Re: [Cdk-devel] [Cdk-user] SMILES Test

[Egon W. <ego...@gm...>]

Hej Asad,

On Tue, Mar 22, 2011 at 10:35 AM, Syed Asad Rahman <as...@eb...> wrote:
> I got an error while processing a SMILES string (mentioned below)
>
> smiles=
> "C1C(CC(=O)C(C1(CC(CC(CC(=O)S[R])=O)=O)O)C(CC(CC(CC(CC)=O)=O)=O)=O)=O"

<snip>

> I was wondering if this a valid error?

It seems a valid error... it's likely the [R]... the Daylight Depict
also reports this is not a SMILES string, but SMARTS/SMIRKS...

Egon

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Karolinska Institutet
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