S33 | SOLUTIONSMLOS | Chemicals used for Modelling in SOLUTIONS

SOLUTIONSMLOS contains the chemicals used for modelling in the SOLUTIONS project (www.solutions-project.eu/), provided by Jaroslav Slobodnik (EI). Dataset DOI: 10.5281/zenodo.2653022. Update 14 Nov 2019: added CSV file. 6 Feb. 2020 CSV with corrected SMILES entries for PubChem import. 6 Nov 2020 structure fix for CAS 111360-16-8 (reported by Leon, PubChem). 17 July 2022: more SMILES fixes, plus one InChIKey change. 18 June 2023: one more SMILES fix (YLMOTKLYENPQLK-VMPITWQZSA-N) in CSV only.