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Published September 20, 2018 | Version NORMAN-SLE-S32.0.1.4
Dataset Open

S32 | REACH2017 | >68,600 REACH Chemicals

  • 1. EI, Uni Athens
  • 2. EI

Contributors

  • 1. LCSB, Uni Luxembourg

Description

This is the collection associated with list S32 REACH2017 on the NORMAN Suspect List Exchange.

https://www.norman-network.com/nds/SLE/

S32 | REACH2017 | >68,600 REACH Chemicals

A list of >68,600 REACH chemicals including InChIKeys and spectral information, provided by N. Alygizakis and J. Slobodnik, EI. 

Update 14 Nov 2019: added CSV. Feb 6th, 2020: edited SMILES in CSV to remove \\ (fixed_SMILES column); edited more SMILES. Nov 6, 2020: fixed entry for (2H5)benzoic acid based on feedback from PubChem.

Notes

This dataset is currently in an uncurated state ...

Files

REACH2017_fixedSMILES.csv

Files (43.8 MB)

Name Size Download all
md5:58a926d09b79002d82defede89f8de94
16.0 MB Download
md5:a1ebd76c66e821518a1c0b5e24cc6ec9
25.9 MB Preview Download
md5:a88a89517a00774dc633a98c29dd5d3e
1.9 MB Preview Download