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author | Christoph Helma <helma@in-silico.ch> | 2011-03-11 14:29:13 +0100 |
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committer | Christoph Helma <helma@in-silico.ch> | 2011-03-11 14:29:13 +0100 |
commit | 96d500e9691eedbfdd57ec35a2572b59641377f3 (patch) | |
tree | 211391f36e269bf36ca09d54aab0d93ababfa412 /data/hamster_carcinogenicity.mini.csv | |
parent | 5f243f1e9e0a8e12cd8a2267bcec3140d21bf445 (diff) | |
parent | 7cd9c9656010b88b7e41477e1571cb7e722650c4 (diff) |
Merge branch 'release/v1.0.1'v1.0.1
Diffstat (limited to 'data/hamster_carcinogenicity.mini.csv')
-rw-r--r-- | data/hamster_carcinogenicity.mini.csv | 11 |
1 files changed, 11 insertions, 0 deletions
diff --git a/data/hamster_carcinogenicity.mini.csv b/data/hamster_carcinogenicity.mini.csv new file mode 100644 index 0000000..4267235 --- /dev/null +++ b/data/hamster_carcinogenicity.mini.csv @@ -0,0 +1,11 @@ +SMILES, Hamster Carcinogenicity
+CC=O,1
+C12C3=C(C=CC=C3)CC1=CC(=CC=2)NC(C)=O,1
+O=C(N)\C(C2=CC=CO2)=C/C1=CC=C([N+]([O-])=O)O1,1
+C1(N=CNN=1)N,0
+Br(=O)(=O)[O-].[K+],1
+[Cl-].[Cd+2].[Cl-],0
+O=S(=O)([O-])[O-].[Cd+2],0
+ClC1=CC(=NC(=N1)SCC(=O)O)NC2=CC=CC(=C2C)C,0
+ClCOC,1
+C=C(Cl)C=C,0
|