Code of the selected molecules	$Δ G_{bind}$	$Δ G_{coulomb}$	$Δ G_{covcovalent}$	$Δ G_{H-bond}$	$Δ G_{lipo}$	$Δ G_{packing}$	$Δ G_{solvGB}$	$Δ G_{vdW}$
Z1890693512	−64.031	−19.105	6.796	−1.668	−20.610	−0.506	22.710	−51.649
Z2121011596	−66.083	−29.670	5.501	−2.618	−27.380	−1.207	39.058	−49.767
Z1683225090	−80.346	−14.367	6.374	−1.072	−29.387	−0.626	26.056	−67.323
PV-000185178177	−61.825	−4.454	11.882	−2.264	−30.651	−0.131	21.515	−57.722
PV-002342843731	−74.626	15.358	13.702	−2.145	−34.099	−0.238	−17.971	−49.232
PV-000250468827	−48.110	−27.027	14.730	−1.578	−27.002	−0.028	34.147	−41.352
Z1684534882	−75.065	−17.252	10.419	−1.068	−28.439	−0.589	22.146	−60.282
PV-002558797812	−61.486	−21.019	7.806	−1.643	−17.900	−0.018	31.151	−59.863
PV-001434258746	−73.056	−24.383	4.362	−1.692	−25.925	−1.215	31.476	−55.680
PV-002089512142	−73.521	−29.286	5.833	−3.239	−26.168	−0.221	41.002	−61.442
PV-002569833477	−94.520	−19.812	8.545	−2.215	−35.537	−0.073	24.636	−70.064
PV-002215946839	−77.154	−27.443	16.497	−2.346	−35.972	−0.850	28.988	−56.027
PV-002201035475	−73.065	−17.419	5.453	−2.382	−31.058	−0.435	33.126	−60.351
PV-002109864487	−57.071	−2.532	17.349	−2.059	−27.254	−0.599	12.194	−54.171
PV-002273233325	−60.892	−22.389	21.837	−1.745	−34.165	−0.869	21.375	−44.935
PV-002427431755	−68.082	−22.639	13.202	−2.363	−25.698	−0.713	28.078	−57.949
Z1694049401	−58.115	−21.128	4.240	−2.852	−18.037	−0.769	34.983	−54.551
PV-001946374534	−74.393	−20.681	11.155	−2.037	−32.117	−1.932	29.550	−58.333
Z1683053210	−70.718	−13.407	11.306	−1.186	−28.349	−1.654	25.542	−62.969
Z2150792351	−70.989	−17.451	9.348	−2.162	−31.546	−0.506	32.147	−60.818
Reference molecule	−79.851	−20.755	2.834	−1.855	−21.190	−0.329	24.626	−63.185