2911%287%2916%2Fh1-5H,12.0,12.0,12.0,0.0,4.25909996032715,1.0,83.0523986816406,18.1399326324463,2.23000001907349,4.27099990844727,0.0,18.0,22.0
InChI%3D1S%2FC2H5N%2Fc1-2-3-1%2Fh3H%2C1-2H2,0.0,0.0,0.0,0.0,-0.397199988365173,0.0,12.7243995666504,0.157767847180367,1.57000005245209,-0.386000007390976,1.0,3.0,8.0
InChI%3D1S%2FC3H5Cl%2Fc1-2-3-4%2Fh2-3H%2C1H3,0.0,0.0,2.0,4.0,1.20179998874664,0.0,20.6812992095947,1.44432318210602,1.67999994754791,1.86199998855591,0.0,3.0,9.0
InChI%3D1S%2FC3H5ClO%2Fc1-3%284%292-5%2Fh2-3H%2C1H3,0.0,0.0,1.0,5.0,0.446099996566772,1.0,21.1310005187988,0.199005216360092,1.57000005245209,0.864000022411346,0.0,4.0,10.0
InChI%3D1S%2FC5H10N2O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H2,0.0,0.0,3.0,2.0,-0.954599976539612,1.0,26.8162994384766,0.911261141300201,1.67999994754791,0.818000018596649,0.0,8.0,18.0
InChI%3D1S%2FC6H12N3PS%2Fc11-10%287-1-2-7%2C8-3-4-8%299-5-6-9%2Fh1-6H2,0.0,0.0,5.0,1.0,-0.761099994182587,3.0,50.7221984863281,0.579273223876953,1.57000005245209,0.759999990463257,0.0,13.0,23.0
InChI%3D1S%2FC17H17ClO3%2Fc1-17%282%2C16%2819%2920%2921-11-12-3-5-13%286-4-12%2914-7-9-15%2818%2910-8-14%2Fh3-10H%2C11H2%2C1-2H3%2C%28H%2C19%2C20%29,12.0,12.0,12.0,8.0,2.80049991607666,5.0,90.2861022949219,7.84280014038086,2.89000010490417,2.48799991607666,1.0,22.0,38.0
InChI%3D1S%2FC2H3Cl%2Fc1-2-3%2Fh2H%2C1H2,0.0,0.0,2.0,3.0,1.00199997425079,0.0,14.7774000167847,1.00400400161743,1.57000005245209,1.54900002479553,0.0,2.0,6.0
InChI%3D1S%2FC2H5Cl%2Fc1-2-3%2Fh2H2%2C1H3,0.0,0.0,0.0,3.0,1.09700000286102,0.0,15.6061000823975,1.20340895652771,1.57000005245209,1.39800000190735,0.0,2.0,8.0
InChI%3D1S%2FC2H5Br%2Fc1-2-3%2Fh2H2%2C1H3,0.0,0.0,0.0,3.0,1.24150002002716,0.0,18.589599609375,1.54132223129272,1.57000005245209,1.73599994182587,0.0,2.0,8.0
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%2B1,6.0,6.0,6.0,4.0,0.232800006866455,4.0,64.4306030273438,0.0541958399116993,2.00999999046326,0.681999981403351,4.0,18.0,32.0
InChI%3D1S%2FC7H9N%2Fc1-6-3-2-4-7%288%295-6%2Fh2-5H%2C8H2%2C1H3,6.0,6.0,7.0,0.0,0.65310001373291,0.0,38.7876014709473,0.426539599895477,2.11999988555908,0.926999986171722,1.0,8.0,17.0
InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3,0.0,0.0,0.0,5.0,1.50109994411469,1.0,25.2399997711182,2.25330114364624,1.57000005245209,2.03699994087219,0.0,4.0,11.0
InChI%3D1S%2FC12H12N2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,12.0,12.0,15.0,0.0,-0.634299993515015,2.0,69.2856979370117,0.402336478233337,2.45000004768372,0.757000029087067,2.0,16.0,27.0
InChI%3D1S%2FC7H6O%2Fc8-6-7-4-2-1-3-5-7%2Fh1-6H,6.0,6.0,8.0,2.0,1.01540005207062,1.0,36.029598236084,1.03103721141815,2.11999988555908,1.06299996376038,0.0,8.0,14.0
InChI%3D1S%2FC10H8Cl8%2Fc1-4-7%282-11%2C3-12%299%2816%296%2814%295%2813%298%284%2C15%2910%289%2C17%2918%2Fh5-6H%2C1-3H2,0.0,0.0,2.0,1.0,5.04790019989014,2.0,80.5724029541016,25.481294631958,1.67999994754791,4.52099990844727,0.0,19.0,26.0
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%2C2-3H3,0.0,0.0,4.0,4.0,1.32949995994568,2.0,93.5656967163086,1.76757025718689,3.54999995231628,3.98399996757507,0.0,28.0,53.0
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%29,6.0,6.0,7.0,3.0,0.364499986171722,2.0,45.2159996032715,0.132860243320465,1.78999996185303,0.88400000333786,1.0,11.0,21.0
InChI%3D1S%2FC24H51O4P%2Fc1-7-13-16-22%2810-4%2919-26-29%2825%2C27-20-23%2811-5%2917-14-8-2%2928-21-24%2812-6%2918-15-9-3%2Fh22-24H%2C7-21H2%2C1-6H3,0.0,0.0,5.0,29.0,-2.49959993362427,21.0,108.505699157715,6.2480001449585,3.54999995231628,9.37199974060059,0.0,28.0,80.0
InChI%3D1S%2FC8H14O2%2Fc1-4-5-10-8%289%296-7%282%293%2Fh4%2C7H%2C1%2C5-6H2%2C2-3H3,0.0,0.0,3.0,10.0,1.23570001125336,5.0,39.9681015014648,1.52695453166962,2.11999988555908,2.18600010871887,0.0,9.0,24.0
InChI%3D1S%2FC10H9Cl7%2Fc1-4-6%282%2C3%298%2813%295%2811%297%284%2C12%299%2814%2C15%2910%288%2C16%2917%2Fh5H%2C1H2%2C2-3H3,0.0,0.0,2.0,0.0,5.21360015869141,0.0,76.4124984741211,27.1816253662109,1.78999996185303,4.35300016403198,0.0,18.0,26.0
InChI%3D1S%2FC10H6Cl8%2Fc11-3-1-2-4%285%283%2912%299%2816%297%2814%296%2813%298%282%2C15%2910%289%2C17%2918%2Fh2-5H%2C1H2,0.0,0.0,2.0,0.0,4.24259996414185,0.0,78.1775970458984,17.9996547698975,1.67999994754791,4.35500001907349,0.0,20.0,24.0
InChI%3D1S%2FC12H9N%2Fc1-3-7-11-9%285-1%2910-6-2-4-8-12%2810%2913-11%2Fh1-8%2C13H,0.0,0.0,2.0,0.0,3.03819990158081,0.0,73.127197265625,9.23065948486328,1.67999994754791,3.03200006484985,1.0,21.0,23.0
InChI%3D1S%2FC13H11ClO%2Fc14-12-6-7-13%2815%2911%289-12%298-10-4-2-1-3-5-10%2Fh1-7%2C9%2C15H%2C8H2,12.0,12.0,7.0,0.0,2.6774001121521,2.0,70.3940963745117,7.16847085952759,2.67000007629395,3.03699994087219,1.0,16.0,26.0
InChI%3D1S%2FC8H11NO%2Fc1-6-3-4-8%2810-2%297%289%295-6%2Fh3-5H%2C9H2%2C1-2H3,6.0,6.0,8.0,2.0,0.154499992728233,1.0,45.4310989379883,0.023870250210166,2.11999988555908,0.955999970436096,1.0,10.0,21.0
InChI%3D1S%2FC4H8N2O%2Fc1-3-5-6%282%294-7%2Fh3-4H%2C1-2H3,0.0,0.0,5.0,7.0,-0.625699996948242,2.0,27.4659996032715,0.391500502824783,1.57000005245209,0.550999999046326,0.0,6.0,15.0
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,0.0,0.0,0.0,0.0,-0.706900000572205,0.0,16.86669921875,0.499707609415054,1.78999996185303,0.526000022888184,0.0,5.0,13.0
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%2C1H3,12.0,12.0,18.0,4.0,0.229800000786781,5.0,95.2453002929688,0.0528080388903618,3.10999989509583,2.36999988555908,0.0,25.0,43.0
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%29,12.0,12.0,27.0,3.0,0.563000023365021,4.0,113.425003051758,0.316969007253647,2.23000001907349,-0.305999994277954,3.0,31.0,45.0
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%29,0.0,0.0,3.0,5.0,-1.93599998950958,3.0,43.4147987365723,3.74809598922729,1.35000002384186,-1.98099994659424,3.0,13.0,27.0
InChI%3D1S%2FC10H12O2%2Fc1-3-10%2811%298-4-6-9%2812-2%297-5-8%2Fh3-7%2C10-11H%2C1H2%2C2H3,6.0,6.0,7.0,4.0,0.906000018119812,3.0,52.488899230957,0.820836007595062,2.33999991416931,0.680000007152557,1.0,12.0,24.0
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%29,6.0,6.0,9.0,6.0,-0.297300010919571,6.0,68.1613006591797,0.0883872881531715,2.33999991416931,1.24899995326996,3.0,16.0,35.0
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%2C1-2H3,6.0,6.0,8.0,12.0,-1.27579998970032,13.0,93.1712036132812,1.62766563892365,3.0,3.28099989891052,0.0,25.0,54.0
InChI%3D1S%2FC22H42O4%2Fc1-5-9-13-19%287-3%2917-25-21%2823%2915-11-12-16-22%2824%2926-18-20%288-4%2914-10-6-2%2Fh19-20H%2C5-18H2%2C1-4H3,0.0,0.0,3.0,26.0,-2.28920006752014,19.0,92.5029983520508,5.24043655395508,3.44000005722046,7.35599994659424,0.0,25.0,68.0
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%2C1-2H3,12.0,12.0,14.0,0.0,0.915000021457672,1.0,75.1350021362305,0.837225019931793,2.77999997138977,1.18599998950958,0.0,17.0,32.0
InChI%3D1S%2FC5H8O2%2Fc1-3-5%286%297-4-2%2Fh3H%2C1%2C4H2%2C2H3,0.0,0.0,5.0,7.0,0.862399995326996,3.0,26.3542995452881,0.743733763694763,1.78999996185303,0.955999970436096,1.0,6.0,15.0
InChI%3D1S%2FC6H4Cl2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,6.0,6.0,6.0,0.0,2.14079999923706,0.0,40.3881988525391,4.58302450180054,1.89999997615814,1.97000002861023,0.0,8.0,12.0
InChI%3D1S%2FC4H12N2%2Fc1-2-3-4-6-5%2Fh6H%2C2-5H2%2C1H3,0.0,0.0,2.0,6.0,-1.52900004386902,3.0,25.0181999206543,2.33784103393555,1.67999994754791,0.560000002384186,2.0,5.0,18.0
InChI%3D1S%2FC5H6O2%2Fc6-4-5-2-1-3-7-5%2Fh1-3%2C6H%2C4H2,5.0,5.0,5.0,2.0,-0.602800011634827,1.0,8.89589977264404,0.363367825746536,1.78999996185303,0.382999986410141,1.0,7.0,13.0
InChI%3D1S%2FC6H15NO3%2Fc8-4-1-7%282-5-9%293-6-10%2Fh8-10H%2C1-6H2,0.0,0.0,0.0,10.0,-1.29809999465942,6.0,38.8650016784668,1.68506360054016,1.67999994754791,-2.06399989128113,3.0,9.0,25.0
InChI%3D1S%2FC4H8Cl2O%2Fc5-1-3-7-4-2-6%2Fh1-4H2,0.0,0.0,0.0,7.0,1.38090002536774,4.0,31.6991004943848,1.90688478946686,1.57000005245209,1.54999995231628,0.0,6.0,15.0
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%2C1H3,12.0,12.0,18.0,2.0,-1.13530004024506,1.0,90.2273025512695,1.28890609741211,2.77999997138977,1.65199995040894,5.0,28.0,36.0
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H,6.0,6.0,9.0,3.0,0.697700023651123,1.0,8.50139999389648,0.486785292625427,1.67999994754791,2.77900004386902,0.0,10.0,14.0
InChI%3D1S%2FC15H12N2O2%2Fc18-13-15%2817-14%2819%2916-13%2C11-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H%2C%28H2%2C16%2C17%2C18%2C19%29,12.0,12.0,6.0,0.0,1.8396999835968,2.0,78.5282974243164,3.38449597358704,2.67000007629395,1.55400002002716,0.0,21.0,31.0
InChI%3D1S%2FC10H10N2%2Fc11-9-5-1-3-7-8%289%294-2-6-10%287%2912%2Fh1-6H%2C11-12H2,11.0,10.0,12.0,0.0,-0.445600003004074,0.0,56.2523994445801,0.198559358716011,2.33999991416931,0.129999995231628,2.0,13.0,22.0
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%29,10.0,10.0,17.0,4.0,-0.180999994277954,4.0,25.4272003173828,0.0327610000967979,1.35000002384186,2.51999998092651,0.0,18.0,23.0
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%29,0.0,0.0,5.0,3.0,-2.74819993972778,4.0,62.8157997131348,7.55260324478149,1.78999996185303,-1.40199995040894,2.0,20.0,35.0
InChI%3D1S%2FC10H14N2O2%2Fc1-3-14-10-5-4-8%286-9%2810%2911%2912-7%282%2913%2Fh4-6H%2C3%2C11H2%2C1-2H3%2C%28H%2C12%2C13%29,6.0,6.0,11.0,4.0,-0.560000002384186,3.0,58.6713981628418,0.31360000371933,2.11999988555908,0.867999970912933,2.0,14.0,28.0
InChI%3D1S%2FC6H8N2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H%2C7-8H2,6.0,6.0,9.0,0.0,-1.55309998989105,0.0,39.6609001159668,2.4121196269989,1.78999996185303,0.180000007152557,3.0,9.0,17.0
InChI%3D1S%2FC7H6O3%2Fc8-5-1-2-6-7%283-5%2910-4-9-6%2Fh1-3%2C8H%2C4H2,6.0,6.0,9.0,0.0,-0.356000006198883,0.0,38.6888008117676,0.126736000180244,1.89999997615814,1.14199995994568,1.0,11.0,16.0
InChI%3D1S%2FC10H10O2%2Fc1-2-3-8-4-5-9-10%286-8%2912-7-11-9%2Fh2%2C4-6H%2C1%2C3%2C7H2,6.0,6.0,8.0,3.0,1.04019999504089,2.0,50.7649993896484,1.08201599121094,2.33999991416931,2.47099995613098,0.0,13.0,22.0
InChI%3D1S%2FC7H8N2O3%2Fc1-12-7-3-2-5%289%2810%2911%294-6%287%298%2Fh2-4H%2C8H2%2C1H3,6.0,6.0,11.0,2.0,-0.848299980163574,2.0,14.4237003326416,0.719612896442413,1.67999994754791,1.20899999141693,1.0,12.0,20.0
InChI%3D1S%2FC10H9N%2Fc11-10-6-5-8-3-1-2-4-9%288%297-10%2Fh1-7H%2C11H2,11.0,10.0,11.0,0.0,0.75110000371933,0.0,52.7025985717773,0.564151227474213,2.45000004768372,1.67700004577637,0.0,12.0,20.0
InChI%3D1S%2FC8H8O%2Fc1-2-4-7%285-3-1%298-6-9-8%2Fh1-5%2C8H%2C6H2,6.0,6.0,6.0,0.0,1.01489996910095,1.0,39.464900970459,1.03002202510834,2.23000001907349,1.00499999523163,0.0,10.0,17.0
InChI%3D1S%2FC2H3F%2Fc1-2-3%2Fh2H%2C1H2,0.0,0.0,2.0,3.0,0.543099999427795,0.0,10.1890001296997,0.294957607984543,1.57000005245209,1.08800005912781,0.0,2.0,6.0
InChI%3D1S%2FC15H24O%2Fc1-10-8-11%2814%282%2C3%294%2913%2816%2912%289-10%2915%285%2C6%297%2Fh8-9%2C16H%2C1-7H3,6.0,6.0,7.0,3.0,4.00790023803711,2.0,72.6567001342773,16.0632629394531,3.0,4.46000003814697,1.0,16.0,40.0
InChI%3D1S%2FC24H12O2%2Fc25-23-17-7-3-1-5-13%2817%2915-9-11-20-22-16%2810-12-19%2823%2921%2815%2922%2914-6-2-4-8-18%2814%2924%2820%2926%2Fh1-12H,11.0,10.0,24.0,0.0,2.29620003700256,0.0,111.360397338867,5.27253437042236,3.88000011444092,2.8840000629425,0.0,31.0,40.0
InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3,0.0,0.0,0.0,9.0,-1.26059997081757,5.0,35.0635986328125,1.58911240100861,2.23000001907349,2.85500001907349,1.0,8.0,27.0
InChI%3D1S%2FC15H16N4O%2Fc1-3-19-15-13%2810%282%2918-19%2917-12%2820%299-16-14%2815%2911-7-5-4-6-8-11%2Fh4-8H%2C3%2C9H2%2C1-2H3%2C%28H%2C17%2C20%29,6.0,6.0,8.0,2.0,0.445600003004074,2.0,81.4896011352539,0.198559358716011,2.55999994277954,0.644999980926514,1.0,22.0,40.0
InChI%3D1S%2FCH5N3O%2Fc2-1%285%294-3%2Fh3H2%2C%28H3%2C2%2C4%2C5%29,0.0,0.0,5.0,5.0,-0.670000016689301,1.0,16.2616004943848,0.448900014162064,1.12999999523163,-0.663999974727631,4.0,4.0,10.0
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%2C5-8H2,6.0,6.0,8.0,2.0,-0.160999998450279,6.0,61.7322006225586,0.0259210001677275,2.33999991416931,0.569999992847443,0.0,18.0,30.0
InChI%3D1S%2FC3H8N2O%2Fc1-2-5%284%293-6%2Fh3H%2C2%2C4H2%2C1H3,0.0,0.0,4.0,6.0,-0.94650000333786,2.0,24.0685005187988,0.895862221717834,1.46000003814697,-1.20700001716614,1.0,5.0,14.0
InChI%3D1S%2FC12H13NO4S2%2Fc1-2-18%2814%2C15%2911-7-8-12%2819%2813%2C16%2917%2910-6-4-3-5-9%2810%2911%2Fh3-8H%2C2H2%2C1H3%2C%28H2%2C13%2C16%2C17%29,11.0,10.0,17.0,5.0,0.0452000014483929,3.0,77.581901550293,0.00204304000362754,2.00999999046326,-0.216000005602837,1.0,20.0,32.0
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,12.0,12.0,6.0,5.0,4.80690002441406,3.0,93.4157028198242,23.1062870025635,2.45000004768372,4.05600023269653,0.0,20.0,28.0
InChI%3D1S%2FC2H2Cl2%2Fc1-2%283%294%2Fh1H2,0.0,0.0,2.0,4.0,1.68799996376038,0.0,20.460599899292,2.84934401512146,1.46000003814697,1.93299996852875,0.0,3.0,6.0
InChI%3D1S%2FC7H8ClN%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C9H2%2C1H3,6.0,6.0,7.0,0.0,1.02180004119873,0.0,43.5037994384766,1.04407525062561,2.00999999046326,1.08200001716614,1.0,9.0,17.0
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%2C1-2H3,12.0,12.0,16.0,6.0,1.97979998588562,4.0,91.2618026733398,3.9196081161499,3.22000002861023,4.05200004577637,2.0,21.0,40.0
InChI%3D1S%2FC8H12N2%2Fc9-10-7-6-8-4-2-1-3-5-8%2Fh1-5%2C10H%2C6-7%2C9H2,6.0,6.0,6.0,4.0,0.459100008010864,3.0,47.4837989807129,0.210772812366486,2.11999988555908,0.882000029087067,2.0,10.0,22.0
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%29,11.0,10.0,14.0,0.0,-0.172900006175041,0.0,62.4096984863281,0.0298944097012281,2.23000001907349,1.74300003051758,2.0,17.0,25.0
InChI%3D1S%2FH2O4S%2Fc1-5%282%2C3%294%2Fh%28H2%2C1%2C2%2C3%2C4%29,0.0,0.0,5.0,5.0,-0.657800018787384,0.0,13.1971998214722,0.432700842618942,0.910000026226044,-1.76400005817413,2.0,4.0,7.0
InChI%3D1S%2FC7H14N2O%2Fc1-3-4-5-6-8-9%282%297-10%2Fh6-7H%2C3-5H2%2C1-2H3,0.0,0.0,5.0,10.0,-1.12549996376038,5.0,38.3126983642578,1.26675021648407,1.89999997615814,1.94200003147125,0.0,9.0,24.0
InChI%3D1S%2FC20H38N6O4%2Fc1-12%282%299-16%2824-14%285%2928%2919%2830%2926-17%2810-13%283%294%2918%2829%2925-15%2811-27%297-6-8-23-20%2821%2922%2Fh11-13%2C15-17H%2C6-10H2%2C1-5H3%2C%28H%2C24%2C28%29%28H%2C25%2C29%29%28H%2C26%2C30%29%28H4%2C21%2C22%2C23%29,0.0,0.0,4.0,30.0,-0.275499999523163,15.0,106.290199279785,0.0759002491831779,2.55999994277954,2.73799991607666,6.0,29.0,68.0
InChI%3D1S%2FC14H10Cl4%2Fc15-11-5-1-9%282-6-11%2913%2814%2817%2918%2910-3-7-12%2816%298-4-10%2Fh1-8%2C13-14H,12.0,12.0,6.0,4.0,4.31829977035522,3.0,87.8585968017578,18.6477146148682,2.55999994277954,3.40300011634827,0.0,19.0,28.0
InChI%3D1S%2FC14H9Cl5O%2Fc15-11-5-1-9%282-6-11%2913%2820%2C14%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C20H,12.0,12.0,6.0,6.0,2.43160009384155,3.0,37.0377998352051,5.91267871856689,2.33999991416931,6.1100001335144,1.0,21.0,29.0
InChI%3D1S%2FC2H5N5O3%2Fc1-6%285-8%292%283%294-7%289%2910%2Fh1H3%2C%28H2%2C3%2C4%29,0.0,0.0,9.0,10.0,-0.0163000002503395,4.0,25.9393005371094,0.00026569000328891,0.800000011920929,0.47299998998642,2.0,9.0,15.0
InChI%3D1S%2FC7H15Cl2N2O2P%2Fc8-2-4-10-14%2812%2911%286-3-9%295-1-7-13-14%2Fh1-7H2%2C%28H%2C10%2C12%29,0.0,0.0,5.0,4.0,0.0841000005602837,5.0,55.7243003845215,0.0070728100836277,1.46000003814697,0.834999978542328,1.0,14.0,29.0
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%2C1H3,15.0,13.0,14.0,2.0,0.691200017929077,1.0,74.5651016235352,0.477757453918457,2.77999997138977,2.05100011825562,1.0,18.0,30.0
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%29,5.0,5.0,8.0,7.0,-0.354999989271164,5.0,33.9707984924316,0.126025006175041,1.01999998092651,-1.21200001239777,3.0,16.0,27.0
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%29,6.0,6.0,10.0,4.0,0.321799993515015,1.0,45.7897987365723,0.103555239737034,2.00999999046326,0.61599999666214,3.0,11.0,20.0
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%2C1-4H3,6.0,6.0,7.0,11.0,2.4867000579834,9.0,90.7237014770508,6.18367671966553,2.45000004768372,2.3840000629425,0.0,21.0,44.0
InChI%3D1S%2FC9H7N7O2S%2Fc1-15-4-14-7%2816%2817%2918%299%2815%2919-8-5-6%2811-2-10-5%2912-3-13-8%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C12%2C13%29,6.0,6.0,8.0,2.0,0.659500002861023,3.0,19.2740001678467,0.434940248727798,1.35000002384186,0.365000009536743,0.0,21.0,32.0
InChI%3D1S%2FC8H8%2Fc1-2-8-6-4-3-5-7-8%2Fh2-7H%2C1H2,6.0,6.0,8.0,2.0,1.91530001163483,1.0,39.8829002380371,3.66837406158447,2.33999991416931,2.93700003623962,0.0,8.0,16.0
InChI%3D1S%2FCH3NO2%2Fc1-2%283%294%2Fh1H3,0.0,0.0,2.0,4.0,-0.280600011348724,0.0,8.30230045318604,0.0787363573908806,1.24000000953674,0.34799998998642,0.0,3.0,7.0
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%29,10.0,10.0,16.0,3.0,0.239399999380112,3.0,22.1271991729736,0.0573123581707478,1.46000003814697,1.51699995994568,1.0,17.0,21.0
InChI%3D1S%2FC2H8N2%2Fc1-2-4-3%2Fh4H%2C2-3H2%2C1H3,0.0,0.0,2.0,4.0,-0.6632000207901,1.0,18.5746002197266,0.439834237098694,1.46000003814697,-0.367000013589859,2.0,3.0,12.0
InChI%3D1S%2FC6H7ClN2%2Fc7-5-2-1-4%288%293-6%285%299%2Fh1-3H%2C8-9H2,6.0,6.0,8.0,0.0,-0.621299982070923,0.0,42.771598815918,0.386013686656952,1.78999996185303,0.409000009298325,2.0,9.0,16.0
InChI%3D1S%2FC6H11Cl3O3%2Fc7-3-10-1-6%2812-5-9%292-11-4-8%2Fh6H%2C1-5H2,0.0,0.0,0.0,12.0,1.12810003757477,8.0,48.6879005432129,1.27260959148407,1.46000003814697,0.898000001907349,0.0,11.0,23.0
InChI%3D1S%2FC8H10N2O%2Fc1-6-2-4-7%285-3-6%2910-8%289%2911%2Fh2-5H%2C1H3%2C%28H3%2C9%2C10%2C11%29,6.0,6.0,10.0,4.0,1.32850003242493,2.0,45.5429992675781,1.76491224765778,2.00999999046326,1.51600003242493,3.0,11.0,21.0
InChI%3D1S%2FC13H13N3O%2Fc1-17-13-9-11%287-8-12%2813%2914%2916-15-10-5-3-2-4-6-10%2Fh2-9H%2C14H2%2C1H3,12.0,12.0,16.0,2.0,0.217899993062019,3.0,70.7602996826172,0.0474804118275642,2.45000004768372,2.33699989318848,1.0,18.0,30.0
InChI%3D1S%2FC2H4Cl2O%2Fc3-1-5-2-4%2Fh1-2H2,0.0,0.0,0.0,5.0,0.924300014972687,2.0,22.2912998199463,0.854330480098724,1.35000002384186,0.833999991416931,0.0,4.0,9.0
InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-1-3-8-4-2-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29,6.0,6.0,10.0,4.0,-1.70729994773865,2.0,38.8917999267578,2.91487336158752,1.67999994754791,-1.71599996089935,2.0,10.0,17.0
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%2C1-3H3,18.0,18.0,21.0,6.0,3.6470000743866,8.0,132.098602294922,13.3006086349487,4.09999990463257,6.34200000762939,1.0,30.0,57.0
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,0.0,0.0,0.0,8.0,3.37639999389648,1.0,41.8779983520508,11.4000768661499,1.01999998092651,3.88199996948242,1.0,7.0,8.0
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%29,6.0,6.0,9.0,2.0,-0.47189998626709,3.0,19.2633991241455,0.222689613699913,1.67999994754791,2.20499992370605,3.0,17.0,28.0
InChI%3D1S%2FC12H14N4%2Fc13-9-3-1-7%285-11%289%2915%298-2-4-10%2814%2912%2816%296-8%2Fh1-6H%2C13-16H2,12.0,12.0,16.0,0.0,-2.37120008468628,1.0,73.6706008911133,5.62258958816528,2.33999991416931,-0.582000017166138,4.0,17.0,30.0
InChI%3D1S%2FCHBrCl2%2Fc2-1%283%294%2Fh1H,0.0,0.0,0.0,3.0,1.82099997997284,0.0,24.172700881958,3.31604099273682,1.24000000953674,2.41199994087219,0.0,3.0,5.0
InChI%3D1S%2FC7H7NO3%2Fc1-11-7-5-3-2-4-6%287%298%289%2910%2Fh2-5H%2C1H3,6.0,6.0,10.0,2.0,-0.0983999967575073,2.0,10.2016000747681,0.00968256033957005,1.78999996185303,2.23900008201599,0.0,11.0,18.0
InChI%3D1S%2FC7H9NO%2Fc1-9-7-5-3-2-4-6%287%298%2Fh2-5H%2C8H2%2C1H3,6.0,6.0,8.0,2.0,-0.291900008916855,1.0,41.1491012573242,0.0852056071162224,2.00999999046326,0.564000010490417,1.0,9.0,18.0
InChI%3D1S%2FC7H8N2O2%2Fc8-9-6-3-1-5%282-4-6%297%2810%2911%2Fh1-4%2C9H%2C8H2%2C%28H%2C10%2C11%29,6.0,6.0,11.0,2.0,-0.494700014591217,2.0,44.8667984008789,0.244728088378906,1.78999996185303,-0.572000026702881,3.0,11.0,19.0
InChI%3D1S%2FCCl4%2Fc2-1%283%2C4%295,0.0,0.0,0.0,4.0,3.58459997177124,0.0,26.8490009307861,12.8493576049805,1.12999999523163,2.86400008201599,0.0,4.0,5.0
InChI%3D1S%2FC4H8O2%2Fc1-2-6-4-3-5-1%2Fh1-4H2,0.0,0.0,0.0,0.0,-0.261799991130829,0.0,22.0869998931885,0.0685392394661903,1.67999994754791,-0.379999995231628,0.0,6.0,14.0
InChI%3D1S%2FC18H22O5%2Fc1-12-6-5-8-13%2819%297-3-2-4-9-15-16%2818%2822%2923-12%2910-14%2820%2911-17%2815%2921%2Fh4%2C9-12%2C20-21H%2C2-3%2C5-8H2%2C1H3,6.0,6.0,13.0,0.0,-0.538999974727631,0.0,85.2645034790039,0.290520995855331,2.89000010490417,2.46499991416931,2.0,24.0,45.0
InChI%3D1S%2FC12H10Cl2N2%2Fc13-9-5-7%281-3-11%289%2915%298-2-4-12%2816%2910%2814%296-8%2Fh1-6H%2C15-16H2,12.0,12.0,14.0,0.0,0.759599983692169,1.0,76.0034027099609,0.576992154121399,2.33999991416931,1.55599999427795,2.0,17.0,26.0
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%29,0.0,0.0,3.0,0.0,-0.810400009155273,0.0,52.7211990356445,0.656748175621033,2.23000001907349,1.15900003910065,3.0,17.0,35.0
InChI%3D1S%2FC22H14%2Fc1-3-7-19-15%285-1%299-11-17-14-22-18%2813-21%2817%2919%2912-10-16-6-2-4-8-20%2816%2922%2Fh1-14H,26.0,22.0,22.0,0.0,3.58100008964539,0.0,103.743797302246,12.8235607147217,3.88000011444092,6.65000009536743,0.0,26.0,36.0
InChI%3D1S%2FCHBr2Cl%2Fc2-1%283%294%2Fh1H,0.0,0.0,0.0,3.0,2.02480006217957,0.0,26.9811992645264,4.09981489181519,1.24000000953674,2.75,0.0,3.0,5.0
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,12.0,12.0,18.0,0.0,0.370599985122681,0.0,70.934196472168,0.137344360351562,2.55999994277954,0.206000000238419,2.0,20.0,26.0
InChI%3D1S%2FC2H4N2O2%2Fc5-1-3-4-2-6%2Fh1-2H%2C%28H%2C3%2C5%29%28H%2C4%2C6%29,0.0,0.0,6.0,6.0,-0.300999999046326,1.0,19.657600402832,0.090600997209549,1.24000000953674,0.667999982833862,3.0,5.0,10.0
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%2C1-4H3,12.0,12.0,16.0,3.0,1.85199999809265,4.0,93.3126983642578,3.42990398406982,3.0,2.47399997711182,1.0,21.0,41.0
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%29,6.0,6.0,10.0,4.0,0.636699974536896,3.0,55.1216011047363,0.40538689494133,2.23000001907349,1.36000001430511,1.0,13.0,26.0
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%29,6.0,6.0,7.0,0.0,-0.456800013780594,0.0,61.1085014343262,0.208666235208511,2.45000004768372,0.953999996185303,3.0,17.0,30.0
InChI%3D1S%2FC4H10N2O%2Fc1-2-3-6%285%294-7%2Fh4H%2C2-3%2C5H2%2C1H3,0.0,0.0,6.0,10.0,0.972699999809265,3.0,40.3573989868164,0.946145296096802,1.46000003814697,1.63300001621246,1.0,9.0,20.0
InChI%3D1S%2FC8H6N4O4%2Fc9-8-10-6%2811-16-8%293-1-5-2-4-7%2815-5%2912%2813%2914%2Fh1-4H%2C%28H2%2C9%2C10%2C11%29,5.0,5.0,10.0,2.0,0.0531000010669231,3.0,31.3509006500244,0.00281961006112397,1.46000003814697,2.11700010299683,3.0,17.0,24.0
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,6.0,6.0,7.0,0.0,0.575399994850159,0.0,39.2218017578125,0.33108514547348,1.89999997615814,0.901000022888184,1.0,8.0,14.0
InChI%3D1S%2FC12H11ClN2O5S%2Fc13-9-5-10%2815-6-7-2-1-3-20-7%298%2812%2816%2917%294-11%289%2921%2814%2C18%2919%2Fh1-5%2C15H%2C6H2%2C%28H%2C16%2C17%29%28H2%2C14%2C18%2C19%29,11.0,11.0,14.0,3.0,-0.994899988174438,5.0,33.6077995300293,0.989826023578644,1.78999996185303,0.88400000333786,3.0,22.0,32.0
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%29,6.0,6.0,18.0,4.0,0.81690001487732,3.0,83.5300979614258,0.667325615882874,2.55999994277954,1.78699994087219,2.0,21.0,35.0
InChI%3D1S%2FC8H10N2O%2Fc1-7%2811%299-10-8-5-3-2-4-6-8%2Fh2-6%2C10H%2C1H3%2C%28H%2C9%2C11%29,6.0,6.0,10.0,5.0,0.46450001001358,2.0,47.4842987060547,0.215760245919228,2.00999999046326,1.87300002574921,2.0,11.0,21.0
InChI%3D1S%2FC4H6Cl2%2Fc5-3-1-2-4-6%2Fh1-2H%2C3-4H2,0.0,0.0,2.0,6.0,1.97959995269775,2.0,30.9741992950439,3.91881608963013,1.67999994754791,1.94000005722046,0.0,5.0,12.0
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,6.0,6.0,9.0,3.0,-0.0465999990701675,1.0,2.88579988479614,0.00217155995778739,1.78999996185303,2.89400005340576,0.0,9.0,14.0
InChI%3D1S%2FC6H3Cl3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,6.0,6.0,7.0,0.0,1.94640004634857,0.0,46.7098999023438,3.78847289085388,1.67999994754791,2.46600008010864,1.0,10.0,13.0
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,0.0,0.0,2.0,6.0,2.42880010604858,0.0,30.9454002380371,5.89906930923462,1.24000000953674,3.02600002288818,0.0,5.0,6.0
InChI%3D1S%2FC4H10O%2Fc1-4%282%2C3%295%2Fh5H%2C1-3H3,0.0,0.0,0.0,5.0,0.573300004005432,0.0,22.0650997161865,0.328672885894775,1.78999996185303,0.800999999046326,1.0,4.0,15.0
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%29,6.0,6.0,7.0,7.0,1.99810004234314,4.0,73.4293975830078,3.99240350723267,2.33999991416931,2.25799989700317,1.0,19.0,32.0
InChI%3D1S%2FC3H4O2%2Fc4-3-1-2-5-3%2Fh1-2H2,0.0,0.0,3.0,0.0,-0.0447000004351139,0.0,15.5530996322632,0.00199808995239437,1.57000005245209,-0.138999998569489,0.0,5.0,9.0
InChI%3D1S%2FC2H4N4%2Fc3-2-4-1-5-6-2%2Fh1H%2C%28H3%2C3%2C4%2C5%2C6%29,0.0,0.0,5.0,0.0,-0.884400010108948,0.0,18.7336006164551,0.782163381576538,1.24000000953674,0.347000002861023,4.0,6.0,12.0
InChI%3D1S%2FC10H17Cl2NOS%2Fc1-7%282%2913%288%283%294%2910%2814%2915-6-9%2812%295-11%2Fh5%2C7-8H%2C6H2%2C1-4H3,0.0,0.0,3.0,15.0,1.72119998931885,6.0,70.0038986206055,2.96252942085266,2.00999999046326,3.44000005722046,0.0,14.0,32.0
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%29,6.0,6.0,9.0,5.0,2.52049994468689,4.0,87.6377029418945,6.3529200553894,2.23000001907349,1.17999994754791,3.0,22.0,39.0
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%2C1-3H3,12.0,12.0,6.0,8.0,1.09650003910065,6.0,89.5445022583008,1.20231223106384,3.0,0.94599997997284,0.0,21.0,42.0
InChI%3D1S%2FC6H6ClN%2Fc7-4-6-2-1-3-8-5-6%2Fh1-3%2C5H%2C4H2,6.0,6.0,6.0,1.0,0.278899997472763,1.0,36.4939994812012,0.0777852088212967,1.89999997615814,0.377000004053116,0.0,8.0,14.0
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%29,0.0,0.0,12.0,6.0,0.59799998998642,4.0,31.4605007171631,0.357603996992111,1.24000000953674,1.09899997711182,3.0,14.0,23.0
InChI%3D1S%2FC6H6Cl2N2%2Fc7-4-1-3%289%292-5%288%296%284%2910%2Fh1-2H%2C9-10H2,6.0,6.0,8.0,0.0,-0.252600014209747,0.0,47.4878005981445,0.0638067573308945,1.67999994754791,0.986000001430511,2.0,10.0,16.0
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%2C17H2,12.0,12.0,10.0,6.0,1.60720002651215,5.0,84.3436965942383,2.58309173583984,2.89000010490417,3.10800004005432,1.0,20.0,34.0
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%2C4-5H2,6.0,6.0,9.0,3.0,0.0781999975442886,1.0,12.6166000366211,0.00611524004489183,2.45000004768372,4.86499977111816,1.0,17.0,26.0
InChI%3D1S%2FC6H11N2O4PS3%2Fc1-10-5-7-8%286%289%2916-5%294-15-13%2814%2C11-2%2912-3%2Fh4H2%2C1-3H3,6.0,6.0,10.0,4.0,0.655900001525879,2.0,43.3296012878418,0.430204808712006,2.00999999046326,1.22899997234344,1.0,11.0,19.0
InChI%3D1S%2FC12H12N2S%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C13-14H2,12.0,12.0,7.0,0.0,0.110399998724461,2.0,75.4600982666016,0.0121881598606706,2.45000004768372,0.731000006198883,2.0,16.0,27.0
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3,0.0,0.0,5.0,17.0,-1.63800001144409,12.0,60.3110008239746,2.68304395675659,2.23000001907349,3.35999989509583,0.0,16.0,44.0
InChI%3D1S%2FC9H8O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-4H%2C5-6H2,6.0,6.0,9.0,0.0,0.767099976539612,0.0,44.7696990966797,0.588442385196686,2.23000001907349,0.76800000667572,0.0,12.0,19.0
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%29,6.0,6.0,13.0,5.0,0.202900007367134,2.0,50.4095001220703,0.0411684103310108,2.00999999046326,0.888000011444092,3.0,13.0,21.0
InChI%3D1S%2FC3H6N2S%2Fc6-3-4-1-2-5-3%2Fh1-2H2%2C%28H2%2C4%2C5%2C6%29,0.0,0.0,3.0,0.0,0.351799994707108,0.0,26.6289005279541,0.123763240873814,1.46000003814697,0.122000001370907,1.0,6.0,12.0
InChI%3D1S%2FC4H4N2O2%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,6.0,6.0,8.0,0.0,-1.00600004196167,0.0,26.2705993652344,1.01203596591949,1.46000003814697,-0.90200001001358,2.0,8.0,12.0
InChI%3D1S%2FC9H13N%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5H%2C10H2%2C1-3H3,6.0,6.0,7.0,0.0,1.54589998722076,0.0,47.3516006469727,2.38980674743652,2.33999991416931,1.28900003433228,1.0,10.0,23.0
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%2C1-2H3,12.0,12.0,17.0,2.0,0.689499974250793,4.0,86.6268005371094,0.475410252809525,2.89000010490417,2.06800007820129,1.0,20.0,36.0
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%2C1H3,12.0,12.0,17.0,0.0,0.746500015258789,0.0,75.5550003051758,0.557262241840363,2.77999997138977,0.479000002145767,1.0,20.0,29.0
InChI%3D1S%2FC2HCl3O2%2Fc3-2%284%2C5%291%286%297%2Fh%28H%2C6%2C7%29,0.0,0.0,3.0,7.0,1.44840002059937,1.0,28.1583003997803,2.09786248207092,1.12999999523163,1.02999997138977,1.0,6.0,8.0
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%2C21-22H2,12.0,12.0,22.0,0.0,0.715399980545044,2.0,101.539497375488,0.511797189712524,3.22000002861023,1.83599996566772,3.0,24.0,39.0
InChI%3D1S%2FC20H26O2%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%2C16-18%2C22H%2C4-12H2%2C2H3,0.0,0.0,2.0,2.0,1.00919997692108,0.0,85.42919921875,1.01848459243774,3.44000005722046,2.48000001907349,2.0,25.0,48.0
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%29,30.0,30.0,52.0,3.0,-1.88810002803802,9.0,203.248397827148,3.56492161750793,3.22000002861023,1.7610000371933,6.0,57.0,79.0
InChI%3D1S%2FC3H10N2%2Fc1-2-3-5-4%2Fh5H%2C2-4H2%2C1H3,0.0,0.0,2.0,5.0,-1.24100005626678,2.0,22.1065998077393,1.54008102416992,1.57000005245209,-0.00899999961256981,2.0,4.0,15.0
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%29,12.0,12.0,28.0,4.0,-1.24890005588531,6.0,108.446899414062,1.55975115299225,2.33999991416931,0.386000007390976,3.0,30.0,42.0
InChI%3D1S%2FC10H10O3%2Fc1-2-8%2811%297-3-4-9-10%285-7%2913-6-12-9%2Fh2-5%2C8%2C11H%2C1%2C6H2,6.0,6.0,8.0,4.0,0.208299994468689,2.0,51.972900390625,0.0433888882398605,2.23000001907349,0.847000002861023,1.0,14.0,23.0
InChI%3D1S%2FC10H12Cl2O2%2Fc11-7-13-5-9-1-2-10%284-3-9%296-14-8-12%2Fh1-4H%2C5-8H2,6.0,6.0,6.0,4.0,1.80560004711151,6.0,61.850399017334,3.26019144058228,2.11999988555908,0.955999970436096,0.0,14.0,26.0
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh3H%2C1-2H3,0.0,0.0,3.0,50.0,-4.60459995269775,31.0,161.808502197266,21.2023410797119,3.44000005722046,1.73099994659424,0.0,49.0,109.0
InChI%3D1S%2FC2H4Br2%2Fc3-1-2-4%2Fh1-2H2,0.0,0.0,0.0,4.0,1.80079996585846,1.0,26.6226005554199,3.24288058280945,1.46000003814697,2.41599988937378,0.0,3.0,8.0
InChI%3D1S%2FC5H14N2%2Fc1-2-3-4-5-7-6%2Fh7H%2C2-6H2%2C1H3,0.0,0.0,2.0,7.0,-1.81700003147125,4.0,27.9298000335693,3.30148911476135,1.78999996185303,1.12899994850159,2.0,6.0,21.0
InChI%3D1S%2FC12H15N3O6%2Fc1-6-9%2813%2816%2917%297%282%2911%2815%2820%2921%298%2812%283%2C4%295%2910%286%2914%2818%2919%2Fh1-5H3,6.0,6.0,15.0,3.0,2.70040011405945,4.0,38.7883987426758,7.29216003417969,1.78999996185303,4.47599983215332,5.0,21.0,36.0
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,6.0,6.0,6.0,0.0,1.40339994430542,0.0,30.9557991027832,1.96953153610229,2.11999988555908,2.08200001716614,0.0,6.0,12.0
InChI%3D1S%2FC6H6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh1-6H,0.0,0.0,0.0,0.0,4.16340017318726,0.0,54.0810012817383,17.3339004516602,1.46000003814697,3.83400011062622,1.0,12.0,18.0
InChI%3D1S%2FC7H10N2%2Fc1-5-2-3-6%288%294-7%285%299%2Fh2-4H%2C8-9H2%2C1H3,6.0,6.0,8.0,0.0,-0.543600022792816,0.0,42.3373985290527,0.295500963926315,2.00999999046326,0.0130000002682209,2.0,9.0,19.0
InChI%3D1S%2FC18H28O3S%2Fc1-3-4-5-6-7-8-11-22%2819%2915%282%2912-16-9-10-17-18%2813-16%2921-14-20-17%2Fh9-10%2C13%2C15H%2C3-8%2C11-12%2C14H2%2C1-2H3,6.0,6.0,8.0,13.0,-2.11150002479553,10.0,87.2708969116211,4.4584321975708,3.0,4.09899997711182,0.0,23.0,50.0
InChI%3D1S%2FC12H11N%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9H%2C13H2,12.0,12.0,13.0,0.0,1.21889996528625,1.0,63.0211982727051,1.48571717739105,2.67000007629395,2.16000008583069,1.0,14.0,24.0
InChI%3D1S%2FC24H31Cl2N5O7%2Fc1-2-14-21%2835%2930-16%2810-32%2922%2836%2929-15%2812-6-4-3-5-7-12%298-18%2834%2927-17%2811-33%2924%2838%2931-9-13%2825%2919%2826%2920%2831%2923%2837%2928-14%2Fh3-7%2C13-17%2C19-20%2C32-33H%2C2%2C8-11H2%2C1H3%2C%28H%2C27%2C34%29%28H%2C28%2C37%29%28H%2C29%2C36%29%28H%2C30%2C35%29,6.0,6.0,6.0,2.0,-0.244200006127357,4.0,138.330795288086,0.0596336387097836,2.55999994277954,-0.224000006914139,6.0,40.0,69.0
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%29,5.0,5.0,8.0,2.0,0.392899990081787,2.0,29.1082000732422,0.154370412230492,1.46000003814697,1.60199999809265,2.0,15.0,21.0
InChI%3D1S%2FC27H44O6%2Fc1-15%2820%2828%298-9-24%282%2C3%2932%2916-7-11-27%2833%2918-12-21%2829%2919-13-22%2830%2923%2831%2914-25%2819%2C4%2917%2818%296-10-26%2816%2C27%295%2Fh12%2C15-17%2C19-20%2C22-23%2C28%2C30-33H%2C6-11%2C13-14H2%2C1-5H3,0.0,0.0,4.0,10.0,-0.759100019931793,5.0,124.11319732666,0.57623279094696,3.76999998092651,1.95899999141693,5.0,36.0,77.0
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%2C1-3H3,12.0,12.0,13.0,8.0,2.78870010375977,5.0,90.8908004760742,7.77684783935547,2.89000010490417,2.96399998664856,0.0,22.0,38.0
InChI%3D1S%2FC4H6%2Fc1-3-4-2%2Fh3-4H%2C1-2H2,0.0,0.0,4.0,4.0,1.41499996185303,1.0,20.2943992614746,2.00222492218018,1.89999997615814,1.9559999704361,0.0,3.0,10.0
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%2C1H3,12.0,12.0,19.0,2.0,0.0678000003099442,1.0,19.0799007415771,0.00459684012457728,2.55999994277954,3.65100002288818,0.0,22.0,29.0
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,11.0,10.0,10.0,0.0,1.94780004024506,0.0,49.1528015136719,3.7939248085022,2.55999994277954,3.22399997711182,0.0,11.0,18.0
InChI%3D1S%2FC20H28O6%2Fc1-9-5-13-18%2824%2C15%289%2922%297-11%288-21%296-12-14-17%283%2C4%2920%2814%2C26%2916%2823%2910%282%2919%2812%2C13%2925%2Fh5-6%2C10%2C12-14%2C16%2C21%2C23-26H%2C7-8H2%2C1-4H3,0.0,0.0,4.0,1.0,-1.10309994220734,1.0,94.7273025512695,1.21682965755463,3.0,-1.05200004577637,5.0,29.0,54.0
InChI%3D1S%2FC8H20N2%2Fc1-3-5-7-10%289%298-6-4-2%2Fh3-9H2%2C1-2H3,0.0,0.0,2.0,10.0,-1.6085000038147,6.0,41.0503005981445,2.58727216720581,2.11999988555908,1.31500005722046,1.0,9.0,30.0
InChI%3D1S%2FC2H6N2O%2Fc1-4%283%292-5%2Fh2H%2C3H2%2C1H3,0.0,0.0,4.0,5.0,-1.19690001010895,1.0,19.7747001647949,1.43256962299347,1.35000002384186,-1.62999999523163,1.0,4.0,11.0
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%29,6.0,6.0,8.0,2.0,-0.553399980068207,2.0,57.1469993591309,0.306251555681229,2.11999988555908,1.38499999046326,3.0,17.0,31.0
InChI%3D1S%2FC12H11Cl2NO%2Fc1-4-12%282%2C3%2915-11%2816%298-5-9%2813%297-10%2814%296-8%2Fh1%2C5-7H%2C2-3H3%2C%28H%2C15%2C16%29,6.0,6.0,9.0,8.0,3.22259998321533,2.0,69.1766967773438,10.3851509094238,2.33999991416931,2.78099989891052,1.0,16.0,27.0
InChI%3D1S%2FC10H12N2O4%2Fc1-3-16-10-5-4-8%2811-7%282%2913%296-9%2810%2912%2814%2915%2Fh4-6H%2C3H2%2C1-2H3%2C%28H%2C11%2C13%29,6.0,6.0,13.0,4.0,0.0803000032901764,4.0,28.3962001800537,0.00644809007644653,1.89999997615814,2.49499988555908,3.0,16.0,28.0
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%29,6.0,6.0,7.0,7.0,1.87860000133514,9.0,81.5868988037109,3.52913784980774,2.45000004768372,3.21099996566772,1.0,19.0,38.0
InChI%3D1S%2FC7H7Cl%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6H2,6.0,6.0,6.0,1.0,1.96370005607605,1.0,40.0634994506836,3.85611772537231,2.11999988555908,1.86699998378754,3.0,8.0,15.0
InChI%3D1S%2FC12H12N4%2Fc1-7-6-9-8%284-3-5-14-9%2910-11%287%2916%282%2912%2813%2915-10%2Fh3-6H%2C1-2H3%2C%28H2%2C13%2C15%29,11.0,10.0,14.0,0.0,0.273499995470047,0.0,66.6917037963867,0.0748022496700287,2.33999991416931,1.92400002479553,2.0,18.0,28.0
InChI%3D1S%2FC43H58N4O12%2Fc1-21-12-11-13-22%282%2942%2855%2945-33-28%2820-44-47-17-15-46%289%2916-18-47%2937%2852%2930-31%2838%2833%2953%2936%2851%2926%286%2940-32%2830%2941%2854%2943%288%2C59-40%2957-19-14-29%2856-10%2923%283%2939%2858-27%287%2948%2925%285%2935%2850%2924%284%2934%2821%2949%2Fh11-14%2C19-21%2C23-25%2C29%2C34-35%2C39%2C44%2C49-51%2C53H%2C15-18H2%2C1-10H3%2C%28H%2C45%2C55%29,6.0,6.0,26.0,4.0,-1.02199995517731,5.0,222.723495483398,1.04448401927948,4.42999982833862,2.26399993896484,6.0,63.0,117.0
InChI%3D1S%2FC2H2Cl2O2%2Fc3-1%284%292%285%296%2Fh1H%2C%28H%2C5%2C6%29,0.0,0.0,3.0,6.0,0.965200006961823,1.0,22.619499206543,0.931611061096191,1.24000000953674,0.570999979972839,0.0,5.0,8.0
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%2C16-17H2,12.0,12.0,7.0,0.0,1.21580004692078,2.0,80.6044006347656,1.47816967964172,2.45000004768372,1.65600001811981,2.0,18.0,29.0
InChI%3D1S%2FC2H8N2%2Fc1-4%282%293%2Fh3H2%2C1-2H3,0.0,0.0,2.0,4.0,-0.377700001001358,0.0,19.5755004882812,0.142657294869423,1.46000003814697,-1.38499999046326,1.0,3.0,12.0
InChI%3D1S%2FC8H20N2%2Fc1-3-5-7-9-10-8-6-4-2%2Fh9-10H%2C3-8H2%2C1-2H3,0.0,0.0,2.0,10.0,-1.86699998378754,7.0,39.4682006835938,3.48568892478943,2.11999988555908,3.28399991989136,2.0,9.0,30.0
InChI%3D1S%2FC12H11N%2Fc13-12-8-6-11%287-9-12%2910-4-2-1-3-5-10%2Fh1-9H%2C13H2,12.0,12.0,13.0,0.0,1.21889996528625,1.0,63.0211982727051,1.48571717739105,2.67000007629395,2.37100005149841,1.0,14.0,24.0
InChI%3D1S%2FC2H3Cl3%2Fc3-1-2%284%295%2Fh2H%2C1H2,0.0,0.0,0.0,5.0,1.95550000667572,1.0,25.7096996307373,3.8239803314209,1.35000002384186,2.15799999237061,0.0,4.0,8.0
InChI%3D1S%2FC6H12N2O%2Fc9-7-8-5-3-1-2-4-6-8%2Fh1-6H2,0.0,0.0,3.0,2.0,-1.24259996414185,1.0,29.7278995513916,1.54405474662781,1.78999996185303,1.17599999904633,0.0,9.0,21.0
InChI%3D1S%2FC18H27NO3%2Fc1-14%282%298-6-4-5-7-9-18%2821%2919-13-15-10-11-16%2820%2917%2812-15%2922-3%2Fh6%2C8%2C10-12%2C14%2C20H%2C4-5%2C7%2C9%2C13H2%2C1-3H3%2C%28H%2C19%2C21%29,6.0,6.0,8.0,13.0,0.60699999332428,9.0,90.397102355957,0.368449002504349,3.0,4.05499982833862,2.0,22.0,49.0
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%2C1-4H3,12.0,12.0,7.0,3.0,2.41380000114441,4.0,91.3106002807617,5.82643032073975,3.10999989509583,2.9760000705719,2.0,20.0,41.0
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%29,24.0,24.0,58.0,3.0,-4.57040023803711,9.0,217.592407226562,20.8885555267334,2.11999988555908,-2.71399998664856,10.0,63.0,82.0
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2,0.0,0.0,2.0,5.0,1.51820003986359,1.0,25.2765998840332,2.30493116378784,1.57000005245209,2.09899997711182,0.0,4.0,9.0
InChI%3D1S%2FC2H2Cl4%2Fc3-1-2%284%2C5%296%2Fh1H2,0.0,0.0,0.0,6.0,2.44409990310669,1.0,31.2667999267578,5.97362470626831,1.24000000953674,2.81100010871887,0.0,5.0,8.0
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%29,0.0,0.0,7.0,9.0,-0.522899985313416,9.0,64.0654983520508,0.273424416780472,1.57000005245209,1.34500002861023,5.0,21.0,40.0
InChI%3D1S%2FC7H9N%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5H%2C8H2%2C1H3,6.0,6.0,7.0,0.0,0.65310001373291,0.0,38.7876014709473,0.426539599895477,2.11999988555908,0.926999986171722,1.0,8.0,17.0
InChI%3D1S%2FC3H5NO2%2Fc1-2-6-3%284%295%2Fh2H%2C1H2%2C%28H2%2C4%2C5%29,0.0,0.0,6.0,6.0,0.655700027942657,2.0,19.2166004180908,0.429942488670349,1.46000003814697,0.949999988079071,2.0,5.0,11.0
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,12.0,12.0,16.0,3.0,1.2878999710083,3.0,15.7361001968384,1.65868639945984,2.11999988555908,4.76300001144409,0.0,19.0,25.0
InChI%3D1S%2FC12H11N7%2Fc13-9-7%286-4-2-1-3-5-6%2916-8-10%2814%2918-12%2815%2919-11%288%2917-9%2Fh1-5H%2C%28H6%2C13%2C14%2C15%2C17%2C18%2C19%29,6.0,6.0,6.0,0.0,-0.851700007915497,1.0,70.2317962646484,0.725392878055573,2.00999999046326,-0.119999997317791,7.0,21.0,36.0
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,0.0,0.0,0.0,2.0,1.07290005683899,0.0,16.4382991790771,1.15111446380615,1.35000002384186,1.51900005340576,0.0,2.0,5.0
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3,0.0,0.0,0.0,6.0,0.981800019741058,1.0,26.8162994384766,0.963931262493134,1.89999997615814,1.32000005245209,0.0,5.0,18.0
InChI%3D1S%2FC6H14O2%2Fc1-2-3-5-8-6-4-7%2Fh7H%2C2-6H2%2C1H3,0.0,0.0,0.0,8.0,-1.10430002212524,5.0,30.042200088501,1.21947848796844,1.89999997615814,0.66100001335144,1.0,7.0,22.0
InChI%3D1S%2FC8H16N2O%2Fc1-3-4-5-6-7-9-10%282%298-11%2Fh7-8H%2C3-6H2%2C1-2H3,0.0,0.0,5.0,11.0,-1.41349995136261,6.0,41.2243003845215,1.99798226356506,2.00999999046326,2.51099991798401,0.0,10.0,27.0
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%2C1-2H3,6.0,6.0,13.0,5.0,0.404100000858307,4.0,66.2997970581055,0.163296803832054,2.11999988555908,1.4099999666214,2.0,16.0,31.0
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%29,0.0,0.0,3.0,0.0,-1.77540004253387,0.0,45.557300567627,3.15204524993896,2.11999988555908,0.861999988555908,2.0,16.0,32.0
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%2C3-4H2,0.0,0.0,5.0,5.0,3.23449993133545,2.0,68.1818008422852,10.4619903564453,1.67999994754791,2.26799988746643,0.0,17.0,24.0
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%29,10.0,10.0,16.0,7.0,1.40639996528625,4.0,27.209400177002,1.97796094417572,1.24000000953674,2.45199990272522,1.0,21.0,24.0
InChI%3D1S%2FC3H4O2%2Fc4-2-1-3-5%2Fh1-4H,0.0,0.0,5.0,5.0,-0.468600004911423,1.0,18.0569000244141,0.219585955142975,1.57000005245209,-0.0439999997615814,1.0,4.0,9.0
InChI%3D1S%2FC12H8Cl6%2Fc13-8-9%2814%2911%2816%297-5-2-1-4%283-5%296%287%2910%288%2C15%2912%2811%2C17%2918%2Fh1-2%2C4-7H%2C3H2,0.0,0.0,2.0,0.0,3.06080007553101,0.0,78.0286026000977,9.36849689483643,2.11999988555908,4.1560001373291,0.0,21.0,26.0
InChI%3D1S%2FC10H9N%2Fc11-10-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7H%2C11H2,11.0,10.0,11.0,0.0,0.75110000371933,0.0,52.7025985717773,0.564151227474213,2.45000004768372,1.46599996089935,1.0,12.0,20.0
InChI%3D1S%2FC6H6O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4%2C7-8H,6.0,6.0,8.0,0.0,0.277200013399124,0.0,34.1668014526367,0.076839841902256,1.89999997615814,0.653999984264374,2.0,8.0,14.0
InChI%3D1S%2FC16H12N2O2%2Fc19-15-13-7-3-1-5-11%2813%299-17-16%2820%2914-8-4-2-6-12%2814%2910-18%2815%2917%2Fh1-8H%2C9-10H2,12.0,12.0,18.0,0.0,0.777999997138977,0.0,81.3386001586914,0.605283975601196,2.77999997138977,0.363999992609024,0.0,23.0,32.0
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%29,0.0,0.0,3.0,50.0,-4.60459995269775,31.0,161.808502197266,21.2023410797119,3.44000005722046,1.73099994659424,0.0,49.0,109.0
InChI%3D1S%2FC8H9N3O2%2Fc1-6%2812%2910-11-8%2813%297-2-4-9-5-3-7%2Fh2-5H%2C1H3%2C%28H%2C10%2C12%29%28H%2C11%2C13%29,6.0,6.0,12.0,7.0,-1.18350005149841,3.0,47.5084991455078,1.40067219734192,1.78999996185303,0.0509999990463257,2.0,13.0,22.0
InChI%3D1S%2FC6H13NO2S%2Fc1-2-10-4-3-5%287%296%288%299%2Fh5H%2C2-4%2C7H2%2C1H3%2C%28H%2C8%2C9%29,0.0,0.0,3.0,10.0,-0.479900002479553,5.0,40.1720008850098,0.230304002761841,1.67999994754791,-1.49500000476837,2.0,9.0,23.0
InChI%3D1S%2FC4H8N2O%2Fc7-5-6-3-1-2-4-6%2Fh1-4H2,12.0,12.0,19.0,10.0,3.57340002059937,6.0,114.379302978516,12.7691879272461,3.32999992370605,4.36899995803833,0.0,28.0,55.0
InChI%3D1S%2FC24H34O9%2Fc1-12%282%297-18%2827%2932-16-9-23%2810-29-14%284%2925%2917%288-13%2816%293%2933-21-19%2828%2920%2831-15%285%2926%2922%2823%2C6%2924%2821%2911-30-24%2Fh8%2C12%2C16-17%2C19-21%2C28H%2C7%2C9-11H2%2C1-6H3,0.0,0.0,3.0,7.0,-0.0489999987185001,9.0,113.26969909668,0.00240099988877773,3.10999989509583,1.69200003147125,1.0,36.0,67.0
InChI%3D1S%2FC4H3FN2O2%2Fc5-2-1-6-4%289%297-3%282%298%2Fh1H%2C%28H2%2C6%2C7%2C8%2C9%29,6.0,6.0,8.0,0.0,0.0270000007003546,0.0,26.5935001373291,0.00072900002123788,1.35000002384186,-0.628000020980835,2.0,9.0,12.0
InChI%3D1S%2FC2H5NS%2Fc1-2%283%294%2Fh1H3%2C%28H2%2C3%2C4%29,0.0,0.0,2.0,4.0,0.555599987506866,0.0,20.3145999908447,0.30869135260582,1.46000003814697,0.742999970912933,1.0,3.0,9.0
InChI%3D1S%2FC6H12Cl3O4P%2Fc7-1-4-11-14%2810%2C12-5-2-8%2913-6-3-9%2Fh1-6H2,0.0,0.0,5.0,14.0,2.20379996299744,9.0,56.1287002563477,4.85673427581787,1.24000000953674,1.60500001907349,0.0,13.0,26.0
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,6.0,6.0,6.0,2.0,1.51470005512238,1.0,40.0862007141113,2.2943160533905,2.33999991416931,2.93799996376038,0.0,8.0,18.0
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%29,6.0,6.0,7.0,0.0,0.0472999997437,0.0,61.2617988586426,0.00223728991113603,2.45000004768372,1.28199994564056,3.0,17.0,30.0
InChI%3D1S%2FC4H7NO2%2Fc1-2-4%287%295-3-6%2Fh2%2C6H%2C1%2C3H2%2C%28H%2C5%2C7%29,0.0,0.0,5.0,7.0,-1.04579997062683,2.0,25.4099998474121,1.09369766712189,1.57000005245209,-0.151999995112419,2.0,6.0,14.0
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%29,10.0,10.0,15.0,2.0,-0.625999987125397,3.0,20.8824996948242,0.391876012086868,1.35000002384186,0.989000022411346,2.0,16.0,21.0
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%29,6.0,6.0,8.0,2.0,0.0842000022530556,2.0,64.2021026611328,0.00708964001387358,2.23000001907349,2.11100006103516,2.0,18.0,29.0
InChI%3D1S%2FC4H4N2OS%2Fc7-3-1-2-5-4%288%296-3%2Fh1-2H%2C%28H2%2C5%2C6%2C7%2C8%29,6.0,6.0,7.0,0.0,-0.378699988126755,0.0,32.684398651123,0.143413692712784,1.46000003814697,-0.27700001001358,1.0,8.0,12.0
InChI%3D1S%2FC2H6N2O%2Fc1-4%282%293-5%2Fh1-2H3,0.0,0.0,3.0,5.0,0.0908000022172928,1.0,20.050500869751,0.0082446401938796,1.35000002384186,-0.275000005960464,0.0,4.0,11.0
InChI%3D1S%2FC12H10FN%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C14H2,12.0,12.0,13.0,0.0,1.12870001792908,1.0,63.148998260498,1.27396368980408,2.55999994277954,1.432000041008,1.0,15.0,24.0
InChI%3D1S%2FC3H7N3O3%2Fc4-3%288%296%285-9%291-2-7%2Fh7H%2C1-2H2%2C%28H2%2C4%2C8%29,0.0,0.0,6.0,9.0,-0.114100001752377,4.0,29.1236000061035,0.0130188101902604,1.12999999523163,-0.857999980449677,3.0,8.0,16.0
InChI%3D1S%2FC42H50Cl4N2O4%2Fc1-42-17-16-36-35-13-11-34%2851-40%2849%2926-29-2-7-32%288-3-29%2947%2822-18-43%2923-19-44%2928-31%2835%296-12-37%2836%2938%2842%2914-15-39%2842%2952-41%2850%2927-30-4-9-33%2810-5-30%2948%2824-20-45%2925-21-46%2Fh2-5%2C7-11%2C13%2C28%2C36-39H%2C6%2C12%2C14-27H2%2C1H3,23.0,22.0,13.0,7.0,5.79890012741089,18.0,224.199295043945,33.6272430419922,4.98000001907349,8.41499996185303,0.0,57.0,98.0
InChI%3D1S%2FC7H8ClN%2Fc1-5-4-6%288%292-3-7%285%299%2Fh2-4H%2C9H2%2C1H3,6.0,6.0,7.0,0.0,1.02180004119873,0.0,43.5037994384766,1.04407525062561,2.00999999046326,1.08200001716614,1.0,9.0,17.0
InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,0.0,0.0,0.0,7.0,0.89980000257492,1.0,29.2457008361816,0.809640049934387,1.12999999523163,0.801999986171722,2.0,6.0,10.0
InChI%3D1S%2FC10H9Cl4O4P%2Fc1-16-19%2815%2C17-2%2918-10%285-11%296-3-8%2813%299%2814%294-7%286%2912%2Fh3-5H%2C1-2H3,6.0,6.0,13.0,10.0,2.73530006408691,5.0,80.5628967285156,7.48186588287354,1.57000005245209,3.21900010108948,0.0,19.0,28.0
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%29,6.0,6.0,7.0,2.0,-0.155000001192093,2.0,64.4610977172852,0.0240250006318092,1.89999997615814,-0.528999984264374,4.0,15.0,28.0
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%2C1-6H3,12.0,12.0,12.0,4.0,-1.58270001411438,10.0,164.028198242188,2.50493931770325,3.88000011444092,2.32800006866455,1.0,49.0,86.0
InChI%3D1S%2FC6H13NO%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H2%2C7%2C8%29,0.0,0.0,3.0,8.0,-0.859499990940094,4.0,27.6590995788574,0.738740265369415,1.89999997615814,2.28600001335144,2.0,7.0,21.0
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%29,5.0,5.0,16.0,4.0,0.318199992179871,3.0,26.1991996765137,0.101251237094402,1.35000002384186,1.28699994087219,2.0,18.0,24.0
InChI%3D1S%2FC23H36N2O2%2Fc1-21%282%2C3%2925-20%2827%2917-8-7-15-14-6-9-18-23%285%2C13-11-19%2826%2924-18%2916%2814%2910-12-22%2815%2C17%294%2Fh11%2C13-18H%2C6-10%2C12H2%2C1-5H3%2C%28H%2C24%2C26%29%28H%2C25%2C27%29,0.0,0.0,5.0,7.0,1.89079999923706,2.0,105.400901794434,3.57512474060059,3.54999995231628,5.31099987030029,2.0,30.0,63.0
InChI%3D1S%2FC2H5N3O2%2Fc1-5%284-7%292%283%296%2Fh1H3%2C%28H2%2C3%2C6%29,0.0,0.0,6.0,7.0,0.425300002098083,2.0,22.8313007354736,0.180880084633827,1.12999999523163,-0.149000003933907,2.0,6.0,12.0
InChI%3D1S%2FC7H10N2%2Fc8-9-6-7-4-2-1-3-5-7%2Fh1-5%2C9H%2C6%2C8H2,6.0,6.0,6.0,3.0,0.203500002622604,2.0,43.0320014953613,0.0414122492074966,2.00999999046326,0.301999986171722,2.0,9.0,19.0
InChI%3D1S%2FC9H6O2%2Fc10-9-6-5-7-3-1-2-4-8%287%2911-9%2Fh1-6H,6.0,6.0,9.0,0.0,0.767099976539612,0.0,44.7696990966797,0.588442385196686,2.23000001907349,0.76800000667572,0.0,12.0,19.0
InChI%3D1S%2FC2H4O%2Fc1-2-3-1%2Fh1-2H2,0.0,0.0,0.0,0.0,-0.130899995565414,0.0,11.0434999465942,0.0171348098665476,1.57000005245209,-0.189999997615814,0.0,3.0,7.0
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%29,11.0,10.0,18.0,3.0,0.0623000003397465,3.0,87.6526031494141,0.00388129008933902,2.67000007629395,1.49199998378754,3.0,25.0,40.0
InChI%3D1S%2FC7H5N3O2%2Fc11-10%2812%295-1-2-6-7%283-5%299-4-8-6%2Fh1-4H%2C%28H%2C8%2C9%29,6.0,6.0,11.0,3.0,-0.0465999990701675,1.0,2.88579988479614,0.00217155995778739,1.67999994754791,1.69200003147125,2.0,13.0,19.0
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%29,5.0,5.0,16.0,2.0,-1.28090000152588,3.0,32.3368988037109,1.64070475101471,1.35000002384186,0.880999982357025,1.0,18.0,23.0
InChI%3D1S%2FC6H8N2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C7-8H2,6.0,6.0,8.0,0.0,-0.990000009536743,0.0,38.0554008483887,0.980099976062775,1.89999997615814,-0.167999997735023,2.0,8.0,16.0
InChI%3D1S%2FC10H5Cl7%2Fc11-4-2-1-3-5%284%299%2815%297%2813%296%2812%298%283%2C14%2910%289%2C16%2917%2Fh1-5H,0.0,0.0,2.0,0.0,4.0327000617981,0.0,75.8010025024414,16.2626686096191,1.78999996185303,3.54999995231628,0.0,19.0,22.0
InChI%3D1S%2FC6H4O2%2Fc7-5-1-2-6%288%294-3-5%2Fh1-4H,0.0,0.0,8.0,0.0,-0.0187999997287989,0.0,31.0287990570068,0.000353440002072603,1.89999997615814,-0.228000000119209,0.0,8.0,12.0
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%29,10.0,10.0,18.0,5.0,-0.164199993014336,4.0,23.6989002227783,0.0269616395235062,1.89999997615814,2.62199997901917,2.0,19.0,26.0
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%2C1-4H3,12.0,12.0,16.0,3.0,1.69379997253418,4.0,92.0556030273438,2.86895847320557,3.0,2.06800007820129,0.0,21.0,40.0
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,0.0,0.0,0.0,4.0,1.51180005073547,1.0,20.6555995941162,2.28553915023804,1.46000003814697,1.74000000953674,0.0,3.0,8.0
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%29,0.0,0.0,3.0,13.0,-1.31159996986389,6.0,38.2419013977051,1.72029459476471,1.35000002384186,-1.79100000858307,3.0,12.0,22.0
InChI%3D1S%2FC3H7N5O3%2Fc1-2-5-3%284%297%286-9%298%2810%2911%2Fh2H2%2C1H3%2C%28H2%2C4%2C5%29,0.0,0.0,9.0,11.0,0.234099999070168,5.0,30.2331008911133,0.0548028089106083,0.910000026226044,0.737999975681305,2.0,10.0,18.0
InChI%3D1S%2FC20H16%2Fc1-13-16-8-5-6-9-17%2816%2914%282%2920-18%2813%2912-11-15-7-3-4-10-19%2815%2920%2Fh3-12H%2C1-2H3,21.0,18.0,18.0,0.0,3.9293999671936,0.0,94.1108016967773,15.4401845932007,3.66000008583069,6.29199981689453,0.0,23.0,36.0
InChI%3D1S%2FC9H7N3O2S%2Fc10-9-11-8%285-15-9%296-1-3-7%284-2-6%2912%2813%2914%2Fh1-5H%2C%28H2%2C10%2C11%29,6.0,6.0,9.0,2.0,0.546999990940094,2.0,27.4890995025635,0.299208998680115,1.78999996185303,2.81800007820129,2.0,16.0,24.0
InChI%3D1S%2FC7H8N2O2%2Fc1-5-2-3-6%289%2810%2911%294-7%285%298%2Fh2-4H%2C8H2%2C1H3,6.0,6.0,10.0,2.0,-0.154499992728233,1.0,12.6099996566772,0.023870250210166,1.78999996185303,1.76499998569489,1.0,11.0,19.0
InChI%3D1S%2FC13H17N3O4S%2Fc1-10-12%2814%282%299-21%2818%2C19%2920%2913%2817%2916%2815%2810%293%2911-7-5-4-6-8-11%2Fh4-8H%2C9H2%2C1-3H3%2C%28H%2C18%2C19%2C20%29,6.0,6.0,10.0,7.0,-0.139400005340576,4.0,82.6871032714844,0.0194323603063822,2.00999999046326,-1.31099998950958,1.0,22.0,40.0
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%2C1-6H2,0.0,0.0,5.0,20.0,5.15250015258789,12.0,101.070198059082,26.5482559204102,1.24000000953674,5.55000019073486,0.0,19.0,35.0
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%29,6.0,6.0,6.0,11.0,1.86329996585846,7.0,61.6183013916016,3.47188687324524,2.00999999046326,2.32599997520447,4.0,17.0,31.0
InChI%3D1S%2FC3H8N2%2Fc1-2-3-5-4%2Fh2%2C5H%2C1%2C3-4H2,0.0,0.0,2.0,5.0,-0.29679998755455,2.0,23.4435005187988,0.0880902409553528,1.57000005245209,-0.174999997019768,2.0,4.0,13.0
InChI%3D1S%2FC12H10ClNO%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H%2C14H2,12.0,12.0,14.0,0.0,0.931100010871887,2.0,70.4521026611328,0.86694723367691,2.45000004768372,1.82599997520447,1.0,16.0,25.0
InChI%3D1S%2FC14H7ClF3NO5%2Fc15-10-5-7%2814%2816%2C17%2918%291-4-12%2810%2924-8-2-3-11%2819%2822%2923%299%286-8%2913%2820%2921%2Fh1-6H%2C%28H%2C20%2C21%29,12.0,12.0,19.0,3.0,1.40190005302429,5.0,23.7744007110596,1.96532356739044,1.89999997615814,5.01800012588501,1.0,25.0,31.0
InChI%3D1S%2FC2Cl2%2Fc3-1-2-4,0.0,0.0,2.0,4.0,0.971199989318848,0.0,20.1837997436523,0.94322943687439,1.46000003814697,1.98599994182587,0.0,3.0,4.0
InChI%3D1S%2FC5H10Br2O2%2Fc6-1-5%282-7%2C3-8%294-9%2Fh8-9H%2C1-4H2,0.0,0.0,0.0,9.0,0.533599972724915,4.0,43.7966995239258,0.284728974103928,1.57000005245209,1.20200002193451,0.0,8.0,19.0
InChI%3D1S%2FC4H9NO2%2Fc1-4%282%293-7-5-6%2Fh4H%2C3H2%2C1-2H3,0.0,0.0,3.0,7.0,-1.46490001678467,3.0,25.7915000915527,2.14593195915222,1.57000005245209,1.92999994754791,0.0,6.0,16.0
InChI%3D1S%2FC4H7Cl%2Fc1-4%282%293-5%2Fh1%2C3H2%2C2H3,0.0,0.0,2.0,5.0,1.90980005264282,1.0,24.7569999694824,3.64733600616455,1.78999996185303,1.24100005626678,0.0,4.0,12.0
InChI%3D1S%2FC2H5BrO%2Fc3-1-2-4%2Fh4H%2C1-2H2,0.0,0.0,0.0,4.0,0.451700001955032,1.0,20.5881004333496,0.204032883048058,1.46000003814697,0.603999972343445,1.0,3.0,9.0
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%29,0.0,0.0,3.0,3.0,2.4423999786377,2.0,71.7750015258789,5.96531772613525,1.35000002384186,1.2849999666214,2.0,20.0,23.0
InChI%3D1S%2FC12H12N2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10%2C13-14H,0.0,0.0,3.0,23.0,-6.03840017318726,20.0,92.7425003051758,36.4622764587402,3.44000005722046,7.50799989700317,2.0,30.0,76.0
InChI%3D1S%2FC12H9NO%2Fc13-8-5-6-12-10%287-8%299-3-1-2-4-11%289%2914-12%2Fh1-7H%2C13H2,15.0,13.0,14.0,0.0,0.171200007200241,0.0,63.2957000732422,0.0293094404041767,2.55999994277954,1.21399998664856,1.0,16.0,23.0
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%29,0.0,0.0,6.0,18.0,-1.90499997138977,8.0,57.6123008728027,3.62902498245239,1.24000000953674,-3.41100001335144,5.0,17.0,33.0
InChI%3D1S%2FC7H3Cl5O%2Fc1-13-7-5%2811%293%289%292%288%294%2810%296%287%2912%2Fh1H3,6.0,6.0,7.0,2.0,2.74830007553101,1.0,61.1803016662598,7.5531530380249,1.57000005245209,3.94099998474121,0.0,13.0,16.0
InChI%3D1S%2FC6Cl6%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299,6.0,6.0,6.0,0.0,3.61560010910034,0.0,59.2529983520508,13.0725631713867,1.46000003814697,4.27799987792969,0.0,12.0,12.0
InChI%3D1S%2FC16H22N4O3%2Fc1-3-6-13-14%289-8-12%2811%282%2921%2916%2813%2922%2923-10-5-4-7-15-17-19-20-18-15%2Fh8-9%2C22H%2C3-7%2C10H2%2C1-2H3%2C%28H%2C17%2C18%2C19%2C20%29,6.0,6.0,10.0,5.0,-2.9818000793457,9.0,85.3385009765625,8.89113140106201,2.45000004768372,3.78900003433228,5.0,24.0,49.0
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%29,5.0,5.0,14.0,6.0,-0.309399992227554,4.0,23.0333995819092,0.0957283601164818,1.24000000953674,2.30399990081787,3.0,14.0,20.0
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%29,12.0,12.0,16.0,0.0,1.10889995098114,1.0,70.9686965942383,1.22965919971466,2.45000004768372,2.82200002670288,1.0,19.0,29.0
InChI%3D1S%2FC6H12N2%2Fc1-3-5-8%287%296-4-2%2Fh3-4H%2C1-2%2C5-7H2,0.0,0.0,2.0,8.0,0.85589998960495,4.0,37.9009017944336,0.732564806938171,1.89999997615814,-0.155000001192093,1.0,7.0,20.0
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%2C15H2,12.0,12.0,17.0,0.0,0.30009999871254,0.0,71.2730026245117,0.0900600105524063,2.67000007629395,0.298000007867813,1.0,19.0,26.0
InChI%3D1S%2FC12H14N4O2S%2Fc1-8-7-9%282%2915-12%2814-8%2916-19%2817%2C18%2911-5-3-10%2813%294-6-11%2Fh3-7H%2C13H2%2C1-2H3%2C%28H%2C14%2C15%2C16%29,12.0,12.0,17.0,4.0,-1.01160001754761,3.0,78.3058013916016,1.02333450317383,2.00999999046326,-0.734000027179718,2.0,20.0,33.0
InChI%3D1S%2FC4H6O2%2Fc1-3-6-4%282%295%2Fh3H%2C1H2%2C2H3,0.0,0.0,5.0,6.0,0.10530000180006,2.0,21.1049995422363,0.0110880900174379,1.67999994754791,0.694000005722046,0.0,5.0,12.0
InChI%3D1S%2FC12H12N2%2Fc13-11-5-1-9%282-6-11%2910-3-7-12%2814%298-4-10%2Fh1-8H%2C13-14H2,12.0,12.0,14.0,0.0,0.0221999995410442,1.0,66.5709991455078,0.000492840015795082,2.55999994277954,0.824000000953674,2.0,15.0,26.0
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,6.0,6.0,7.0,0.0,0.874100029468536,0.0,39.8465003967285,0.764050781726837,2.23000001907349,1.067999958992,0.0,10.0,17.0
InChI%3D1S%2FC11H9N3%2Fc12-10-6-5-8-7-3-1-2-4-9%287%2913-11%288%2914-10%2Fh1-6H%2C%28H3%2C12%2C13%2C14%29,6.0,6.0,7.0,0.0,-0.0195000004023314,0.0,56.0433006286621,0.000380250014131889,2.33999991416931,0.989000022411346,3.0,16.0,27.0
InChI%3D1S%2FC2H6O3S%2Fc1-5-6%282%2C3%294%2Fh1-2H3,0.0,0.0,4.0,6.0,-0.188199996948242,1.0,21.3852005004883,0.0354192405939102,1.24000000953674,-0.869000017642975,0.0,5.0,12.0
InChI%3D1S%2FC6H10O2%2Fc1-2-3-7-4-6-5-8-6%2Fh2%2C6H%2C1%2C3-5H2,0.0,0.0,2.0,5.0,0.383700013160706,4.0,30.919900894165,0.147225692868233,1.89999997615814,0.272000014781952,0.0,8.0,18.0
InChI%3D1S%2FC5H12N2O%2Fc1-2-3-4-7%286%295-8%2Fh5H%2C2-4%2C6H2%2C1H3,0.0,0.0,4.0,8.0,-1.81229996681213,4.0,30.5121002197266,3.28443121910095,1.67999994754791,-0.280000001192093,1.0,7.0,20.0
InChI%3D1S%2FC5H9NO%2Fc1-6-4-2-3-5%286%297%2Fh2-4H2%2C1H3,0.0,0.0,3.0,0.0,-0.774100005626678,0.0,25.3111991882324,0.599230825901031,1.78999996185303,-0.170000001788139,0.0,7.0,16.0