metadata
license: cc-by-nc-4.0
size_categories:
- 1M<n<10M
tags:
- chemistry
- molecules
- smiles
- screening-compounds
- building-blocks
Molport Full In-Stock Database
The Molport Full In-Stock Database contains SMILES strings and Molport IDs for all 5.7 million in-stock molecules, covering both screening compounds and building blocks that are currently available for purchase.
Contents
- SMILES – The molecular structure in SMILES notation.
- SMILES_CANONICAL – Canonicalized SMILES representation.
- MOLPORTID – Unique Molport identifier for each compound.
Scope
This dataset includes:
- All screening compounds and building blocks listed as in-stock at molport.com
- Molecules available for purchase either:
- Directly via the Molport website, or
- By contacting our sales team at sales@molport.com.
Update Frequency
- Files are updated on a monthly basis to reflect the latest in-stock availability.
Licensing
- Licensed under CC BY-NC 4.0 — you may use this dataset for internal, non-commercial purposes with attribution to Molport.
- Commercial resale, redistribution, or inclusion in commercial offerings is prohibited.