diff options
| author | Christoph Helma <helma@in-silico.ch> | 2015-10-08 10:43:43 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2015-10-08 10:43:43 +0200 |
| commit | 1a56148aadef031c4f487bc23fda43f4ac5b7369 (patch) | |
| tree | 3555c5883ed0c292b105c40c185ebba3e5bd4e3e /test/data/hamster_carcinogenicity.mini.bool_float.csv | |
| parent | 394d564699756288569169ff3e198d6d7702f092 (diff) | |
| parent | e3217075b602a950a0ee995fcfa731d97b5ba3eb (diff) | |
new master branch
Diffstat (limited to 'test/data/hamster_carcinogenicity.mini.bool_float.csv')
| -rw-r--r-- | test/data/hamster_carcinogenicity.mini.bool_float.csv | 11 |
1 files changed, 11 insertions, 0 deletions
diff --git a/test/data/hamster_carcinogenicity.mini.bool_float.csv b/test/data/hamster_carcinogenicity.mini.bool_float.csv new file mode 100644 index 0000000..85bf66b --- /dev/null +++ b/test/data/hamster_carcinogenicity.mini.bool_float.csv @@ -0,0 +1,11 @@ +SMILES, Hamster Carcinogenicity
+CC=O,1.0
+C12C3=C(C=CC=C3)CC1=CC(=CC=2)NC(C)=O,1.0
+O=C(N)\C(C2=CC=CO2)=C/C1=CC=C([N+]([O-])=O)O1,1.0
+C1(N=CNN=1)N,0.0
+Br(=O)(=O)[O-].[K+],1.0
+[Cl-].[Cd+2].[Cl-],0.0
+O=S(=O)([O-])[O-].[Cd+2],0.0
+ClC1=CC(=NC(=N1)SCC(=O)O)NC2=CC=CC(=C2C)C,0.0
+ClCOC,1.0
+C=C(Cl)C=C,0.0
|