diff options
Diffstat (limited to 'cv/data/csv/LOAEL_joelib.csv')
| -rw-r--r-- | cv/data/csv/LOAEL_joelib.csv | 880 |
1 files changed, 440 insertions, 440 deletions
diff --git a/cv/data/csv/LOAEL_joelib.csv b/cv/data/csv/LOAEL_joelib.csv index e3f9db3..def2e37 100644 --- a/cv/data/csv/LOAEL_joelib.csv +++ b/cv/data/csv/LOAEL_joelib.csv @@ -1,440 +1,440 @@ -SMILES,NO2Groups,AromaticBonds,SO2Groups,RotatableBonds,MolecularWeight,AcidicGroups,HeteroCycles,HydrophobicGroups,ZagrebIndex1,GraphShapeCoefficient,MolarRefractivity,HBD1,NumberOfHal,FractionRotatableBonds,HBD2,NumberOfAtoms,PolarSurfaceArea,AliphaticOHGroups,HeavyBonds,KierShape1,BasicGroups,HBA1,KierShape2,NumberOfBonds,HBA2,KierShape3,TopologicalDiameter,LogP -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%2C4-6H2,0.0,11.0,0.0,3.0,364.972992897034,0.0,2.0,0.0,108.0,8.0,81.446,0.0,3.0,0.136363636363636,0.0,20.0,39.94,0.0,22.0,14.9173553719008,0.0,3.0,6.01171875,22.0,4.0,3.12244897959184,9.0,3.6642 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