Table 2.

2D chemical structures and evaluated docking scores (in kcal/mol) for SirReal2 and nine promising NPAtlas compounds towards SIRT2 protein.

No	NPAtlas code	2D-Chemical structure	Docking score (kcal/mol)a
			Fast	Expensive
	SirReal2		− 11.8	− 12.0
1	NPA009578		− 13.3	− 13.4
2	NPA006805		− 13.1	− 13.2
3	NPA001884		− 13.0	− 13.1
4	NPA023712		− 13.0	− 12.9
5	NPA000470		− 12.9	− 12.9
6	NPA018719		− 12.7	− 12.8
7	NPA023225		− 12.6	− 12.5
8	NPA014478		− 12.5	− 12.4
9	NPA001597		− 12.6	− 12.2

^aData ranked in accordance with the expensive docking scores.