Table 1. Properties of the top 20 candidates as ranked by VLS score.

Rank	Name	Formula	Mol Weight	Score	Mol LogP	Mol Volume	mfScore
1	glutaric acid	C5H8O4	132.04	−42.01	−0.05	121.52	−11.49
2	succinic acid	C4H6O4	118.03	−40.81	−0.53	103.62	−25.76
3	adipic acid	C6H10O4	146.06	−40.15	0.43	139.43	−20.05
4	malonic acid	C3H4O4	104.01	−36.55	−0.96	85.29	−18.27
5	heptanedioic acid	C7H12O4	160.07	−35.61	0.92	157.34	−4.98
6	9-methoxy-9-oxo-nonanoic acid	C10H18O4	202.12	−32.99	2.23	216.15	−76.98
7	8-methoxy-8-oxo-octanoic acid	C9H16O4	188.10	−30.20	1.75	198.25	−98.29
8	oxalic acid	C2H2O4	90.00	−29.72	−0.54	67.91	−30.76
9	undec-2-enal	C11H20O	168.15	−28.66	4.35	215.74	−103.73
10	undecanedioic acid	C11H20O4	216.14	−27.67	2.84	228.96	−104.30
11	nonanedioic acid	C9H16O4	188.10	−27.50	1.88	193.15	−97.71
12	nonanedioyl chloride	C9H14Cl2O2	224.04	−26.89	3.41	215.39	−84.05
13	dodecanedioic acid	C12H22O4	230.15	−26.78	3.33	246.87	−105.11
14	octanedioyl chloride	C8H12Cl2O2	210.02	−26.75	2.93	197.48	−88.72
15	4-(7,9-dioxa-bicyclo[4.3.0]nona-1,3,5-trien-3-yl)-butan-2-one	C11H12O3	192.08	−26.00	2.44	198.90	−89.87
16	octanedioic acid	C8H14O4	174.09	−25.29	1.40	175.24	−10.78
17	alpha-hexyl cinnamaldehyde	C15H22O	216.15	−25.24	4.98	255.25	−53.42
18	3-(4-(2-carboxy-ethyl)-phenyl)-propanoic acid	C12H14O4	222.09	−24.98	1.81	214.27	−102.90
19	1,4-diethyl butanedioate	C8H14O4	174.09	−24.57	1.12	183.64	−41.03
20	butyric acid	C4H8O2	88.05	−24.49	0.87	91.05	−5.17

Compounds 6, 7, 9, 10, 11, 12, 14, 16, 17 and 18, confirmed as agonists in in vitro assay, are presented in bold. Compound 12, dodecanedioic acid, confirmed as antagonist, is presented in italics.