The structure of a molecule presented as a drawing or a file that contains a description of the topology, stereochemistry, and atomic symbol of its atoms and the bonds connecting them, but no explicit information about its three-dimensional structure.
Source:
PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 240 (https://doi.org/10.1515/pac-2012-1204)