size_categories:100M<n<1B region:us chemistry biology
---
tags:
- chemistry
- biology
size_categories:
- 100M<n<1B
---

114,218,565 samples.

Contains only the unique, RDKit canonicalized SMILES molecules in a CSV format (after extracting), from the PubChem dataset found at https://ftp.ncbi.nlm.nih.gov/pubchem/Compound/CURRENT-Full/. PubChem compounds collected in 30 April 2023.