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path: root/cv/data/csv/LOAEL_electronic_cpsa.csv
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SMILES,DPSA-1,FNSA-3,FPSA-3,bpol,RNCS,THSA,RPCG
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InChI%3D1S%2FC12H14N2%2Fc1-13-7-3-11%284-8-13%2912-5-9-14%282%2910-6-12%2Fh3-10H%2C1-2H3,362.192626953125,-0.00903143640607595,0.0339683033525944,28.0105533599854,2.16322684288025,451.986206054688,0.0509170144796371
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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%2C1-4H3,445.326232910156,-0.0293027553707361,0.0255425330251455,47.289867401123,0.556185126304626,729.208435058594,0.141805157065392
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InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,-148.199325561523,-0.124805748462677,0.0459544435143471,4.53962087631226,6.77543163299561,191.853652954102,0.298995167016983
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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%29,83.7006530761719,-0.0783537551760674,0.0275180879980326,20.4038982391357,7.82146263122559,399.293701171875,0.176460385322571
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%29,158.903961181641,-0.040643610060215,0.0531889572739601,9.83886337280273,15.4532032012939,249.439453125,0.46529084444046
InChI%3D1S%2FC9H7N3S%2Fc1-6-3-2-4-7-8%286%2912-5-10-11-9%2812%2913-7%2Fh2-5H%2C1H3,110.363563537598,-0.0407052636146545,0.0469653494656086,14.7588634490967,1.74465668201447,466.176300048828,0.192812129855156
InChI%3D1S%2FC2H7O3P%2Fc1-4-6%283%295-2%2Fh6H%2C1-2H3,,,,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%2C1H3,76.3048629760742,-0.053064439445734,0.0321418233215809,19.0188980102539,3.37702083587646,630.13037109375,0.188046604394913
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,127.39363861084,-0.0364024452865124,0.0549926236271858,10.9320697784424,9.6912670135498,349.888702392578,0.249726191163063
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%29,248.152008056641,-0.0363275147974491,0.0487185381352901,19.634105682373,6.26282167434692,378.102508544922,0.246369287371635
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InChI%3D1S%2FC11H15NO2S%2Fc1-7-5-9%2814-11%2813%2912-3%296-8%282%2910%287%2915-4%2Fh5-6H%2C1-4H3%2C%28H%2C12%2C13%29,218.681854248047,-0.0602821260690689,0.0631204321980476,21.9141044616699,10.4002237319946,408.352783203125,0.239376842975616
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%29,281.932250976562,-0.0407871156930923,0.0336275547742844,35.463794708252,2.21509051322937,566.007080078125,0.133283674716949
InChI%3D1S%2FC6H8N2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H%2C7-8H2,100.143486022949,-0.0764034539461136,0.0697155371308327,7.42565584182739,10.5856628417969,227.30158996582,0.206305131316185
InChI%3D1S%2FC14H16ClN3O2%2Fc1-14%282%2C3%2912%2819%2913%2818-9-16-8-17-18%2920-11-6-4-10%2815%295-7-11%2Fh4-9%2C13H%2C1-3H3,230.722259521484,-0.0405806116759777,0.0399802885949612,27.1381397247314,0.589574575424194,536.568664550781,0.108415745198727
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