This all explains a lot. Thanks very much, Brian and Peter!

On Wed, Jan 18, 2017 at 6:05 PM, Peter S. Shenkin <shen...@gmail.com> wrote:

> In addition to Brian's observation, there is also a "C1" early in the
> SMILES, but no corresponding X1 to make a ring bond before or after it.
>
> It appears that you might be reading the second half of a SMILES for some
> reason. My guess is that the (C=C1) is associated with a preceding atom
> that was not read.
>
> -P
>
> On Wed, Jan 18, 2017 at 6:32 PM, Brian Kelley <fustiga...@gmail.com>
> wrote:
>
>> That doesn't look like a valid SMILES to me, I don't think a think a
>> smiles string can start with a parenthesis ( branch ).
>>
>> ----
>> Brian Kelley
>>
>> On Jan 18, 2017, at 6:18 PM, Larson Danes <lgda...@gmail.com> wrote:
>>
>> Hi all,
>>
>> I'm using the following query in postgresql (with the rdkit extension
>> installed):
>>
>> "select casrn from mols where m @> CAST(? AS mol)"
>>
>>
>> This returns "ERROR: could not create molecule from SMILES '...' " on 
>> occasion. One such SMILE that causes this error regularly is 
>> '(C=C1)[N+]([O-])=O'. I'm curious if there's documentation on this specific 
>> error message anywhere. I've looked and haven't had luck finding any.
>>
>> Any information about this error message is much appreciated.
>>
>>
>> Thanks,
>>
>>
>> Larson
>>
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