Compare molecules using InChI (k)ΒΆ

A utility format that allows you to compare molecules using their InChIs

The first molecule is compared with the rest, e.g.:

babel first.smi second.mol third.cml -ok

This is the same as using -oinchi -xet and can take the same options as InChI format (see InChI format (inchi)).


This is a write-only format.