Batch Export

Export multiple structures or calculation reports in a single operation. This page explains how batch export works on Visual SmallMol and where to do it.

What you can export in batch

For small molecules, batch export means processing multiple SMILES at once and downloading either a summary table (CSV) or a ZIP of PDF reports—one PDF per molecule with molecular weight, logP, TPSA, Lipinski rule of five, and related descriptors. This is useful for screening sets of compounds, comparing properties, or archiving results for many structures.

How to run a batch export

Use the Batch SMILES tool: paste or enter multiple SMILES (one per line or comma-separated, depending on the tool). The tool builds a table with properties for each structure. From there you can download the table as CSV, or optionally generate a ZIP file containing one PDF report per molecule. The 3D Viewer (SMILES to 3D, SDF Upload) exports one structure at a time (PDB, PNG, SDF); for many structures, run Batch SMILES first for the table and PDFs, and use the viewer when you need individual 3D files.

Formats and limits

Batch export produces CSV (table) and optionally PDF (per-molecule reports in a ZIP). For format details and single-structure export options, see Export formats. Rate limits may apply for very large batches; check Pricing or the tool page for current limits.

Export · Export Formats · Batch SMILES · Molecular Properties 3D Viewer