[Zinc-fans] Clean druglike subset

[John J. Irwin]

Hi Jasmit

Thanks for your email and your interest in subset #13 "clean drug
like".  I have exported a fresh, cleaned up copy of this ZINC subset
which is now  ready for downloading at
http://zinc.docking.org/subset1/13/index.html.
<http://zinc.docking.org/subset1/13/index.html>  There are 6,220,335
molecules in this subset.

Property and suppliers files ARE in tab delimited format. They are
called .xls, but they are tab delimited. Excel cannot load more than 64K
rows. We will probably change this as some point since it confuses
people.  For now, just save and then use your favorite tools
vi/grep/awk/emacs to get the rows you need.

Hope this helps.

Good luck.

John
UCSF ZINC Team


jasmit wrote:
>
> Hi everyone
>
>  
>
> I have downloaded the clean druglike collection (subst #13) as SDFs
> -it claims there are 6.2M compounds. When I concatenate SDFs – I only
> have 3M cpds?? Any help? Also is it possible to obtain property &
> suppliers files in tab del
>
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