Table 2. Summary statistics describing the CSAR dataset.

	Min	Max	Mean	Median
# of protein residues	119	2228	495	366
# of protein atoms	1756	32736	7664	5661
# of ligand atoms	9	118	42	37
ligand molecular weight	59.1	779	332	304
# of ligand rotatable bonds	0	27	6	5
# of ligand H-bond acceptors	1	24	7	6
# of ligand H-bond donors	0	14	3	3
LogP	−44.9	9.2	−4.6	−1.0
Tight waters	0	8	1	1
Loose waters	0	19	3	3