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

SMILES,THSA,apol,bpol,RNCS,RPCG,FNSA-3,FPSA-3
InChI%3D1S%2FC13H12BrCl2N3O%2Fc14-9-4-13%2820-5-9%2C6-19-8-17-7-18-19%2911-2-1-10%2815%293-12%2811%2916%2Fh1-3%2C7-9H%2C4-6H2,655.042053222656,45.0606880187988,23.5173110961914,1.46358001232147,0.0881587639451027,-0.0533148683607578,0.0411908403038979
InChI%3D1S%2FC12H14N2%2Fc1-13-7-3-11%284-8-13%2912-5-9-14%282%2910-6-12%2Fh3-10H%2C1-2H3,451.986206054688,37.989444732666,28.0105533599854,2.16322684288025,0.0509170144796371,-0.00903143640607595,0.0339683033525944
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,616.374328613281,42.3431358337402,11.9388628005981,15.2858333587646,0.225426197052002,-0.0846881419420242,0.0307731777429581
InChI%3D1S%2FC20H22N4O6S%2Fc1-28-12-17%2825%2921-16-11-14%2831-13-7-5-4-6-8-13%299-10-15%2816%2922-18%2823-19%2826%2929-2%2924-20%2827%2930-3%2Fh4-11H%2C12H2%2C1-3H3%2C%28H%2C21%2C25%29%28H2%2C22%2C23%2C24%2C26%2C27%29,517.057067871094,61.9814453125,37.3585548400879,2.06120038032532,0.0887908041477203,-0.0760288760066032,0.0573301054537296
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%2C3-4H2,460.811553955078,37.9251365661621,17.6948623657227,5.8306713104248,0.188113421201706,-0.0835041180253029,0.0382685363292694
InChI%3D1S%2FC7H12ClN5%2Fc1-3-9-6-11-5%288%2912-7%2813-6%2910-4-2%2Fh3-4H2%2C1-2H3%2C%28H2%2C9%2C10%2C11%2C12%2C13%29,764.865051269531,66.9990005493164,35.5990028381348,2.21937775611877,0.0467898212373257,-0.0175956804305315,0.0380934104323387
InChI%3D1S%2FC8H6Cl2O3%2Fc9-5-1-2-7%286%2810%293-5%2913-4-8%2811%2912%2Fh1-3H%2C4H2%2C%28H%2C11%2C12%29,337.167297363281,24.8467578887939,10.2732419967651,3.20989584922791,0.227248057723045,-0.101621456444263,0.0396778434514999
InChI%3D1S%2FC15H12F3NO4S%2Fc1-24%2821%2C22%2912-6-9%2815%2816%2C17%2918%294-5-10%2812%2913%2820%2911-7-19-23-14%2811%298-2-3-8%2Fh4-8H%2C2-3H2%2C1H3,456.497131347656,45.9476890563965,29.7903118133545,2.58830857276917,0.210989639163017,-0.0877234861254692,0.026817524805665
InChI%3D1S%2FC16H12ClF4N3O4%2Fc1-2-22%288-10-11%2817%294-3-5-12%2810%2918%2915-13%2823%2825%2926%296-9%2816%2819%2C20%2921%297-14%2815%2924%2827%2928%2Fh3-7H%2C2%2C8H2%2C1H3,565.965698242188,47.0775146484375,22.8424835205078,0.0,0.229747280478477,-0.0812269747257233,0.0186255127191544
InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3-8H%2C1-2H3,410.037963867188,26.4035167694092,15.0344839096069,10.2745866775513,0.102505601942539,-0.0287916157394648,0.033822376281023
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%2C1-4H3,729.208435058594,70.7861328125,47.289867401123,0.556185126304626,0.141805157065392,-0.0293027553707361,0.0255425330251455
InChI%3D1S%2FC15H11BrClF3N2O%2Fc1-2-23-8-22-13%289-3-5-10%2817%296-4-9%2911%287-21%2912%2816%2914%2822%2915%2818%2C19%2920%2Fh3-6H%2C2%2C8H2%2C1H3,569.419006347656,46.3048934936523,26.2731056213379,0.549152851104736,0.211624026298523,-0.0803621113300323,0.0237147994339466
InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,191.853652954102,13.664379119873,4.53962087631226,6.77543163299561,0.298995167016983,-0.124805748462677,0.0459544435143471
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InChI%3D1S%2FC10H14NO5PS%2Fc1-3-14-17%2818%2C15-4-2%2916-10-7-5-9%286-8-10%2911%2812%2913%2Fh5-8H%2C3-4H2%2C1-2H3,558.840148925781,38.5751037597656,28.6488971710205,0.236246407032013,0.22258223593235,-0.034323550760746,0.0310157872736454
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InChI%3D1S%2FC14H12FNO3%2Fc1-7-2-3-8-4-9%2815%295-10-12%288%2916%287%296-11%2813%2810%2917%2914%2818%2919%2Fh4-7H%2C2-3H2%2C1H3%2C%28H%2C18%2C19%29,399.293701171875,38.0381011962891,20.4038982391357,7.82146263122559,0.176460385322571,-0.0783537551760674,0.0275180879980326
InChI%3D1S%2FC13H15N3O3%2Fc1-7%282%2913%283%2912%2819%2915-10%2816-13%299-8%2811%2817%2918%295-4-6-14-9%2Fh4-7H%2C1-3H3%2C%28H%2C17%2C18%29%28H%2C15%2C16%2C19%29,249.439453125,16.7031364440918,9.83886337280273,15.4532032012939,0.46529084444046,-0.040643610060215,0.0531889572739601
InChI%3D1S%2FC9H7N3S%2Fc1-6-3-2-4-7-8%286%2912-5-10-11-9%2812%2913-7%2Fh2-5H%2C1H3,466.176300048828,28.0411376953125,14.7588634490967,1.74465668201447,0.192812129855156,-0.0407052636146545,0.0469653494656086
InChI%3D1S%2FC2H7O3P%2Fc1-4-6%283%295-2%2Fh6H%2C1-2H3,,14.2235507965088,19.9224491119385,,,,
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%2C1H3,630.13037109375,44.261100769043,19.0188980102539,3.37702083587646,0.188046604394913,-0.053064439445734,0.0321418233215809
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,349.888702392578,28.5899295806885,10.9320697784424,9.6912670135498,0.249726191163063,-0.0364024452865124,0.0549926236271858
InChI%3D1S%2FC11H15NO2%2Fc1-7-5-10%2814-11%2813%2912-4%296-8%282%299%287%293%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,378.102508544922,32.0658950805664,19.634105682373,6.26282167434692,0.246369287371635,-0.0363275147974491,0.0487185381352901
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InChI%3D1S%2FC22H28N2O3%2Fc1-14-11-15%282%2913-17%2812-14%2921%2826%2924%2822%284%2C5%296%2923-20%2825%2918-9-8-10-19%2827-7%2916%2818%293%2Fh8-13H%2C1-7H3%2C%28H%2C23%2C25%29,566.007080078125,61.9962043762207,35.463794708252,2.21509051322937,0.133283674716949,-0.0407871156930923,0.0336275547742844
InChI%3D1S%2FC6H8N2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H%2C7-8H2,227.30158996582,18.8963432312012,7.42565584182739,10.5856628417969,0.206305131316185,-0.0764034539461136,0.0697155371308327
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