diff options
Diffstat (limited to 'cv/data/csv/FHM_electronic_cpsa.csv')
| -rw-r--r-- | cv/data/csv/FHM_electronic_cpsa.csv | 1072 |
1 files changed, 536 insertions, 536 deletions
diff --git a/cv/data/csv/FHM_electronic_cpsa.csv b/cv/data/csv/FHM_electronic_cpsa.csv index d9f1101..8d66e71 100644 --- a/cv/data/csv/FHM_electronic_cpsa.csv +++ b/cv/data/csv/FHM_electronic_cpsa.csv @@ -1,536 +1,536 @@ -SMILES,PNSA-2,FPSA-1,PNSA-3,DPSA-1,WNSA-1,DPSA-2,WNSA-2,TPSA,apol,DPSA-3,FPSA-3,bpol,WPSA-1,RNCG,THSA,RPCG,nHBAcc,RHSA,FNSA-1,nHBDon,FNSA-2,PNSA-1,PPSA-1 -InChI%3D1S%2FC12H19N%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9H%2C13H2%2C1-4H3,-61.1007957458496,0.823931813240051,-7.33370161056519,278.749542236328,32.5943260192871,347.029174804688,-26.2892036437988,12.1344013214111,34.8890686035156,20.1321620941162,0.0297459028661251,20.110933303833,152.529006958008,0.374400407075882,418.125213623047,0.153885245323181,1.0,0.971797466278076,0.176068171858788,1.0,-0.142009139060974,75.7550201416016,354.504577636719 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