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- ---
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- license: cc-by-nc-4.0
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- ---
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ ---
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+ license: cc-by-nc-4.0
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+ size_categories:
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+ - 100K<n<1M
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+ tags:
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+ - chemistry
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+ - molecules
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+ - smiles
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+ - building-blocks
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+ - synthesis
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+ ---
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+ # Molport In-Stock Building Blocks Database
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+
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+ The **Molport In-Stock Building Blocks Database** contains SMILES strings and Molport IDs for over **800,000 building blocks** that are currently available for purchase. These compounds represent a diverse collection of reagents and intermediates designed to support **medicinal chemistry, drug discovery, and custom synthesis workflows**.
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+
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+ ## Contents
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+ - **SMILES** – The molecular structure in [SMILES notation](https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system).
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+ - **SMILES_CANONICAL** – Canonicalized SMILES representation.
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+ - **MOLPORTID** – Unique Molport identifier for each compound.
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+
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+ ## Scope
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+ This dataset includes:
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+ - **All in-stock building blocks** listed at [molport.com](https://www.molport.com)
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+ - Molecules available for purchase either:
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+ - Directly via the [Molport website](https://www.molport.com), or
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+ - By contacting our sales team at **sales@molport.com**.
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+
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+ ## Update Frequency
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+ - Files are updated on a **monthly basis** to reflect the latest in-stock availability.
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+
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+ ## Licensing
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+ - Licensed under **CC BY-NC 4.0** — you may use this dataset for internal, non-commercial purposes with attribution to Molport.
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+ - Commercial resale, redistribution, or inclusion in commercial offerings is **prohibited**.