1. Institute of Chemical Research of Catalonia (ICIQ), The Barcelona Institute of Science and Technology, 43007 Tarragona, Spain
2. Universitat Rovira i Virgili, Departament de Química Orgànica, 43007 Tarragona, Spain
3. Department of Chemistry, UiT The Arctic University of Norway, N-9307 Tromsø, Norway
4. Data Science & Modelling, Pharmaceutical Sciences, R&D, AstraZeneca Gothenburg, SE-431 83 Mölndal, Sweden
5. ICREA, 08010 Barcelona, Spain