diff options
| author | mguetlein <martin.guetlein@gmail.com> | 2014-10-10 12:49:41 +0200 |
|---|---|---|
| committer | mguetlein <martin.guetlein@gmail.com> | 2014-10-10 12:49:41 +0200 |
| commit | e30fb8d3a0c7b6244b61b904417ade3f7ad573dc (patch) | |
| tree | 880b8090216944b5dd17de5ea9b1aa16474ad421 | |
| parent | f0f2c5b5d6435f235fbd6520b97daa944fd9df8a (diff) | |
add duplicates to test/data/EPAFHM.medi.csv to make test more challenging and realistic
| -rw-r--r-- | test/data/EPAFHM.medi.csv | 3 |
1 files changed, 3 insertions, 0 deletions
diff --git a/test/data/EPAFHM.medi.csv b/test/data/EPAFHM.medi.csv index 4428fa2..9f8205a 100644 --- a/test/data/EPAFHM.medi.csv +++ b/test/data/EPAFHM.medi.csv @@ -10,6 +10,7 @@ "CCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCC)C=C1", "OCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCOC(=O)C2=CC=CC=C2C(=O)OCCCCO", "CCCSCCCCSCCC",1.45E-02 +"CCCSCCCCSCCC",1.85E-02 "C1([N+](=O)[O-])=CC=C(C)C=C1OP(=O)(OC2=C([N+](=O)[O-])C=CC(C)=C2)OC3=C([N+]([O-])=O)C=CC(C)=C3", "C1=C([N+]([O-])=O)C=CC=C1P(=O)(C2=CC([N+](=O)[O-])=CC=C2)C3=CC([N+](=O)[O-])=CC=C3", "ClCCOC(=O)NC1CCCCC1",1.70E-01 @@ -65,6 +66,7 @@ "C#CC(O)(C)CC",1.24E+01 "C1CCCC(C#C)(O)C1",2.06E+00 "CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC",2.81E-02 +"CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC",1.81E-02 "OCC(C)C",1.93E+01 "CC(Cl)CCl",1.12E+00 "NCC(N)C",1.36E+01 @@ -94,4 +96,5 @@ "OC1=C(C=C(C=C1Cl)Cl)Cl",2.48E-02 "OC1=CC(C(F)(F)F)=C([N+]([O-])=O)C=C1",4.41E-02 "C1(N)=CC=CC=C1C(=O)N",2.90E+00 +"C1(N)=CC=CC=C1C(=O)N",2.50E+00 "OC1=C([N+]([O-])=O)C=CC=C1",1.15E+00 |