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-rw-r--r--test.log11
1 files changed, 1 insertions, 10 deletions
diff --git a/test.log b/test.log
index 158cb5a..a4eece6 100644
--- a/test.log
+++ b/test.log
@@ -8,15 +8,6 @@ Initialize Python Version 2.7.9 (default, Jun 29 2016, 13:11:10)
Trying to get chemical information from RDKit using user SMILES
CCCCCCCCO
......
-Generation of pai objects: alanwood.net:
-Querying glyphosate.html
-PubChem:
-http://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/cids/JSON
-Found 1 entries in PubChem, using the first one.
-http://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/property/MolecularFormula,MolecularWeight,CanonicalSMILES,IsomericSMILES,InChI,InChIKey,IUPACName,XLogP,ExactMass,MonoisotopicMass,TPSA,Complexity,Charge,HBondDonorCount,HBondAcceptorCount,RotatableBondCount,HeavyAtomCount,IsotopeAtomCount,AtomStereoCount,DefinedAtomStereoCount,UndefinedAtomStereoCount,BondStereoCount,DefinedBondStereoCount,UndefinedBondStereoCount,CovalentUnitCount,Volume3D,XStericQuadrupole3D,YStericQuadrupole3D,ZStericQuadrupole3D,FeatureCount3D,FeatureAcceptorCount3D,FeatureDonorCount3D,FeatureAnionCount3D,FeatureCationCount3D,FeatureRingCount3D,FeatureHydrophobeCount3D,ConformerModelRMSD3D,EffectiveRotorCount3D,ConformerCount3D,Fingerprint2D/JSON
-http://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/synonyms/JSON
-Trying to get chemical information from RDKit using PubChem_Canonical SMILES
-C(C(=O)O)NCP(=O)(O)O
-.......
+Generation of pai objects: .........
DONE ===========================================================================

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