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Diffstat (limited to 'paper/data/swiss.csv')
| -rw-r--r-- | paper/data/swiss.csv | 494 |
1 files changed, 494 insertions, 0 deletions
diff --git a/paper/data/swiss.csv b/paper/data/swiss.csv new file mode 100644 index 0000000..4331e3c --- /dev/null +++ b/paper/data/swiss.csv @@ -0,0 +1,494 @@ +SMILES,LOAEL,Dataset +N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.00013496580117055152,swiss +Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0.00020190555530632425,swiss +OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.0002764719511333511,swiss +CCOP(=S)(SCSC(C)(C)C)OCC,0.00034670385697674235,swiss +COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0.0005861906011027885,swiss +CCSCSP(=S)(OCC)OCC,0.0006144925475253195,swiss +CSc1ccc(cc1C)OP(=S)(OC)OC,0.0007185764991867223,swiss +CCOP(=O)(SC(CC)C)SC(CC)C,0.0008210296720157477,swiss +CNC(=O)CSP(=S)(OC)OC,0.000872381733741038,swiss +CCS(=O)CCSP(=O)(OC)OC,0.0008932752807580748,swiss +OC(=O)c1ccccc1.CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C,0.0009918273033473258,swiss +COP(=O)(SCCS(=O)(=O)CC)OC,0.0011437981092748413,swiss 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