diff options
Diffstat (limited to 'cv/data/csv/LOAEL_constitutional.csv')
| -rw-r--r-- | cv/data/csv/LOAEL_constitutional.csv | 880 |
1 files changed, 440 insertions, 440 deletions
diff --git a/cv/data/csv/LOAEL_constitutional.csv b/cv/data/csv/LOAEL_constitutional.csv index f37a9bf..305b071 100644 --- a/cv/data/csv/LOAEL_constitutional.csv +++ b/cv/data/csv/LOAEL_constitutional.csv @@ -1,440 +1,440 @@ -SMILES,XLogP,AMR,ALogp2,nAtom,nAtomP,nB,nAtomLC,ALogP,nRotB,MLogP -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%2C4-6H2,1.83399999141693,86.92919921875,3.26452612876892,36.0,6.0,22.0,0.0,1.80680000782013,3.0,2.11999988555908 -InChI%3D1S%2FC12H14N2%2Fc1-13-7-3-11%284-8-13%2912-5-9-14%282%2910-6-12%2Fh3-10H%2C1-2H3,-0.225999996066093,61.7238006591797,1.89447700977325,36.0,2.0,15.0,0.0,1.37639999389648,0.0,2.55999994277954 -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,3.36500000953674,94.7104034423828,16.7772159576416,29.0,6.0,21.0,6.0,4.09600019454956,3.0,2.33999991416931 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