diff options
Diffstat (limited to 'cv/data/csv/MOU_electronic_cpsa.csv')
| -rw-r--r-- | cv/data/csv/MOU_electronic_cpsa.csv | 804 |
1 files changed, 402 insertions, 402 deletions
diff --git a/cv/data/csv/MOU_electronic_cpsa.csv b/cv/data/csv/MOU_electronic_cpsa.csv index bea673c..a32292e 100644 --- a/cv/data/csv/MOU_electronic_cpsa.csv +++ b/cv/data/csv/MOU_electronic_cpsa.csv @@ -1,402 +1,402 @@ -SMILES,WNSA-1,WPSA-1,DPSA-2,PPSA-3,TPSA,WNSA-2,WPSA-2,WNSA-3,WPSA-3,DPSA-3,bpol,THSA,RNCG,FNSA-1,apol,RPSA,RNCS,FNSA-2,PNSA-1,RPCG,FNSA-3,PNSA-2,nHBAcc,RPCS,PNSA-3,RHSA,FPSA-1,nHBDon,FPSA-2,PPSA-1,FPSA-3,DPSA-1,PPSA-2 -InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,60.9271049499512,65.1835556030273,123.233283996582,10.4660749435425,0.0,-21.1428070068359,22.619873046875,-5.58998155593872,3.71671915054321,26.2071533203125,5.88603496551514,355.120635986328,0.377663969993591,0.483124136924744,12.5539646148682,0.0,24.2228965759277,-0.167652815580368,171.567352294922,0.187073335051537,-0.0443260036408901,-59.5369720458984,0.0,3.2416455745697,-15.74107837677,1.0,0.516875863075256,0.0,0.179365277290344,183.553283691406,0.0294718872755766,11.9859285354614,63.6963081359863 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