Hello John, we are using ZINC for virtual screening, and there was something wrong with the downloaded mol2 files: some of the carbon atoms in the heterocyclic rings were assigned as c.2 while they should be c.ar. Take ZINC00036084 as an example, C7 and C8 should be c.ar but in the downloaded mol2 file they were labeled as c.2. In our recent works we need the carbon types to be assigned correctly so this troubled me a bit, although it can be easily fixed by OpenBabel.
Would you fix this problem or did you deliberately leave it like this?
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