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path: root/cv/data/csv/LOAEL_electronic_cpsa.csv
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SMILES,DPSA-1,FNSA-3,FPSA-3,PNSA-3,PPSA-3,RNCG,WPSA-1,bpol,TPSA,RPSA,apol,RNCS,RPCG,WPSA-3,RHSA,THSA,RPCS,FPSA-1,FNSA-1,PNSA-1,FNSA-2,PPSA-1,FPSA-2
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InChI%3D1S%2FC10H12O%2Fc1-3-4-9-5-7-10%2811-2%298-6-9%2Fh3-8H%2C1-2H3,174.261184692383,-0.0266735479235649,0.0340898372232914,-11.0827856063843,14.164234161377,0.475335121154785,122.521499633789,15.0344839096069,17.372106552124,0.041810404509306,26.4035167694092,8.25757312774658,0.102505601942539,5.88520002365112,0.958189606666565,398.125122070312,0.635061621665955,0.709701955318451,0.290298014879227,120.618026733398,-0.212931871414185,294.879211425781,0.520562171936035
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%2C1-4H3,505.742156982422,-0.0213876739144325,0.0284551680088043,-16.3609561920166,21.7673873901367,0.150228843092918,486.029693603516,47.289867401123,45.5523338317871,0.0595477633178234,70.7861328125,0.744432389736176,0.141805157065392,16.6514263153076,0.940452218055725,719.419006347656,0.401362270116806,0.830562829971313,0.169437170028687,129.61457824707,-0.351311028003693,635.356750488281,1.72208893299103
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,-45.7454986572266,-0.0750543028116226,0.023445250466466,-53.2802238464355,16.6435260772705,0.190919011831284,235.734069824219,26.2731056213379,59.2229957580566,0.0834257155656815,46.3048934936523,0.0326229408383369,0.211624026298523,11.815055847168,0.91657429933548,650.666015625,0.0,0.467779815196991,0.532220184803009,377.817230224609,-1.02015960216522,332.071746826172,0.896640360355377
InChI%3D1S%2FC2H3Cl3O2%2Fc3-2%284%2C5%291%286%297%2Fh1%2C6-7H,-139.604873657227,-0.12243214994669,0.0490681864321232,-36.63818359375,14.6837997436523,0.342811048030853,23.887580871582,4.53962087631226,108.154846191406,0.361416131258011,13.664379119873,9.80192089080811,0.298995167016983,4.39417028427124,0.638583838939667,191.098114013672,0.0,0.266744375228882,0.733255624771118,219.428909301758,-0.776617050170898,79.8240432739258,0.282518416643143
InChI%3D1S%2FC14H16ClN5O5S%2Fc1-9-16-12%2819-14%2817-9%2924-2%2918-13%2821%2920-26%2822%2C23%2911-6-4-3-5-10%2811%2925-8-7-15%2Fh3-6H%2C7-8H2%2C1-2H3%2C%28H2%2C16%2C17%2C18%2C19%2C20%2C21%29,203.415390014648,-0.0688554495573044,0.0449087135493755,-49.9992980957031,32.6104049682617,0.123650789260864,337.500915527344,37.2121391296387,104.897972106934,0.144457966089249,52.565860748291,2.6974184513092,0.101201929152012,23.6800060272217,0.855542004108429,621.250793457031,0.264522135257721,0.640064537525177,0.359935462474823,261.36669921875,-1.02574896812439,464.782073974609,1.82406461238861
InChI%3D1S%2FC19H22FN3O%2Fc20-17-8-6-16%287-9-17%2918%2824%294-3-11-22-12-14-23%2815-13-22%2919-5-1-2-10-21-19%2Fh1-2%2C5-10H%2C3-4%2C11-15H2,282.662689208984,-0.0399688296020031,0.0393271893262863,-27.6104316711426,27.1671886444092,0.186584338545799,336.233276367188,31.4915542602539,95.853401184082,0.138757273554802,52.7684478759766,0.824304401874542,0.10095376521349,18.7670707702637,0.861242711544037,594.945739746094,1.76522195339203,0.70459109544754,0.29540890455246,204.068206787109,-0.475830107927322,486.730895996094,1.13492059707642
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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%29,83.5564193725586,-0.0872739851474762,0.035297691822052,-40.2601280212402,16.2830848693848,0.215743079781532,125.674827575684,20.4038982391357,176.168212890625,0.381889015436172,38.0381011962891,4.74325942993164,0.176460385322571,7.51150608062744,0.618110954761505,285.139129638672,0.532746315002441,0.590564787387848,0.409435212612152,188.875457763672,-0.628239452838898,272.431884765625,0.906165659427643
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