diff options
Diffstat (limited to 'data/swiss_log10.csv')
| -rw-r--r-- | data/swiss_log10.csv | 494 |
1 files changed, 494 insertions, 0 deletions
diff --git a/data/swiss_log10.csv b/data/swiss_log10.csv new file mode 100644 index 0000000..fa57c10 --- /dev/null +++ b/data/swiss_log10.csv @@ -0,0 +1,494 @@ +SMILES,LOAEL +N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,3.8697627521147706 +Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,3.6948421712135144 +OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,3.558351987474352 +CCOP(=S)(SCSC(C)(C)C)OCC,3.4600461583436033 +COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,3.2319615946008633 +CCSCSP(=S)(OCC)OCC,3.211485180279816 +CSc1ccc(cc1C)OP(=S)(OC)OC,3.14352487453815 +CCOP(=O)(SC(CC)C)SC(CC)C,3.085640973700997 +CNC(=O)CSP(=S)(OC)OC,3.0592942995229597 +CCS(=O)CCSP(=O)(OC)OC,3.0490123894936456 +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,3.003562759689381 +COP(=O)(SCCS(=O)(=O)CC)OC,2.9416499077893463 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