diff options
Diffstat (limited to 'cv/data/csv/FHM_all_pc.csv')
| -rw-r--r-- | cv/data/csv/FHM_all_pc.csv | 1136 |
1 files changed, 568 insertions, 568 deletions
diff --git a/cv/data/csv/FHM_all_pc.csv b/cv/data/csv/FHM_all_pc.csv index 64a5527..1201ffe 100644 --- a/cv/data/csv/FHM_all_pc.csv +++ b/cv/data/csv/FHM_all_pc.csv @@ -1,568 +1,568 @@ -SMILES,fragC,nAtomLC,nB,ALogP,PPSA-1,nRotB,khs.dsCH,TopoPSA,WPSA-1,WNSA-1,MLogP,ATSc1,apol,XLogP,ATSc2,ATSm1,bpol,FPSA-3,RNCG,ATSm2,ATSc3,ATSp5,C2SP3,RNCS,nHBAcc,AMR,ATSc4,RPCG,THSA,nAtom,ALogp2,PNSA-1,RPCS,nAtomP -InChI%3D1S%2FC10H9NO6%2Fc1-16-9%2812%296-3-4-7%2810%2813%2917-2%298%285-6%2911%2814%2915%2Fh3-5H%2C1-2H3,404.070007324219,4.0,17.0,-0.0241999998688698,277.026947021484,5.0,0.0,98.4199981689453,137.075897216797,107.76171875,1.78999996185303,0.624876856803894,29.5131378173828,1.79900002479553,-0.330592721700668,22.0068016052246,16.8428630828857,0.0355176627635956,0.208062425255775,20.2656688690186,0.211008235812187,967.086853027344,4.0,3.68558740615845,4.0,26.8626003265381,-0.146659672260284,0.194940939545631,383.036682128906,26.0,0.000585640023928136,217.783737182617,0.324923366308212,15.0 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