size_categories:10M<n<100M chemistry biology region:us
---
tags:
- chemistry
- biology
size_categories:
- 10M<n<100M
---

49,999,990 samples.

Contains only the unique, RDKit canonicalized SMILES molecules in a CSV format (after extracting), from the original "GDB-17-Set" dataset found at https://gdb.unibe.ch/downloads/.