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2019-nCoV

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D3DockingVS

Job Title:title_200819100138

Job File:Molecule2020-8-17-199.sdf

File link:download

Score:

Mol Id	RdRp	Pocket	S protein-Open	Pocket
MOL_45	-9.51	Pocket4	-9.79755116	Pocket6
MOL_12	-9.36	Pocket4	-9.66239166	Pocket7
MOL_16	-9.19	Pocket1	-9.75174522	Pocket6
MOL_14	-9.05	Pocket4	-10.4320145	Pocket6
MOL_44	-9.02	Pocket4	-9.54303551	Pocket2
MOL_11	-9.01	Pocket2	-10.383359	Pocket2
MOL_47	-8.98	Pocket4	-9.48345089	Pocket6
MOL_9	-8.76	Pocket2	-9.81330013	Pocket7
MOL_40	-8.73	Pocket4	-9.61337471	Pocket6
MOL_37	-8.7	Pocket4	-9.45786095	Pocket6
MOL_15	-8.64	Pocket4	-9.6452055	Pocket1
MOL_18	-8.59	Pocket3	-9.38623619	Pocket1
MOL_3	-8.59	Pocket4	-9.54456425	Pocket8
MOL_91	-8.56	Pocket4	-8.96130371	Pocket2
MOL_6	-8.48	Pocket2	-9.88884258	Pocket2
MOL_4	-8.42	Pocket4	-8.71934414	Pocket2
MOL_95	-8.29	Pocket4	-8.69247437	Pocket2
MOL_10	-8.25	Pocket2	-8.76778221	Pocket2
MOL_76	-8.23	Pocket4	-8.53068066	Pocket1
MOL_52	-7.94	Pocket2	-8.47771835	Pocket2
MOL_39	-7.9	Pocket4	-8.46940899	Pocket2
MOL_78	-7.87	Pocket3	-8.70144558	Pocket1
MOL_2	-7.87	Pocket4	-8.7350235	Pocket2
MOL_50	-7.87	Pocket4	-8.42761326	Pocket7
MOL_34	-7.87	Pocket4	-8.7767477	Pocket2
MOL_46	-7.86	Pocket4	-8.72445297	Pocket8
MOL_48	-7.83	Pocket4	-8.2086544	Pocket6
MOL_35	-7.82	Pocket2	-8.78803349	Pocket8
MOL_20	-7.76	Pocket4	-8.6260643	Pocket1
MOL_5	-7.76	Pocket2	-8.82240677	Pocket8
MOL_1	-7.74	Pocket4	-9.27436924	Pocket2
MOL_60	-7.72	Pocket3	-8.47067451	Pocket2
MOL_51	-7.71	Pocket4	-8.73750496	Pocket6
MOL_89	-7.7	Pocket4	-8.80913353	Pocket8
MOL_28	-7.69	Pocket4	-8.61579895	Pocket6
MOL_41	-7.69	Pocket3	-8.64968681	Pocket1
MOL_8	-7.65	Pocket3	-7.91827917	Pocket6
MOL_30	-7.63	Pocket3	-8.76343632	Pocket6
MOL_49	-7.62	Pocket4	-7.99754	Pocket6
MOL_13	-7.61	Pocket3	-9.05494976	Pocket8
MOL_17	-7.56	Pocket4	-8.55090046	Pocket1
MOL_7	-7.55	Pocket3	-8.87900257	Pocket7
MOL_61	-7.49	Pocket3	-8.45450974	Pocket2
MOL_99	-7.47	Pocket2	-8.12633133	Pocket2
MOL_92	-7.47	Pocket4	-8.01814556	Pocket8
MOL_64	-7.45	Pocket7	-7.88928413	Pocket6
MOL_62	-7.44	Pocket3	-8.57483101	Pocket2
MOL_19	-7.4	Pocket4	-8.39276028	Pocket2
MOL_21	-7.36	Pocket19	-7.93906784	Pocket2
MOL_75	-7.35	Pocket20	-7.95248413	Pocket2
MOL_73	-7.34	Pocket2	-7.88728666	Pocket8
MOL_22	-7.34	Pocket2	-8.11022663	Pocket2
MOL_83	-7.33	Pocket1	-7.7256546	Pocket2
MOL_84	-7.33	Pocket3	-7.89246464	Pocket11
MOL_38	-7.31	Pocket1	-8.06955242	Pocket8
MOL_56	-7.31	Pocket4	-8.20784569	Pocket6
MOL_42	-7.3	Pocket4	-9.0638752	Pocket6
MOL_80	-7.25	Pocket20	-8.14090061	Pocket8
MOL_55	-7.22	Pocket10	-8.50078487	Pocket7
MOL_43	-7.21	Pocket10	-9.11973286	Pocket6
MOL_31	-7.2	Pocket3	-7.92758989	Pocket8
MOL_27	-7.2	Pocket10	-8.69840527	Pocket7
MOL_54	-7.14	Pocket3	-8.22219276	Pocket7
MOL_57	-7.11	Pocket4	-8.45392609	Pocket6
MOL_58	-7.09	Pocket4	-7.55515814	Pocket8
MOL_67	-7.09	Pocket5	-7.57609987	Pocket11
MOL_71	-7.04	Pocket5	-7.96757603	Pocket11
MOL_68	-7.04	Pocket5	-8.3033886	Pocket11
MOL_23	-7.03	Pocket3	-8.18483829	Pocket8
MOL_85	-7.03	Pocket7	-7.96354198	Pocket8
MOL_74	-7.03	Pocket20	-7.95445347	Pocket6
MOL_82	-7.01	Pocket23	-7.71398211	Pocket1
MOL_96	-7	Pocket20	-7.80383825	Pocket6
MOL_81	-6.98	Pocket5	-8.00457668	Pocket6
MOL_53	-6.96	Pocket4	-7.56286287	Pocket8
MOL_94	-6.95	Pocket2	-7.8505969	Pocket8
MOL_86	-6.93	Pocket23	-7.89505386	Pocket11
MOL_29	-6.93	Pocket2	-7.99476624	Pocket2
MOL_90	-6.89	Pocket7	-7.93964005	Pocket8
MOL_26	-6.89	Pocket3	-7.27597761	Pocket1
MOL_32	-6.89	Pocket2	-7.58069849	Pocket6
MOL_36	-6.88	Pocket4	-8.05228806	Pocket2
MOL_77	-6.85	Pocket7	-7.74497223	Pocket8
MOL_69	-6.84	Pocket23	-7.5933547	Pocket11
MOL_97	-6.84	Pocket20	-7.48268843	Pocket6
MOL_70	-6.79	Pocket10	-7.49222279	Pocket11
MOL_87	-6.76	Pocket4	-7.64856625	Pocket11
MOL_65	-6.76	Pocket23	-7.18623686	Pocket6
MOL_59	-6.76	Pocket2	-7.72373915	Pocket8
MOL_93	-6.76	Pocket4	-7.97245312	Pocket11
MOL_25	-6.72	Pocket3	-8.0506134	Pocket7
MOL_24	-6.7	Pocket4	-8.2188549	Pocket1
MOL_66	-6.7	Pocket4	-7.11986113	Pocket11
MOL_79	-6.69	Pocket7	-7.49347258	Pocket8
MOL_72	-6.68	Pocket4	-7.92275095	Pocket6
MOL_63	-6.67	Pocket7	-7.69508791	Pocket8
MOL_88	-6.66	Pocket4	-7.38816547	Pocket8
MOL_98	-6.5	Pocket19	-8.17883778	Pocket11
MOL_33	-6.24	Pocket19	-7.69925308	Pocket7

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