diff options
Diffstat (limited to 'cv/data/csv/FHM_joelib.csv')
| -rw-r--r-- | cv/data/csv/FHM_joelib.csv | 1072 |
1 files changed, 536 insertions, 536 deletions
diff --git a/cv/data/csv/FHM_joelib.csv b/cv/data/csv/FHM_joelib.csv index 527b2cf..11c37a8 100644 --- a/cv/data/csv/FHM_joelib.csv +++ b/cv/data/csv/FHM_joelib.csv @@ -1,536 +1,536 @@ -SMILES,AliphaticOHGroups,HBA2,NumberOfHal,RotatableBonds,HeteroCycles,HydrophobicGroups,GraphShapeCoefficient,FractionRotatableBonds,KierShape1,MolarRefractivity,ZagrebIndex1,KierShape2,KierShape3,HBD1,PolarSurfaceArea,TopologicalDiameter,AromaticOHGroups,MolecularWeight,HBA1,LogP -InChI%3D1S%2FC12H19N%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9H%2C13H2%2C1-4H3,0.0,1.0,0.0,2.0,0.0,0.0,5.0,0.153846153846154,11.0769230769231,59.0324,62.0,4.48148148148148,2.47933884297521,1.0,26.02,6.0,0.0,158.138996124268,1.0,3.5156 -InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,0.0,0.0,0.0,0.0,0.0,0.0,4.0,0.0,6.69421487603306,43.948,50.0,2.93877551020408,1.38271604938272,0.0,0.0,5.0,0.0,120.109996795654,0.0,2.8398 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