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2D structures
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The downloadable file contains 2D structures as MDL text in an SD file for all released NSCs. The SD file also includes the below compound information. These data can be downloaded individually in separate files, as shown in the Other Compound Identifiers table.
- CAS Number
- PubChem SID
- SMILES Strings
- Chemical Names
Data File Size | Download Size | Link | Version | |
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2D Structures | 515 MB | 66 MB | 2D_Structures.zip | July 2024 |
Other Compound Identifiers
Identifier | File Size | Link | Version |
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CAS Numbers | 3.7 MB | nsc_cas.csv |
July 2024 | ||
PubChem SID & CID | 6.9 MB | nsc_sid_cid.csv |
July 2024 | ||
SMILES Strings | 16 MB | nsc_smiles.csv |
July 2024 | ||
Chemical Names | 12 MB | nsc_chemcal_name.csv |
July 2024 |
Old Versions
NSC_CAS_Sept2013.csv NSC to CAS number. We only have CAS number for 130,893 NSCs.
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