diff options
Diffstat (limited to 'data/swissRat_chron_LOAEL_mmol.csv')
| -rw-r--r-- | data/swissRat_chron_LOAEL_mmol.csv | 494 |
1 files changed, 494 insertions, 0 deletions
diff --git a/data/swissRat_chron_LOAEL_mmol.csv b/data/swissRat_chron_LOAEL_mmol.csv new file mode 100644 index 0000000..997d8a4 --- /dev/null +++ b/data/swissRat_chron_LOAEL_mmol.csv @@ -0,0 +1,494 @@ +SMILES,LOAEL parental as dose (mmol/kg bw per day) +[O-][N+]2=NC(N3C=CN=C3)=NC1=CC=C(Cl)C=C12,0.00020190555530632425 +ClC(C=C(C=C1Cl)C(F)(F)F)=C1N2N=C(C(S(C(F)(F)F)=O)=C2N)C#N,0.00013496580117055152 +CC(C(O)=O)OC2=CC=C(C=C2)OC1=C(Cl)C=C(C(F)(F)F)C=N1,0.0002764719511333511 +S=P(OCC)(OCC)SCSC(C)(C)C,0.00034670385697674235 +CCSCSP(OCC)(OCC)=S,0.0006144925475253195 +CC(OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1)C(OC)=O,0.0005861906011027885 +S=P(OC)(OC)SCC(NC)=O,0.000872381733741038 +S=P(OC)(OC)OC1=CC(C)=C(SC)C=C1,0.0007185764991867223 +O=P(OC)(OC)SCCS(CC)=O,0.0008932752807580748 +O=P(OCC)(SC(C)CC)SC(C)CC,0.0008210296720157477 +O=P(SC)(OC)N,0.0020548549325897737 +CCS(CCSP(OC)(OC)=O)(=O)=O,0.0011437981092748413 +O=P(OC)(OC)SCCSCC,0.001519854088965729 +O=P(OC)(OC)O/C(C)=C/C(OC)=O,0.0015614663384413926 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