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Welcome to the second blog in the 10 part Cheminformatics for Beginners series. In the last blog, we saw a quick introduction to the SMILES notation. This post will introduce you to the mol2 format in cheminformatics. Introduction One major setback from the SMILES notation was that it could not provide the positions of each atom in space, typically with X, Y, and Z cartesian coordinates. Mol2 file solves this problem. It is a plain text tabular format that represents a single or multiple chemica...