diff options
Diffstat (limited to 'data/Maximum_Recommended_Daily_Dose-Human.csv')
| -rw-r--r-- | data/Maximum_Recommended_Daily_Dose-Human.csv | 1217 |
1 files changed, 1217 insertions, 0 deletions
diff --git a/data/Maximum_Recommended_Daily_Dose-Human.csv b/data/Maximum_Recommended_Daily_Dose-Human.csv new file mode 100644 index 0000000..6322783 --- /dev/null +++ b/data/Maximum_Recommended_Daily_Dose-Human.csv @@ -0,0 +1,1217 @@ +SID,SMILES,-log10(Maximum_Recommended_Daily_Dose-Human [mmol/kg-bw/day]) +48415500,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O,2.1417877425480896 +48415501,CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3OC2=O)O,3.2471452052692893 +48415502,CC(=O)NC1=CC=C(C=C1)O,0.4804738867412574 +48415503,CC(=O)NC1=CC=CC=C1,1.4318886655417273 +48415504,CC(=O)NC1=NN=C(S1)S(=O)(=O)N,1.1241166718535796 +48415505,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2,1.1131343641903568 +48415506,CC(=O)NO,0.6527304973433059 +48415507,CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO,1.6144330470236434 +48415508,CC(=O)[N-]S(=O)(=O)C1=C(C=CC(=C1)N)S(=O)(=O)C2=CC=C(C=C2)N.[Na+],0.76849218110383 +48415509,CC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I,0.7457468695831626 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