diff options
Diffstat (limited to 'paper/data/mazzatorta.csv~')
| -rw-r--r-- | paper/data/mazzatorta.csv~ | 568 |
1 files changed, 0 insertions, 568 deletions
diff --git a/paper/data/mazzatorta.csv~ b/paper/data/mazzatorta.csv~ deleted file mode 100644 index 921a53b..0000000 --- a/paper/data/mazzatorta.csv~ +++ /dev/null @@ -1,568 +0,0 @@ -SMILES,LOAEL_mmol_kg_bw_day -C1=C(C(=CC(=C1NN=C3C2=C(C=C([S]([O-])(=O)=O)C=C2)C=CC3=O)OC)[S]([O-])(=O)=O)C.[Na+].[Na+],7.531899781214326 -O1C(=O)C(O)=C(O)C1C(O)CO,17.323010613197102 -C1(C)=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)OC)C(C)(C)CCC1,1.119409718240544 -c(cccc1)(c1)C(C)C,3.8438632722857955 -O=C(OCCCC)c(c(ccc1)C(=O)OCCCC)c1,2.1556100397968727 -O=C(OCC)c(c(ccc1)C(=O)OCC)c1,19.95615854702247 -O=C(OC(OC(OC1C)C)C1)C,0.7175892491582392 -Oc(c(ccc1)C)c1C,0.04911414454620167 -Oc(ccc(c1C)C)c1,0.1145996706078039 -O=C(OCC)C=C,2.477130986890983 -c(cccc1)(c1)CC,3.843074459567654 -OCCO,4.027850816139244 -c(ccc1C(=O)OCC(=O)OCC)cc1C(=O)OCC,8.919866912731305 -O=C,2.73096831477274 -O=C(O)C=CC(=O)O,9.313172081918696 -OCC(O)CO,74.73899985905678 -O=C(OC)c(ccc(O)c1)c1,9.858865736182537 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