Would it just be an extra loop over the mol bundle of the enumerated query? That sounds fairly straightforward and mostly just extra book-keeping.

Would it just be an extra loop over the mol bundle of the enumerated query? That sounds fairly straightforward and mostly just extra book-keeping.

There's one other step for dealing with the tautomers (and we'll have to add the option to deal with tautomer-insensitive search), but it shouldn't be so bad.

I think I can take this one on at around the same time that I look into adding multi-threading (need to create the issue for that still). It's a good excuse to get more familiar with what the code is doing.