2. Inventory File Preparation

Please follow the recommendations below to ensure seamless transfer of your data to SYTNHIA™.

Data

• A custom inventory may only be uploaded as a CSV or SD file
• The file should only have one column with structures, either in SMILES strings (CSV) or mol format (SD)
• Each compound will need a unique id, such as a catalog number, an inventory number, or any identifier exclusive to its structure
• You may also transfer up to 20 associated data fields for each compound
• All associated data on the inventory file will be transferred to our server as is
• Do not transfer confidential or sensitive data (e.g., full chemical name of proprietary compounds, assay data, etc.)
• Avoid dots and symbols in column headers, as they may create errors during file uploading

Structures

• Only one entry per structure is allowed, please consolidate duplicates if needed
• One unique identifier is required for each structure
• Do not leave salts, hydrates, or other co-substrates in the structure
• Do not include charged molecules
• Nitro, N-oxides, isocyanates or similar functional groups with multiple resonance forms may be depicted in any of the following forms