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. Author manuscript; available in PMC: 2015 Jun 29.
Published in final edited form as: J Biomol Struct Dyn. 2014 Jul 11;33(5):1140–1152. doi: 10.1080/07391102.2014.932310

Table 1.

Consensus top-scoring molecules and their scores.

Chembridge ID Structural formula Autodock 4 (kcal/mol) Autoock Vina (kcal/mol) eHiTS (kcal/mol)
41070361 graphic file with name nihms701623t1.jpg −9.2 −8.3 −5.3
21049419 graphic file with name nihms701623t2.jpg −8.9 −7.0 −5.6
85971922 graphic file with name nihms701623t3.jpg −8.1 −7.3 −5.1
54166233 graphic file with name nihms701623t4.jpg −7.8 −7.9 −6.1
67411088 graphic file with name nihms701623t5.jpg −7.5 −6.9 −5.1
41055215 graphic file with name nihms701623t6.jpg −7.1 −8.5 −5.3
25106170 graphic file with name nihms701623t7.jpg −7.0 −6.0 −5.0
54167736 graphic file with name nihms701623t8.jpg −6.7 −6.7 −5.1
40201997 graphic file with name nihms701623t9.jpg −6.5 −5.9 −5.2
42644077 graphic file with name nihms701623t10.jpg −6.4 −7.0 −5.7
Agonist graphic file with name nihms701623t11.jpg −8.6 −7.4 −6.5