substructure matching with attachments

 

Hi,

Does substructure matching work when an sdf file is searched with a scaffold with R1 and R2 or A's for any atom or X?

I find that the query substructure is present in the hits but there are attachment at points other than R1, R2 etc. that should not be there. 

Sorry for the late reply. I didn't see this until today.

There's not currently any way to do this other than to add Hs on the atoms where additional substitutions shouldn't be allowed.

It may be possible to add this feature to a future version of the RDKit nodes.

-greg