diff options
Diffstat (limited to 'cv/data/csv/FHM_topological.csv')
| -rw-r--r-- | cv/data/csv/FHM_topological.csv | 1072 |
1 files changed, 536 insertions, 536 deletions
diff --git a/cv/data/csv/FHM_topological.csv b/cv/data/csv/FHM_topological.csv index 71abc9e..9300a1b 100644 --- a/cv/data/csv/FHM_topological.csv +++ b/cv/data/csv/FHM_topological.csv @@ -1,536 +1,536 @@ -SMILES,ATSp1,ECCEN,khs.dsCH,VP-0,VPC-4,khs.aasC,MDEC-23,ATSc1,khs.sCl,ATSm1,TopoPSA,ATSc2,ATSc3,ATSm2,ATSm3,C2SP2,ATSc4,fragC,ATSm4,ATSm5,Kier2,khs.sssN,Kier3 -InChI%3D1S%2FC12H19N%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9H%2C13H2%2C1-4H3,847.81689453125,119.0,0.0,8.96410179138184,1.39779186248779,3.0,6.5518536567688,0.015455124899745,,13.3599882125854,26.0200004577637,-0.00742755923420191,0.00429212581366301,13.1661853790283,18.3323707580566,4.0,-0.00341051910072565,868.010009765625,19.6647415161133,16.8309268951416,4.48148155212402,0.0,2.47933888435364 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