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path: root/test/data/LOAEL_mmol_corrected_smiles.csv
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-rw-r--r--test/data/LOAEL_mmol_corrected_smiles.csv568
1 files changed, 0 insertions, 568 deletions
diff --git a/test/data/LOAEL_mmol_corrected_smiles.csv b/test/data/LOAEL_mmol_corrected_smiles.csv
deleted file mode 100644
index c6d858b..0000000
--- a/test/data/LOAEL_mmol_corrected_smiles.csv
+++ /dev/null
@@ -1,568 +0,0 @@
-SMILES,LOAEL mmol/kg_bw/day
-C1=C(C(=CC(=C1NN=C3C2=C(C=C([S]([O-])(=O)=O)C=C2)C=CC3=O)OC)[S]([O-])(=O)=O)C.[Na+].[Na+],0.007531928608839286
-O1C(=O)C(O)=C(O)C1C(O)CO,0.017323010613197083
-C1(C)=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)OC)C(C)(C)CCC1,0.0011194097182405476
-c(cccc1)(c1)C(C)C,0.003843863272285792
-O=C(OCCCC)c(c(ccc1)C(=O)OCCCC)c1,0.0021556100397968547
-O=C(OCC)c(c(ccc1)C(=O)OCC)c1,0.019956158547022596
-O=C(OC(OC(OC1C)C)C1)C,0.0007175892491582414
-Oc(c(ccc1)C)c1C,4.911414454620217e-05
-Oc(ccc(c1C)C)c1,0.00011459967060780387
-O=C(OCC)C=C,0.002477130986890969
-c(cccc1)(c1)CC,0.00384307445956764
-OCCO,0.004027850816139285
-c(ccc1C(=O)OCC(=O)OCC)cc1C(=O)OCC,0.008919866912731327
-O=C,0.002730968314772715
-O=C(O)C=CC(=O)O,0.009313172081918767
-OCC(O)CO,0.07473899985905673
-O=C(OC)c(ccc(O)c1)c1,0.009858865736182571
-O=C(OCCC)c(ccc(O)c1)c1,0.008324062177858799
-CC(CCC(=O)(O))C3CCC4C2CCC1CC(O)CCC1(C)C2CCC34C,0.001327765217118838
-OC(C(CCC1C)C(C)C)C1,0.0037948308388560167
-O=C(O)C(=C)C,0.0028807316686731447
-O=C(OC)c(c(O)ccc1)c1,0.002366127776683785
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-c(cccc1)(c1)C=C,0.00020163396483810836
-O=Cc(occ1)c1,0.0006244532131552316
-NCCNc1cccc2ccccc12,0.00042415433290295584
-CN(C)(C)CCCl,0.002242766507128513
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-c(ccc(c1)Cl)(c1)C(c(ccc(c2)Cl)c2)C(Cl)(Cl)Cl,9.027148189044099e-05
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