diff options
Diffstat (limited to 'regression/common-test.csv')
| -rw-r--r-- | regression/common-test.csv | 392 |
1 files changed, 392 insertions, 0 deletions
diff --git a/regression/common-test.csv b/regression/common-test.csv new file mode 100644 index 0000000..864c4e6 --- /dev/null +++ b/regression/common-test.csv @@ -0,0 +1,392 @@ +SMILES,LOAEL +O=Cc1ccco1,0.624453213155231 +CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.18534506246313948 +CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.17607780933998252 +CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.24799169923196304 +CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.2557761861991325 +COCN(c1c(CC)cccc1CC)C(=O)CCl,0.05560351873894184 +COCN(c1c(CC)cccc1CC)C(=O)CCl,0.05189661748967905 +COCN(c1c(CC)cccc1CC)C(=O)CCl,0.009267253123156974 +COCN(c1c(CC)cccc1CC)C(=O)CCl,0.4670695574071115 +CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.009924832004782804 +CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.04157699893895499 +COC(=O)NS(=O)(=O)c1ccc(cc1)N,0.7817895162025876 +COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.0011344859332252924 +COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.0070905370826580775 +COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.00813048252144793 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