1. Centre
for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, United Kingdom
2. Worldwide
Medicinal Chemistry, Pfizer NPRU, The Portway Building, Granta Park,
Great Abington, Cambridge, CB21 6GS, United Kingdom
3. Institute
of General, Inorganic and Theoretical Chemistry, University of Innsbruck, Innrain 82, 6020 Innsbruck, Austria