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 ff174c7..015b3ae 100644 --- a/cv/data/csv/MOU_electronic_cpsa.csv +++ b/cv/data/csv/MOU_electronic_cpsa.csv @@ -1,402 +1,402 @@ -SMILES,THSA,nHBAcc,RNCG,bpol,apol,RNCS,RPCG -InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,356.175018310547,0.0,0.377663969993591,5.88603496551514,12.5539646148682,26.2731113433838,0.187073335051537 -InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2,312.607696533203,0.0,0.3819200694561,8.46603488922119,16.8939647674561,23.1904544830322,0.173232227563858 -InChI%3D1S%2FC11H11N5%2Fc1-6-5-13-7-3-4-8-10%289%287%2914-6%2915-11%2812%2916%288%292%2Fh3-5H%2C1-2H3%2C%28H2%2C12%2C15%29,372.134857177734,5.0,0.210286468267441,17.3052768707275,32.1947212219238,7.07911062240601,0.143205851316452 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