Carbon Atlas
Computed and measured properties for small organic molecules, including conformers and descriptors.
SDFCSVJSON
Collection notes →● DATA COLLECTIONS
Evidence that can
be used again.
Find structured collections for molecular properties, reactions, spectra, and materials.
CATALOG SNAPSHOT
42Collections
18.6MMolecular records
12Data formats
Reaction Pathways
Atom-mapped transformations with conditions, yields, catalyst families, and reaction classes.
SMILESCSVJSON
Collection notes →Spectral Commons
Curated NMR, infrared, Raman, and mass spectra with acquisition metadata.
JCAMPMGFCSV
Collection notes →Crystal & Interface Bank
Crystal structures, defects, surfaces, adsorption geometries, and calculated energies.
CIFXYZJSON
Collection notes →