[Cdk-user] not getting the title from an SD file

[Rajarshi G. <rg...@in...>]

Hi, I'm using the following code to read in an SD file from a String:

            MDLReader reader = new MDLReader(new StringReader(sdf));
            ChemFile chemfile = (ChemFile) reader.read(new ChemFile());
            IChemSequence seq = chemfile.getChemSequence(0);
            IChemModel model = seq.getChemModel(0);
            IMoleculeSet moleculeSet = model.getMoleculeSet();
            IMolecule molecule = moleculeSet.getMolecule(0);

(I've attached the SD file to this mail).

However when I do

molecule.getProperty(CDKConstants.TITLE) it gives me a null rather than
the expected title.

Am I doing something wrong here?
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Rajarshi Guha <rg...@in...>
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