1 files changed, 92 insertions, 0 deletions
diff --git a/test/data/EPAFHM.medi_log10.csv b/test/data/EPAFHM.medi_log10.csv
new file mode 100644
index 0000000..f67173b
--- /dev/null
+++ b/test/data/EPAFHM.medi_log10.csv
@@ -0,0 +1,92 @@
+STRUCTURE_SMILES,-log10(LC50_mmol)
+C1=CC(C=O)=CC(OC)=C1OCCCCCC,1.9469215565165803
+C1(OC)=C([N+]([O-])=O)C(C=O)=CC(Br)=C1O,0.575118363368933
+C1=CC(Cl)=CC=C1OC2=C([N+](=O)[O-])C=CC=C2,2.114073660198569
+CC1=C(NC=O)C=CC=C1Cl,0.5606673061697374
+CCCCOC(=O)C1=CC=CC(C(=O)OCCCC)=C1,2.490797477668897
+C(C1=CC=CC=C1)(C2=CC=CC=C2)(O)C#C,1.2732727909734278
+CCCSCCSCCC,1.3746875490383261
+CCCSCCCCSCCC,1.8386319977650252
+CCCSCCCCSCCC,1.7328282715969863
+ClCCOC(=O)NC1CCCCC1,0.7695510786217261
+O=C1C(C2=CC=CC=C2)(C(=O)NC(=O)N1)CC,-0.31806333496276157
+OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],1.2276782932770802
+NC(=O)OCC,-1.7693773260761385
+[O-]C(C1=CC=CC=C1O)=O.[Na+],-1.0969100130080565
+C1=CC=CC=C1C(=O)N,-0.7371926427047373
+CC[N+](CC)(CC)CC1(=CC=CC=C1).[Cl-],0.1505805862031006
+CN(C)N,0.8827287043442358
+CC(C(C(NC([O-])=N1)=O)(C1=O)CC)CCC.[Na+],0.7011469235902933
+N1C(=O)C(CC)(CCC(C)C)C(=O)NC1=O,0.42365864979420714
+O=C1C2=C(N=CN2C)N(C(=O)N1C)C,0.10902040301031106
+C1=CC=C2C(=C1)C(=O)C(C)=CC2=O,3.1944991418415998
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+CC(Cl)(Cl)Cl,0.4497716469449059
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+CC#N,-1.6031443726201824
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+IC(I)I,2.129596094720973
+[N+](C)(C)(C)C.[Cl-],-0.6253124509616739
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+ClC(C(Cl)Cl)Cl,0.9172146296835499
+C1(C)(C)CCCC(C)=C1C=CC(C)=O,1.576754126063192
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+OC1=C([N+]([O-])=O)C=CC=C1,-0.06069784035361165