[Zinc-fans] About ZINC database Schema.

[John J. Irwin]

Hi Yasset

Thanks for your interest in ZINC, and for your question. Yes, compounds
with a single original supplier catalog number may legitimately
correspond to two or more ZINC IDs. For example, a supplier might sell a
racemate of two stereoisomers. This normally corresponds to two distinct
chemical compounds that must be represented using two distinct ZINC IDs.

There are other examples, unfortunately, where we have mistakenly
generate two ZINC IDs for compounds that are really the same. We aim to
fix all of these problems.

John


yasset perez riverol wrote:
> Hi,
> I've a new quetion about ZINC database. I noticed that some compounds
> with different ZINC key have a unique Catalog Key in their original
> database. Are these compounds differents?
>       Thanks in advance
> Yasset          
>
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