[Zinc-fans] Same IDs for molecules

Lena Dolghih dolghin at qtp.ufl.edu
Mon Jun 18 11:41:03 PDT 2007


Hi,

	I downloaded a subset of molecules in sdf, mol2 and smiles formats. 
There are quite a few cases when both mol2 and sdf files have more then one 
entry with the same name and ID. 
	
	When i go back and search database for that ID, i get only one molecule.
Also if i download the mol2 file for just that molecule (instead of downloading 
the file with the whole subset) - i see only one entry.

If the two compounds with the same ID are tautomers then why do I not see both 
of them when i download the file individually?

Also, is there a way to pick just one? 

lena



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