TABLE 3.

The docking clusters along with conformers and docking energies^a

Compound	Cluster rank	No. of conformers	Docking energy (kcal/mol)
NSC19723	1	57	−7.02
	2	54	−6.55
	3	42	−6.54
Thiacetazone	1	34	−6.54
	2	25	−6.28
	3	22	−6.08

^aThe first cluster (bold) is chosen for further analysis.