diff options
Diffstat (limited to 'test/data/LOAEL_log_mmol_corrected_smiles.csv')
| -rw-r--r-- | test/data/LOAEL_log_mmol_corrected_smiles.csv | 568 |
1 files changed, 0 insertions, 568 deletions
diff --git a/test/data/LOAEL_log_mmol_corrected_smiles.csv b/test/data/LOAEL_log_mmol_corrected_smiles.csv deleted file mode 100644 index 6b85e0f..0000000 --- a/test/data/LOAEL_log_mmol_corrected_smiles.csv +++ /dev/null @@ -1,568 +0,0 @@ -SMILES,LOAEL_log_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+],2.12309380508316 -O1C(=O)C(O)=C(O)C1C(O)CO,1.76137662853832 -C1(C)=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)OC)C(C)(C)CCC1,2.95101092705237 -c(cccc1)(c1)C(C)C,2.41523206875268 -O=C(OCCCC)c(c(ccc1)C(=O)OCCCC)c1,2.66642980233607 -O=C(OCC)c(c(ccc1)C(=O)OCC)c1,1.69992305435084 -O=C(OC(OC(OC1C)C)C1)C,3.14412407646651 -Oc(c(ccc1)C)c1C,4.30879341594785 -Oc(ccc(c1C)C)c1,3.94081663065326 -O=C(OCC)C=C,2.60605102798022 -c(cccc1)(c1)CC,2.41532120099855 -OCCO,2.39492662325430 -c(ccc1C(=O)OCC(=O)OCC)cc1C(=O)OCC,2.04964162538818 -O=C,2.56368333860036 -O=C(O)C=CC(=O)O,2.03090237239810 -OCC(O)CO,1.12645271808123 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