Datasets:

structure-epflai
/

pubchem-compound

Modalities:

Formats:

Size:

Tags:

molecular-structures

Libraries:

License:

Dataset card Data Studio Files Files and versions

pubchem-compound / source

10.6 GB

Ctrl+K

Ctrl+K

1 contributor

History: 1 commit

rohangautam's picture

Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports

7c57b23 verified 5 days ago

CID-Date.gz

330 MB
xet

Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports 5 days ago
CID-Date.gz.md5

46 Bytes
Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports 5 days ago
CID-InChI-Key.gz

7.37 GB
xet

Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports 5 days ago
CID-InChI-Key.gz.md5

51 Bytes
Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports 5 days ago
CID-Mass.gz

1.39 GB
xet

Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports 5 days ago
CID-Mass.gz.md5

46 Bytes
Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports 5 days ago
CID-SMILES.gz

1.49 GB
xet

Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports 5 days ago
CID-SMILES.gz.md5

48 Bytes
Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports 5 days ago
README-Extras

9.22 kB
Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports 5 days ago
directory-before.html

4.67 kB
Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports 5 days ago
source_metadata_after_download.json

3.54 kB
Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports 5 days ago
source_metadata_before.json

3.94 kB
Add unfiltered PubChem Compound 2026-09-27 compact reference and original CID exports 5 days ago