The main purpose of this script is structure extraction, salt removal, and standardization. Structure standardization was based on the ChEMBL structure pipeline Python package. The complete cleanup failed with the original pipeline for specific structures (when a salt was given without a dot in the structure) and required an additional initial salt removal step and a second cleanup run. The cleaned and standardized structure is used for calculating other structural information such as canonical and, if available, isomeric SMILES, InChI, InChIKey, LogP, and monoisotopic mass. This mass is used during the automatic library generation. Optionally, additional information, such as whether a compound is considered a natural product or used as a drug, can be gathered from other databases based on a name, database identifier, or structure search in PubChem, ChEMBL, or other public resources. Queries can be easily turned off or implemented in the Python code. In our code, all databases that require a local file are deactivated by default.