No, this is a known bug with disconnected fragments. The canonical algorithm
does not canonicalize the fragments.
Geoff
> On May 27, 2017, at 4:20 AM, Noel O'Boyle wrote:
>
> Should be the same. Can you provide the files?
>
>> On 27 May 2017 12:51 a.m., "xh s" wrote:
>> In my program I conve
Should be the same. Can you provide the files?
On 27 May 2017 12:51 a.m., "xh s" wrote:
> In my program I convert the molecule ClCCl.O.[Cl-] (from both SMILES and
> OBMol) to canonical SMILES but get two different answers, ClCCl.O.[Cl-] and
> ClCCl.[Cl-].O
>
> My question is, is the order of dis
