From 23ecfc6fa5ae4913e5cd17b7d58432d1f88d780c Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Mon, 10 Aug 2015 09:48:57 +0200 Subject: transfer to new git project started --- test/data/hamster_carcinogenicity.mini.bool_string.csv | 11 +++++++++++ 1 file changed, 11 insertions(+) create mode 100644 test/data/hamster_carcinogenicity.mini.bool_string.csv (limited to 'test/data/hamster_carcinogenicity.mini.bool_string.csv') diff --git a/test/data/hamster_carcinogenicity.mini.bool_string.csv b/test/data/hamster_carcinogenicity.mini.bool_string.csv new file mode 100644 index 0000000..514cdfc --- /dev/null +++ b/test/data/hamster_carcinogenicity.mini.bool_string.csv @@ -0,0 +1,11 @@ +SMILES, Hamster Carcinogenicity +CC=O,true +C12C3=C(C=CC=C3)CC1=CC(=CC=2)NC(C)=O,true +O=C(N)\C(C2=CC=CO2)=C/C1=CC=C([N+]([O-])=O)O1,true +C1(N=CNN=1)N,false +Br(=O)(=O)[O-].[K+],true +[Cl-].[Cd+2].[Cl-],false +O=S(=O)([O-])[O-].[Cd+2],false +ClC1=CC(=NC(=N1)SCC(=O)O)NC2=CC=CC(=C2C)C,false +ClCOC,true +C=C(Cl)C=C,false -- cgit v1.2.3