Table 1.

The chemical structures and docking results of 17 Hits.

Compounds	ZINC ID	Chemical Structure	FRED Score	FRED Rank	Vina Score	Vina Rank	MOE Score	MOE Rank	MVD Score	MVD Rank
1.	ZINC04914424		−89.32	1	−13.74	2	−23.65	5	−90.05	8
2.	ZINC17090251		−85.29	2	−13.93	1	−20.23	11	−81.23	24
3.	ZINC04914300		−84.08	3	−12.77	3	−19.01	24	−74.56	41
4.	ZINC16000225		−82.55	5	−12.34	7	−23.44	8	−89.88	11
5.	ZINC49717234		−80.65	10	−12.56	5	−26.88	1	−90.89	4
6.	ZINC00785143		−80.26	11	−12.58	4	-20.05	15	−77.73	35
7.	ZINC09345795		−79.69	13	−11.52	48	−18.98	29	−89.09	12
8.	ZINC18200859		−79.68	14	−11.81	26	−20.11	12	−80.6	29
9.	ZINC49717263		−79.25	16	−12.48	12	−22.65	9	−85.64	17
10.	ZINC62240601		−77.64	23	−12.10	10	−16.01	55	−72.65	46
11.	ZINC40159471		−76.00	29	−11.66	35	−24.59	4	−91.05	2
12.	ZINC31819567		−75.81	30	−12.33	8	−15.05	89	−90.85	5
13.	ZINC05604236		−75.50	34	−11.68	33	−15.9	63	−81.24	25
14.	ZINC31839368		−75.19	36	−11.88	20	−15.55	71	−80.56	30
15.	ZINC33462852		−75.05	37	−12.48	6	−16.23	45	−90.01	9
16.	ZINC04214135		−74.89	38	−11.58	41	−19.89	18	−74.22	42
17.	ZINC04914400		−74.84	39	−11.85	22	−19.23	21	−85.22	19