Duplicate from molport/In-stock-Database

Co-authored-by: Artis Erglis <artiergl@users.noreply.huggingface.co>

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README.md

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+---
+license: cc-by-nc-4.0
+size_categories:
+- 1M<n<10M
+tags:
+- chemistry
+- molecules
+- smiles
+- screening-compounds
+- building-blocks
+---
+# Molport In-Stock Database
+
+The **Molport In-Stock Database** contains SMILES strings and Molport IDs for all **5.9 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](https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system).
+- **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](https://www.molport.com)
+- Molecules available for purchase either:
+  - Directly via the [Molport website](https://www.molport.com), 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.
+
+## Accessing Molport Data
+
+Molport data can be accessed through multiple options depending on your workflow:
+
+- **Direct file downloads** – ready-to-use files available for immediate use.  
+- **FTP access** – ideal for bulk downloads and automated synchronization.  
+- **Molport API** – programmatic access for integration into cheminformatics pipelines and applications.  
+
+Learn more here: [Molport Database Access Options](https://www.molport.com/shop/database)
+
+### Additional Pre-Filtered Libraries
+
+In addition to the full in-stock datasets, Molport provides more than **18 pre-filtered libraries** tailored for specific research applications, including:
+
+- **Drug-Like Compounds Library**  
+- **Diversity Library**  
+- **Kinase Library**  
+- **GPCR Library**  
+- **Natural Product Library**  
+- **Known Drugs and Clinical Candidates Library**  
+- **DEL Reagents Library**
+
+Explore the full selection: [Molport Compound Libraries](https://www.molport.com/shop/libraries)
+
+## 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**.

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