[Zinc-fans] Finally, ZINC subsets 3, 6, and 10 are ready for download

John J. Irwin jji at cgl.ucsf.edu
Wed Jul 9 18:05:29 PDT 2008


Dear ZINC-fans:

The following subsets are now ready for download:
* 3 (drug like)
* 6 (all purchasable)
* 10 (everything - includes things like pubchem)

I have exported them as mol2 and NOT as SDF, since the files are just so 
darn huge. It is easy to convert mol2 to SDF, using CDK, 
OEChem/convert.py, OpenBabel, and many other tools.

As always, do let us know if anything is not right, and thanks for your 
patience. If enough people complain about lack of SDF, I'll do something 
about it.

Happy screening!

John
UCSF ZINC Team



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