Table 1.

Compound selection criteria.

Selection criteria	Definition
Absence of unwanted functionalities:	No unwanted groups (see supplementary material)
Lead-like properties:	10–27 heavy atoms
	<4 hydrogen-bond donors
	<7 hydrogen-bond acceptors
	0 <(hydrogen-bond donors + hydrogen bond acceptors)<10
	0–4 ClogP/ClogD
	If the compound contains only one ring system at least one atom has to be outside the ring.
Limited complexity:	<8 rotatable bonds
	<5 ring systems
	No ring systems with more than two fused rings